USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=23 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 19 HIS : no HD1:sc= -2.92! C(o=-3.1!,f=-7.2!) USER MOD Set 1.2: A 96 THR OG1 : rot -80:sc= -0.136 USER MOD Set 2.1: A 49 GLN : amide:sc=-0.00376 K(o=-0.0038,f=-0.91) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -2.25! C(o=-3.9!,f=-9.9!) USER MOD Set 3.2: A 93 MET CE :methyl -109:sc= -1.66 (180deg=-4.01!) 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 35:sc= 0.177 USER MOD Single : A 30 HIS :FLIP no HE2:sc= 0.297 F(o=-1,f=0.3) USER MOD Single : A 31 SER OG : rot -40:sc= 0.551 USER MOD Single : A 48 TYR OH : rot 102:sc= -0.199 USER MOD Single : A 95 GLN : amide:sc= -0.406 K(o=-0.41,f=-2!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) 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 :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 115 ASN : amide:sc= 0.593 K(o=0.59,f=-2.7!) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0208) USER MOD Single : A 117 MET CE :methyl -108:sc= -1.54 (180deg=-6.7!) USER MOD Single : A 123 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.4!) USER MOD Single : A 128 MET CE :methyl -150:sc= -1.66 (180deg=-3.15!) USER MOD Single : A 129 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.014) USER MOD Single : A 132 MET CE :methyl 163:sc= -2.57! (180deg=-5.14!) USER MOD Single : A 134 TYR OH : rot 150:sc= 0 USER MOD Single : A 135 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 145 THR OG1 : rot -60:sc= -2.56! USER MOD Single : A 148 CYS SG : rot 130:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ -165:sc= -0.025 (180deg=-0.251) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 145:sc= 0.136 USER MOD Single : A 155 LYS NZ :NH3+ 153:sc= -1.89! (180deg=-4.07!) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 164 MET CE :methyl -160:sc= -3.65! (180deg=-5.08!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.487 3.259 -5.442 1.00 0.67 N ATOM 156 CA VAL A 11 -12.220 2.933 -4.852 1.00 0.60 C ATOM 157 C VAL A 11 -12.396 1.970 -3.675 1.00 0.56 C ATOM 158 O VAL A 11 -12.836 2.360 -2.593 1.00 0.74 O ATOM 159 CB VAL A 11 -11.525 4.228 -4.398 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.182 3.927 -3.797 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.386 5.198 -5.567 1.00 0.98 C ATOM 0 HA VAL A 11 -11.599 2.432 -5.595 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.142 4.698 -3.633 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -9.707 4.857 -3.483 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.308 3.274 -2.934 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.554 3.432 -4.538 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -10.892 6.109 -5.228 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -10.792 4.735 -6.355 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.374 5.444 -5.955 1.00 0.98 H new ATOM 171 N THR A 12 -12.070 0.707 -3.915 1.00 0.46 N ATOM 172 CA THR A 12 -12.172 -0.335 -2.899 1.00 0.45 C ATOM 173 C THR A 12 -10.905 -0.388 -2.049 1.00 0.39 C ATOM 174 O THR A 12 -9.798 -0.469 -2.583 1.00 0.43 O ATOM 175 CB THR A 12 -12.427 -1.704 -3.566 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.705 -1.682 -4.213 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.383 -2.842 -2.557 1.00 0.62 C ATOM 0 H THR A 12 -11.728 0.375 -4.817 1.00 0.46 H new ATOM 0 HA THR A 12 -13.012 -0.098 -2.246 1.00 0.45 H new ATOM 0 HB THR A 12 -11.636 -1.879 -4.295 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.871 -2.549 -4.640 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.567 -3.788 -3.067 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.402 -2.870 -2.083 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.148 -2.684 -1.797 1.00 0.62 H new ATOM 185 N ILE A 13 -11.071 -0.342 -0.732 1.00 0.39 N ATOM 186 CA ILE A 13 -9.934 -0.261 0.181 1.00 0.38 C ATOM 187 C ILE A 13 -9.458 -1.643 0.605 1.00 0.37 C ATOM 188 O ILE A 13 -10.219 -2.427 1.173 1.00 0.51 O ATOM 189 CB ILE A 13 -10.281 0.536 1.451 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.878 1.894 1.083 1.00 0.86 C ATOM 191 CG2 ILE A 13 -9.042 0.716 2.318 1.00 0.80 C ATOM 192 CD1 ILE A 13 -11.180 2.757 2.281 1.00 1.03 C ATOM 0 H ILE A 13 -11.981 -0.359 -0.272 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.142 0.249 -0.367 1.00 0.38 H new ATOM 0 HB ILE A 13 -11.024 -0.024 2.020 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -10.185 2.423 0.429 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.796 1.738 0.516 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -9.303 1.281 3.213 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.655 -0.261 2.607 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -8.280 1.257 1.756 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -11.601 3.706 1.949 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.897 2.247 2.925 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -10.261 2.943 2.837 1.00 1.03 H new ATOM 204 N MET A 14 -8.191 -1.924 0.354 1.00 0.31 N ATOM 205 CA MET A 14 -7.600 -3.204 0.739 1.00 0.35 C ATOM 206 C MET A 14 -6.208 -2.998 1.320 1.00 0.29 C ATOM 207 O MET A 14 -5.678 -1.891 1.310 1.00 0.46 O ATOM 208 CB MET A 14 -7.517 -4.171 -0.451 1.00 0.56 C ATOM 209 CG MET A 14 -8.862 -4.696 -0.938 1.00 0.75 C ATOM 210 SD MET A 14 -8.695 -5.868 -2.307 1.00 1.04 S ATOM 211 CE MET A 14 -10.369 -6.499 -2.440 1.00 0.77 C ATOM 0 H MET A 14 -7.548 -1.286 -0.115 1.00 0.31 H new ATOM 0 HA MET A 14 -8.250 -3.643 1.496 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.018 -3.666 -1.278 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.891 -5.018 -0.171 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.380 -5.181 -0.111 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.482 -3.858 -1.255 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.418 -7.233 -3.244 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.656 -6.971 -1.500 1.00 0.77 H new ATOM 0 HE3 MET A 14 -11.052 -5.677 -2.656 1.00 0.77 H new ATOM 221 N GLY A 15 -5.641 -4.064 1.857 1.00 0.34 N ATOM 222 CA GLY A 15 -4.292 -4.038 2.354 1.00 0.45 C ATOM 223 C GLY A 15 -4.141 -5.016 3.489 1.00 0.62 C ATOM 224 O GLY A 15 -4.126 -6.224 3.285 1.00 1.55 O ATOM 0 H GLY A 15 -6.108 -4.965 1.957 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.596 -4.288 1.553 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.040 -3.033 2.693 1.00 0.45 H new ATOM 228 N HIS A 16 -4.090 -4.481 4.684 1.00 0.51 N ATOM 229 CA HIS A 16 -3.999 -5.269 5.901 1.00 0.45 C ATOM 230 C HIS A 16 -4.281 -4.375 7.109 1.00 0.49 C ATOM 231 O HIS A 16 -4.161 -3.153 7.013 1.00 0.64 O ATOM 232 CB HIS A 16 -2.614 -5.928 6.005 1.00 0.43 C ATOM 233 CG HIS A 16 -2.330 -6.562 7.334 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.020 -7.668 7.761 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.457 -6.190 8.300 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.562 -7.938 8.970 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.613 -7.069 9.341 1.00 0.59 N ATOM 0 H HIS A 16 -4.110 -3.474 4.847 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.744 -6.065 5.878 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.526 -6.687 5.228 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.851 -5.176 5.804 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.769 -5.359 8.259 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.909 -8.757 9.583 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.105 -7.062 10.226 1.00 0.59 H new ATOM 245 N VAL A 17 -4.666 -4.977 8.228 1.00 0.53 N ATOM 246 CA VAL A 17 -5.048 -4.225 9.421 1.00 0.67 C ATOM 247 C VAL A 17 -3.914 -3.319 9.907 1.00 0.64 C ATOM 248 O VAL A 17 -4.066 -2.095 9.948 1.00 0.78 O ATOM 249 CB VAL A 17 -5.462 -5.171 10.566 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.009 -4.383 11.746 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.481 -6.189 10.077 1.00 1.62 C ATOM 0 H VAL A 17 -4.723 -5.990 8.336 1.00 0.53 H new ATOM 0 HA VAL A 17 -5.898 -3.604 9.139 1.00 0.67 H new ATOM 0 HB VAL A 17 -4.576 -5.710 10.902 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.295 -5.071 12.542 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.243 -3.700 12.114 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -6.882 -3.812 11.429 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.761 -6.848 10.899 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.367 -5.670 9.710 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -6.047 -6.780 9.271 1.00 1.62 H new ATOM 261 N ASP A 18 -2.776 -3.929 10.236 1.00 0.57 N ATOM 262 CA ASP A 18 -1.636 -3.213 10.823 1.00 0.61 C ATOM 263 C ASP A 18 -1.078 -2.150 9.885 1.00 0.56 C ATOM 264 O ASP A 18 -0.416 -1.213 10.329 1.00 0.69 O ATOM 265 CB ASP A 18 -0.517 -4.188 11.190 1.00 0.69 C ATOM 266 CG ASP A 18 -0.936 -5.189 12.239 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.493 -6.239 11.870 1.00 1.78 O ATOM 268 OD2 ASP A 18 -0.717 -4.927 13.442 1.00 1.17 O ATOM 0 H ASP A 18 -2.615 -4.928 10.105 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.008 -2.718 11.720 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.196 -4.720 10.294 1.00 0.69 H new ATOM 0 HB3 ASP A 18 0.344 -3.626 11.553 1.00 0.69 H new ATOM 273 N HIS A 19 -1.336 -2.297 8.593 1.00 0.46 N ATOM 274 CA HIS A 19 -0.869 -1.332 7.613 1.00 0.48 C ATOM 275 C HIS A 19 -1.644 -0.023 7.738 1.00 0.58 C ATOM 276 O HIS A 19 -1.204 1.023 7.264 1.00 0.65 O ATOM 277 CB HIS A 19 -0.985 -1.909 6.203 1.00 0.46 C ATOM 278 CG HIS A 19 0.030 -2.974 5.905 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.111 -3.821 4.834 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.195 -3.260 6.541 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.962 -4.592 4.838 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.780 -4.291 5.852 1.00 0.48 N ATOM 0 H HIS A 19 -1.866 -3.075 8.201 1.00 0.46 H new ATOM 0 HA HIS A 19 0.182 -1.118 7.806 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.984 -2.324 6.070 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.876 -1.102 5.479 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.586 -2.770 7.420 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.154 -5.369 4.113 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.668 -4.742 6.071 1.00 0.48 H new ATOM 290 N GLY A 20 -2.797 -0.093 8.393 1.00 0.76 N ATOM 291 CA GLY A 20 -3.551 1.102 8.700 1.00 0.90 C ATOM 292 C GLY A 20 -4.645 1.400 7.700 1.00 0.81 C ATOM 293 O GLY A 20 -4.872 2.557 7.358 1.00 0.93 O ATOM 0 H GLY A 20 -3.222 -0.962 8.717 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.994 0.998 9.690 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.869 1.951 8.744 1.00 0.90 H new ATOM 297 N LYS A 21 -5.352 0.374 7.242 1.00 0.79 N ATOM 298 CA LYS A 21 -6.428 0.591 6.282 1.00 0.87 C ATOM 299 C LYS A 21 -7.671 1.143 6.971 1.00 0.89 C ATOM 300 O LYS A 21 -8.470 1.848 6.360 1.00 0.93 O ATOM 301 CB LYS A 21 -6.759 -0.692 5.505 1.00 1.09 C ATOM 302 CG LYS A 21 -7.213 -1.876 6.358 1.00 1.20 C ATOM 303 CD LYS A 21 -8.715 -1.858 6.631 1.00 1.39 C ATOM 304 CE LYS A 21 -9.526 -1.898 5.341 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.992 -1.894 5.596 1.00 2.11 N ATOM 0 H LYS A 21 -5.205 -0.598 7.513 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.079 1.332 5.562 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.542 -0.466 4.781 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.877 -0.991 4.938 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.950 -2.805 5.853 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -6.675 -1.865 7.306 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.981 -2.712 7.254 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.971 -0.960 7.194 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.264 -1.039 4.723 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.260 -2.791 4.775 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.502 -1.922 4.690 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.248 -2.727 6.163 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.252 -1.030 6.113 1.00 2.11 H new ATOM 319 N THR A 22 -7.824 0.825 8.246 1.00 0.92 N ATOM 320 CA THR A 22 -8.967 1.295 9.006 1.00 1.00 C ATOM 321 C THR A 22 -8.723 2.719 9.494 1.00 0.99 C ATOM 322 O THR A 22 -9.652 3.520 9.606 1.00 1.03 O ATOM 323 CB THR A 22 -9.275 0.358 10.197 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.387 0.850 10.955 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.061 0.201 11.104 1.00 1.65 C ATOM 0 H THR A 22 -7.172 0.245 8.774 1.00 0.92 H new ATOM 0 HA THR A 22 -9.836 1.290 8.348 1.00 1.00 H new ATOM 0 HB THR A 22 -9.529 -0.620 9.788 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.567 0.243 11.703 1.00 1.80 H new ATOM 0 HG21 THR A 22 -8.309 -0.463 11.932 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.234 -0.222 10.534 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.771 1.176 11.496 1.00 1.65 H new ATOM 333 N THR A 23 -7.461 3.042 9.745 1.00 0.99 N ATOM 334 CA THR A 23 -7.083 4.386 10.126 1.00 1.02 C ATOM 335 C THR A 23 -6.972 5.272 8.894 1.00 0.96 C ATOM 336 O THR A 23 -6.980 6.495 8.999 1.00 0.96 O ATOM 337 CB THR A 23 -5.757 4.389 10.904 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.859 3.430 10.333 1.00 1.77 O ATOM 339 CG2 THR A 23 -5.990 4.064 12.372 1.00 1.41 C ATOM 0 H THR A 23 -6.683 2.385 9.690 1.00 0.99 H new ATOM 0 HA THR A 23 -7.860 4.783 10.779 1.00 1.02 H new ATOM 0 HB THR A 23 -5.319 5.385 10.836 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.984 3.403 9.361 1.00 1.77 H new ATOM 0 HG21 THR A 23 -5.038 4.072 12.902 1.00 1.41 H new ATOM 0 HG22 THR A 23 -6.655 4.810 12.809 1.00 1.41 H new ATOM 0 HG23 THR A 23 -6.445 3.077 12.458 1.00 1.41 H new ATOM 347 N LEU A 24 -6.878 4.643 7.722 1.00 0.96 N ATOM 348 CA LEU A 24 -6.878 5.373 6.464 1.00 0.96 C ATOM 349 C LEU A 24 -8.234 6.044 6.285 1.00 0.89 C ATOM 350 O LEU A 24 -8.313 7.249 6.065 1.00 0.91 O ATOM 351 CB LEU A 24 -6.585 4.412 5.298 1.00 1.06 C ATOM 352 CG LEU A 24 -5.997 5.040 4.022 1.00 0.88 C ATOM 