USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot 170:sc= 0.208 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= 0.00245 USER MOD Set 2.1: A 101 ASN : amide:sc= -0.119 K(o=0.44,f=-1.7!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -155:sc= 0.558 (180deg=0.479) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-7.1!) USER MOD Set 3.2: A 96 THR OG1 : rot -131:sc= 0.0715 USER MOD Set 4.1: A 49 GLN : amide:sc= 0.688 X(o=1.3,f=0.81) USER MOD Set 4.2: A 58 THR OG1 : rot 170:sc= 0.622 USER MOD Set 5.1: A 16 HIS : no HE2:sc= -1.92 K(o=-1.3,f=-2.3!) USER MOD Set 5.2: A 95 GLN : amide:sc= 0.649 K(o=-1.3,f=-1.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -160:sc= 0 (180deg=-0.0426) 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 160:sc= -0.844 USER MOD Single : A 30 HIS : no HE2:sc= 1.29 K(o=1.3,f=-5.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 100:sc= -1.64! USER MOD Single : A 93 MET CE :methyl 173:sc= -3.21! (180deg=-3.52!) USER MOD Single : A 102 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0044) USER MOD Single : A 107 ASN : amide:sc= 0.848 K(o=0.85,f=-0.23) USER MOD Single : A 115 ASN : amide:sc= 0.775 K(o=0.77,f=-3.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 134:sc= -0.951 (180deg=-3.99) USER MOD Single : A 123 ASN : amide:sc= 0.283 K(o=0.28,f=-3.6!) USER MOD Single : A 128 MET CE :methyl -151:sc= -3.48! (180deg=-5.75!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 132 MET CE :methyl 153:sc= -1.43! (180deg=-4.52!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN :FLIP amide:sc= -0.166 F(o=-2!,f=-0.17) USER MOD Single : A 145 THR OG1 : rot -50:sc= -0.963 USER MOD Single : A 148 CYS SG : rot -90:sc= -0.251 USER MOD Single : A 149 LYS NZ :NH3+ 165:sc=-0.00783 (180deg=-0.142) USER MOD Single : A 153 LYS NZ :NH3+ -162:sc= -0.0829 (180deg=-0.413) USER MOD Single : A 155 LYS NZ :NH3+ -177:sc= 0.489 (180deg=0.484) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl 140:sc= -1.54 (180deg=-3.35!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.068 2.877 -5.827 1.00 0.67 N ATOM 156 CA VAL A 11 -12.709 2.561 -5.489 1.00 0.60 C ATOM 157 C VAL A 11 -12.659 1.628 -4.278 1.00 0.56 C ATOM 158 O VAL A 11 -13.116 1.979 -3.194 1.00 0.74 O ATOM 159 CB VAL A 11 -11.936 3.856 -5.203 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.593 3.544 -4.597 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.780 4.669 -6.482 1.00 0.98 C ATOM 0 HA VAL A 11 -12.244 2.047 -6.330 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.501 4.451 -4.485 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.058 4.473 -4.400 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.733 3.001 -3.662 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.015 2.932 -5.289 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.230 5.585 -6.266 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.233 4.083 -7.221 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.765 4.921 -6.875 1.00 0.98 H new ATOM 171 N THR A 12 -12.106 0.445 -4.480 1.00 0.46 N ATOM 172 CA THR A 12 -12.034 -0.569 -3.443 1.00 0.45 C ATOM 173 C THR A 12 -10.788 -0.375 -2.573 1.00 0.39 C ATOM 174 O THR A 12 -9.682 -0.209 -3.089 1.00 0.43 O ATOM 175 CB THR A 12 -12.002 -1.977 -4.072 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.026 -2.085 -5.071 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.206 -3.056 -3.019 1.00 0.62 C ATOM 0 H THR A 12 -11.694 0.160 -5.368 1.00 0.46 H new ATOM 0 HA THR A 12 -12.921 -0.470 -2.817 1.00 0.45 H new ATOM 0 HB THR A 12 -11.022 -2.122 -4.527 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.001 -2.980 -5.469 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.178 -4.037 -3.493 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.414 -2.991 -2.273 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.172 -2.914 -2.535 1.00 0.62 H new ATOM 185 N ILE A 13 -10.971 -0.383 -1.260 1.00 0.39 N ATOM 186 CA ILE A 13 -9.851 -0.251 -0.337 1.00 0.38 C ATOM 187 C ILE A 13 -9.381 -1.622 0.125 1.00 0.37 C ATOM 188 O ILE A 13 -10.158 -2.407 0.669 1.00 0.51 O ATOM 189 CB ILE A 13 -10.219 0.599 0.896 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.646 2.005 0.466 1.00 0.86 C ATOM 191 CG2 ILE A 13 -9.045 0.670 1.865 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.961 2.920 1.629 1.00 1.03 C ATOM 0 H ILE A 13 -11.881 -0.479 -0.810 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.050 0.255 -0.876 1.00 0.38 H new ATOM 0 HB ILE A 13 -11.057 0.124 1.406 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.851 2.451 -0.132 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.524 1.930 -0.175 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -9.322 1.274 2.729 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.783 -0.336 2.194 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -8.188 1.123 1.366 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -11.256 3.899 1.252 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.776 2.496 2.215 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -10.078 3.025 2.259 1.00 1.03 H new ATOM 204 N MET A 14 -8.112 -1.909 -0.099 1.00 0.31 N ATOM 205 CA MET A 14 -7.544 -3.206 0.267 1.00 0.35 C ATOM 206 C MET A 14 -6.160 -3.074 0.886 1.00 0.29 C ATOM 207 O MET A 14 -5.604 -1.983 0.992 1.00 0.46 O ATOM 208 CB MET A 14 -7.446 -4.130 -0.950 1.00 0.56 C ATOM 209 CG MET A 14 -8.761 -4.751 -1.388 1.00 0.75 C ATOM 210 SD MET A 14 -8.551 -5.857 -2.796 1.00 1.04 S ATOM 211 CE MET A 14 -10.161 -6.634 -2.882 1.00 0.77 C ATOM 0 H MET A 14 -7.450 -1.265 -0.532 1.00 0.31 H new ATOM 0 HA MET A 14 -8.221 -3.634 1.006 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.032 -3.565 -1.785 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.740 -4.930 -0.725 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.196 -5.303 -0.555 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.465 -3.961 -1.649 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.086 -7.565 -3.443 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.517 -6.846 -1.874 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.862 -5.965 -3.381 1.00 0.77 H new ATOM 221 N GLY A 15 -5.632 -4.204 1.319 1.00 0.34 N ATOM 222 CA GLY A 15 -4.285 -4.290 1.811 1.00 0.45 C ATOM 223 C GLY A 15 -4.254 -5.106 3.073 1.00 0.62 C ATOM 224 O GLY A 15 -4.333 -6.325 3.043 1.00 1.55 O ATOM 0 H GLY A 15 -6.137 -5.090 1.336 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.641 -4.744 1.058 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.894 -3.291 2.004 1.00 0.45 H new ATOM 228 N HIS A 16 -4.202 -4.411 4.171 1.00 0.51 N ATOM 229 CA HIS A 16 -4.237 -5.005 5.492 1.00 0.45 C ATOM 230 C HIS A 16 -4.654 -3.925 6.485 1.00 0.49 C ATOM 231 O HIS A 16 -4.142 -2.804 6.457 1.00 0.64 O ATOM 232 CB HIS A 16 -2.873 -5.620 5.853 1.00 0.43 C ATOM 233 CG HIS A 16 -2.748 -6.025 7.292 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.733 -6.748 7.922 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.752 -5.776 8.171 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.316 -6.921 9.164 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.120 -6.349 9.361 1.00 0.59 N ATOM 0 H HIS A 16 -4.133 -3.393 4.183 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.960 -5.820 5.522 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.702 -6.494 5.224 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.088 -4.901 5.619 1.00 0.43 H new ATOM 0 HD1 HIS A 16 -4.606 -7.082 7.515 1.00 0.62 H new ATOM 0 HD2 HIS A 16 -0.841 -5.230 7.974 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.868 -7.455 9.923 1.00 0.66 H new ATOM 245 N VAL A 17 -5.603 -4.274 7.343 1.00 0.53 N ATOM 246 CA VAL A 17 -6.309 -3.302 8.170 1.00 0.67 C ATOM 247 C VAL A 17 -5.380 -2.560 9.132 1.00 0.64 C ATOM 248 O VAL A 17 -5.622 -1.392 9.448 1.00 0.78 O ATOM 249 CB VAL A 17 -7.456 -3.982 8.959 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.918 -5.024 9.929 1.00 1.55 C ATOM 251 CG2 VAL A 17 -8.301 -2.952 9.690 1.00 1.62 C ATOM 0 H VAL A 17 -5.906 -5.238 7.486 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.728 -2.562 7.488 1.00 0.67 H new ATOM 0 HB VAL A 17 -8.093 -4.494 8.237 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -7.748 -5.483 10.467 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -6.376 -5.791 9.376 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -6.244 -4.546 10.640 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -9.099 -3.457 10.235 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.675 -2.399 10.391 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -8.736 -2.260 8.969 1.00 1.62 H new ATOM 261 N ASP A 18 -4.306 -3.216 9.554 1.00 0.57 N ATOM 262 CA ASP A 18 -3.436 -2.670 10.593 1.00 0.61 C ATOM 263 C ASP A 18 -2.339 -1.770 10.018 1.00 0.56 C ATOM 264 O ASP A 18 -1.866 -0.860 10.697 1.00 0.69 O ATOM 265 CB ASP A 18 -2.811 -3.807 11.401 1.00 0.69 C ATOM 266 CG ASP A 18 -1.968 -3.310 12.559 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.543 -2.979 13.620 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.728 -3.267 12.421 1.00 1.78 O ATOM 0 H ASP A 18 -4.015 -4.125 9.195 1.00 0.57 H new ATOM 0 HA ASP A 18 -4.054 -2.052 11.244 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -3.602 -4.452 11.784 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -2.193 -4.417 10.743 1.00 0.69 H new ATOM 273 N HIS A 19 -1.947 -2.016 8.767 1.00 0.46 N ATOM 274 CA HIS A 19 -0.894 -1.230 8.120 1.00 0.48 C ATOM 275 C HIS A 19 -1.237 0.253 8.123 1.00 0.58 C ATOM 276 O HIS A 19 -0.439 1.094 8.543 1.00 0.65 O ATOM 277 CB HIS A 19 -0.689 -1.693 6.679 1.00 0.46 C ATOM 278 CG HIS A 19 0.176 -2.908 6.543 1.00 0.40 C ATOM 279 ND1 HIS A 19 0.086 -3.724 5.443 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.151 -3.372 7.362 1.00 0.56 C ATOM 281 CE1 HIS A 19 1.005 -4.655 5.611 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.671 -4.483 6.757 1.00 0.48 N ATOM 0 H HIS A 19 -2.342 -2.752 8.182 1.00 0.46 H new ATOM 0 HA HIS A 19 0.025 -1.383 8.687 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.662 -1.902 6.234 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.245 -0.878 6.107 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.457 -2.948 8.307 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.195 -5.455 4.911 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.425 -5.070 7.113 1.00 0.48 H new ATOM 290 N GLY A 20 -2.423 0.559 7.642 1.00 0.76 N ATOM 291 CA GLY A 20 -2.888 1.926 7.613 1.00 0.90 C ATOM 292 C GLY A 20 -4.239 2.025 6.956 1.00 0.81 C ATOM 293 O GLY A 20 -4.543 3.004 6.289 1.00 0.93 O ATOM 0 H GLY A 20 -3.082 -0.122 7.266 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -2.945 2.316 8.629 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.172 2.546 7.074 1.00 0.90 H new ATOM 297 N LYS A 21 -5.045 0.994 7.142 1.00 0.79 N ATOM 298 CA LYS A 21 -6.346 0.903 6.498 1.00 0.87 C ATOM 299 C LYS A 21 -7.409 1.572 7.359 1.00 0.89 C ATOM 300 O LYS A 21 -8.107 2.481 6.911 1.00 0.93 O ATOM 301 CB LYS A 21 -6.679 -0.569 6.275 1.00 1.09 C ATOM 302 CG LYS A 21 -7.916 -0.851 5.431 1.00 1.20 C ATOM 303 CD LYS A 21 -9.187 -0.892 6.269 1.00 1.39 C ATOM 304 CE LYS A 21 -10.287 -1.662 5.558 1.00 1.73 C ATOM 305 NZ LYS A 21 -11.558 -1.669 6.325 1.00 2.11 N ATOM 0 H LYS A 21 -4.819 0.200 7.740 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.322 1.419 5.538 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -5.822 -1.047 5.800 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.811 -1.043 7.248 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -8.013 -0.083 4.664 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -7.792 -1.803 4.915 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.977 -1.358 7.232 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -9.524 0.124 6.474 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -10.460 -1.220 4.577 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.960 -2.688 5.392 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -12.277 -2.206 5.800 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.402 -2.114 7.252 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.887 -0.692 6.461 1.00 2.11 H new ATOM 319 N THR A 22 -7.524 1.120 8.604 1.00 0.92 N ATOM 320 CA THR A 22 -8.512 1.669 9.519 1.00 1.00 C ATOM 321 C THR A 22 -8.150 3.107 9.879 1.00 0.99 C ATOM 322 O THR A 22 -9.022 3.945 10.104 1.00 1.03 O ATOM 323 CB THR A 22 -8.646 0.809 10.800 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.664 1.341 11.659 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.324 0.730 11.556 1.00 1.65 C ATOM 0 H THR A 22 -6.946 0.378 8.999 1.00 0.92 H new ATOM 0 HA THR A 22 -9.478 1.658 9.014 1.00 1.00 H new ATOM 0 HB THR A 22 -8.927 -0.198 10.492 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.737 0.785 12.463 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.452 0.119 12.450 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.565 0.281 10.915 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.009 1.733 11.844 1.00 1.65 H new ATOM 333 N THR A 23 -6.859 3.394 9.892 1.00 0.99 N ATOM 334 CA THR A 23 -6.387 4.730 10.178 1.00 1.02 C ATOM 335 C THR A 23 -6.569 5.633 8.965 1.00 0.96 C ATOM 336 O THR A 23 -6.747 6.842 9.109 1.00 0.96 O ATOM 337 CB THR A 23 -4.912 4.711 10.610 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.160 3.865 9.730 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.774 4.212 12.041 1.00 1.41 C ATOM 0 H THR A 23 -6.121 2.715 9.707 1.00 0.99 H new ATOM 0 HA THR A 23 -6.980 5.127 11.002 1.00 1.02 H new ATOM 0 HB THR A 23 -4.525 5.729 10.559 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.209 4.093 9.791 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.722 4.207 12.325 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.327 4.870 12.711 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.174 3.201 12.114 1.00 1.41 H new ATOM 347 N LEU A 24 -6.552 5.037 7.772 1.00 0.96 N ATOM 348 CA LEU A 24 -6.780 5.796 6.543 1.00 0.96 C ATOM 349 C LEU A 24 -8.210 6.318 6.527 1.00 0.89 C ATOM 350 O LEU A 24 -8.443 7.509 6.331 1.00 0.91 O ATOM 351 CB LEU A 24 -6.507 4.918 5.309 1.00 1.06 C ATOM 352 CG LEU A 24 -6.453 5.642 3.955 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.636 4.831 2.962 1.00 1.78 C ATOM 354 CD2 LEU A 24 -7.853 5.869 3.400 1.00 1.57 C ATOM 0 H LEU A 24 -6.384 4.041 7.631 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.093 6.642 6.511 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.558 4.403 5.459 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.281 4.152 5.256 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.980 6.612 4.109 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.604 5.353 2.005 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -4.622 4.706 3.341 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -6.096 3.852 2.826 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -7.785 6.383 2.441 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -8.350 4.909 3.263 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -8.427 6.478 4.098 1.00 1.57 H new ATOM 366 N LEU A 25 -9.157 5.417 6.772 1.00 0.88 N ATOM 367 CA LEU A 25 -10.578 5.756 6.789 1.00 0.91 C ATOM 368 C LEU A 25 -10.846 6.852 7.817 1.00 0.89 C ATOM 369 O LEU A 25 -11.633 7.761 7.585 1.00 0.92 O ATOM 370 CB LEU A 25 -11.386 4.503 7.144 1.00 1.02 C ATOM 371 CG LEU A 25 -12.857 4.499 6.709 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.386 3.075 6.665 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.710 5.335 7.651 1.00 1.96 C ATOM 0 H LEU A 25 -8.963 4.434 6.964 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.875 6.121 5.806 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.894 3.640 6.696 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.348 4.366 8.225 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.914 4.938 5.713 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.431 3.084 6.355 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -12.802 2.492 5.953 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.305 2.626 7.655 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.748 5.314 7.318 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.644 4.927 8.660 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.350 6.364 7.651 1.00 1.96 H new ATOM 385 N ASP A 26 -10.197 6.755 8.962 1.00 0.91 N ATOM 386 CA ASP A 26 -10.376 7.754 10.009 1.00 0.96 C ATOM 387 C ASP A 26 -9.737 9.088 9.627 1.00 0.92 C ATOM 388 O ASP A 26 -10.383 10.138 9.704 1.00 0.95 O ATOM 389 CB ASP A 26 -9.821 7.279 11.332 1.00 1.05 C ATOM 390 CG ASP A 26 -10.169 8.236 12.454 1.00 1.21 C ATOM 391 OD1 ASP A 26 -11.312 8.187 12.950 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.280 9.016 12.867 1.00 1.38 O ATOM 0 H ASP A 26 -9.547 6.004 9.194 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.450 7.903 10.119 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.217 6.289 11.560 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.738 7.180 11.259 1.00 1.05 H new ATOM 397 N ALA A 27 -8.478 9.044 9.198 1.00 0.89 N ATOM 398 CA ALA A 27 -7.743 10.251 8.819 1.00 0.89 C ATOM 399 C ALA A 27 -8.417 10.961 7.651 1.00 0.85 C ATOM 400 O ALA A 27 -8.420 12.189 7.568 1.00 0.90 O ATOM 401 CB ALA A 27 -6.313 9.900 8.444 1.00 0.91 C ATOM 0 H ALA A 27 -7.942 8.181 9.103 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.739 10.923 9.677 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.777 10.807 8.164 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.817 9.434 9.296 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.317 9.207 7.603 1.00 0.91 H new ATOM 407 N ILE A 28 -8.994 10.169 6.764 1.00 0.82 N ATOM 408 CA ILE A 28 -9.637 10.678 5.565 1.00 0.83 C ATOM 409 C ILE A 28 -10.932 11.423 5.914 1.00 0.88 C ATOM 410 O ILE A 28 -11.275 12.416 5.274 1.00 0.94 O ATOM 411 CB ILE A 28 -9.908 9.513 4.584 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.898 9.977 3.136 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.229 8.835 4.887 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.915 8.811 2.175 1.00 0.95 C ATOM 0 H ILE A 28 -9.030 9.154 6.855 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.971 11.392 5.081 1.00 0.83 H new ATOM 0 HB ILE A 28 -9.099 8.796 4.723 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.764 10.613 2.952 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.012 10.585 2.955 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.391 8.021 4.181 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.209 8.437 5.901 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -12.039 9.559 4.797 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.907 9.184 1.151 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.035 8.189 2.342 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.815 8.218 2.338 1.00 0.95 H new ATOM 426 N ARG A 29 -11.628 10.957 6.952 1.00 0.93 N ATOM 427 CA ARG A 29 -12.843 11.620 7.416 1.00 1.04 C ATOM 428 C ARG A 29 -12.481 12.933 8.085 1.00 1.08 C ATOM 429 O ARG A 29 -13.211 13.917 8.003 1.00 1.17 O ATOM 430 CB ARG A 29 -13.603 10.745 8.408 1.00 1.16 C ATOM 431 CG ARG A 29 -14.080 9.432 7.828 1.00 1.33 C ATOM 432 CD ARG A 29 -14.889 8.644 8.844 1.00 1.58 C ATOM 433 NE ARG A 29 -14.149 8.408 10.085 1.00 2.13 N ATOM 434 CZ ARG A 29 -14.724 8.306 11.284 1.00 2.85 C ATOM 435 NH1 ARG A 29 -16.044 8.426 11.403 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.984 8.099 12.370 1.00 3.56 N ATOM 0 H ARG A 29 -11.371 10.126 7.484 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.483 11.801 6.552 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.960 10.540 9.264 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.464 11.300 8.782 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.688 9.622 6.943 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.223 8.841 7.505 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.809 9.184 9.070 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.179 7.687 8.410 1.00 1.58 H new ATOM 0 HE ARG A 29 -13.135 8.316 10.029 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -16.617 8.596 10.577 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -16.483 8.348 12.321 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -12.971 8.017 12.289 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -14.430 8.022 13.284 1.00 3.56 H new ATOM 450 N HIS A 30 -11.331 12.936 8.744 1.00 1.05 N ATOM 451 CA HIS A 30 -10.810 14.129 9.377 1.00 1.13 C ATOM 452 C HIS A 30 -10.094 14.998 8.351 1.00 1.15 C ATOM 453 O HIS A 30 -9.323 15.891 8.702 1.00 1.32 O ATOM 454 CB HIS A 30 -9.864 13.763 10.504 1.00 1.23 C ATOM 455 CG HIS A 30 -10.514 13.122 11.682 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.825 11.783 11.760 1.00 2.44 N ATOM 457 CD2 HIS A 30 -10.899 13.661 12.839 1.00 2.01 C ATOM 458 CE1 HIS A 30 -11.380 11.533 12.931 1.00 2.88 C ATOM 459 NE2 HIS A 30 -11.439 12.662 13.609 1.00 2.60 N ATOM 0 H HIS A 30 -10.738 12.113 8.852 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.645 14.692 9.795 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.102 13.088 10.115 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.351 14.665 10.836 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -10.654 11.093 11.028 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -10.803 14.699 13.120 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -11.726 10.569 13.275 1.00 2.88 H new ATOM 468 N SER A 31 -10.329 14.704 7.082 1.00 1.07 N ATOM 469 CA SER A 31 -9.723 15.450 5.998 1.00 1.19 C ATOM 470 C SER A 31 -10.809 16.006 5.074 1.00 1.32 C ATOM 471 O SER A 31 -10.926 17.221 4.906 1.00 1.76 O ATOM 472 CB SER A 31 -8.752 14.548 5.227 1.00 1.15 C ATOM 473 OG SER A 31 -8.081 15.257 4.198 1.00 1.50 O ATOM 0 H SER A 31 -10.941 13.947 6.779 1.00 1.07 H new ATOM 0 HA SER A 31 -9.161 16.291 6.405 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.020 14.128 5.917 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.299 13.710 4.794 1.00 1.15 H new ATOM 0 HG SER A 31 -7.469 14.652 3.729 1.00 1.50 H new ATOM 706 N TYR A 48 -17.877 4.713 2.506 1.00 1.05 N ATOM 707 CA TYR A 48 -18.105 6.145 2.447 1.00 1.04 C ATOM 708 C TYR A 48 -17.726 6.710 1.089 1.00 0.91 C ATOM 709 O TYR A 48 -17.066 6.050 0.287 1.00 0.86 O ATOM 710 CB TYR A 48 -17.317 6.855 3.549 1.00 1.16 C ATOM 711 CG TYR A 48 -15.826 6.673 3.456 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.243 5.443 3.729 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.004 7.730 3.099 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.880 5.268 3.647 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.638 7.565 3.014 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.081 6.329 3.290 1.00 1.96 C ATOM 717 OH TYR A 48 -11.718 6.155 3.203 1.00 2.54 O ATOM 0 HA TYR A 48 -19.170 6.319 2.601 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.545 7.920 3.514 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.657 6.488 4.517 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.869 4.609 4.010 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.439 8.695 2.885 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.441 4.305 3.861 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -13.007 8.395 2.734 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.463 6.036 2.264 1.00 2.54 H new ATOM 727 N GLN A 49 -18.156 7.933 0.842 1.00 1.01 N ATOM 728 CA GLN A 49 -17.746 8.669 -0.338 1.00 1.00 C ATOM 729 C GLN A 49 -16.965 9.883 0.113 1.00 1.11 C ATOM 730 O GLN A 49 -17.140 10.350 1.240 1.00 1.34 O ATOM 731 CB GLN A 49 -18.955 9.111 -1.168 1.00 1.16 C ATOM 732 CG GLN A 49 -19.732 7.972 -1.800 1.00 1.18 C ATOM 733 CD GLN A 49 -20.911 8.461 -2.627 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.511 9.495 -2.323 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.231 7.746 -3.692 1.00 1.96 N ATOM 0 H GLN A 49 -18.797 8.442 1.451 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.132 8.025 -0.968 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.628 9.684 -0.530 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.614 9.783 -1.956 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.064 7.389 -2.434 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.093 7.304 -1.018 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -20.711 