353 CD1 LEU A 24 -6.999 5.955 3.332 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.718 5.799 4.346 1.00 1.57 C ATOM 0 H LEU A 24 -6.801 3.631 7.623 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.100 6.136 6.475 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.894 3.647 5.652 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.513 3.905 5.032 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.763 4.229 3.332 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -6.547 6.379 2.435 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.884 5.382 3.056 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.284 6.759 4.010 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.314 6.237 3.433 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.936 6.590 5.063 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -3.987 5.113 4.774 1.00 1.57 H new ATOM 366 N LEU A 25 -9.293 5.253 6.425 1.00 0.88 N ATOM 367 CA LEU A 25 -10.661 5.753 6.300 1.00 0.91 C ATOM 368 C LEU A 25 -10.943 6.800 7.380 1.00 0.89 C ATOM 369 O LEU A 25 -11.615 7.794 7.136 1.00 0.92 O ATOM 370 CB LEU A 25 -11.640 4.582 6.434 1.00 1.02 C ATOM 371 CG LEU A 25 -12.969 4.738 5.684 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.724 3.416 5.651 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.837 5.816 6.317 1.00 1.96 C ATOM 0 H LEU A 25 -9.230 4.255 6.627 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.786 6.222 5.324 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.147 3.677 6.078 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.856 4.432 7.492 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.738 5.040 4.663 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.664 3.547 5.115 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.119 2.664 5.144 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.930 3.089 6.670 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.772 5.903 5.763 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -14.052 5.549 7.352 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.310 6.770 6.290 1.00 1.96 H new ATOM 385 N ASP A 26 -10.428 6.567 8.577 1.00 0.91 N ATOM 386 CA ASP A 26 -10.622 7.507 9.681 1.00 0.96 C ATOM 387 C ASP A 26 -9.863 8.813 9.441 1.00 0.92 C ATOM 388 O ASP A 26 -10.419 9.900 9.598 1.00 0.95 O ATOM 389 CB ASP A 26 -10.188 6.887 10.995 1.00 1.05 C ATOM 390 CG ASP A 26 -10.458 7.790 12.184 1.00 1.21 C ATOM 391 OD1 ASP A 26 -11.584 7.757 12.722 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.538 8.538 12.585 1.00 1.38 O ATOM 0 H ASP A 26 -9.876 5.743 8.813 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.686 7.737 9.733 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.711 5.941 11.136 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.123 6.659 10.951 1.00 1.05 H new ATOM 397 N ALA A 27 -8.600 8.707 9.041 1.00 0.89 N ATOM 398 CA ALA A 27 -7.784 9.882 8.750 1.00 0.89 C ATOM 399 C ALA A 27 -8.342 10.645 7.558 1.00 0.85 C ATOM 400 O ALA A 27 -8.405 11.873 7.567 1.00 0.90 O ATOM 401 CB ALA A 27 -6.345 9.481 8.476 1.00 0.91 C ATOM 0 H ALA A 27 -8.118 7.818 8.911 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.809 10.531 9.625 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.754 10.371 8.261 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.935 8.975 9.350 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.312 8.808 7.619 1.00 0.91 H new ATOM 407 N ILE A 28 -8.751 9.900 6.545 1.00 0.82 N ATOM 408 CA ILE A 28 -9.342 10.463 5.341 1.00 0.83 C ATOM 409 C ILE A 28 -10.693 11.105 5.682 1.00 0.88 C ATOM 410 O ILE A 28 -11.123 12.072 5.053 1.00 0.94 O ATOM 411 CB ILE A 28 -9.501 9.350 4.275 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.375 9.884 2.855 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.826 8.628 4.422 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.295 8.763 1.843 1.00 0.95 C ATOM 0 H ILE A 28 -8.682 8.882 6.534 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.692 11.237 4.933 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.686 8.648 4.450 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.231 10.520 2.628 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.485 10.508 2.778 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.905 7.854 3.659 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.884 8.171 5.410 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.643 9.339 4.303 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.206 9.183 0.841 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.424 8.143 2.055 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.197 8.154 1.902 1.00 0.95 H new ATOM 426 N ARG A 29 -11.340 10.564 6.709 1.00 0.93 N ATOM 427 CA ARG A 29 -12.585 11.109 7.224 1.00 1.04 C ATOM 428 C ARG A 29 -12.324 12.448 7.905 1.00 1.08 C ATOM 429 O ARG A 29 -13.144 13.360 7.849 1.00 1.17 O ATOM 430 CB ARG A 29 -13.216 10.110 8.203 1.00 1.16 C ATOM 431 CG ARG A 29 -14.404 10.643 8.985 1.00 1.33 C ATOM 432 CD ARG A 29 -15.554 11.036 8.071 1.00 1.58 C ATOM 433 NE ARG A 29 -16.653 11.645 8.816 1.00 2.13 N ATOM 434 CZ ARG A 29 -17.169 12.844 8.543 1.00 2.85 C ATOM 435 NH1 ARG A 29 -16.703 13.571 7.533 1.00 3.29 N ATOM 436 NH2 ARG A 29 -18.155 13.322 9.290 1.00 3.56 N ATOM 0 H ARG A 29 -11.014 9.735 7.206 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.280 11.276 6.401 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.533 9.228 7.646 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -12.452 9.784 8.909 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.744 9.885 9.691 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -14.094 11.508 9.571 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.196 11.735 7.315 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.917 10.154 7.543 1.00 1.58 H new ATOM 0 HE ARG A 29 -17.051 11.120 9.595 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.942 13.213 6.956 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -17.107 14.487 7.335 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -18.516 12.773 10.070 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -18.552 14.239 9.084 1.00 3.56 H new ATOM 450 N HIS A 30 -11.155 12.567 8.518 1.00 1.05 N ATOM 451 CA HIS A 30 -10.750 13.801 9.177 1.00 1.13 C ATOM 452 C HIS A 30 -10.151 14.791 8.183 1.00 1.15 C ATOM 453 O HIS A 30 -9.512 15.767 8.568 1.00 1.32 O ATOM 454 CB HIS A 30 -9.750 13.511 10.283 1.00 1.23 C ATOM 455 CG HIS A 30 -10.361 13.049 11.552 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.936 11.889 11.831 1.00 2.44 N flip ATOM 457 CD2 HIS A 30 -10.404 13.795 12.710 1.00 2.01 C flip ATOM 458 CE1 HIS A 30 -11.324 11.916 13.145 1.00 2.88 C flip ATOM 459 NE2 HIS A 30 -10.989 13.084 13.656 1.00 2.60 N flip ATOM 0 H HIS A 30 -10.465 11.818 8.573 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.643 14.251 9.611 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.049 12.753 9.934 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.171 14.414 10.479 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -11.067 11.113 11.182 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -10.021 14.798 12.825 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -11.821 11.115 13.673 1.00 2.88 H new ATOM 468 N SER A 31 -10.357 14.536 6.899 1.00 1.07 N ATOM 469 CA SER A 31 -9.806 15.386 5.859 1.00 1.19 C ATOM 470 C SER A 31 -10.872 16.341 5.316 1.00 1.32 C ATOM 471 O SER A 31 -10.683 16.950 4.262 1.00 1.76 O ATOM 472 CB SER A 31 -9.226 14.525 4.729 1.00 1.15 C ATOM 473 OG SER A 31 -8.496 15.308 3.804 1.00 1.50 O ATOM 0 H SER A 31 -10.903 13.746 6.554 1.00 1.07 H new ATOM 0 HA SER A 31 -9.004 15.986 6.289 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.576 13.758 5.151 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.035 14.008 4.212 1.00 1.15 H new ATOM 0 HG SER A 31 -8.963 16.156 3.654 1.00 1.50 H new ATOM 706 N TYR A 48 -18.049 5.934 2.123 1.00 1.05 N ATOM 707 CA TYR A 48 -17.960 7.379 2.105 1.00 1.04 C ATOM 708 C TYR A 48 -17.561 7.873 0.723 1.00 0.91 C ATOM 709 O TYR A 48 -16.918 7.157 -0.047 1.00 0.86 O ATOM 710 CB TYR A 48 -16.958 7.867 3.155 1.00 1.16 C ATOM 711 CG TYR A 48 -15.555 7.360 2.938 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.264 6.010 3.041 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.521 8.233 2.638 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.982 5.541 2.846 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.236 7.775 2.442 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.972 6.428 2.531 1.00 1.96 C ATOM 717 OH TYR A 48 -11.690 5.962 2.354 1.00 2.54 O ATOM 0 HA TYR A 48 -18.942 7.786 2.347 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.945 8.957 3.153 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.299 7.554 4.142 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.054 5.313 3.278 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.726 9.290 2.556 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.769 4.486 2.939 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.440 8.470 2.220 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.489 5.912 1.396 1.00 2.54 H new ATOM 727 N GLN A 49 -17.961 9.091 0.407 1.00 1.01 N ATOM 728 CA GLN A 49 -17.602 9.716 -0.852 1.00 1.00 C ATOM 729 C GLN A 49 -16.724 10.926 -0.578 1.00 1.11 C ATOM 730 O GLN A 49 -16.863 11.573 0.464 1.00 1.34 O ATOM 731 CB GLN A 49 -18.859 10.130 -1.619 1.00 1.16 C ATOM 732 CG GLN A 49 -19.751 8.958 -1.992 1.00 1.18 C ATOM 733 CD GLN A 49 -21.068 9.398 -2.597 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.593 10.463 -2.269 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.616 8.579 -3.479 1.00 1.96 N ATOM 0 H GLN A 49 -18.541 9.672 1.012 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.051 9.003 -1.465 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.430 10.833 -1.013 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.565 10.657 -2.527 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.226 8.318 -2.701 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.946 8.357 -1.104 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.149 7.706 -3.723 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.506 8.820 -3.915 1.00 1.96 H new ATOM 744 N VAL A 50 -15.813 11.216 -1.492 1.00 1.04 N ATOM 745 CA VAL A 50 -14.911 12.341 -1.317 1.00 1.18 C ATOM 746 C VAL A 50 -15.253 13.459 -2.278 1.00 1.28 C ATOM 747 O VAL A 50 -15.709 13.232 -3.401 1.00 1.38 O ATOM 748 CB VAL A 50 -13.438 11.935 -1.503 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.498 13.130 -1.414 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.059 10.900 -0.470 1.00 1.59 C ATOM 0 H VAL A 50 -15.679 10.692 -2.357 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.040 12.691 -0.293 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.335 11.514 -2.503 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.470 12.795 -1.551 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -12.752 13.851 -2.191 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -12.599 13.600 -0.436 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.016 10.616 -0.606 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.195 11.316 0.528 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.693 10.021 -0.586 1.00 1.59 H new ATOM 860 N ILE A 57 -15.661 10.815 -6.694 1.00 1.14 N ATOM 861 CA ILE A 57 -14.983 9.588 -6.287 1.00 0.88 C ATOM 862 C ILE A 57 -15.711 8.956 -5.100 1.00 0.85 C ATOM 863 O ILE A 57 -15.999 9.630 -4.107 1.00 0.97 O ATOM 864 CB ILE A 57 -13.501 9.821 -5.888 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.728 10.545 -6.999 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.834 8.488 -5.577 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.264 10.791 -6.661 1.00 0.86 C ATOM 0 HA ILE A 57 -14.999 8.926 -7.153 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.486 10.454 -5.001 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.787 9.956 -7.914 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.211 11.501 -7.203 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.794 8.658 -5.298 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.357 8.003 -4.752 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.873 7.847 -6.458 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.781 11.306 -7.491 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.196 11.406 -5.763 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.766 9.837 -6.486 1.00 0.86 H new ATOM 879 N THR A 58 -16.016 7.671 -5.212 1.00 0.80 N ATOM 880 CA THR A 58 -16.658 6.936 -4.132 1.00 0.80 C ATOM 881 C THR A 58 -15.699 5.888 -3.567 1.00 0.73 C ATOM 882 O THR A 58 -14.994 5.220 -4.320 1.00 0.85 O ATOM 883 CB THR A 58 -17.947 6.247 -4.625 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.813 7.212 -5.238 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.686 5.566 -3.481 1.00 1.28 C ATOM 0 H THR A 58 -15.828 7.113 -6.045 1.00 0.80 H new ATOM 0 HA THR A 58 -16.922 7.646 -3.348 1.00 0.80 H new ATOM 0 HB THR A 58 -17.661 5.487 -5.352 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.629 6.768 -5.550 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.589 5.091 -3.863 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.042 4.811 -3.030 1.00 1.28 H new ATOM 0 HG23 THR A 58 -18.957 6.308 -2.730 1.00 1.28 H new ATOM 893 N PHE A 59 -15.658 5.758 -2.245 1.00 0.65 N ATOM 894 CA PHE A 59 -14.781 4.789 -1.596 1.00 0.64 C ATOM 895 C PHE A 59 -15.607 3.697 -0.928 1.00 0.73 C ATOM 896 O PHE A 59 -16.387 3.977 -0.014 1.00 0.83 O ATOM 897 CB PHE A 59 -13.894 5.474 -0.554 1.00 0.64 C ATOM 898 CG PHE A 59 -12.782 6.313 -1.125 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.070 7.448 -1.865 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.456 5.961 -0.939 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.057 8.217 -2.404 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.441 6.727 -1.476 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.716 7.862 -2.148 1.00 0.70 C ATOM 0 H PHE A 59 -16.223 6.312 -1.601 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.144 4.342 -2.359 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.520 6.106 0.076 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.460 4.710 0.091 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.099 7.735 -2.022 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.213 5.077 -0.367 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.289 9.078 -3.013 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.415 6.413 -1.356 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.913 8.498 -2.489 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.089 0.303 -9.057 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.981 0.858 -8.296 1.00 0.55 C ATOM 1223 C ILE A 81 -9.743 0.078 -7.008 1.00 0.47 C ATOM 1224 O ILE A 81 -10.582 0.083 -6.108 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.232 2.345 -7.955 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.233 3.192 -9.228 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.183 2.860 -6.981 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.887 3.229 -9.918 1.00 0.73 C ATOM 0 HA ILE A 81 -9.093 0.779 -8.923 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.210 2.425 -7.481 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -10.978 2.798 -9.919 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.535 4.209 -8.980 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.379 3.908 -6.755 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.223 2.277 -6.061 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.193 2.764 -7.428 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -8.954 3.846 -10.814 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.143 3.651 -9.242 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.593 2.217 -10.196 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.607 -0.605 -6.925 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.222 -1.282 -5.707 1.00 0.30 C ATOM 1242 C VAL A 82 -7.066 -0.561 -5.039 1.00 0.25 C ATOM 1243 O VAL A 82 -5.943 -0.594 -5.539 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.789 -2.729 -5.984 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -7.276 -3.370 -4.711 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.943 -3.532 -6.566 1.00 1.19 C ATOM 0 H VAL A 82 -7.941 -0.701 -7.691 1.00 0.32 H new ATOM 0 HA VAL A 82 -9.094 -1.283 -5.053 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.983 -2.719 -6.717 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.971 -4.396 -4.917 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.421 -2.806 -4.338 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -8.066 -3.370 -3.960 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.616 -4.554 -6.755 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.773 -3.541 -5.859 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -9.268 -3.076 -7.501 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.324 0.091 -3.921 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.234 0.656 -3.149 1.00 0.25 C ATOM 1258 C ILE A 83 -5.699 -0.371 -2.193 1.00 0.27 C ATOM 1259 O ILE A 83 -6.381 -0.782 -1.260 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.611 1.897 -2.308 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.108 1.962 -2.026 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.123 3.178 -2.962 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.482 3.053 -1.044 1.00 1.32 C ATOM 0 H ILE A 83 -8.256 0.240 -3.534 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.501 0.967 -3.893 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.105 1.796 -1.348 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.641 2.126 -2.962 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.440 1.000 -1.635 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.404 4.032 -2.345 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.038 3.145 -3.062 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -6.576 3.278 -3.948 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.560 3.046 -0.886 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -7.975 2.878 -0.095 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -8.180 4.021 -1.443 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.485 -0.778 -2.429 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.823 -1.707 -1.542 1.00 0.27 C ATOM 1277 C LEU A 84 -2.906 -0.957 -0.580 1.00 0.27 C ATOM 1278 O LEU A 84 -1.900 -0.384 -0.993 1.00 0.31 O ATOM 1279 CB LEU A 84 -3.003 -2.700 -2.339 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.350 -3.777 -1.508 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.350 -4.879 -1.227 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -1.124 -4.290 -2.224 1.00 1.33 C ATOM 0 H LEU A 84 -3.927 -0.483 -3.230 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.585 -2.240 -0.974 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.647 -3.171 -3.082 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.229 -2.159 -2.884 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.029 -3.373 -0.548 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.876 -5.656 -0.627 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -4.201 -4.468 -0.683 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.694 -5.307 -2.169 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.651 -5.068 -1.625 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -1.413 -4.702 -3.191 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.421 -3.471 -2.374 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.248 -0.948 0.692 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.441 -0.249 1.675 1.00 0.28 C ATOM 1296 C VAL A 85 -1.283 -1.124 2.157 1.00 0.27 C ATOM 1297 O VAL A 85 -1.413 -2.343 2.285 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.285 0.217 2.887 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.656 -0.946 3.790 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.556 1.304 3.668 1.00 1.20 C ATOM 0 H VAL A 85 -4.074 -1.413 1.069 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.037 0.635 1.181 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.213 0.638 2.500 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.248 -0.581 4.629 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.238 -1.674 3.225 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.749 -1.420 4.165 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.168 1.616 4.515 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.605 0.915 4.031 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.374 2.159 3.017 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.149 -0.486 2.387 1.00 0.25 N ATOM 1311 CA VAL A 86 1.010 -1.126 2.983 1.00 0.27 C ATOM 1312 C VAL A 86 1.573 -0.195 4.039 1.00 0.24 C ATOM 1313 O VAL A 86 1.029 0.883 4.258 1.00 0.26 O ATOM 1314 CB VAL A 86 2.106 -1.465 1.945 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.615 -2.517 0.967 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.555 -0.223 1.196 1.00 0.95 C ATOM 0 H VAL A 86 -0.006 0.499 2.163 1.00 0.25 H new ATOM 0 HA VAL A 86 0.691 -2.073 3.419 1.00 0.27 H new ATOM 0 HB VAL A 86 2.962 -1.865 2.488 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.402 -2.740 0.247 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.353 -3.425 1.510 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.737 -2.143 0.441 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.325 -0.492 0.474 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.704 0.214 0.673 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.958 0.502 1.903 1.00 0.95 H new ATOM 1326 N ALA A 87 2.645 -0.580 4.701 1.00 0.28 N ATOM 1327 CA ALA A 87 3.180 0.271 5.751 1.00 0.32 C ATOM 1328 C ALA A 87 4.677 0.116 5.941 1.00 0.46 C ATOM 1329 O ALA A 87 5.201 -1.000 5.999 1.00 0.75 O ATOM 1330 CB ALA A 87 2.458 0.008 7.061 1.00 0.42 C ATOM 0 H ALA A 87 3.153 -1.450 4.540 1.00 0.28 H new ATOM 0 HA ALA A 87 3.009 1.300 5.434 1.00 0.32 H new ATOM 0 HB1 ALA A 87 2.869 0.652 7.839 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.395 0.218 6.939 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.591 -1.035 7.347 1.00 0.42 H new ATOM 1336 N ALA A 88 5.343 1.266 6.024 1.00 0.37 N ATOM 1337 CA ALA A 88 6.748 1.354 6.419 1.00 0.59 C ATOM 1338 C ALA A 88 7.650 0.391 5.646 1.00 0.53 C ATOM 1339 O ALA A 88 7.803 0.508 4.429 1.00 1.14 O ATOM 1340 CB ALA A 88 6.875 1.126 7.918 1.00 1.18 C ATOM 0 H ALA A 88 4.919 2.171 5.817 1.00 0.37 H new ATOM 0 HA ALA A 88 7.092 2.358 6.169 1.00 0.59 H new ATOM 0 HB1 ALA A 88 7.923 1.192 8.209 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.302 1.885 8.451 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.491 0.138 8.170 1.00 1.18 H new ATOM 1346 N ASP A 89 8.242 -0.559 6.359 1.00 0.56 N ATOM 1347 CA ASP A 89 9.142 -1.528 5.754 1.00 0.93 C ATOM 1348 C ASP A 89 8.559 -2.927 5.861 1.00 0.85 C ATOM 1349 O ASP A 89 9.228 -3.913 5.551 1.00 1.24 O ATOM 1350 CB ASP A 89 10.525 -1.481 6.417 1.00 1.44 C ATOM 1351 CG ASP A 89 10.524 -1.980 7.852 1.00 1.68 C ATOM 1352 OD1 ASP A 89 9.644 -1.554 8.630 1.00 1.90 O ATOM 1353 OD2 ASP A 89 11.389 -2.810 8.208 1.00 2.01 O ATOM 0 H ASP A 89 8.113 -0.678 7.364 1.00 0.56 H new ATOM 0 HA ASP A 89 9.258 -1.271 4.701 1.00 0.93 H new ATOM 0 HB2 ASP A 89 11.221 -2.082 5.832 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.895 -0.456 6.397 1.00 1.44 H new ATOM 1358 N ASP A 90 7.303 -3.003 6.293 1.00 0.48 N ATOM 1359 CA ASP A 90 6.609 -4.281 6.408 1.00 0.46 C ATOM 1360 C ASP A 90 6.457 -4.898 5.031 1.00 0.45 C ATOM 1361 O ASP A 90 6.583 -6.109 4.846 1.00 0.69 O ATOM 1362 CB ASP A 90 5.220 -4.101 7.029 1.00 0.52 C ATOM 1363 CG ASP A 90 4.580 -5.417 7.411 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.810 -5.874 8.546 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.868 -6.007 6.571 1.00 1.09 O ATOM 0 H ASP A 90 6.746 -2.194 6.569 1.00 0.48 H new ATOM 0 HA ASP A 90 7.198 -4.932 7.053 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.301 -3.470 7.914 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.575 -3.579 6.323 1.00 0.52 H new ATOM 1370 N GLY A 91 6.210 -4.035 4.058 1.00 0.36 N ATOM 1371 CA GLY A 91 5.998 -4.481 2.708 1.00 0.36 C ATOM 1372 C GLY A 91 4.590 -4.976 2.508 1.00 0.35 C ATOM 1373 O GLY A 91 3.646 -4.195 2.536 1.00 0.52 O ATOM 0 H GLY A 91 6.153 -3.025 4.187 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.199 -3.662 2.017 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.703 -5.278 2.472 1.00 0.36 H new ATOM 1377 N VAL A 92 4.449 -6.273 2.341 1.00 0.38 N ATOM 1378 CA VAL A 92 3.180 -6.875 2.039 1.00 0.37 C ATOM 1379 C VAL A 92 2.880 -8.020 3.009 1.00 0.36 C ATOM 1380 O VAL A 92 3.556 -9.049 2.994 1.00 0.47 O ATOM 1381 CB VAL A 92 3.208 -7.384 0.586 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.038 -8.282 0.312 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.223 -6.222 -0.393 1.00 1.06 C ATOM 0 H VAL A 92 5.219 -6.938 2.412 1.00 0.38 H new ATOM 0 HA VAL A 92 2.388 -6.134 2.151 1.00 0.37 H new ATOM 0 HB VAL A 92 4.123 -7.961 0.451 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.080 -8.629 -0.720 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.072 -9.139 0.984 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.111 -7.731 0.473 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.243 -6.606 -1.413 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.329 -5.615 -0.251 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.108 -5.610 -0.218 1.00 1.06 H new ATOM 1393 N MET A 93 1.890 -7.815 3.876 1.00 0.29 N ATOM 1394 CA MET A 93 1.415 -8.862 4.779 1.00 0.31 C ATOM 1395 C MET A 93 0.585 -9.886 4.008 1.00 0.31 C ATOM 1396 O MET A 93 0.288 -9.672 2.832 1.00 0.31 O ATOM 1397 CB MET A 93 0.564 -8.250 5.900 1.00 0.36 C ATOM 1398 CG MET A 93 1.376 -7.574 6.988 1.00 0.67 C ATOM 1399 SD MET A 93 2.199 -8.747 8.087 1.00 1.32 S ATOM 1400 CE MET A 93 0.792 -9.482 8.919 1.00 0.65 C ATOM 0 H MET A 93 1.398 -6.927 3.972 1.00 0.29 H new ATOM 0 HA MET A 93 2.280 -9.359 5.218 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.122 -7.522 5.466 1.00 0.36 H new ATOM 0 HB3 MET A 93 -0.046 -9.034 6.349 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.125 -6.930 6.527 1.00 0.67 H new ATOM 0 HG3 MET A 93 0.721 -6.932 7.576 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.764 -9.144 9.955 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.126 -9.182 8.414 1.00 0.65 H new ATOM 0 HE3 MET A 93 0.881 -10.568 8.895 1.00 0.65 H new ATOM 1410 N PRO A 94 0.219 -11.020 4.638 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.664 -12.013 4.025 1.00 0.42 C ATOM 1412 C PRO A 94 -1.877 -11.384 3.348 1.00 0.39 C ATOM 1413 O PRO A 94 -2.138 -11.631 2.168 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.094 -12.871 5.211 1.00 0.52 C ATOM 1415 CG PRO A 94 0.054 -12.809 6.156 1.00 0.61 C ATOM 1416 CD PRO A 94 0.675 -11.447 5.978 1.00 0.46 C ATOM 0 HA PRO A 94 -0.165 -12.570 3.232 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.005 -12.486 5.669 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.300 -13.896 4.904 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.280 -12.953 7.184 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.776 -13.597 5.942 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.345 -10.754 6.752 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.763 -11.494 6.034 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.596 -10.542 4.085 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.783 -9.895 3.566 1.00 0.43 C ATOM 1426 C GLN A 95 -3.450 -9.010 2.370 1.00 0.36 C ATOM 1427 O GLN A 95 -4.241 -8.898 1.434 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.460 -9.068 4.657 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.765 -9.861 5.915 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.917 -9.266 6.706 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.817 -8.638 6.141 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.906 -9.465 8.013 1.00 1.47 N ATOM 0 H GLN A 95 -2.370 -10.295 5.049 