6.896 -3.911 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -21.998 8.044 -4.295 1.00 1.96 H new ATOM 744 N VAL A 50 -16.096 10.387 -0.737 1.00 1.04 N ATOM 745 CA VAL A 50 -15.319 11.548 -0.396 1.00 1.18 C ATOM 746 C VAL A 50 -15.528 12.673 -1.384 1.00 1.28 C ATOM 747 O VAL A 50 -15.470 12.475 -2.600 1.00 1.38 O ATOM 748 CB VAL A 50 -13.826 11.215 -0.325 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.503 10.542 0.992 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.405 10.347 -1.502 1.00 1.59 C ATOM 0 H VAL A 50 -15.914 10.008 -1.666 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.664 11.874 0.585 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.260 12.145 -0.384 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.439 10.310 1.031 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.759 11.210 1.814 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.079 9.621 1.081 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.340 10.125 -1.428 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.972 9.416 -1.489 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.601 10.878 -2.434 1.00 1.59 H new ATOM 860 N ILE A 57 -15.755 9.763 -5.745 1.00 1.14 N ATOM 861 CA ILE A 57 -15.049 8.568 -5.295 1.00 0.88 C ATOM 862 C ILE A 57 -15.837 7.846 -4.213 1.00 0.85 C ATOM 863 O ILE A 57 -15.966 8.334 -3.085 1.00 0.97 O ATOM 864 CB ILE A 57 -13.633 8.871 -4.764 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.808 9.622 -5.815 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.940 7.569 -4.373 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.404 9.954 -5.358 1.00 0.86 C ATOM 0 HA ILE A 57 -14.950 7.932 -6.174 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.718 9.508 -3.884 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.753 9.019 -6.721 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.324 10.546 -6.078 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.940 7.787 -3.998 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.517 7.069 -3.596 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.867 6.920 -5.245 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.879 10.485 -6.152 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.450 10.584 -4.469 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.871 9.033 -5.123 1.00 0.86 H new ATOM 879 N THR A 58 -16.376 6.697 -4.572 1.00 0.80 N ATOM 880 CA THR A 58 -17.076 5.848 -3.629 1.00 0.80 C ATOM 881 C THR A 58 -16.147 4.740 -3.157 1.00 0.73 C ATOM 882 O THR A 58 -15.768 3.870 -3.939 1.00 0.85 O ATOM 883 CB THR A 58 -18.334 5.230 -4.269 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.136 6.263 -4.855 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.158 4.470 -3.236 1.00 1.28 C ATOM 0 H THR A 58 -16.341 6.327 -5.522 1.00 0.80 H new ATOM 0 HA THR A 58 -17.387 6.458 -2.781 1.00 0.80 H new ATOM 0 HB THR A 58 -18.015 4.528 -5.039 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.846 5.859 -5.396 1.00 1.11 H new ATOM 0 HG21 THR A 58 -20.040 4.044 -3.715 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.555 3.669 -2.808 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.469 5.152 -2.445 1.00 1.28 H new ATOM 893 N PHE A 59 -15.767 4.779 -1.890 1.00 0.65 N ATOM 894 CA PHE A 59 -14.814 3.814 -1.363 1.00 0.64 C ATOM 895 C PHE A 59 -15.506 2.539 -0.910 1.00 0.73 C ATOM 896 O PHE A 59 -16.379 2.568 -0.046 1.00 0.83 O ATOM 897 CB PHE A 59 -14.011 4.411 -0.206 1.00 0.64 C ATOM 898 CG PHE A 59 -12.923 5.350 -0.645 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.840 4.879 -1.368 1.00 0.75 C ATOM 900 CD2 PHE A 59 -12.973 6.698 -0.325 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.832 5.733 -1.768 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.967 7.555 -0.723 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.895 7.072 -1.445 1.00 0.70 C ATOM 0 H PHE A 59 -16.101 5.463 -1.211 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.129 3.563 -2.173 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.691 4.943 0.460 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.567 3.601 0.373 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.783 3.831 -1.622 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.808 7.082 0.242 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -9.994 5.353 -2.334 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -12.019 8.604 -0.469 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.107 7.741 -1.757 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.105 0.419 -8.950 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.813 0.878 -8.453 1.00 0.55 C ATOM 1223 C ILE A 81 -9.427 0.156 -7.170 1.00 0.47 C ATOM 1224 O ILE A 81 -10.107 0.291 -6.160 1.00 0.63 O ATOM 1225 CB ILE A 81 -9.856 2.402 -8.193 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.122 3.149 -9.498 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.566 2.887 -7.557 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.053 2.920 -10.538 1.00 0.73 C ATOM 0 HA ILE A 81 -9.064 0.655 -9.213 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.669 2.606 -7.496 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.085 2.835 -9.900 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.196 4.216 -9.290 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.626 3.962 -7.386 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.415 2.376 -6.606 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.729 2.671 -8.221 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.299 3.477 -11.442 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.092 3.260 -10.153 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.995 1.857 -10.772 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.337 -0.605 -7.202 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.890 -1.325 -6.024 1.00 0.30 C ATOM 1242 C VAL A 82 -6.799 -0.569 -5.289 1.00 0.25 C ATOM 1243 O VAL A 82 -5.656 -0.533 -5.732 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.341 -2.706 -6.389 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.825 -3.397 -5.143 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.410 -3.539 -7.083 1.00 1.19 C ATOM 0 H VAL A 82 -7.753 -0.736 -8.028 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.764 -1.429 -5.381 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.511 -2.590 -7.086 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.435 -4.380 -5.407 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.030 -2.799 -4.698 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.638 -3.510 -4.426 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.002 -4.518 -7.335 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.264 -3.663 -6.417 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.730 -3.034 -7.994 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.141 0.017 -4.161 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.150 0.693 -3.346 1.00 0.25 C ATOM 1258 C ILE A 83 -5.554 -0.278 -2.366 1.00 0.27 C ATOM 1259 O ILE A 83 -6.200 -0.664 -1.401 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.753 1.843 -2.531 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.602 2.730 -3.417 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.656 2.650 -1.848 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.802 3.584 -4.375 1.00 1.32 C ATOM 0 H ILE A 83 -8.090 0.040 -3.788 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.401 1.092 -4.031 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.393 1.420 -1.757 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.289 2.106 -3.989 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.211 3.380 -2.788 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.104 3.461 -1.275 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.091 2.002 -1.178 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -4.987 3.065 -2.602 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.480 4.191 -4.975 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.135 4.236 -3.811 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.214 2.942 -5.031 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.339 -0.668 -2.615 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.648 -1.564 -1.715 1.00 0.27 C ATOM 1277 C LEU A 84 -2.823 -0.774 -0.696 1.00 0.27 C ATOM 1278 O LEU A 84 -2.009 0.061 -1.075 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.730 -2.465 -2.508 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.013 -3.501 -1.687 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -2.891 -4.728 -1.546 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -0.679 -3.814 -2.323 1.00 1.33 C ATOM 0 H LEU A 84 -3.800 -0.384 -3.433 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.388 -2.161 -1.182 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.313 -2.970 -3.278 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.990 -1.849 -3.020 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.814 -3.124 -0.684 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.373 -5.480 -0.951 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -3.823 -4.454 -1.052 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.110 -5.134 -2.534 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.159 -4.565 -1.728 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -0.837 -4.196 -3.331 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.076 -2.907 -2.369 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.021 -1.029 0.589 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.275 -0.315 1.625 1.00 0.28 C ATOM 1296 C VAL A 85 -1.130 -1.159 2.194 1.00 0.27 C ATOM 1297 O VAL A 85 -1.270 -2.366 2.393 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.195 0.136 2.785 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.421 0.959 3.809 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.381 0.928 2.252 1.00 1.20 C ATOM 0 H VAL A 85 -3.685 -1.718 0.941 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.855 0.565 1.139 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.571 -0.758 3.283 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.091 1.263 4.613 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.610 0.358 4.220 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.008 1.845 3.327 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.016 1.236 3.083 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.021 1.811 1.724 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -4.956 0.305 1.567 1.00 1.20 H new ATOM 1310 N VAL A 86 0.000 -0.499 2.445 1.00 0.25 N ATOM 1311 CA VAL A 86 1.157 -1.113 3.097 1.00 0.27 C ATOM 1312 C VAL A 86 1.690 -0.159 4.160 1.00 0.24 C ATOM 1313 O VAL A 86 1.119 0.911 4.368 1.00 0.26 O ATOM 1314 CB VAL A 86 2.292 -1.444 2.101 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.882 -2.561 1.158 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.703 -0.209 1.314 1.00 0.95 C ATOM 0 H VAL A 86 0.140 0.481 2.201 1.00 0.25 H new ATOM 0 HA VAL A 86 0.826 -2.052 3.541 1.00 0.27 H new ATOM 0 HB VAL A 86 3.151 -1.784 2.679 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.699 -2.773 0.468 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.651 -3.457 1.734 1.00 1.12 H new ATOM 0 HG13 VAL A 86 1.001 -2.256 0.594 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.503 -0.469 0.621 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.846 0.168 0.755 1.00 0.95 H new ATOM 0 HG23 VAL A 86 3.055 0.560 2.002 1.00 0.95 H new ATOM 1326 N ALA A 87 2.778 -0.519 4.827 1.00 0.28 N ATOM 1327 CA ALA A 87 3.323 0.345 5.864 1.00 0.32 C ATOM 1328 C ALA A 87 4.830 0.192 6.031 1.00 0.46 C ATOM 1329 O ALA A 87 5.335 -0.916 6.198 1.00 0.75 O ATOM 1330 CB ALA A 87 2.623 0.087 7.189 1.00 0.42 C ATOM 0 H ALA A 87 3.292 -1.386 4.673 1.00 0.28 H new ATOM 0 HA ALA A 87 3.140 1.371 5.545 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.041 0.740 7.955 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.557 0.289 7.083 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.768 -0.953 7.481 1.00 0.42 H new ATOM 1336 N ALA A 88 5.519 1.335 5.959 1.00 0.37 N ATOM 1337 CA ALA A 88 