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.469 -10.674 3.233 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.818 -8.226 4.915 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.388 -8.653 4.264 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.006 -10.889 5.644 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.875 -9.897 6.544 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.144 -9.990 8.443 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.660 -9.094 8.592 1.00 1.47 H new ATOM 1441 N THR A 96 -2.269 -8.397 2.398 1.00 0.33 N ATOM 1442 CA THR A 96 -1.837 -7.520 1.326 1.00 0.31 C ATOM 1443 C THR A 96 -1.666 -8.304 0.017 1.00 0.29 C ATOM 1444 O THR A 96 -1.793 -7.751 -1.076 1.00 0.34 O ATOM 1445 CB THR A 96 -0.526 -6.820 1.716 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.571 -6.465 3.105 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.310 -5.565 0.890 1.00 0.46 C ATOM 0 H THR A 96 -1.595 -8.496 3.157 1.00 0.33 H new ATOM 0 HA THR A 96 -2.603 -6.762 1.165 1.00 0.31 H new ATOM 0 HB THR A 96 0.299 -7.507 1.527 1.00 0.34 H new ATOM 0 HG1 THR A 96 -1.092 -5.642 3.216 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.625 -5.090 1.187 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.263 -5.828 -0.167 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.136 -4.874 1.055 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.399 -9.602 0.132 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.304 -10.469 -1.022 1.00 0.39 C ATOM 1457 C VAL A 97 -2.674 -10.993 -1.406 1.00 0.34 C ATOM 1458 O VAL A 97 -3.053 -10.942 -2.568 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.389 -11.670 -0.742 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.422 -12.648 -1.891 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.019 -11.208 -0.496 1.00 1.05 C ATOM 0 H VAL A 97 -1.245 -10.073 1.024 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.886 -9.877 -1.836 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.755 -12.176 0.151 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.233 -13.491 -1.671 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.441 -13.008 -2.033 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.082 -12.152 -2.801 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.656 -12.070 -0.299 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.387 -10.678 -1.375 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.037 -10.539 0.365 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.411 -11.490 -0.419 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.728 -12.076 -0.656 1.00 0.40 C ATOM 1473 C GLU A 98 -5.680 -11.065 -1.276 1.00 0.34 C ATOM 1474 O GLU A 98 -6.633 -11.433 -1.954 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.327 -12.600 0.646 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.489 -13.670 1.314 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.190 -14.291 2.501 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.271 -13.637 3.560 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -5.677 -15.435 2.375 1.00 1.55 O ATOM 0 H GLU A 98 -3.118 -11.499 0.558 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.594 -12.904 -1.352 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.456 -11.767 1.337 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.320 -13.002 0.443 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.251 -14.447 0.588 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.543 -13.237 1.639 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.401 -9.792 -1.058 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.233 -8.735 -1.593 1.00 0.27 C ATOM 1488 C ALA A 99 -5.894 -8.527 -3.054 1.00 0.25 C ATOM 1489 O ALA A 99 -6.769 -8.355 -3.896 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.037 -7.452 -0.800 1.00 0.31 C ATOM 0 H ALA A 99 -4.602 -9.467 -0.513 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.282 -9.019 -1.509 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.670 -6.667 -1.215 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.308 -7.623 0.242 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.993 -7.145 -0.858 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.609 -8.593 -3.349 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.126 -8.480 -4.709 1.00 0.24 C ATOM 1498 C ILE A 100 -4.461 -9.738 -5.491 1.00 0.28 C ATOM 1499 O ILE A 100 -5.123 -9.667 -6.508 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.616 -8.209 -4.696 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.359 -6.709 -4.804 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.865 -8.977 -5.773 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.897 -6.338 -4.784 1.00 0.38 C ATOM 0 H ILE A 100 -3.874 -8.726 -2.654 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.619 -7.644 -5.205 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.227 -8.573 -3.745 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.805 -6.339 -5.727 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.864 -6.203 -3.981 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.802 -8.743 -5.712 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.010 -10.047 -5.625 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.244 -8.692 -6.754 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.795 -5.256 -4.865 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.449 -6.676 -3.850 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.389 -6.814 -5.623 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.018 -10.883 -4.988 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.347 -12.181 -5.545 1.00 0.38 C ATOM 1517 C ASN A 101 -5.825 -12.282 -5.886 1.00 0.37 C ATOM 1518 O ASN A 101 -6.211 -12.925 -6.862 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.994 -13.255 -4.524 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.701 -14.573 -5.178 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.587 -15.400 -5.384 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.446 -14.772 -5.515 1.00 1.55 N ATOM 0 H ASN A 101 -3.411 -10.933 -4.170 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.778 -12.318 -6.465 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.127 -12.936 -3.946 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.819 -13.374 -3.822 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.172 -15.643 -5.969 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.747 -14.055 -5.323 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.649 -11.636 -5.083 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.077 -11.653 -5.300 1.00 0.38 C ATOM 1531 C HIS A 102 -8.497 -10.594 -6.311 1.00 0.38 C ATOM 1532 O HIS A 102 -9.411 -10.819 -7.102 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.812 -11.429 -3.986 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.227 -11.896 -4.022 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.633 -13.099 -3.489 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.331 -11.328 -4.551 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.924 -13.254 -3.692 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.374 -12.193 -4.334 1.00 0.77 N ATOM 0 H HIS A 102 -6.350 -11.093 -4.273 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.341 -12.632 -5.701 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.284 -11.950 -3.187 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.792 -10.367 -3.742 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.384 -10.372 -5.051 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.514 -14.105 -3.385 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.340 -12.040 -4.622 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.826 -9.450 -6.301 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.272 -8.318 -7.105 1.00 0.38 C ATOM 1549 C ALA A 103 -7.618 -8.287 -8.483 1.00 0.40 C ATOM 1550 O ALA A 103 -8.216 -7.821 -9.453 1.00 0.48 O ATOM 1551 CB ALA A 103 -8.002 -7.013 -6.373 1.00 0.43 C ATOM 0 H ALA A 103 -6.982 -9.281 -5.753 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.345 -8.438 -7.257 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.340 -6.176 -6.984 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.540 -7.010 -5.425 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.933 -6.916 -6.184 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.407 -8.821 -8.583 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.597 -8.656 -9.768 1.00 0.51 C ATOM 1559 C LYS A 104 -6.077 -9.571 -10.889 1.00 0.50 C ATOM 1560 O LYS A 104 -5.676 -9.422 -12.041 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.112 -8.903 -9.411 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.764 -10.320 -8.950 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.686 -11.305 -10.098 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.610 -10.906 -11.097 1.00 1.92 C ATOM 1565 NZ LYS A 104 -2.419 -11.923 -12.161 1.00 2.56 N ATOM 0 H LYS A 104 -5.968 -9.375 -7.848 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.696 -7.635 -10.137 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.504 -8.666 -10.284 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.826 -8.205 -8.624 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -2.809 -10.303 -8.426 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.514 -10.660 -8.235 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -3.474 -12.302 -9.711 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -4.651 -11.357 -10.601 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.877 -9.953 -11.553 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.668 -10.754 -10.570 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -1.676 -11.605 -12.816 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -2.137 -12.827 -11.731 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -3.309 -12.051 -12.683 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.964 -10.504 -10.554 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.397 -11.504 -11.517 1.00 0.61 C ATOM 1581 C ALA A 105 -8.649 -11.069 -12.262 1.00 0.66 C ATOM 1582 O ALA A 105 -9.137 -11.776 -13.145 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.605 -12.851 -10.840 1.00 0.72 C ATOM 0 H ALA A 105 -7.392 -10.586 -9.632 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.603 -11.610 -12.256 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.929 -13.584 -11.579 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.669 -13.180 -10.389 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.367 -12.756 -10.066 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.160 -9.904 -11.915 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.222 -9.292 -12.689 1.00 0.70 C ATOM 1591 C ALA A 106 -9.588 -8.309 -13.656 1.00 0.72 C ATOM 1592 O ALA A 106 -10.266 -7.525 -14.323 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.235 -8.612 -11.781 1.00 0.75 C ATOM 0 H ALA A 106 -8.858 -9.363 -11.104 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.769 -10.052 -13.247 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.021 -8.161 -12.386 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.673 -9.349 -11.108 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.738 -7.838 -11.197 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.253 -8.375 -13.697 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.431 -7.549 -14.570 1.00 0.73 C ATOM 1601 C ASN A 107 -7.589 -6.081 -14.215 1.00 0.67 C ATOM 1602 O ASN A 107 -7.524 -5.208 -15.080 1.00 0.80 O ATOM 1603 CB ASN A 107 -7.781 -7.799 -16.024 1.00 0.92 C ATOM 1604 CG ASN A 107 -6.590 -7.649 -16.963 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -5.685 -6.730 -16.659 1.00 1.99 O flip ATOM 1606 ND2 ASN A 107 -6.494 -8.350 -17.969 1.00 2.06 N flip ATOM 0 H ASN A 107 -7.712 -9.014 -13.115 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.386 -7.822 -14.424 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.190 -8.804 -16.125 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -8.564 -7.104 -16.327 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.208 -9.049 -18.174 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -5.700 -8.233 -18.598 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.794 -5.819 -12.935 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.954 -4.455 -12.460 1.00 0.49 C ATOM 1615 C VAL A 108 -6.611 -3.882 -12.036 1.00 0.40 C ATOM 1616 O VAL A 108 -5.661 -4.626 -11.770 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.933 -4.361 -11.264 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.893 -5.537 -11.235 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.186 -4.222 -9.942 1.00 1.08 C ATOM 0 H VAL A 108 -7.853 -6.531 -12.207 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.368 -3.881 -13.289 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.528 -3.458 -11.402 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.565 -5.437 -10.382 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.476 -5.554 -12.156 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.329 -6.465 -11.146 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.903 -4.159 -9.124 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.543 -5.090 -9.794 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.577 -3.318 -9.961 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.509 -2.552 -12.007 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.364 -1.868 -11.437 1.00 0.35 C ATOM 1631 C PRO A 109 -5.324 -1.938 -9.921 1.00 0.30 C ATOM 1632 O PRO A 109 -6.352 -1.874 -9.232 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.535 -0.415 -11.833 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.671 -0.369 -12.784 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.480 -1.618 -12.576 1.00 0.48 C ATOM 0 HA PRO A 109 -4.445 -2.330 -11.798 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.736 0.204 -10.959 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.626 -0.029 -12.295 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.281 0.517 -12.611 