6.941 1.465 6.324 1.00 0.59 C ATOM 1338 C ALA A 88 7.828 0.320 5.823 1.00 0.53 C ATOM 1339 O ALA A 88 8.160 0.252 4.637 1.00 1.14 O ATOM 1340 CB ALA A 88 7.069 1.617 7.831 1.00 1.18 C ATOM 0 H ALA A 88 5.103 2.210 5.642 1.00 0.37 H new ATOM 0 HA ALA A 88 7.308 2.358 5.818 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.121 1.713 8.099 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.530 2.507 8.154 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.648 0.740 8.322 1.00 1.18 H new ATOM 1346 N ASP A 89 8.207 -0.572 6.734 1.00 0.56 N ATOM 1347 CA ASP A 89 9.158 -1.636 6.428 1.00 0.93 C ATOM 1348 C ASP A 89 8.479 -2.992 6.462 1.00 0.85 C ATOM 1349 O ASP A 89 9.073 -4.003 6.084 1.00 1.24 O ATOM 1350 CB ASP A 89 10.319 -1.624 7.426 1.00 1.44 C ATOM 1351 CG ASP A 89 9.910 -2.096 8.812 1.00 1.68 C ATOM 1352 OD1 ASP A 89 9.281 -1.311 9.555 1.00 1.90 O ATOM 1353 OD2 ASP A 89 10.204 -3.258 9.168 1.00 2.01 O ATOM 0 H ASP A 89 7.868 -0.578 7.696 1.00 0.56 H new ATOM 0 HA ASP A 89 9.545 -1.458 5.425 1.00 0.93 H new ATOM 0 HB2 ASP A 89 11.120 -2.261 7.052 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.722 -0.614 7.496 1.00 1.44 H new ATOM 1358 N ASP A 90 7.235 -3.008 6.924 1.00 0.48 N ATOM 1359 CA ASP A 90 6.470 -4.241 7.003 1.00 0.46 C ATOM 1360 C ASP A 90 6.275 -4.797 5.607 1.00 0.45 C ATOM 1361 O ASP A 90 6.354 -6.005 5.379 1.00 0.69 O ATOM 1362 CB ASP A 90 5.108 -3.998 7.654 1.00 0.52 C ATOM 1363 CG ASP A 90 4.566 -5.233 8.329 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.918 -5.475 9.493 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.786 -5.977 7.695 1.00 1.09 O ATOM 0 H ASP A 90 6.736 -2.180 7.249 1.00 0.48 H new ATOM 0 HA ASP A 90 7.020 -4.955 7.616 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.196 -3.196 8.387 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.401 -3.661 6.896 1.00 0.52 H new ATOM 1370 N GLY A 91 6.047 -3.887 4.671 1.00 0.36 N ATOM 1371 CA GLY A 91 5.914 -4.268 3.288 1.00 0.36 C ATOM 1372 C GLY A 91 4.555 -4.833 2.977 1.00 0.35 C ATOM 1373 O GLY A 91 3.547 -4.424 3.555 1.00 0.52 O ATOM 0 H GLY A 91 5.952 -2.887 4.851 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.097 -3.399 2.655 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.677 -5.007 3.043 1.00 0.36 H new ATOM 1377 N VAL A 92 4.540 -5.763 2.054 1.00 0.38 N ATOM 1378 CA VAL A 92 3.339 -6.429 1.643 1.00 0.37 C ATOM 1379 C VAL A 92 3.090 -7.650 2.530 1.00 0.36 C ATOM 1380 O VAL A 92 3.741 -8.682 2.375 1.00 0.47 O ATOM 1381 CB VAL A 92 3.491 -6.844 0.170 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.315 -7.670 -0.287 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.653 -5.618 -0.715 1.00 1.06 C ATOM 0 H VAL A 92 5.376 -6.080 1.563 1.00 0.38 H new ATOM 0 HA VAL A 92 2.483 -5.762 1.744 1.00 0.37 H new ATOM 0 HB VAL A 92 4.388 -7.458 0.085 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.450 -7.949 -1.332 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.244 -8.571 0.323 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.399 -7.088 -0.182 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.759 -5.931 -1.754 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.775 -4.979 -0.616 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.541 -5.064 -0.410 1.00 1.06 H new ATOM 1393 N MET A 93 2.189 -7.501 3.498 1.00 0.29 N ATOM 1394 CA MET A 93 1.793 -8.610 4.363 1.00 0.31 C ATOM 1395 C MET A 93 0.958 -9.632 3.608 1.00 0.31 C ATOM 1396 O MET A 93 0.524 -9.366 2.489 1.00 0.31 O ATOM 1397 CB MET A 93 1.001 -8.099 5.558 1.00 0.36 C ATOM 1398 CG MET A 93 1.852 -7.887 6.790 1.00 0.67 C ATOM 1399 SD MET A 93 0.857 -7.710 8.271 1.00 1.32 S ATOM 1400 CE MET A 93 -0.130 -9.193 8.137 1.00 0.65 C ATOM 0 H MET A 93 1.718 -6.620 3.704 1.00 0.29 H new ATOM 0 HA MET A 93 2.706 -9.093 4.710 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.519 -7.159 5.291 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.207 -8.809 5.790 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.533 -8.729 6.909 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.466 -6.997 6.657 1.00 0.67 H new ATOM 0 HE1 MET A 93 -0.726 -9.317 9.041 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.792 -9.113 7.275 1.00 0.65 H new ATOM 0 HE3 MET A 93 0.525 -10.056 8.013 1.00 0.65 H new ATOM 1410 N PRO A 94 0.732 -10.820 4.192 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.150 -11.830 3.605 1.00 0.42 C ATOM 1412 C PRO A 94 -1.479 -11.246 3.149 1.00 0.39 C ATOM 1413 O PRO A 94 -1.961 -11.576 2.065 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.361 -12.819 4.749 1.00 0.52 C ATOM 1415 CG PRO A 94 0.885 -12.726 5.556 1.00 0.61 C ATOM 1416 CD PRO A 94 1.353 -11.299 5.446 1.00 0.46 C ATOM 0 HA PRO A 94 0.281 -12.278 2.710 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.238 -12.559 5.342 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.517 -13.831 4.375 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.696 -12.994 6.595 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.643 -13.414 5.182 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.033 -10.706 6.303 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.440 -11.237 5.403 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.052 -10.354 3.955 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.303 -9.722 3.619 1.00 0.43 C ATOM 1426 C GLN A 95 -3.132 -8.839 2.396 1.00 0.36 C ATOM 1427 O GLN A 95 -3.963 -8.845 1.488 1.00 0.39 O ATOM 1428 CB GLN A 95 -3.779 -8.917 4.812 1.00 0.53 C ATOM 1429 CG GLN A 95 -3.826 -9.753 6.073 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.235 -10.180 6.433 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.942 -9.501 7.179 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.663 -11.306 5.886 1.00 1.47 N ATOM 0 H GLN A 95 -1.658 -10.059 4.848 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.050 -10.478 3.378 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.115 -8.066 4.965 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -4.771 -8.514 4.606 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -3.204 -10.638 5.942 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.400 -9.183 6.899 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.048 -11.841 5.273 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.608 -11.639 6.077 1.00 1.47 H new ATOM 1441 N THR A 96 -2.023 -8.110 2.366 1.00 0.33 N ATOM 1442 CA THR A 96 -1.692 -7.259 1.245 1.00 0.31 C ATOM 1443 C THR A 96 -1.545 -8.097 -0.026 1.00 0.29 C ATOM 1444 O THR A 96 -1.842 -7.649 -1.131 1.00 0.34 O ATOM 1445 CB THR A 96 -0.381 -6.513 1.537 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.367 -6.078 2.906 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.231 -5.316 0.627 1.00 0.46 C ATOM 0 H THR A 96 -1.334 -8.096 3.118 1.00 0.33 H new ATOM 0 HA THR A 96 -2.493 -6.535 1.096 1.00 0.31 H new ATOM 0 HB THR A 96 0.451 -7.194 1.357 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.108 -5.134 2.947 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.704 -4.803 0.852 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.223 -5.647 -0.411 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.066 -4.633 0.783 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.114 -9.334 0.165 1.00 0.33 N ATOM 1456 CA VAL A 97 -0.907 -10.271 -0.914 1.00 0.39 C ATOM 1457 C VAL A 97 -2.228 -10.871 -1.400 1.00 0.34 C ATOM 1458 O VAL A 97 -2.534 -10.831 -2.591 1.00 0.37 O ATOM 1459 CB VAL A 97 0.029 -11.397 -0.430 1.00 0.60 C ATOM 1460 CG1 VAL A 97 0.052 -12.557 -1.394 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.432 -10.864 -0.220 1.00 1.05 C ATOM 0 H VAL A 97 -0.897 -9.714 1.086 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.457 -9.738 -1.751 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.361 -11.762 0.520 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.723 -13.330 -1.018 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -0.953 -12.967 -1.495 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.403 -12.214 -2.367 1.00 1.00 H new ATOM 0 HG21 VAL A 97 2.080 -11.671 0.122 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.814 -10.465 -1.160 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.412 -10.073 0.529 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.015 -11.416 -0.473 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.264 -12.091 -0.816 1.00 0.40 C ATOM 1473 C GLU A 98 -5.281 -11.125 -1.410 1.00 0.34 C ATOM 1474 O GLU A 98 -6.083 -11.501 -2.267 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.855 -12.776 0.416 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.946 -11.900 1.656 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.373 -12.672 2.893 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -6.569 -13.011 3.007 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.514 -12.941 3.763 1.00 1.62 O ATOM 0 H GLU A 98 -2.807 -11.402 0.526 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.033 -12.843 -1.571 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.854 -13.136 0.169 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -4.250 -13.652 0.652 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.977 -11.436 1.839 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -5.656 -11.093 1.474 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.232 -9.887 -0.956 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.122 -8.852 -1.465 1.00 0.27 C ATOM 1488 C ALA A 99 -5.791 -8.573 -2.919 1.00 0.25 C ATOM 1489 O ALA A 99 -6.670 -8.460 -3.767 1.00 0.34 O ATOM 1490 CB ALA A 99 -5.994 -7.584 -0.634 1.00 0.31 C ATOM 0 H ALA A 99 -4.585 -9.570 -0.234 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.153 -9.198 -1.394 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.666 -6.821 -1.028 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.257 -7.799 0.402 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.967 -7.221 -0.679 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.503 -8.506 -3.194 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.002 -8.312 -4.540 1.00 0.24 C ATOM 1498 C ILE A 100 -4.281 -9.536 -5.403 1.00 0.28 C ATOM 1499 O ILE A 100 -4.707 -9.418 -6.543 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.495 -8.013 -4.483 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.247 -6.528 -4.720 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.697 -8.870 -5.454 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.796 -6.128 -4.606 1.00 0.38 C ATOM 0 H ILE A 100 -3.772 -8.585 -2.487 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.516 -7.466 -4.995 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.143 -8.273 -3.485 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.611 -6.262 -5.712 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.831 -5.952 -4.002 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.639 -8.620 -5.375 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.840 -9.923 -5.212 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.039 -8.681 -6.472 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.698 -5.058 -4.787 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.432 -6.361 -3.605 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.209 -6.676 -5.343 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.037 -10.708 -4.840 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.340 -11.969 -5.501 1.00 0.38 C ATOM 1517 C ASN A 101 -5.815 -12.047 -5.862 1.00 0.37 C ATOM 1518 O ASN A 101 -6.202 -12.720 -6.817 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.947 -13.146 -4.603 1.00 0.46 C ATOM 1520 CG ASN A 101 -2.460 -13.436 -4.647 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -1.777 -13.102 -5.618 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -1.954 -14.086 -3.611 1.00 1.55 N ATOM 0 H ASN A 101 -3.624 -10.813 -3.913 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.760 -12.022 -6.422 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -4.242 -12.930 -3.576 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.497 -14.035 -4.912 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -0.964 -14.329 -3.596 