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.310 -0.312 -13.811 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.318 -1.447 -11.901 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.896 -1.990 -13.513 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.116 -1.980 -9.420 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.872 -2.076 -7.992 1.00 0.25 C ATOM 1645 C ILE A 110 -3.066 -0.870 -7.537 1.00 0.23 C ATOM 1646 O ILE A 110 -2.194 -0.386 -8.259 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.145 -3.397 -7.601 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.151 -4.533 -7.372 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.278 -3.219 -6.358 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.764 -5.092 -8.635 1.00 0.96 C ATOM 0 H ILE A 110 -3.268 -1.949 -9.986 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.838 -2.089 -7.487 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.496 -3.660 -8.436 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.652 -5.341 -6.837 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.950 -4.169 -6.726 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.788 -4.163 -6.118 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.523 -2.456 -6.547 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.903 -2.911 -5.520 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.462 -5.889 -8.379 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.296 -4.300 -9.163 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.977 -5.490 -9.276 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.376 -0.368 -6.357 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.707 0.804 -5.833 1.00 0.25 C ATOM 1664 C ILE A 111 -1.971 0.426 -4.584 1.00 0.32 C ATOM 1665 O ILE A 111 -2.304 -0.552 -3.953 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.723 1.905 -5.502 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.582 2.199 -6.714 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.042 3.173 -5.014 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.924 2.706 -6.308 1.00 0.53 C ATOM 0 H ILE A 111 -4.091 -0.757 -5.742 1.00 0.23 H new ATOM 0 HA ILE A 111 -2.014 1.181 -6.585 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.356 1.543 -4.692 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.086 2.937 -7.345 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.697 1.294 -7.311 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.796 3.928 -4.790 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.469 2.954 -4.113 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.372 3.547 -5.788 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.521 2.909 -7.197 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.427 1.956 -5.697 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.807 3.624 -5.732 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.957 1.172 -4.255 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.236 0.968 -3.048 1.00 0.20 C ATOM 1683 C VAL A 112 -0.294 2.214 -2.212 1.00 0.20 C ATOM 1684 O VAL A 112 -0.179 3.320 -2.730 1.00 0.23 O ATOM 1685 CB VAL A 112 1.219 0.661 -3.345 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.727 -0.357 -2.384 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.375 0.161 -4.764 1.00 0.22 C ATOM 0 H VAL A 112 -0.610 1.943 -4.826 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.686 0.129 -2.516 1.00 0.20 H new ATOM 0 HB VAL A 112 1.800 1.577 -3.236 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.773 -0.574 -2.602 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.640 0.027 -1.368 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.140 -1.271 -2.478 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.425 -0.055 -4.960 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.787 -0.747 -4.896 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.025 0.924 -5.459 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.469 2.039 -0.934 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.410 3.142 -0.021 1.00 0.21 C ATOM 1699 C ALA A 113 0.625 2.824 1.021 1.00 0.21 C ATOM 1700 O ALA A 113 0.325 2.232 2.051 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.767 3.396 0.611 1.00 0.25 C ATOM 0 H ALA A 113 -0.655 1.135 -0.499 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.134 4.054 -0.550 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.696 4.238 1.300 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.494 3.625 -0.168 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.087 2.508 1.156 1.00 0.25 H new ATOM 1707 N ILE A 114 1.850 3.191 0.713 1.00 0.21 N ATOM 1708 CA ILE A 114 2.963 3.018 1.627 1.00 0.24 C ATOM 1709 C ILE A 114 2.813 3.950 2.824 1.00 0.25 C ATOM 1710 O ILE A 114 3.286 5.082 2.789 1.00 0.30 O ATOM 1711 CB ILE A 114 4.297 3.312 0.915 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.373 2.567 -0.422 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.450 2.911 1.805 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.636 2.858 -1.209 1.00 0.85 C ATOM 0 H ILE A 114 2.105 3.618 -0.178 1.00 0.21 H new ATOM 0 HA ILE A 114 2.963 1.984 1.972 1.00 0.24 H new ATOM 0 HB ILE A 114 4.357 4.381 0.712 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.311 1.495 -0.235 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.508 2.836 -1.028 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.392 3.121 1.297 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.405 3.477 2.735 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.386 1.845 2.025 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.620 2.296 -2.143 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.691 3.924 -1.428 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.506 2.563 -0.623 1.00 0.85 H new ATOM 1726 N ASN A 115 2.152 3.472 3.872 1.00 0.26 N ATOM 1727 CA ASN A 115 1.807 4.310 5.012 1.00 0.31 C ATOM 1728 C ASN A 115 3.009 4.470 5.943 1.00 0.37 C ATOM 1729 O ASN A 115 3.899 3.615 5.961 1.00 0.39 O ATOM 1730 CB ASN A 115 0.614 3.692 5.753 1.00 0.39 C ATOM 1731 CG ASN A 115 0.101 4.532 6.910 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.234 5.760 6.926 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.517 3.869 7.877 1.00 0.69 N ATOM 0 H ASN A 115 1.843 2.503 3.955 1.00 0.26 H new ATOM 0 HA ASN A 115 1.528 5.303 4.661 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.199 3.534 5.044 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.903 2.711 6.130 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -0.905 4.374 8.674 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.605 2.854 7.824 1.00 0.69 H new ATOM 1740 N LYS A 116 3.024 5.569 6.700 1.00 0.49 N ATOM 1741 CA LYS A 116 4.130 5.907 7.602 1.00 0.62 C ATOM 1742 C LYS A 116 5.412 6.171 6.818 1.00 0.57 C ATOM 1743 O LYS A 116 6.517 5.915 7.296 1.00 0.67 O ATOM 1744 CB LYS A 116 4.361 4.804 8.647 1.00 0.78 C ATOM 1745 CG LYS A 116 3.261 4.703 9.691 1.00 1.15 C ATOM 1746 CD LYS A 116 3.585 3.633 10.722 1.00 1.50 C ATOM 1747 CE LYS A 116 2.583 3.617 11.867 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.203 3.307 11.411 1.00 2.61 N ATOM 0 H LYS A 116 2.267 6.253 6.706 1.00 0.49 H new ATOM 0 HA LYS A 116 3.852 6.819 8.130 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.452 3.846 8.135 1.00 0.78 H new ATOM 0 HB3 LYS A 116 5.310 4.987 9.150 1.00 0.78 H new ATOM 0 HG2 LYS A 116 3.136 5.665 10.187 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.314 4.470 9.205 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.597 2.656 10.238 1.00 1.50 H new ATOM 0 HD3 LYS A 116 4.585 3.804 11.119 1.00 1.50 H new ATOM 0 HE2 LYS A 116 2.893 2.878 12.606 1.00 2.05 H new ATOM 0 HE3 LYS A 116 2.589 4.587 12.364 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.568 3.258 12.233 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.875 4.053 10.765 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.198 2.393 10.915 1.00 2.61 H new ATOM 1762 N MET A 117 5.253 6.709 5.619 1.00 0.58 N ATOM 1763 CA MET A 117 6.378 7.013 4.758 1.00 0.69 C ATOM 1764 C MET A 117 6.950 8.392 5.092 1.00 0.81 C ATOM 1765 O MET A 117 8.049 8.749 4.663 1.00 1.03 O ATOM 1766 CB MET A 117 5.924 6.892 3.300 1.00 0.85 C ATOM 1767 CG MET A 117 6.557 7.871 2.331 1.00 0.81 C ATOM 1768 SD MET A 117 8.271 7.472 1.918 1.00 1.37 S ATOM 1769 CE MET A 117 8.087 5.850 1.181 1.00 0.65 C ATOM 0 H MET A 117 4.345 6.945 5.220 1.00 0.58 H new ATOM 0 HA MET A 117 7.189 6.302 4.919 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.136 5.880 2.956 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.842 7.021 3.264 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.967 7.895 1.415 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.519 8.872 2.761 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.479 5.094 1.862 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.032 5.655 0.990 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.638 5.813 0.241 1.00 0.65 H new ATOM 1852 N ASN A 123 10.716 2.010 3.226 1.00 0.59 N ATOM 1853 CA ASN A 123 11.807 1.768 2.281 1.00 0.57 C ATOM 1854 C ASN A 123 11.246 1.478 0.909 1.00 0.46 C ATOM 1855 O ASN A 123 10.976 0.331 0.555 1.00 0.52 O ATOM 1856 CB ASN A 123 12.700 0.613 2.753 1.00 0.85 C ATOM 1857 CG ASN A 123 13.984 0.473 1.939 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.045 0.835 0.762 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.019 -0.068 2.561 1.00 1.84 N ATOM 0 HA ASN A 123 12.423 2.666 2.229 1.00 0.57 H new ATOM 0 HB2 ASN A 123 12.957 0.766 3.801 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.138 -0.319 2.696 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.901 -0.196 2.066 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.934 -0.357 3.536 1.00 1.84 H new ATOM 1866 N PRO A 124 11.039 2.568 0.161 1.00 0.41 N ATOM 1867 CA PRO A 124 10.591 2.590 -1.222 1.00 0.47 C ATOM 1868 C PRO A 124 10.797 1.296 -2.012 1.00 0.42 C ATOM 1869 O PRO A 124 9.877 0.487 -2.120 1.00 0.40 O ATOM 1870 CB PRO A 124 11.496 3.698 -1.716 1.00 0.66 C ATOM 1871 CG PRO A 124 11.334 4.736 -0.669 1.00 0.70 C ATOM 1872 CD PRO A 124 11.265 3.958 0.623 1.00 0.46 C ATOM 0 HA PRO A 124 9.515 2.723 -1.334 1.00 0.47 H new ATOM 0 HB2 PRO A 124 12.531 3.368 -1.803 1.00 0.66 H new ATOM 0 HB3 PRO A 124 11.193 4.062 -2.698 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.171 5.434 -0.668 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.430 5.323 -0.828 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.186 4.048 1.198 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.455 4.308 1.263 1.00 0.46 H new ATOM 1880 N ASP A 125 12.008 1.097 -2.520 1.00 0.45 N ATOM 1881 CA ASP A 125 12.320 -0.010 -3.435 1.00 0.45 C ATOM 1882 C ASP A 125 11.942 -1.356 -2.856 1.00 0.38 C ATOM 1883 O ASP A 125 11.346 -2.175 -3.546 1.00 0.33 O ATOM 1884 CB ASP A 125 13.805 -0.012 -3.739 1.00 0.56 C ATOM 1885 CG ASP A 125 14.244 -1.220 -4.537 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.053 -1.229 -5.769 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.796 -2.166 -3.935 1.00 2.00 O ATOM 0 H ASP A 125 12.807 1.696 -2.312 1.00 0.45 H new ATOM 0 HA ASP A 125 11.736 0.145 -4.342 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.058 0.893 -4.291 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.362 0.020 -2.803 1.00 0.56 H new ATOM 1892 N ARG A 126 12.309 -1.585 -1.602 1.00 0.40 N ATOM 1893 CA ARG A 126 11.977 -2.829 -0.925 1.00 0.40 C ATOM 1894 C ARG A 126 10.500 -3.109 -1.072 1.00 0.34 C ATOM 1895 O ARG A 126 10.088 -4.103 -1.665 1.00 0.32 O ATOM 1896 CB ARG A 126 12.325 -2.732 0.560 1.00 0.47 C ATOM 1897 CG ARG A 126 11.853 -3.926 1.368 1.00 0.58 C ATOM 1898 CD ARG A 126 12.479 -5.213 0.869 1.00 1.25 C ATOM 1899 NE ARG A 126 12.189 -6.347 1.745 1.00 1.38 N ATOM 1900 CZ ARG A 126 12.378 -7.622 1.401 1.00 2.08 C ATOM 1901 NH1 ARG A 126 12.848 -7.930 0.201 1.00 2.99 N ATOM 1902 NH2 ARG A 126 12.102 -8.593 2.262 1.00 2.15 N ATOM 0 H ARG A 126 12.838 -0.924 -1.033 1.00 0.40 H new ATOM 0 HA ARG A 126 12.552 -3.637 -1.376 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.405 -2.634 0.667 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.881 -1.826 0.971 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.106 -3.780 2.418 1.00 0.58 H new ATOM 0 HG3 ARG A 126 10.767 -4.001 1.309 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.111 -5.428 -0.134 1.00 1.25 H new ATOM 0 HD3 ARG A 126 13.558 -5.083 0.792 1.00 1.25 H new ATOM 0 HE ARG A 126 11.820 -6.151 2.676 1.00 1.38 H new ATOM 0 HH11 ARG A 126 13.068 -7.190 -0.466 1.00 2.99 H new ATOM 0 HH12 ARG A 126 12.990 -8.907 -0.056 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.744 -8.366 3.190 1.00 2.15 H new ATOM 0 HH22 ARG A 126 12.247 -9.567 1.996 1.00 2.15 H new ATOM 1916 N VAL A 127 9.729 -2.179 -0.560 1.00 0.34 N ATOM 1917 CA VAL A 127 8.276 -2.271 -0.573 1.00 0.34 C ATOM 1918 C VAL A 127 7.756 -2.363 -2.008 1.00 0.31 C ATOM 1919 O VAL A 127 6.914 -3.203 -2.336 1.00 0.33 O ATOM 1920 CB VAL A 127 7.641 -1.048 0.120 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.126 -1.170 0.160 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.209 -0.874 1.520 1.00 0.40 C ATOM 0 H VAL A 127 10.087 -1.331 -0.119 1.00 0.34 H new ATOM 0 HA VAL A 127 7.997 -3.173 -0.029 1.00 0.34 H new ATOM 0 HB VAL A 127 7.888 -0.160 -0.462 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.703 -0.295 0.654 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.739 -1.235 -0.857 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.848 -2.068 0.712 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.750 -0.006 1.994 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.998 -1.765 2.112 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.287 -0.726 1.459 1.00 0.40 H new ATOM 1932 N MET A 128 8.293 -1.523 -2.870 1.00 0.28 N ATOM 1933 CA MET A 128 7.840 -1.457 -4.247 1.00 0.26 C ATOM 1934 C MET A 128 8.183 -2.739 -5.005 1.00 0.25 C ATOM 1935 O MET A 128 7.499 -3.102 -5.965 1.00 0.25 O ATOM 1936 CB MET A 128 8.426 -0.228 -4.947 1.00 0.25 C ATOM 1937 CG MET A 128 8.016 1.090 -4.300 1.00 0.27 C ATOM 1938 SD MET A 128 8.655 2.545 -5.156 1.00 0.30 S ATOM 1939 CE MET A 128 7.739 2.470 -6.693 1.00 0.29 C ATOM 0 H MET A 128 9.046 -0.874 -2.641 1.00 0.28 H new ATOM 0 HA MET A 128 6.754 -1.361 -4.242 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.513 -0.302 -4.945 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.108 -0.227 -5.990 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.928 1.146 -4.268 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.366 1.103 -3.268 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.336 2.907 -7.494 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.515 1.431 -6.933 1.00 0.29 H new ATOM 0 HE3 MET A 128 6.808 3.027 -6.589 1.00 0.29 H new ATOM 1949 N GLN A 129 9.225 -3.438 -4.568 1.00 0.25 N ATOM 1950 CA GLN A 129 9.601 -4.689 -5.207 1.00 0.26 C ATOM 1951 C GLN A 129 8.812 -5.857 -4.640 1.00 0.29 C ATOM 1952 O GLN A 129 8.730 -6.904 -5.269 1.00 0.31 O ATOM 1953 CB GLN A 129 11.102 -4.958 -5.112 1.00 0.29 C ATOM 1954 CG GLN A 129 11.897 -4.273 -6.213 1.00 0.31 C ATOM 1955 CD GLN A 129 13.298 -4.833 -6.365 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.514 -5.793 -7.106 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.263 -4.225 -5.699 1.00 1.28 N ATOM 0 H GLN A 129 9.816 -3.162 -3.784 1.00 0.25 H new ATOM 0 HA GLN A 129 9.354 -4.587 -6.264 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.466 -4.618 -4.143 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.277 -6.033 -5.159 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.364 -4.379 -7.158 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.959 -3.206 -5.999 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.045 -3.433 -5.095 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.226 -4.548 -5.789 1.00 1.28 H new ATOM 1966 N GLU A 130 8.226 -5.674 -3.457 1.00 0.33 N ATOM 1967 CA GLU A 130 7.291 -6.660 -2.918 1.00 0.38 C ATOM 1968 C GLU A 130 6.137 -6.801 -3.877 1.00 0.33 C ATOM 1969 O GLU A 130 5.678 -7.896 -4.185 1.00 0.36 O ATOM 1970 CB GLU A 130 6.715 -6.220 -1.574 1.00 0.48 C ATOM 1971 CG GLU A 130 7.749 -5.698 -0.621 1.00 0.71 C ATOM 1972 CD GLU A 130 8.581 -6.801 -0.004 1.00 1.18 C ATOM 1973 OE1 GLU A 130 8.159 -7.349 1.039 1.00 2.02 O ATOM 1974 OE2 GLU A 130 9.643 -7.136 -0.557 1.00 1.46 O ATOM 0 H GLU A 130 8.380 -4.862 -2.860 1.00 0.33 H new ATOM 0 HA GLU A 130 7.833 -7.596 -2.783 1.00 0.38 H new ATOM 0 HB2 GLU A 130 5.966 -5.446 -1.745 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.202 -7.064 -1.114 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.405 -5.004 -1.147 1.00 0.71 H new ATOM 0 HG3 GLU A 130 7.256 -5.133 0.171 1.00 0.71 H new ATOM 1981 N LEU A 131 5.687 -5.666 -4.370 1.00 0.29 N ATOM 1982 CA LEU A 131 4.491 -5.645 -5.194 1.00 0.29 C ATOM 1983 C LEU A 131 4.774 -6.209 -6.559 1.00 0.24 C ATOM 1984 O LEU A 131 3.985 -6.976 -7.109 1.00 0.25 O ATOM 1985 CB LEU A 131 3.929 -4.233 -5.293 1.00 0.32 C ATOM 1986 CG LEU A 131 3.111 -3.803 -4.081 1.00 0.48 C ATOM 1987 CD1 LEU A 131 1.986 -4.781 -3.858 1.00 0.34 C ATOM 1988 CD2 LEU A 131 3.982 -3.748 -2.847 1.00 1.06 C ATOM 0 H LEU A 131 6.122 -4.756 -4.219 1.00 0.29 H new ATOM 0 HA LEU A 131 3.738 -6.275 -4.719 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.754 -3.534 -5.428 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.304 -4.164 -6.183 1.00 0.32 H new ATOM 0 HG LEU A 131 2.704 -2.809 -4.269 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.402 -4.472 -2.991 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.344 -4.804 -4.739 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.397 -5.775 -3.683 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.382 -3.439 -1.991 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.405 -4.734 -2.656 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.788 -3.031 -3.002 1.00 1.06 H new ATOM 2000 N MET A 132 5.927 -5.872 -7.089 1.00 0.21 N ATOM 2001 CA MET A 132 6.332 -6.407 -8.365 1.00 0.22 C ATOM 2002 C MET A 132 6.872 -7.822 -8.183 1.00 0.26 C ATOM 2003 O MET A 132 7.180 -8.513 -9.151 1.00 0.32 O ATOM 2004 CB MET A 132 7.350 -5.491 -9.025 1.00 0.23 C ATOM 2005 CG MET A 132 8.763 -5.618 -8.489 1.00 0.26 C ATOM 2006 SD MET A 132 9.806 -6.603 -9.573 1.00 0.35 S ATOM 2007 CE MET A 132 9.196 -6.039 -11.163 1.00 0.32 C ATOM 0 H MET A 132 6.596 -5.234 -6.659 1.00 0.21 H new ATOM 0 HA MET A 132 5.468 -6.461 -9.028 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.363 -5.697 -10.095 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.022 -4.459 -8.903 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.197 -4.625 -8.371 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.736 -6.073 -7.499 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.912 -6.303 -11.942 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.238 -6.514 -11.374 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.067 -4.957 -11.140 1.00 0.32 H new ATOM 2017 N GLU A 133 6.944 -8.261 -6.927 1.00 0.27 N ATOM 2018 CA GLU A 133 7.268 -9.640 -6.623 1.00 0.35 C ATOM 2019 C GLU A 133 6.051 -10.477 -6.957 1.00 0.34 C ATOM 2020 O GLU A 133 6.163 -11.611 -7.420 1.00 0.40 O ATOM 2021 CB GLU A 133 7.654 -9.802 -5.147 1.00 0.44 C ATOM 2022 CG GLU A 133 7.886 -11.239 -4.704 1.00 0.67 C ATOM 2023 CD GLU A 133 9.100 -11.869 -5.351 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.232 -11.493 -4.992 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.927 -12.762 -6.209 1.00 2.18 O ATOM 0 H GLU A 133 6.781 -7.675 -6.108 1.00 0.27 H new ATOM 0 HA GLU A 133 8.126 -9.965 -7.211 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.560 -9.227 -4.957 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.867 -9.369 -4.530 1.00 0.44 H new ATOM 0 HG2 GLU A 133 8.004 -11.265 -3.621 1.00 0.67 H new ATOM 0 HG3 GLU A 133 7.004 -11.834 -4.943 1.00 0.67 H new ATOM 2032 N TYR A 134 4.874 -9.887 -6.757 1.00 0.30 N ATOM 2033 CA TYR A 134 3.641 -10.529 -7.179 1.00 0.34 C ATOM 2034 C TYR A 134 3.333 -10.159 -8.629 1.00 0.36 C ATOM 2035 O TYR A 134 2.270 -10.479 -9.157 1.00 0.44 O ATOM 2036 CB TYR A 134 2.518 -10.142 -6.239 1.00 0.32 C ATOM 2037 CG TYR A 134 2.923 -10.291 -4.796 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.285 -11.530 -4.282 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.025 -9.185 -3.971 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.714 -11.662 -2.977 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.468 -9.305 -2.673 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.813 -10.545 -2.178 1.00 0.57 C ATOM 2043 OH TYR A 134 4.261 -10.668 -0.880 1.00 0.74 O ATOM 0 H TYR A 134 4.753 -8.978 -6.311 1.00 0.30 H new ATOM 0 HA TYR A 134 3.750 -11.613 -7.135 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.223 -9.110 -6.430 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.646 -10.765 -6.438 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.230 -12.404 -4.914 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.753 -8.212 -4.351 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.970 -12.635 -2.585 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.545 -8.430 -2.044 1.00 0.49 H new ATOM 0 HH TYR A 134 4.720 -9.844 -0.613 1.00 0.74 H new ATOM 2053 N ASN A 135 4.307 -9.485 -9.255 1.00 0.35 N ATOM 2054 CA ASN A 135 4.245 -9.085 -10.665 1.00 0.38 C ATOM 2055 C ASN A 135 3.261 -7.952 -10.855 1.00 0.42 C ATOM 2056 O ASN A 135 2.585 -7.856 -11.876 1.00 0.59 O ATOM 2057 CB ASN A 135 3.897 -10.261 -11.590 1.00 0.47 C ATOM 2058 CG ASN A 135 5.088 -11.152 -11.909 1.00 1.19 C ATOM 2059 OD1 ASN A 135 6.043 -11.238 -10.999 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 5.147 -11.764 -12.976 1.00 1.89 N flip ATOM 0 H ASN A 135 5.169 -9.200 -8.791 1.00 0.35 H new ATOM 0 HA ASN A 135 5.241 -8.740 -10.943 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.117 -10.863 -11.123 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.484 -9.872 -12.521 1.00 0.47 H new ATOM 0 HD21 ASN A 135 4.393 -11.676 -13.657 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.950 -12.359 -13.179 1.00 1.89 H new ATOM 2067 N LEU A 136 3.188 -7.095 -9.857 1.00 0.38 N ATOM 2068 CA LEU A 136 2.421 -5.883 -9.951 1.00 0.46 C ATOM 2069 C LEU A 136 3.380 -4.716 -9.961 1.00 0.39 C ATOM 2070 O LEU A 136 3.661 -4.094 -8.935 1.00 0.43 O ATOM 2071 CB LEU A 136 1.401 -5.761 -8.833 1.00 0.62 C ATOM 2072 CG LEU A 136 0.250 -6.764 -8.894 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.608 -8.034 -8.151 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.019 -6.153 -8.338 1.00 1.44 C ATOM 0 H LEU A 136 3.660 -7.224 -8.962 1.00 0.38 H new ATOM 0 HA LEU A 136 1.844 -5.894 -10.875 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.915 -5.879 -7.879 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.986 -4.753 -8.849 1.00 0.62 H new ATOM 0 HG LEU A 136 0.074 -7.021 -9.938 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.225 -8.735 -8.206 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.492 -8.484 -8.604 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.815 -7.799 -7.107 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.827 -6.883 -8.390 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.858 -5.863 -7.300 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.286 -5.273 -8.924 1.00 1.44 H new ATOM 2086 N VAL A 137 3.928 -4.486 -11.134 1.00 0.33 N ATOM 2087 CA VAL A 137 4.927 -3.454 -11.337 1.00 0.27 C ATOM 2088 C VAL A 137 4.331 -2.076 -11.152 1.00 0.26 C ATOM 2089 O VAL A 137 3.291 -1.754 -11.719 1.00 0.27 O ATOM 2090 CB VAL A 137 5.561 -3.514 -12.737 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.066 -3.715 -12.628 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.916 -4.600 -13.585 1.00 0.49 C ATOM 0 H VAL A 137 3.694 -5.010 -11.978 1.00 0.33 H new ATOM 0 HA VAL A 137 5.699 -3.639 -10.590 1.00 0.27 H new ATOM 0 HB VAL A 137 5.381 -2.563 -13.238 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.501 -3.756 -13.627 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.505 -2.885 -12.075 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.271 -4.649 -12.105 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.384 -4.619 -14.569 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.050 -5.567 -13.101 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.851 -4.393 -13.694 1.00 0.49 H new ATOM 2102 N PRO A 138 4.983 -1.259 -10.328 1.00 0.25 N ATOM 2103 CA PRO A 138 4.614 0.138 -10.130 1.00 0.27 C ATOM 2104 C PRO A 138 4.425 0.908 -11.426 1.00 0.30 C ATOM 2105 O PRO A 138 4.993 0.572 -12.466 1.00 0.29 O ATOM 2106 CB PRO A 138 5.809 0.720 -9.403 1.00 0.30 C ATOM 2107 CG PRO A 138 6.419 -0.419 -8.682 1.00 0.29 C ATOM 2108 CD PRO A 138 6.113 -1.662 -9.475 1.00 0.27 C ATOM 0 HA PRO A 138 3.663 0.207 -9.602 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.516 1.167 -10.102 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.505 1.506 -8.712 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.496 -0.280 -8.584 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.014 -0.497 -7.673 1.00 0.29 H new ATOM 0 HD2 PRO A 138 6.970 -1.980 -10.069 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.848 -2.497 -8.826 1.00 0.27 H new ATOM 2116 N GLU A 139 3.666 1.977 -11.315 1.00 0.35 N ATOM 2117 CA GLU A 139 3.426 2.890 -12.425 1.00 0.40 C ATOM 2118 C GLU A 139 4.696 3.657 -12.715 1.00 0.42 C ATOM 2119 O GLU A 139 4.951 4.059 -13.849 1.00 0.50 O ATOM 2120 CB GLU A 139 2.297 3.853 -12.087 1.00 0.47 C ATOM 2121 CG GLU A 139 0.930 3.202 -12.077 1.00 0.80 C ATOM 2122 CD GLU A 139 0.537 2.698 -13.446 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.002 1.611 -13.831 1.00 2.01 O ATOM 2124 OE2 GLU A 139 -0.209 3.407 -14.151 1.00 1.98 O ATOM 0 H GLU A 139 3.194 2.243 -10.451 1.00 0.35 H new ATOM 0 HA GLU A 139 3.133 2.319 -13.306 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.487 4.295 -11.109 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.297 4.668 -12.810 1.00 0.47 H new ATOM 0 HG2 GLU A 139 0.928 2.372 -11.370 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.188 3.920 -11.728 1.00 0.80 H new ATOM 2131 N GLU A 140 5.461 3.879 -11.654 1.00 0.42 N ATOM 2132 CA GLU A 140 6.837 4.317 -11.750 1.00 0.44 C ATOM 2133 C GLU A 140 7.584 3.506 -12.779 1.00 0.43 C ATOM 2134 O GLU A 140 8.202 4.033 -13.706 1.00 0.51 O ATOM 2135 CB GLU A 140 7.525 4.055 -10.423 1.00 0.45 C ATOM 2136 CG GLU A 140 7.340 5.104 -9.371 1.00 0.75 C ATOM 2137 CD GLU A 140 5.902 5.560 -9.207 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.026 4.695 -8.989 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.649 6.784 -9.288 1.00 1.14 O ATOM 0 H GLU A 140 5.135 3.757 -10.695 1.00 0.42 H new ATOM 0 HA GLU A 140 6.839 5.373 -12.019 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.162 3.105 -10.029 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.593 3.937 -10.607 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.699 4.717 -8.418 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.959 5.966 -9.618 1.00 0.75 H new ATOM 2146 N TRP A 141 7.513 2.203 -12.585 1.00 0.35 N ATOM 2147 CA TRP A 141 8.379 1.285 -13.280 1.00 0.35 C ATOM 2148 C TRP A 141 7.757 0.844 -14.601 1.00 0.38 C ATOM 2149 O TRP A 141 8.450 0.339 -15.485 1.00 0.45 O ATOM 2150 CB TRP A 141 8.712 0.099 -12.394 1.00 0.32 C ATOM 2151 CG TRP A 141 9.178 0.452 -10.992 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.414 1.699 -10.439 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.430 -0.486 -9.944 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.801 1.564 -9.132 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.813 0.237 -8.801 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.361 -1.872 -9.868 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.122 -0.383 -7.593 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.660 -2.492 -8.668 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.035 -1.748 -7.538 1.00 0.23 C ATOM 0 H TRP A 141 6.856 1.758 -11.944 1.00 0.35 H new ATOM 0 HA TRP A 141 9.312 1.797 -13.517 