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.554 -14.344 -2.828 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.635 -11.344 -5.096 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.055 -11.252 -5.382 1.00 0.38 C ATOM 1531 C HIS A 102 -8.325 -10.131 -6.379 1.00 0.38 C ATOM 1532 O HIS A 102 -9.185 -10.259 -7.250 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.845 -11.013 -4.092 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.288 -11.386 -4.216 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.897 -12.320 -3.412 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.235 -10.965 -5.078 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.151 -12.464 -3.781 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.386 -11.650 -4.790 1.00 0.77 N ATOM 0 H HIS A 102 -6.338 -10.827 -4.268 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.380 -12.195 -5.821 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.394 -11.589 -3.284 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.769 -9.962 -3.815 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.109 -10.224 -5.853 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.867 -13.136 -3.333 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.277 -11.547 -5.276 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.568 -9.047 -6.267 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.840 -7.846 -7.048 1.00 0.38 C ATOM 1549 C ALA A 103 -7.250 -7.915 -8.450 1.00 0.40 C ATOM 1550 O ALA A 103 -7.940 -7.679 -9.436 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.283 -6.631 -6.333 1.00 0.43 C ATOM 0 H ALA A 103 -6.763 -8.974 -5.645 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.923 -7.769 -7.147 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.489 -5.737 -6.921 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.753 -6.538 -5.354 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.206 -6.744 -6.209 1.00 0.43 H new ATOM 1557 N LYS A 104 -5.977 -8.273 -8.524 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.192 -8.138 -9.743 1.00 0.51 C ATOM 1559 C LYS A 104 -5.744 -8.977 -10.895 1.00 0.50 C ATOM 1560 O LYS A 104 -5.414 -8.748 -12.058 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.749 -8.541 -9.435 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.501 -10.036 -9.471 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.190 -10.376 -8.795 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.863 -11.852 -8.921 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.540 -12.183 -8.330 1.00 2.56 N ATOM 0 H LYS A 104 -5.458 -8.666 -7.739 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.242 -7.099 -10.070 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.087 -8.057 -10.153 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.481 -8.163 -8.449 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.319 -10.558 -8.974 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.484 -10.382 -10.504 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -1.388 -9.786 -9.238 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.242 -10.103 -7.741 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.638 -12.438 -8.426 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.871 -12.136 -9.973 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -0.164 -13.041 -8.780 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 0.118 -11.393 -8.487 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.647 -12.347 -7.309 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.594 -9.941 -10.577 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.092 -10.863 -11.582 1.00 0.61 C ATOM 1581 C ALA A 105 -8.445 -10.436 -12.142 1.00 0.66 C ATOM 1582 O ALA A 105 -9.096 -11.200 -12.852 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.170 -12.271 -11.015 1.00 0.72 C ATOM 0 H ALA A 105 -6.951 -10.104 -9.636 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.385 -10.849 -12.411 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.545 -12.951 -11.780 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.177 -12.592 -10.700 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.844 -12.281 -10.158 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.875 -9.223 -11.825 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.108 -8.706 -12.395 1.00 0.70 C ATOM 1591 C ALA A 106 -9.788 -7.779 -13.559 1.00 0.72 C ATOM 1592 O ALA A 106 -10.683 -7.149 -14.120 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.939 -7.996 -11.340 1.00 0.75 C ATOM 0 H ALA A 106 -8.396 -8.588 -11.186 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.701 -9.541 -12.768 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.856 -7.619 -11.792 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.189 -8.695 -10.542 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.369 -7.164 -10.927 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.482 -7.693 -13.877 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.962 -6.949 -15.040 1.00 0.73 C ATOM 1601 C ASN A 107 -7.761 -5.497 -14.642 1.00 0.67 C ATOM 1602 O ASN A 107 -7.356 -4.644 -15.434 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.875 -7.128 -16.270 1.00 0.92 C ATOM 1604 CG ASN A 107 -9.481 -5.840 -16.819 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -8.953 -5.241 -17.760 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -10.594 -5.416 -16.240 1.00 2.06 N ATOM 0 H ASN A 107 -7.750 -8.143 -13.327 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.994 -7.349 -15.341 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.301 -7.608 -17.063 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.685 -7.809 -16.006 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -11.048 -4.564 -16.570 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -10.998 -5.941 -15.464 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.966 -5.278 -13.359 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.949 -3.957 -12.769 1.00 0.49 C ATOM 1615 C VAL A 108 -6.564 -3.601 -12.226 1.00 0.40 C ATOM 1616 O VAL A 108 -5.849 -4.463 -11.706 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.985 -3.879 -11.624 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.139 -5.221 -10.936 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.565 -2.849 -10.613 1.00 1.08 C ATOM 0 H VAL A 108 -8.152 -6.024 -12.688 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.203 -3.241 -13.551 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.943 -3.596 -12.060 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.874 -5.137 -10.135 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.474 -5.964 -11.659 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.180 -5.528 -10.518 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.303 -2.804 -9.812 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.595 -3.121 -10.198 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.493 -1.874 -11.095 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.163 -2.322 -12.368 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.933 -1.805 -11.775 1.00 0.35 C ATOM 1631 C PRO A 109 -4.994 -1.689 -10.253 1.00 0.30 C ATOM 1632 O PRO A 109 -6.067 -1.600 -9.644 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.781 -0.409 -12.379 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.736 -0.358 -13.515 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.852 -1.294 -13.160 1.00 0.48 C ATOM 0 HA PRO A 109 -4.102 -2.479 -11.982 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.006 0.363 -11.643 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.759 -0.238 -12.718 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.109 0.655 -13.665 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.253 -0.661 -14.444 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.633 -0.795 -12.586 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.327 -1.715 -14.046 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.822 -1.628 -9.647 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.715 -1.641 -8.195 1.00 0.25 C ATOM 1645 C ILE A 110 -2.873 -0.459 -7.712 1.00 0.23 C ATOM 1646 O ILE A 110 -1.990 0.023 -8.423 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.132 -2.994 -7.698 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.146 -4.122 -7.945 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.767 -2.936 -6.218 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -3.572 -5.509 -7.760 1.00 0.96 C ATOM 0 H ILE A 110 -2.929 -1.569 -10.136 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.714 -1.537 -7.771 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.220 -3.194 -8.260 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.990 -3.995 -7.267 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.536 -4.032 -8.959 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.363 -3.899 -5.905 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.019 -2.159 -6.058 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.658 -2.709 -5.632 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -4.346 -6.252 -7.951 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -2.747 -5.657 -8.457 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.208 -5.619 -6.738 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.169 0.018 -6.512 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.519 1.199 -5.967 1.00 0.25 C ATOM 1664 C ILE A 111 -1.854 0.828 -4.672 1.00 0.32 C ATOM 1665 O ILE A 111 -2.242 -0.135 -4.047 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.529 2.348 -5.709 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.161 2.814 -7.010 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.887 3.517 -4.984 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.369 2.005 -7.380 1.00 0.53 C ATOM 0 H ILE A 111 -3.863 -0.400 -5.892 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.789 1.554 -6.695 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.310 1.949 -5.062 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.443 3.863 -6.919 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.425 2.751 -7.812 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.630 4.298 -4.824 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.501 3.181 -4.022 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.068 3.912 -5.585 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.784 2.378 -8.317 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.084 0.960 -7.500 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.118 2.089 -6.593 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.835 1.556 -4.294 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.180 1.323 -3.048 1.00 0.20 C ATOM 1683 C VAL A 112 -0.291 2.536 -2.158 1.00 0.20 C ATOM 1684 O VAL A 112 -0.187 3.665 -2.624 1.00 0.23 O ATOM 1685 CB VAL A 112 1.294 1.028 -3.269 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.740 -0.057 -2.345 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.541 0.629 -4.707 1.00 0.22 C ATOM 0 H VAL A 112 -0.443 2.321 -4.843 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.663 0.469 -2.574 1.00 0.20 H new ATOM 0 HB VAL A 112 1.869 1.929 -3.058 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.798 -0.263 -2.509 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.588 0.259 -1.313 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.160 -0.960 -2.537 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.601 0.421 -4.850 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.961 -0.264 -4.942 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.239 1.442 -5.367 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.494 2.294 -0.887 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.483 3.341 0.095 1.00 0.21 C ATOM 1699 C ALA A 113 0.531 2.983 1.155 1.00 0.21 C ATOM 1700 O ALA A 113 0.224 2.309 2.134 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.863 3.531 0.703 1.00 0.25 C ATOM 0 H ALA A 113 -0.671 1.364 -0.507 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.209 4.286 -0.374 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.827 4.330 1.444 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.573 