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.830 -0.536 -12.317 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.489 -0.491 -12.880 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.309 2.639 -10.961 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.042 2.332 -8.505 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.079 -2.456 -10.732 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.420 0.193 -6.729 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.604 -3.568 -8.599 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.258 -2.259 -6.613 1.00 0.23 H new ATOM 2170 N GLY A 142 6.445 1.022 -14.734 1.00 0.35 N ATOM 2171 CA GLY A 142 5.815 0.834 -16.026 1.00 0.39 C ATOM 2172 C GLY A 142 4.934 -0.384 -16.059 1.00 0.38 C ATOM 2173 O GLY A 142 4.746 -1.003 -17.107 1.00 0.45 O ATOM 0 H GLY A 142 5.814 1.290 -13.978 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.222 1.715 -16.270 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.584 0.744 -16.793 1.00 0.39 H new ATOM 2177 N GLY A 143 4.405 -0.739 -14.906 1.00 0.33 N ATOM 2178 CA GLY A 143 3.511 -1.873 -14.830 1.00 0.34 C ATOM 2179 C GLY A 143 2.065 -1.446 -14.807 1.00 0.37 C ATOM 2180 O GLY A 143 1.541 -0.952 -15.808 1.00 0.50 O ATOM 0 H GLY A 143 4.576 -0.265 -14.019 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.683 -2.529 -15.683 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.733 -2.452 -13.933 1.00 0.34 H new ATOM 2184 N ASP A 144 1.422 -1.637 -13.668 1.00 0.33 N ATOM 2185 CA ASP A 144 0.041 -1.210 -13.489 1.00 0.40 C ATOM 2186 C ASP A 144 -0.295 -1.071 -12.010 1.00 0.30 C ATOM 2187 O ASP A 144 -1.430 -1.315 -11.578 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.945 -2.171 -14.178 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.789 -3.618 -13.745 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -1.395 -4.003 -12.721 1.00 1.30 O ATOM 2191 OD2 ASP A 144 -0.053 -4.375 -14.408 1.00 1.19 O ATOM 0 H ASP A 144 1.834 -2.086 -12.850 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.062 -0.234 -13.963 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.964 -1.845 -13.967 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.807 -2.107 -15.257 1.00 0.57 H new ATOM 2196 N THR A 145 0.692 -0.667 -11.226 1.00 0.25 N ATOM 2197 CA THR A 145 0.491 -0.545 -9.790 1.00 0.24 C ATOM 2198 C THR A 145 0.856 0.847 -9.283 1.00 0.24 C ATOM 2199 O THR A 145 2.020 1.244 -9.282 1.00 0.31 O ATOM 2200 CB THR A 145 1.294 -1.619 -9.050 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.980 -2.890 -9.618 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.967 -1.633 -7.563 1.00 0.28 C ATOM 0 H THR A 145 1.627 -0.421 -11.552 1.00 0.25 H new ATOM 0 HA THR A 145 -0.570 -0.695 -9.588 1.00 0.24 H new ATOM 0 HB THR A 145 2.356 -1.399 -9.156 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.021 -3.064 -9.519 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.554 -2.407 -7.069 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.207 -0.662 -7.129 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.094 -1.840 -7.426 1.00 0.28 H new ATOM 2210 N ILE A 146 -0.155 1.580 -8.842 1.00 0.26 N ATOM 2211 CA ILE A 146 0.023 2.963 -8.424 1.00 0.27 C ATOM 2212 C ILE A 146 0.612 3.040 -7.019 1.00 0.24 C ATOM 2213 O ILE A 146 -0.088 2.821 -6.040 1.00 0.26 O ATOM 2214 CB ILE A 146 -1.316 3.739 -8.445 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.902 3.826 -9.859 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -1.123 5.132 -7.874 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.595 2.562 -10.324 1.00 1.23 C ATOM 0 H ILE A 146 -1.113 1.238 -8.764 1.00 0.26 H new ATOM 0 HA ILE A 146 0.712 3.419 -9.135 1.00 0.27 H new ATOM 0 HB ILE A 146 -2.025 3.189 -7.826 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -2.613 4.651 -9.895 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.101 4.066 -10.558 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -2.072 5.668 -7.894 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.770 5.058 -6.845 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -0.389 5.672 -8.472 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.980 2.709 -11.333 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.884 1.736 -10.324 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.420 2.331 -9.650 1.00 1.23 H new ATOM 2229 N PHE A 147 1.890 3.366 -6.919 1.00 0.23 N ATOM 2230 CA PHE A 147 2.551 3.455 -5.622 1.00 0.22 C ATOM 2231 C PHE A 147 2.409 4.835 -5.011 1.00 0.24 C ATOM 2232 O PHE A 147 2.940 5.820 -5.528 1.00 0.38 O ATOM 2233 CB PHE A 147 4.025 3.097 -5.743 1.00 0.23 C ATOM 2234 CG PHE A 147 4.258 1.635 -5.579 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.041 0.770 -6.634 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.721 1.127 -4.382 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.276 -0.580 -6.496 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.961 -0.223 -4.239 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.642 -1.085 -5.249 1.00 0.19 C ATOM 0 H PHE A 147 2.491 3.573 -7.716 1.00 0.23 H new ATOM 0 HA PHE A 147 2.060 2.739 -4.963 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.397 3.417 -6.716 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.594 3.642 -4.989 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.683 1.156 -7.577 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.897 1.793 -3.550 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.178 -1.241 -7.345 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.402 -0.599 -3.328 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.673 -2.152 -5.083 1.00 0.19 H new ATOM 2249 N CYS A 148 1.691 4.897 -3.908 1.00 0.25 N ATOM 2250 CA CYS A 148 1.560 6.121 -3.154 1.00 0.28 C ATOM 2251 C CYS A 148 2.404 6.036 -1.897 1.00 0.26 C ATOM 2252 O CYS A 148 2.024 5.384 -0.927 1.00 0.32 O ATOM 2253 CB CYS A 148 0.101 6.358 -2.777 1.00 0.30 C ATOM 2254 SG CYS A 148 -1.017 6.423 -4.197 1.00 1.10 S ATOM 0 H CYS A 148 1.186 4.104 -3.513 1.00 0.25 H new ATOM 0 HA CYS A 148 1.903 6.953 -3.769 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.225 5.564 -2.106 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.026 7.294 -2.224 1.00 0.30 H new ATOM 0 HG CYS A 148 -2.027 5.631 -3.991 1.00 1.10 H new ATOM 2260 N LYS A 149 3.564 6.656 -1.928 1.00 0.37 N ATOM 2261 CA LYS A 149 4.386 6.756 -0.741 1.00 0.38 C ATOM 2262 C LYS A 149 3.865 7.904 0.115 1.00 0.39 C ATOM 2263 O LYS A 149 4.334 9.039 0.025 1.00 0.47 O ATOM 2264 CB LYS A 149 5.859 6.935 -1.126 1.00 0.47 C ATOM 2265 CG LYS A 149 6.083 7.853 -2.316 1.00 0.64 C ATOM 2266 CD LYS A 149 7.537 7.855 -2.764 1.00 0.94 C ATOM 2267 CE LYS A 149 7.722 8.632 -4.063 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.036 7.976 -5.211 1.00 2.44 N ATOM 0 H LYS A 149 3.958 7.097 -2.759 1.00 0.37 H new ATOM 0 HA LYS A 149 4.328 5.838 -0.157 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.402 7.331 -0.268 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.286 5.957 -1.350 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.448 7.536 -3.144 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.782 8.867 -2.054 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.158 8.295 -1.984 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.878 6.829 -2.901 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.334 9.643 -3.939 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.786 8.724 -4.282 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.388 8.380 -6.102 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.230 6.954 -5.194 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.011 8.135 -5.140 1.00 2.44 H new ATOM 2282 N LEU A 150 2.872 7.590 0.936 1.00 0.40 N ATOM 2283 CA LEU A 150 2.072 8.603 1.601 1.00 0.45 C ATOM 2284 C LEU A 150 2.083 8.458 3.116 1.00 0.45 C ATOM 2285 O LEU A 150 2.779 7.617 3.680 1.00 0.49 O ATOM 2286 CB LEU A 150 0.628 8.554 1.055 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.285 7.365 1.446 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.480 6.112 1.816 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.241 7.756 2.563 1.00 1.27 C ATOM 0 H LEU A 150 2.602 6.632 1.157 1.00 0.40 H new ATOM 0 HA LEU A 150 2.516 9.575 1.384 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.127 9.470 1.368 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.687 8.579 -0.033 1.00 0.60 H new ATOM 0 HG LEU A 150 -0.859 7.123 0.552 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.222 5.321 2.078 1.00 1.25 H new ATOM 0 HD12 LEU A 150 1.086 5.792 0.969 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.128 6.319 2.668 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.870 6.903 2.818 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.670 8.061 3.440 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.868 8.584 2.232 1.00 1.27 H new ATOM 2301 N SER A 151 1.298 9.301 3.754 1.00 0.49 N ATOM 2302 CA SER A 151 1.114 9.263 5.186 1.00 0.55 C ATOM 2303 C SER A 151 -0.203 9.927 5.549 1.00 0.57 C ATOM 2304 O SER A 151 -0.458 11.061 5.156 1.00 0.60 O ATOM 2305 CB SER A 151 2.273 9.950 5.890 1.00 0.66 C ATOM 2306 OG SER A 151 3.284 9.021 6.245 1.00 1.79 O ATOM 0 H SER A 151 0.767 10.037 3.288 1.00 0.49 H new ATOM 0 HA SER A 151 1.088 8.224 5.514 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.693 10.717 5.239 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.910 10.455 6.785 1.00 0.66 H new ATOM 0 HG SER A 151 4.017 9.491 6.694 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.055 9.203 6.261 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.332 9.746 6.716 1.00 0.70 C ATOM 2314 C ALA A 152 -2.151 10.489 8.028 1.00 0.74 C ATOM 2315 O ALA A 152 -3.024 11.248 8.456 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.341 8.627 6.881 1.00 0.86 C ATOM 0 H ALA A 152 -0.887 8.236 6.538 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.703 10.448 5.969 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.291 9.041 7.221 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.486 8.124 5.925 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.973 7.911 7.616 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.993 10.289 8.638 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.670 10.902 9.907 1.00 0.93 C ATOM 2324 C LYS A 153 -0.390 12.371 9.695 1.00 0.86 C ATOM 2325 O LYS A 153 -1.030 13.236 10.287 1.00 0.96 O ATOM 2326 CB LYS A 153 0.535 10.213 10.503 1.00 1.13 C ATOM 2327 CG LYS A 153 0.987 10.787 11.829 1.00 1.19 C ATOM 2328 CD LYS A 153 2.090 9.940 12.447 1.00 1.68 C ATOM 2329 CE LYS A 153 3.337 9.908 11.576 1.00 2.31 C ATOM 2330 NZ LYS A 153 4.123 11.167 11.674 1.00 3.03 N ATOM 0 H LYS A 153 -0.253 9.696 8.263 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.509 10.800 10.595 1.00 0.93 H new ATOM 0 HB2 LYS A 153 0.305 9.156 10.637 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.361 10.272 9.794 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.345 11.806 11.684 1.00 1.19 H new ATOM 0 HG3 LYS A 153 0.140 10.841 12.513 1.00 1.19 H new ATOM 0 HD2 LYS A 153 2.344 10.336 13.430 1.00 1.68 H new ATOM 0 HD3 LYS A 153 1.726 8.924 12.597 1.00 1.68 H new ATOM 0 HE2 LYS A 153 3.963 9.067 11.872 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.049 9.741 10.538 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 4.963 11.100 11.064 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.535 11.968 11.367 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 4.421 11.314 12.659 1.00 3.03 H new ATOM 2344 N THR A 154 0.562 12.634 8.821 1.00 0.78 N ATOM 2345 CA THR A 154 0.834 13.989 8.388 1.00 0.81 C ATOM 2346 C THR A 154 -0.204 14.396 7.354 1.00 0.73 C ATOM 2347 O THR A 154 -0.444 15.580 7.105 1.00 0.82 O ATOM 2348 CB THR A 154 2.248 14.117 7.797 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.438 13.124 6.779 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.303 13.948 8.875 1.00 1.20 C ATOM 0 H THR A 154 1.160 11.925 8.397 1.00 0.78 H new ATOM 0 HA THR A 154 0.779 14.650 9.253 1.00 0.81 H new ATOM 0 HB THR A 154 2.351 15.112 7.365 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.000 13.491 6.065 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.294 14.043 8.432 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.171 14.716 9.637 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.202 12.963 9.332 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.798 13.364 6.756 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.932 13.488 5.842 1.00 0.67 C ATOM 2360 C LYS A 155 -1.526 14.113 4.504 1.00 0.66 C ATOM 2361 O LYS A 155 -2.371 14.376 3.648 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.054 14.283 6.512 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.427 14.033 5.920 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.532 14.579 6.810 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.809 13.690 8.019 1.00 1.39 C ATOM 2366 NZ LYS A 155 -4.665 13.615 8.970 1.00 2.27 N ATOM 0 H LYS A 155 -0.498 12.399 6.896 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.297 12.486 5.617 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -3.077 14.035 7.573 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.826 15.346 6.438 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.489 14.498 4.936 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.572 12.962 5.776 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.257 15.576 7.153 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -6.446 14.684 6.225 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.686 14.067 8.545 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.052 12.685 7.674 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -5.021 13.413 9.926 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -4.017 12.857 8.675 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -4.157 14.522 8.974 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.228 14.307 4.317 1.00 0.62 N ATOM 2381 CA GLU A 156 0.303 14.888 3.086 1.00 0.66 C ATOM 2382 C GLU A 156 0.091 13.941 1.909 1.00 0.59 C ATOM 2383 