3.795 -0.081 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.180 2.605 1.183 1.00 0.25 H new ATOM 1707 N ILE A 114 1.749 3.407 0.911 1.00 0.21 N ATOM 1708 CA ILE A 114 2.846 3.203 1.838 1.00 0.24 C ATOM 1709 C ILE A 114 2.719 4.127 3.054 1.00 0.25 C ATOM 1710 O ILE A 114 3.153 5.276 3.008 1.00 0.30 O ATOM 1711 CB ILE A 114 4.191 3.475 1.140 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.270 2.732 -0.199 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.325 3.058 2.043 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.534 3.022 -0.983 1.00 0.85 C ATOM 0 H ILE A 114 2.012 3.906 0.061 1.00 0.21 H new ATOM 0 HA ILE A 114 2.807 2.167 2.175 1.00 0.24 H new ATOM 0 HB ILE A 114 4.271 4.543 0.936 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.206 1.660 -0.014 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.406 3.003 -0.806 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.276 3.252 1.546 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.278 3.627 2.972 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.241 1.994 2.264 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.519 2.462 -1.918 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.591 4.089 -1.200 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.403 2.725 -0.396 1.00 0.85 H new ATOM 1726 N ASN A 115 2.125 3.622 4.134 1.00 0.26 N ATOM 1727 CA ASN A 115 1.872 4.432 5.327 1.00 0.31 C ATOM 1728 C ASN A 115 3.122 4.525 6.200 1.00 0.37 C ATOM 1729 O ASN A 115 4.000 3.662 6.131 1.00 0.39 O ATOM 1730 CB ASN A 115 0.707 3.833 6.127 1.00 0.39 C ATOM 1731 CG ASN A 115 0.321 4.660 7.342 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.448 5.889 7.350 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.151 3.987 8.380 1.00 0.69 N ATOM 0 H ASN A 115 1.809 2.655 4.209 1.00 0.26 H new ATOM 0 HA ASN A 115 1.607 5.440 5.010 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.160 3.734 5.474 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.978 2.828 6.452 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -0.426 4.484 9.228 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.240 2.972 8.332 1.00 0.69 H new ATOM 1740 N LYS A 116 3.183 5.582 7.016 1.00 0.49 N ATOM 1741 CA LYS A 116 4.330 5.866 7.880 1.00 0.62 C ATOM 1742 C LYS A 116 5.595 6.032 7.033 1.00 0.57 C ATOM 1743 O LYS A 116 6.702 5.683 7.443 1.00 0.67 O ATOM 1744 CB LYS A 116 4.498 4.772 8.955 1.00 0.78 C ATOM 1745 CG LYS A 116 5.496 5.130 10.056 1.00 1.15 C ATOM 1746 CD LYS A 116 5.419 4.177 11.244 1.00 1.50 C ATOM 1747 CE LYS A 116 5.689 2.735 10.845 1.00 2.05 C ATOM 1748 NZ LYS A 116 5.786 1.844 12.031 1.00 2.61 N ATOM 0 H LYS A 116 2.432 6.268 7.095 1.00 0.49 H new ATOM 0 HA LYS A 116 4.151 6.803 8.407 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.528 4.572 9.409 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.821 3.849 8.472 1.00 0.78 H new ATOM 0 HG2 LYS A 116 6.506 5.114 9.646 1.00 1.15 H new ATOM 0 HG3 LYS A 116 5.306 6.148 10.397 1.00 1.15 H new ATOM 0 HD2 LYS A 116 6.141 4.484 12.000 1.00 1.50 H new ATOM 0 HD3 LYS A 116 4.431 4.247 11.700 1.00 1.50 H new ATOM 0 HE2 LYS A 116 4.892 2.383 10.190 1.00 2.05 H new ATOM 0 HE3 LYS A 116 6.616 2.683 10.274 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 5.971 0.869 11.719 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 6.563 2.164 12.643 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 4.892 1.874 12.562 1.00 2.61 H new ATOM 1762 N MET A 117 5.404 6.582 5.842 1.00 0.58 N ATOM 1763 CA MET A 117 6.489 6.783 4.894 1.00 0.69 C ATOM 1764 C MET A 117 7.168 8.133 5.118 1.00 0.81 C ATOM 1765 O MET A 117 8.325 8.325 4.744 1.00 1.03 O ATOM 1766 CB MET A 117 5.932 6.655 3.479 1.00 0.85 C ATOM 1767 CG MET A 117 6.497 7.638 2.474 1.00 0.81 C ATOM 1768 SD MET A 117 8.174 7.233 1.930 1.00 1.37 S ATOM 1769 CE MET A 117 7.922 5.644 1.142 1.00 0.65 C ATOM 0 H MET A 117 4.495 6.900 5.507 1.00 0.58 H new ATOM 0 HA MET A 117 7.255 6.022 5.042 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.122 5.643 3.121 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.850 6.781 3.518 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.841 7.674 1.605 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.498 8.635 2.914 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.440 5.627 0.183 1.00 0.65 H new ATOM 0 HE2 MET A 117 8.317 4.854 1.781 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.856 5.482 0.982 1.00 0.65 H new ATOM 1852 N ASN A 123 10.705 1.758 3.288 1.00 0.59 N ATOM 1853 CA ASN A 123 11.691 1.446 2.253 1.00 0.57 C ATOM 1854 C ASN A 123 10.998 0.897 1.028 1.00 0.46 C ATOM 1855 O ASN A 123 10.690 -0.292 0.923 1.00 0.52 O ATOM 1856 CB ASN A 123 12.746 0.457 2.766 1.00 0.85 C ATOM 1857 CG ASN A 123 13.775 0.108 1.697 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.623 -0.869 0.964 1.00 1.77 O ATOM 1859 ND2 ASN A 123 14.830 0.903 1.604 1.00 1.84 N ATOM 0 HA ASN A 123 12.207 2.368 1.985 1.00 0.57 H new ATOM 0 HB2 ASN A 123 13.253 0.885 3.630 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.253 -0.454 3.105 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.551 0.715 0.907 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.922 1.704 2.229 1.00 1.84 H new ATOM 1866 N PRO A 124 10.713 1.838 0.119 1.00 0.41 N ATOM 1867 CA PRO A 124 10.251 1.605 -1.241 1.00 0.47 C ATOM 1868 C PRO A 124 10.692 0.283 -1.867 1.00 0.42 C ATOM 1869 O PRO A 124 9.902 -0.644 -1.949 1.00 0.40 O ATOM 1870 CB PRO A 124 10.933 2.774 -1.923 1.00 0.66 C ATOM 1871 CG PRO A 124 10.655 3.896 -1.002 1.00 0.70 C ATOM 1872 CD PRO A 124 10.817 3.299 0.370 1.00 0.46 C ATOM 0 HA PRO A 124 9.166 1.537 -1.318 1.00 0.47 H new ATOM 0 HB2 PRO A 124 12.003 2.604 -2.043 1.00 0.66 H new ATOM 0 HB3 PRO A 124 10.526 2.956 -2.917 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.348 4.722 -1.161 1.00 0.70 H new ATOM 0 HG3 PRO A 124 9.650 4.291 -1.148 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.777 3.564 0.814 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.043 3.646 1.054 1.00 0.46 H new ATOM 1880 N ASP A 125 11.956 0.208 -2.278 1.00 0.45 N ATOM 1881 CA ASP A 125 12.480 -0.917 -3.076 1.00 0.45 C ATOM 1882 C ASP A 125 12.007 -2.259 -2.557 1.00 0.38 C ATOM 1883 O ASP A 125 11.456 -3.057 -3.310 1.00 0.33 O ATOM 1884 CB ASP A 125 14.004 -0.910 -3.060 1.00 0.56 C ATOM 1885 CG ASP A 125 14.604 0.313 -3.723 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.848 0.271 -4.947 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.851 1.315 -3.020 1.00 2.00 O ATOM 0 H ASP A 125 12.653 0.923 -2.071 1.00 0.45 H new ATOM 0 HA ASP A 125 12.103 -0.782 -4.090 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.350 -0.962 -2.028 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.370 -1.804 -3.564 1.00 0.56 H new ATOM 1892 N ARG A 126 12.225 -2.499 -1.274 1.00 0.40 N ATOM 1893 CA ARG A 126 11.800 -3.738 -0.649 1.00 0.40 C ATOM 1894 C ARG A 126 10.325 -3.978 -0.912 1.00 0.34 C ATOM 1895 O ARG A 126 9.947 -4.909 -1.621 1.00 0.32 O ATOM 1896 CB ARG A 126 12.035 -3.668 0.859 1.00 0.47 C ATOM 1897 CG ARG A 126 11.386 -4.803 1.632 1.00 0.58 C ATOM 1898 CD ARG A 126 11.967 -6.151 1.252 1.00 1.25 C ATOM 1899 NE ARG A 126 11.452 -7.219 2.111 1.00 1.38 N ATOM 1900 CZ ARG A 126 12.133 -8.318 2.419 1.00 2.08 C ATOM 1901 NH1 ARG A 126 13.321 -8.543 1.875 1.00 2.99 N ATOM 1902 NH2 ARG A 126 11.613 -9.210 3.251 1.00 2.15 N ATOM 0 H ARG A 126 12.696 -1.849 -0.645 1.00 0.40 H new ATOM 0 HA ARG A 126 12.381 -4.557 -1.072 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.108 -3.676 1.051 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.651 -2.719 1.234 1.00 0.47 H new ATOM 0 HG2 ARG A 126 11.521 -4.638 2.701 1.00 0.58 H new ATOM 0 HG3 ARG A 126 10.313 -4.804 1.443 1.00 0.58 H new ATOM 0 HD2 ARG A 126 11.727 -6.372 0.212 1.00 1.25 H new ATOM 0 HD3 ARG A 126 13.054 -6.114 1.327 1.00 1.25 H new ATOM 0 HE ARG A 126 10.514 -7.113 2.496 1.00 1.38 H new ATOM 0 HH11 ARG A 126 13.716 -7.871 1.217 1.00 2.99 H new ATOM 0 HH12 ARG A 126 13.840 -9.388 2.115 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.690 -9.053 3.655 1.00 2.15 H new ATOM 0 HH22 ARG A 126 12.136 -10.053 3.487 1.00 2.15 H new ATOM 1916 N VAL A 127 9.521 -3.092 -0.359 1.00 0.34 N ATOM 1917 CA VAL A 127 8.065 -3.188 -0.424 1.00 0.34 C ATOM 1918 C VAL A 127 7.577 -3.288 -1.867 1.00 0.31 C ATOM 1919 O VAL A 127 6.696 -4.084 -2.201 1.00 0.33 O ATOM 1920 CB VAL A 127 7.423 -1.952 0.236 1.00 0.37 C ATOM 1921 CG1 VAL A 127 5.906 -2.062 0.252 1.00 0.39 C ATOM 1922 CG2 VAL A 127 7.968 -1.753 1.642 1.00 0.40 C ATOM 0 H VAL A 127 9.856 -2.276 0.154 1.00 0.34 H new ATOM 0 HA VAL A 127 7.771 -4.092 0.109 1.00 0.34 H new ATOM 0 HB VAL A 127 7.685 -1.078 -0.360 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.482 -1.176 0.724 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.536 -2.141 -0.770 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.611 -2.948 0.814 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.503 -0.876 2.092 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.745 -2.632 2.247 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.047 -1.608 1.597 1.00 0.40 H new ATOM 1932 N MET A 128 8.181 -2.483 -2.720 1.00 0.28 N ATOM 1933 CA MET A 128 7.761 -2.368 -4.103 1.00 0.26 C ATOM 1934 C MET A 128 8.153 -3.602 -4.908 1.00 0.25 C ATOM 1935 O MET A 128 7.457 -3.979 -5.851 1.00 0.25 O ATOM 1936 CB MET A 128 8.374 -1.114 -4.734 1.00 0.25 C ATOM 1937 CG MET A 128 8.066 0.166 -3.974 1.00 0.27 C ATOM 1938 SD MET A 128 8.885 1.619 -4.659 1.00 0.30 S ATOM 1939 CE MET A 128 8.025 1.781 -6.213 1.00 0.29 C ATOM 0 H MET A 128 8.975 -1.892 -2.474 1.00 0.28 H new ATOM 0 HA MET A 128 6.674 -2.288 -4.119 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.455 -1.239 -4.793 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.008 -1.016 -5.756 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.989 0.331 -3.976 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.368 0.044 -2.934 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.685 2.242 -6.948 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.722 0.795 -6.566 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.142 2.405 -6.077 1.00 0.29 H new ATOM 1949 N GLN A 129 9.258 -4.243 -4.537 1.00 0.25 N ATOM 1950 CA GLN A 129 9.734 -5.391 -5.293 1.00 0.26 C ATOM 1951 C GLN A 129 8.997 -6.655 -4.890 1.00 0.29 C ATOM 1952 O GLN A 129 8.854 -7.576 -5.697 1.00 0.31 O ATOM 1953 CB GLN A 129 11.243 -5.577 -5.141 1.00 0.29 C ATOM 1954 CG GLN A 129 12.058 -4.644 -6.024 1.00 0.31 C ATOM 1955 CD GLN A 129 13.549 -4.798 -5.817 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.144 -4.129 -4.970 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.163 -5.677 -6.591 1.00 1.28 N ATOM 0 H GLN A 129 9.830 -3.991 -3.731 1.00 0.25 H new ATOM 0 HA GLN A 129 9.526 -5.194 -6.345 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.519 -5.413 -4.099 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.500 -6.609 -5.380 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.819 -4.839 -7.069 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.771 -3.613 -5.818 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.631 -6.210 -7.279 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.168 -5.822 -6.500 1.00 1.28 H new ATOM 1966 N GLU A 130 8.521 -6.703 -3.650 1.00 0.33 N ATOM 1967 CA GLU A 130 7.645 -7.792 -3.242 1.00 0.38 C ATOM 1968 C GLU A 130 6.400 -7.734 -4.094 1.00 0.33 C ATOM 1969 O GLU A 130 5.887 -8.752 -4.559 1.00 0.36 O ATOM 1970 CB GLU A 130 7.217 -7.681 -1.779 1.00 0.48 C ATOM 1971 CG GLU A 130 8.289 -7.166 -0.854 1.00 0.71 C ATOM 1972 CD GLU A 130 7.863 -7.195 0.600 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.006 -6.373 0.987 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.388 -8.024 1.367 1.00 1.46 O ATOM 0 H GLU A 130 8.722 -6.015 -2.924 1.00 0.33 H new ATOM 0 HA GLU A 130 8.192 -8.727 -3.365 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.352 -7.021 -1.715 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.895 -8.663 -1.432 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.190 -7.767 -0.977 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.546 -6.144 -1.134 1.00 0.71 H new ATOM 1981 N LEU A 131 5.932 -6.522 -4.334 1.00 0.29 N ATOM 1982 CA LEU A 131 4.699 -6.338 -4.989 1.00 0.29 C ATOM 1983 C LEU A 131 4.796 -6.701 -6.450 1.00 0.24 C ATOM 1984 O LEU A 131 3.954 -7.413 -6.987 1.00 0.25 O ATOM 1985 CB LEU A 131 4.363 -4.908 -4.851 1.00 0.32 C ATOM 1986 CG LEU A 131 3.032 -4.565 -5.374 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.145 -4.299 -4.203 1.00 0.34 C ATOM 1988 CD2 LEU A 131 3.201 -3.406 -6.288 1.00 1.06 C ATOM 0 H LEU A 131 6.410 -5.659 -4.073 1.00 0.29 H new ATOM 0 HA LEU A 131 3.935 -6.979 -4.549 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.413 -4.631 -3.798 1.00 0.32 H new ATOM 0 HB3 LEU A 131 5.114 -4.315 -5.373 1.00 0.32 H new ATOM 0 HG LEU A 131 2.565 -5.363 -5.951 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.146 -4.041 -4.554 1.00 0.34 H new ATOM 0 HD12 LEU A 131 2.090 -5.190 -3.578 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.550 -3.472 -3.620 1.00 0.34 H new ATOM 0 HD21 LEU A 131 2.232 -3.121 -6.697 1.00 1.06 H new ATOM 0 HD22 LEU A 131 3.623 -2.566 -5.736 1.00 1.06 H new ATOM 0 HD23 LEU A 131 3.873 -3.679 -7.102 1.00 1.06 H new ATOM 2000 N MET A 132 5.841 -6.210 -7.089 1.00 0.21 N ATOM 2001 CA MET A 132 6.083 -6.519 -8.481 1.00 0.22 C ATOM 2002 C MET A 132 6.428 -7.991 -8.632 1.00 0.26 C ATOM 2003 O MET A 132 6.493 -8.514 -9.742 1.00 0.32 O ATOM 2004 CB MET A 132 7.192 -5.635 -9.037 1.00 0.23 C ATOM 2005 CG MET A 132 8.590 -5.979 -8.551 1.00 0.26 C ATOM 2006 SD MET A 132 9.394 -7.195 -9.602 1.00 0.35 S ATOM 2007 CE MET A 132 8.982 -6.504 -11.202 1.00 0.32 C ATOM 0 H MET A 132 6.535 -5.595 -6.664 1.00 0.21 H new ATOM 0 HA MET A 132 5.178 -6.318 -9.054 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.176 -5.698 -10.125 1.00 0.23 H new ATOM 0 HB3 MET A 132 6.977 -4.599 -8.775 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.195 -5.073 -8.519 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.535 -6.362 -7.532 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.739 -6.795 -11.930 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.009 -6.879 -11.521 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.947 -5.417 -11.131 1.00 0.32 H new ATOM 2017 N GLU A 133 6.621 -8.662 -7.501 1.00 0.27 N ATOM 2018 CA GLU A 133 6.827 -10.088 -7.512 1.00 0.35 C ATOM 2019 C GLU A 133 5.483 -10.772 -7.694 1.00 0.34 C ATOM 2020 O GLU A 133 5.397 -11.866 -8.251 1.00 0.40 O ATOM 2021 CB GLU A 133 7.496 -10.555 -6.228 1.00 0.44 C ATOM 2022 CG GLU A 133 8.183 -11.888 -6.373 1.00 0.67 C ATOM 2023 CD GLU A 133 9.299 -11.841 -7.399 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.426 -11.443 -7.037 1.00 1.55 O ATOM 2025 OE2 GLU A 133 9.063 -12.227 -8.564 1.00 2.18 O ATOM 0 H GLU A 133 6.637 -8.235 -6.575 1.00 0.27 H new ATOM 0 HA GLU A 133 7.490 -10.350 -8.337 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.226 -9.809 -5.913 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.747 -10.622 -5.439 1.00 0.44 H new ATOM 0 HG2 GLU A 133 8.589 -12.194 -5.409 1.00 0.67 H new ATOM 0 HG3 GLU A 133 7.453 -12.643 -6.665 1.00 0.67 H new ATOM 2032 N TYR A 134 4.417 -10.108 -7.237 1.00 0.30 N ATOM 2033 CA TYR A 134 3.070 -10.569 -7.552 1.00 0.34 C ATOM 2034 C TYR A 134 2.691 -10.067 -8.941 1.00 0.36 C ATOM 2035 O TYR A 134 1.600 -10.330 -9.452 1.00 0.44 O ATOM 2036 CB TYR A 134 2.099 -10.140 -6.471 1.00 0.32 C ATOM 2037 CG TYR A 134 2.570 -10.623 -5.122 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.589 -11.979 -4.831 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.084 -9.744 -4.183 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.090 -12.445 -3.636 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.606 -10.202 -2.991 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.605 -11.557 -2.723 1.00 0.57 C ATOM 2043 OH TYR A 134 4.133 -12.033 -1.544 1.00 0.74 O ATOM 0 H TYR A 134 4.461 -9.268 -6.660 1.00 0.30 H new ATOM 0 HA TYR A 134 3.030 -11.658 -7.574 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.008 -9.054 -6.464 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.108 -10.541 -6.683 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.204 -12.682 -5.555 1.00 0.51 H new ATOM 0 HD2 TYR A 134 3.076 -8.684 -4.387 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.078 -13.503 -3.418 1.00 0.61 H new ATOM 0 HE2 TYR A 134 4.013 -9.506 -2.272 1.00 0.49 H new ATOM 0 HH TYR A 134 4.458 -11.282 -1.004 1.00 0.74 H new ATOM 2053 N ASN A 135 3.639 -9.312 -9.502 1.00 0.35 N ATOM 2054 CA ASN A 135 3.711 -8.975 -10.922 1.00 0.38 C ATOM 2055 C ASN A 135 2.714 -7.901 -11.279 1.00 0.42 C ATOM 2056 O ASN A 135 2.031 -7.950 -12.303 1.00 0.59 O ATOM 2057 CB ASN A 135 3.545 -10.215 -11.805 1.00 0.47 C ATOM 2058 CG ASN A 135 4.150 -10.023 -13.182 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.236 -9.262 -13.249 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 3.671 -10.575 -14.168 1.00 1.89 N flip ATOM 0 H ASN A 135 4.402 -8.906 -8.960 1.00 0.35 H new ATOM 0 HA ASN A 135 4.707 -8.576 -11.115 1.00 0.38 H new ATOM 0 HB2 ASN A 135 4.015 -11.070 -11.320 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.485 -10.448 -11.905 1.00 0.47 H new ATOM 0 HD21 ASN A 135 2.835 -11.152 -14.074 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.109 -10.457 -15.082 1.00 1.89 H new ATOM 2067 N LEU A 136 2.654 -6.930 -10.406 1.00 0.38 N ATOM 2068 CA LEU A 136 1.976 -5.701 -10.663 1.00 0.46 C ATOM 2069 C LEU A 136 3.007 -4.609 -10.470 1.00 0.39 C ATOM 2070 O LEU A 136 3.235 -4.106 -9.374 1.00 0.43 O ATOM 2071 CB LEU A 136 0.752 -5.533 -9.758 1.00 0.62 C ATOM 2072 CG LEU A 136 1.008 -5.565 -8.253 1.00 0.89 C ATOM 2073 CD1 LEU A 136 -0.014 -4.704 -7.541 1.00 1.68 C ATOM 2074 CD2 LEU A 136 0.936 -6.992 -7.730 1.00 1.44 C ATOM 0 H LEU A 136 3.085 -6.979 -9.483 1.00 0.38 H new ATOM 0 HA LEU A 136 1.574 -5.667 -11.676 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.274 -4.584 -10.003 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.038 -6.321 -10.000 1.00 0.62 H new ATOM 0 HG LEU A 136 2.007 -5.174 -8.060 1.00 0.89 H new ATOM 0 HD11 LEU A 136 0.173 -4.730 -6.467 1.00 1.68 H new ATOM 0 HD12 LEU A 136 0.063 -3.677 -7.898 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -1.015 -5.084 -7.744 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.121 -6.996 -6.656 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.054 -7.403 -7.929 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.689 -7.601 -8.230 1.00 1.44 H new ATOM 2086 N VAL A 137 3.712 -4.352 -11.544 1.00 0.33 N ATOM 2087 CA VAL A 137 4.862 -3.475 -11.523 1.00 0.27 C ATOM 2088 C VAL A 137 4.460 -2.049 -11.224 1.00 0.26 C ATOM 2089 O VAL A 137 3.522 -1.524 -11.809 1.00 0.27 O ATOM 2090 CB VAL A 137 5.626 -3.495 -12.857 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.049 -3.983 -12.637 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.901 -4.352 -13.887 1.00 0.49 C ATOM 0 H VAL A 137 3.506 -4.746 -12.462 1.00 0.33 H new ATOM 0 HA VAL A 137 5.513 -3.849 -10.733 1.00 0.27 H new ATOM 0 HB VAL A 137 5.669 -2.479 -13.250 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.581 -3.993 -13.588 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.559 -3.315 -11.943 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.028 -4.991 -12.222 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.462 -4.350 -14.822 1.00 0.49 H new ATOM 0 HG22 VAL A 137 4.818 -5.374 -13.516 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.904 -3.947 -14.061 1.00 0.49 H new ATOM 2102 N PRO A 138 5.166 -1.421 -10.289 1.00 0.25 N ATOM 2103 CA PRO A 138 4.993 -0.009 -9.973 1.00 0.27 C ATOM 2104 C PRO A 138 4.947 0.879 -11.201 1.00 0.30 C ATOM 2105 O PRO A 138 5.547 0.591 -12.237 1.00 0.29 O ATOM 2106 CB PRO A 138 6.235 0.320 -9.173 1.00 0.30 C ATOM 2107 CG PRO A 138 6.589 -0.947 -8.497 1.00 0.29 C ATOM 2108 CD PRO A 138 6.170 -2.059 -9.422 1.00 0.27 C ATOM 0 HA PRO A 138 4.049 0.163 -9.456 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.043 0.664 -9.819 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.043 1.114 -8.452 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.659 -0.993 -8.296 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.080 -1.029 -7.537 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.013 -2.442 -9.997 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.750 -2.902 -8.873 1.00 0.27 H new ATOM 2116 N GLU A 139 4.263 1.981 -11.037 1.00 0.35 N ATOM 2117 CA GLU A 139 4.082 2.957 -12.096 1.00 0.40 C ATOM 2118 C GLU A 139 5.389 3.708 -12.287 1.00 0.42 C ATOM 2119 O GLU A 139 5.724 4.148 -13.382 1.00 0.50 O ATOM 2120 CB GLU A 139 2.946 3.916 -11.731 1.00 0.47 C ATOM 2121 CG GLU A 139 2.055 4.295 -12.903 1.00 0.80 C ATOM 2122 CD GLU A 139 2.774 5.108 -13.956 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.985 6.320 -13.737 1.00 1.98 O ATOM 2124 OE2 GLU A 139 3.132 4.540 -15.004 1.00 2.01 O ATOM 0 H GLU A 139 3.809 2.235 -10.159 1.00 0.35 H new ATOM 0 HA GLU A 139 3.813 2.461 -13.028 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.333 3.458 -10.955 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.373 4.824 -11.305 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.660 3.388 -13.360 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.201 4.863 -12.534 1.00 0.80 H new ATOM 2131 N GLU A 140 6.118 3.830 -11.184 1.00 0.42 N ATOM 2132 CA GLU A 140 7.492 4.326 -11.190 1.00 0.44 C ATOM 2133 C GLU A 140 8.305 3.553 -12.213 1.00 0.43 C ATOM 2134 O GLU A 140 9.060 4.118 -12.999 1.00 0.51 O ATOM 2135 CB GLU A 140 8.157 4.098 -9.825 1.00 0.45 C ATOM 2136 CG GLU A 140 7.200 3.852 -8.680 1.00 0.75 C ATOM 2137 CD GLU A 140 6.186 4.959 -8.476 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.609 6.085 -8.138 1.00 1.14 O ATOM 2139 OE2 GLU A 140 4.977 4.710 -8.644 1.00 1.01 O ATOM 0 H GLU A 140 5.773 3.587 -10.256 1.00 0.42 H new ATOM 0 HA GLU A 140 7.462 5.390 -11.424 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.831 3.245 -9.904 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.769 4.968 -9.586 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.670 2.916 -8.857 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.773 3.725 -7.762 1.00 0.75 H new ATOM 2146 N TRP A 141 8.121 2.239 -12.179 1.00 0.35 N ATOM 2147 CA TRP A 141 8.954 1.327 -12.932 1.00 0.35 C ATOM 2148 C TRP A 141 8.375 1.095 -14.320 1.00 0.38 C ATOM 2149 O TRP A 141 9.092 0.702 -15.243 1.00 0.45 O ATOM 2150 CB TRP A 141 9.125 0.023 -12.171 1.00 0.32 C ATOM 2151 CG TRP A 141 9.509 0.215 -10.722 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.765 1.395 -10.078 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.662 -0.807 -9.737 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.041 1.175 -8.764 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.996 -0.176 -8.522 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.542 -2.191 -9.768 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.207 -0.895 -7.345 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.744 -2.907 -8.602 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.074 -2.259 -7.399 1.00 0.23 C ATOM 0 H TRP A 141 7.392 1.783 -11.630 1.00 0.35 H new ATOM 0 HA TRP A 141 9.941 1.772 -13.060 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.194 -0.541 -12.220 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.889 -0.579 -12.664 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.750 2.367 -10.548 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.247 1.895 -8.072 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.295 -2.700 -10.688 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.466 -0.395 -6.423 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.647 -3.982 -8.616 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.225 -2.844 -6.504 1.00 0.23 H new ATOM 2170 N GLY A 142 7.077 1.340 -14.471 1.00 0.35 N ATOM 2171 CA GLY A 142 6.491 1.354 -15.795 1.00 0.39 C ATOM 2172 C GLY A 142 5.429 0.298 -15.972 1.00 0.38 C ATOM 2173 O GLY A 142 5.081 -0.058 -17.098 1.00 0.45 O ATOM 0 H GLY A 142 6.428 1.527 -13.707 1.00 