O GLU A 156 -0.400 14.322 0.837 1.00 0.58 O ATOM 2384 CB GLU A 156 1.799 15.139 3.248 1.00 0.75 C ATOM 2385 CG GLU A 156 2.176 15.803 4.558 1.00 1.13 C ATOM 2386 CD GLU A 156 3.669 15.775 4.793 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.268 14.684 4.719 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.247 16.851 5.073 1.00 2.64 O ATOM 0 H GLU A 156 0.484 14.069 5.007 1.00 0.62 H new ATOM 0 HA GLU A 156 -0.221 15.824 2.892 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.327 14.189 3.169 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.143 15.764 2.424 1.00 0.75 H new ATOM 0 HG2 GLU A 156 1.828 16.836 4.555 1.00 1.13 H new ATOM 0 HG3 GLU A 156 1.669 15.298 5.380 1.00 1.13 H new ATOM 2395 N GLY A 157 0.479 12.696 2.123 1.00 0.62 N ATOM 2396 CA GLY A 157 0.367 11.696 1.096 1.00 0.61 C ATOM 2397 C GLY A 157 -1.063 11.444 0.669 1.00 0.48 C ATOM 2398 O GLY A 157 -1.305 10.972 -0.437 1.00 0.46 O ATOM 0 H GLY A 157 0.874 12.361 3.002 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.950 12.007 0.229 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.803 10.764 1.455 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.010 11.748 1.547 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.422 11.603 1.224 1.00 0.50 C ATOM 2404 C LEU A 158 -3.815 12.557 0.106 1.00 0.46 C ATOM 2405 O LEU A 158 -4.678 12.240 -0.715 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.288 11.835 2.461 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.264 10.702 3.493 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.247 10.981 4.615 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.585 9.372 2.831 1.00 1.27 C ATOM 0 H LEU A 158 -1.825 12.096 2.488 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.590 10.583 0.879 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.962 12.755 2.947 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.318 11.992 2.140 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.261 10.647 3.917 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.215 10.166 5.338 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.979 11.915 5.110 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.253 11.063 4.205 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.563 8.579 3.578 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.577 9.420 2.381 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.845 9.162 2.058 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.164 13.717 0.064 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.334 14.641 -1.051 1.00 0.57 C ATOM 2423 C ASP A 159 -2.899 13.957 -2.330 1.00 0.50 C ATOM 2424 O ASP A 159 -3.655 13.884 -3.298 1.00 0.52 O ATOM 2425 CB ASP A 159 -2.503 15.917 -0.861 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.006 16.796 0.260 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.938 17.590 0.030 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.463 16.712 1.380 1.00 2.50 O ATOM 0 H ASP A 159 -2.518 14.037 0.785 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.386 14.923 -1.100 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -1.468 15.642 -0.661 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.507 16.487 -1.790 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.678 13.429 -2.309 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.123 12.728 -3.468 1.00 0.46 C ATOM 2435 C HIS A 160 -1.991 11.532 -3.853 1.00 0.41 C ATOM 2436 O HIS A 160 -2.117 11.202 -5.030 1.00 0.43 O ATOM 2437 CB HIS A 160 0.316 12.264 -3.190 1.00 0.50 C ATOM 2438 CG HIS A 160 0.975 11.587 -4.360 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.624 12.275 -5.361 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.078 10.275 -4.686 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.096 11.422 -6.248 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.782 10.200 -5.863 1.00 0.67 N ATOM 0 H HIS A 160 -1.053 13.472 -1.504 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.110 13.430 -4.302 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.915 13.126 -2.897 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.309 11.578 -2.343 1.00 0.50 H new ATOM 0 HD2 HIS A 160 0.680 9.443 -4.124 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.647 11.680 -7.140 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.022 9.341 -6.358 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.585 10.891 -2.856 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.424 9.721 -3.078 1.00 0.39 C ATOM 2453 C LEU A 161 -4.621 10.064 -3.959 1.00 0.39 C ATOM 2454 O LEU A 161 -4.771 9.508 -5.045 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.898 9.146 -1.741 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.828 7.936 -1.843 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.131 6.780 -2.543 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.308 7.511 -0.467 1.00 0.88 C ATOM 0 H LEU A 161 -2.500 11.165 -1.877 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.827 8.970 -3.594 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.023 8.863 -1.155 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.411 9.932 -1.188 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.696 8.224 -2.436 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.810 5.930 -2.605 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.839 7.086 -3.548 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.243 6.495 -1.979 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.968 6.649 -0.562 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.451 7.245 0.151 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.850 8.334 -0.001 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.456 10.989 -3.492 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.631 11.424 -4.241 1.00 0.44 C ATOM 2472 C LEU A 162 -6.234 11.886 -5.636 1.00 0.45 C ATOM 2473 O LEU A 162 -6.911 11.574 -6.616 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.329 12.559 -3.488 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.797 12.217 -2.072 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.425 13.437 -1.413 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.784 11.057 -2.098 1.00 1.06 C ATOM 0 H LEU A 162 -5.339 11.454 -2.592 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.317 10.583 -4.341 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.648 13.408 -3.432 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.193 12.881 -4.070 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.929 11.914 -1.486 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.753 13.178 -0.406 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.690 14.240 -1.360 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.282 13.767 -2.000 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.105 10.829 -1.081 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.651 11.330 -2.699 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.303 10.180 -2.532 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.113 12.597 -5.718 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.605 13.086 -6.997 1.00 0.52 C ATOM 2491 C GLU A 163 -4.283 11.925 -7.928 1.00 0.51 C ATOM 2492 O GLU A 163 -4.709 11.901 -9.081 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.339 13.928 -6.803 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.535 15.196 -5.987 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.570 16.130 -6.576 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.567 16.336 -7.805 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -5.366 16.693 -5.802 1.00 2.49 O ATOM 0 H GLU A 163 -4.538 12.848 -4.913 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.385 13.706 -7.439 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.582 13.313 -6.317 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.947 14.200 -7.783 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.833 14.926 -4.974 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.583 15.721 -5.910 1.00 1.06 H new ATOM 2504 N MET A 164 -3.537 10.955 -7.416 1.00 0.49 N ATOM 2505 CA MET A 164 -3.078 9.844 -8.233 1.00 0.52 C ATOM 2506 C MET A 164 -4.247 8.947 -8.616 1.00 0.51 C ATOM 2507 O MET A 164 -4.282 8.393 -9.714 1.00 0.57 O ATOM 2508 CB MET A 164 -2.012 9.037 -7.492 1.00 0.53 C ATOM 2509 CG MET A 164 -0.992 8.378 -8.410 1.00 0.68 C ATOM 2510 SD MET A 164 0.404 9.453 -8.821 1.00 0.87 S ATOM 2511 CE MET A 164 -0.400 10.792 -9.697 1.00 0.67 C ATOM 0 H MET A 164 -3.239 10.917 -6.441 1.00 0.49 H new ATOM 0 HA MET A 164 -2.636 10.248 -9.144 1.00 0.52 H new ATOM 0 HB2 MET A 164 -1.490 9.694 -6.797 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.502 8.267 -6.896 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.616 7.473 -7.933 1.00 0.68 H new ATOM 0 HG3 MET A 164 -1.488 8.071 -9.331 1.00 0.68 H new ATOM 0 HE1 MET A 164 0.334 11.324 -10.302 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.178 10.388 -10.344 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.846 11.480 -8.979 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.205 8.820 -7.704 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.411 8.056 -7.940 1.00 0.51 C ATOM 2523 C ILE A 165 -7.151 8.579 -9.177 1.00 0.58 C ATOM 2524 O ILE A 165 -7.454 7.817 -10.098 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.322 8.130 -6.697 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.780 7.221 -5.590 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.751 7.766 -7.037 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.522 7.358 -4.280 1.00 0.50 C ATOM 0 H ILE A 165 -5.161 9.248 -6.779 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.139 7.016 -8.124 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.322 9.159 -6.338 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.835 6.184 -5.923 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.726 7.448 -5.427 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.366 7.828 -6.139 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.134 8.457 -7.788 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.784 6.750 -7.430 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.085 6.685 -3.542 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.446 8.386 -3.924 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.571 7.102 -4.428 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.412 9.886 -9.217 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.174 10.467 -10.310 1.00 0.72 C ATOM 2542 C LEU A 166 -7.343 10.618 -11.578 1.00 0.72 C ATOM 2543 O LEU A 166 -7.855 10.428 -12.683 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.780 11.811 -9.911 1.00 0.82 C ATOM 2545 CG LEU A 166 -7.855 12.826 -9.227 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.101 13.659 -10.253 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.655 13.730 -8.299 1.00 1.48 C ATOM 0 H LEU A 166 -7.107 10.554 -8.509 1.00 0.61 H new ATOM 0 HA LEU A 166 -8.983 9.770 -10.528 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.187 12.277 -10.808 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.620 11.617 -9.244 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.124 12.272 -8.637 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.453 14.370 -9.740 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -6.496 13.004 -10.880 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -7.813 14.201 -10.876 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -7.985 14.445 -7.821 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.408 14.268 -8.875 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.145 13.126 -7.536 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.073 10.962 -11.418 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.172 11.117 -12.556 1.00 0.79 C ATOM 2561 C LEU A 167 -5.038 9.797 -13.303 1.00 0.87 C ATOM 2562 O LEU A 167 -4.756 9.771 -14.497 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.794 11.611 -12.102 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.816 11.941 -13.238 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.382 13.030 -14.136 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.464 12.360 -12.680 1.00 1.41 C ATOM 0 H LEU A 167 -5.641 11.140 -10.511 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.596 11.864 -13.227 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.928 12.502 -11.488 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.344 10.850 -11.465 1.00 0.84 H new ATOM 0 HG LEU A 167 -2.676 11.041 -13.837 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.673 13.248 -14.934 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.323 12.692 -14.569 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.556 13.932 -13.549 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.786 12.589 -13.502 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.587 13.244 -12.054 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.049 11.548 -12.084 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.268 8.703 -12.596 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.210 7.387 -13.198 1.00 0.96 C ATOM 2580 C VAL A 168 -6.546 7.046 -13.840 1.00 1.01 C ATOM 2581 O VAL A 168 -6.592 6.462 -14.921 1.00 1.14 O ATOM 2582 CB VAL A 168 -4.805 6.317 -12.161 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -5.321 4.941 -12.544 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -3.296 6.286 -12.027 1.00 1.14 C ATOM 0 H VAL A 168 -5.497 8.703 -11.602 1.00 0.83 H new ATOM 0 HA VAL A 168 -4.445 7.397 -13.974 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.256 6.584 -11.205 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -5.016 4.215 -11.790 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -6.409 4.965 -12.606 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -4.909 4.654 -13.512 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.011 5.530 -11.295 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -2.850 6.043 -12.991 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -2.940 7.262 -11.698 1.00 1.14 H new