0.35 H new ATOM 0 HA2 GLY A 142 6.057 2.336 -15.986 1.00 0.39 H new ATOM 0 HA3 GLY A 142 7.275 1.203 -16.537 1.00 0.39 H new ATOM 2177 N GLY A 143 4.918 -0.209 -14.862 1.00 0.33 N ATOM 2178 CA GLY A 143 3.895 -1.226 -14.919 1.00 0.34 C ATOM 2179 C GLY A 143 2.505 -0.654 -14.795 1.00 0.37 C ATOM 2180 O GLY A 143 2.058 0.117 -15.646 1.00 0.50 O ATOM 0 H GLY A 143 5.196 0.068 -13.920 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.979 -1.769 -15.861 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.060 -1.948 -14.119 1.00 0.34 H new ATOM 2184 N ASP A 144 1.826 -1.016 -13.722 1.00 0.33 N ATOM 2185 CA ASP A 144 0.437 -0.639 -13.528 1.00 0.40 C ATOM 2186 C ASP A 144 0.091 -0.523 -12.046 1.00 0.30 C ATOM 2187 O ASP A 144 -1.060 -0.749 -11.641 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.495 -1.649 -14.210 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.077 -3.090 -13.978 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -0.333 -3.613 -12.868 1.00 1.30 O ATOM 2191 OD2 ASP A 144 0.503 -3.706 -14.890 1.00 1.19 O ATOM 0 H ASP A 144 2.218 -1.576 -12.965 1.00 0.33 H new ATOM 0 HA ASP A 144 0.295 0.340 -13.985 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.510 -1.506 -13.839 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.516 -1.450 -15.282 1.00 0.57 H new ATOM 2196 N THR A 145 1.071 -0.160 -11.228 1.00 0.25 N ATOM 2197 CA THR A 145 0.811 -0.020 -9.804 1.00 0.24 C ATOM 2198 C THR A 145 1.297 1.319 -9.259 1.00 0.24 C ATOM 2199 O THR A 145 2.496 1.558 -9.127 1.00 0.31 O ATOM 2200 CB THR A 145 1.437 -1.174 -9.013 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.032 -2.409 -9.607 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.987 -1.141 -7.560 1.00 0.28 C ATOM 0 H THR A 145 2.029 0.038 -11.517 1.00 0.25 H new ATOM 0 HA THR A 145 -0.271 -0.054 -9.678 1.00 0.24 H new ATOM 0 HB THR A 145 2.522 -1.076 -9.039 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.059 -2.412 -9.725 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.444 -1.969 -7.019 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.292 -0.198 -7.106 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.098 -1.232 -7.513 1.00 0.28 H new ATOM 2210 N ILE A 146 0.350 2.176 -8.931 1.00 0.26 N ATOM 2211 CA ILE A 146 0.646 3.525 -8.473 1.00 0.27 C ATOM 2212 C ILE A 146 1.039 3.520 -6.995 1.00 0.24 C ATOM 2213 O ILE A 146 0.210 3.257 -6.125 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.568 4.467 -8.698 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -0.754 4.783 -10.189 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.426 5.759 -7.905 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.213 3.608 -11.025 1.00 1.23 C ATOM 0 H ILE A 146 -0.646 1.960 -8.973 1.00 0.26 H new ATOM 0 HA ILE A 146 1.486 3.899 -9.058 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.453 3.941 -8.340 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.480 5.590 -10.289 1.00 0.48 H new ATOM 0 HG13 ILE A 146 0.190 5.152 -10.590 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.293 6.394 -8.086 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.361 5.528 -6.842 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.478 6.281 -8.219 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.319 3.920 -12.064 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -0.478 2.806 -10.960 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.174 3.251 -10.654 1.00 1.23 H new ATOM 2229 N PHE A 147 2.306 3.800 -6.722 1.00 0.23 N ATOM 2230 CA PHE A 147 2.815 3.817 -5.356 1.00 0.22 C ATOM 2231 C PHE A 147 2.639 5.185 -4.718 1.00 0.24 C ATOM 2232 O PHE A 147 3.227 6.175 -5.158 1.00 0.38 O ATOM 2233 CB PHE A 147 4.290 3.406 -5.321 1.00 0.23 C ATOM 2234 CG PHE A 147 4.476 1.920 -5.251 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.309 1.130 -6.375 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.792 1.308 -4.048 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.458 -0.239 -6.298 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.938 -0.064 -3.969 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.774 -0.834 -5.096 1.00 0.19 C ATOM 0 H PHE A 147 3.004 4.020 -7.432 1.00 0.23 H new ATOM 0 HA PHE A 147 2.235 3.095 -4.781 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.791 3.789 -6.210 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.771 3.869 -4.460 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.060 1.589 -7.320 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.926 1.911 -3.162 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.327 -0.846 -7.182 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.180 -0.530 -3.025 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.893 -1.906 -5.039 1.00 0.19 H new ATOM 2249 N CYS A 148 1.822 5.234 -3.682 1.00 0.25 N ATOM 2250 CA CYS A 148 1.607 6.453 -2.932 1.00 0.28 C ATOM 2251 C CYS A 148 2.362 6.368 -1.625 1.00 0.26 C ATOM 2252 O CYS A 148 2.102 5.491 -0.805 1.00 0.32 O ATOM 2253 CB CYS A 148 0.124 6.663 -2.651 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.897 6.713 -4.139 1.00 1.10 S ATOM 0 H CYS A 148 1.292 4.433 -3.340 1.00 0.25 H new ATOM 0 HA CYS A 148 1.968 7.297 -3.521 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.231 5.861 -2.004 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.004 7.596 -2.102 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.985 7.939 -4.564 1.00 1.10 H new ATOM 2260 N LYS A 149 3.315 7.254 -1.446 1.00 0.37 N ATOM 2261 CA LYS A 149 4.086 7.276 -0.226 1.00 0.38 C ATOM 2262 C LYS A 149 3.525 8.342 0.721 1.00 0.39 C ATOM 2263 O LYS A 149 3.972 9.488 0.754 1.00 0.47 O ATOM 2264 CB LYS A 149 5.574 7.469 -0.551 1.00 0.47 C ATOM 2265 CG LYS A 149 5.931 8.758 -1.272 1.00 0.64 C ATOM 2266 CD LYS A 149 7.368 8.713 -1.769 1.00 0.94 C ATOM 2267 CE LYS A 149 7.932 10.100 -2.024 1.00 1.57 C ATOM 2268 NZ LYS A 149 8.192 10.828 -0.755 1.00 2.44 N ATOM 0 H LYS A 149 3.574 7.967 -2.128 1.00 0.37 H new ATOM 0 HA LYS A 149 4.004 6.321 0.294 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.138 7.427 0.381 1.00 0.47 H new ATOM 0 HB3 LYS A 149 5.905 6.629 -1.162 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.254 8.910 -2.113 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.799 9.606 -0.600 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.989 8.200 -1.034 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.414 8.129 -2.688 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.858 10.018 -2.593 1.00 1.57 H new ATOM 0 HE3 LYS A 149 7.233 10.671 -2.635 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 8.801 11.650 -0.945 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.291 11.151 -0.349 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 8.667 10.193 -0.082 1.00 2.44 H new ATOM 2282 N LEU A 150 2.524 7.937 1.490 1.00 0.40 N ATOM 2283 CA LEU A 150 1.743 8.862 2.290 1.00 0.45 C ATOM 2284 C LEU A 150 1.991 8.695 3.785 1.00 0.45 C ATOM 2285 O LEU A 150 2.782 7.860 4.227 1.00 0.49 O ATOM 2286 CB LEU A 150 0.239 8.709 1.972 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.495 7.412 2.380 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.341 6.174 2.170 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.017 7.485 3.808 1.00 1.27 C ATOM 0 H LEU A 150 2.234 6.963 1.575 1.00 0.40 H new ATOM 0 HA LEU A 150 2.067 9.868 2.024 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.282 9.542 2.445 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.119 8.828 0.895 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.352 7.329 1.712 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.227 5.295 2.474 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.606 6.088 1.116 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.250 6.243 2.768 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.527 6.554 4.057 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.183 7.636 4.493 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.716 8.317 3.898 1.00 1.27 H new ATOM 2301 N SER A 151 1.295 9.511 4.546 1.00 0.49 N ATOM 2302 CA SER A 151 1.364 9.496 5.985 1.00 0.55 C ATOM 2303 C SER A 151 -0.014 9.785 6.554 1.00 0.57 C ATOM 2304 O SER A 151 -0.679 10.719 6.114 1.00 0.60 O ATOM 2305 CB SER A 151 2.339 10.558 6.445 1.00 0.66 C ATOM 2306 OG SER A 151 2.668 10.421 7.818 1.00 1.79 O ATOM 0 H SER A 151 0.656 10.213 4.173 1.00 0.49 H new ATOM 0 HA SER A 151 1.701 8.519 6.332 1.00 0.55 H new ATOM 0 HB2 SER A 151 3.248 10.498 5.847 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.908 11.544 6.272 1.00 0.66 H new ATOM 0 HG SER A 151 3.414 11.017 8.037 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.458 8.981 7.506 1.00 0.62 N ATOM 2313 CA ALA A 152 -1.716 9.255 8.187 1.00 0.70 C ATOM 2314 C ALA A 152 -1.521 10.367 9.211 1.00 0.74 C ATOM 2315 O ALA A 152 -2.479 10.888 9.786 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.250 7.997 8.853 1.00 0.86 C ATOM 0 H ALA A 152 0.027 8.142 7.824 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.450 9.583 7.451 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.190 8.223 9.356 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.418 7.229 8.098 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -1.525 7.636 9.583 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.264 10.718 9.435 1.00 0.77 N ATOM 2323 CA LYS A 153 0.086 11.810 10.323 1.00 0.93 C ATOM 2324 C LYS A 153 0.213 13.099 9.536 1.00 0.86 C ATOM 2325 O LYS A 153 -0.481 14.081 9.793 1.00 0.96 O ATOM 2326 CB LYS A 153 1.394 11.518 11.023 1.00 1.13 C ATOM 2327 CG LYS A 153 1.917 12.685 11.845 1.00 1.19 C ATOM 2328 CD LYS A 153 3.207 12.338 12.570 1.00 1.68 C ATOM 2329 CE LYS A 153 2.977 11.312 13.668 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.008 11.793 14.688 1.00 3.03 N ATOM 0 H LYS A 153 0.538 10.255 9.007 1.00 0.77 H new ATOM 0 HA LYS A 153 -0.702 11.916 11.068 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.263 10.655 11.675 1.00 1.13 H new ATOM 0 HB3 LYS A 153 2.142 11.244 10.279 1.00 1.13 H new ATOM 0 HG2 LYS A 153 2.087 13.541 11.192 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.162 12.984 12.572 1.00 1.19 H new ATOM 0 HD2 LYS A 153 3.933 11.950 11.855 1.00 1.68 H new ATOM 0 HD3 LYS A 153 3.637 13.242 13.001 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.609 10.386 13.227 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.926 11.080 14.151 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.104 11.224 15.553 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 2.201 12.791 14.907 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 1.040 11.701 14.318 1.00 3.03 H new ATOM 2344 N THR A 154 1.114 13.070 8.576 1.00 0.78 N ATOM 2345 CA THR A 154 1.386 14.226 7.737 1.00 0.81 C ATOM 2346 C THR A 154 0.198 14.520 6.824 1.00 0.73 C ATOM 2347 O THR A 154 -0.066 15.666 6.461 1.00 0.82 O ATOM 2348 CB THR A 154 2.646 13.988 6.889 1.00 0.89 C ATOM 2349 OG1 THR A 154 3.650 13.355 7.694 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.196 15.294 6.331 1.00 1.20 C ATOM 0 H THR A 154 1.678 12.250 8.353 1.00 0.78 H new ATOM 0 HA THR A 154 1.551 15.085 8.387 1.00 0.81 H new ATOM 0 HB THR A 154 2.375 13.347 6.050 1.00 0.89 H new ATOM 0 HG1 THR A 154 4.453 13.201 7.154 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.086 15.089 5.737 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.441 15.768 5.703 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.454 15.961 7.154 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.520 13.445 6.485 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.731 13.509 5.670 1.00 0.67 C ATOM 2360 C LYS A 155 -1.452 14.132 4.306 1.00 0.66 C ATOM 2361 O LYS A 155 -2.348 14.678 3.662 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.830 14.276 6.416 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.183 13.643 7.758 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.172 14.481 8.554 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.561 14.463 7.938 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.516 15.276 8.731 1.00 2.27 N ATOM 0 H LYS A 155 -0.272 12.498 6.773 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.079 12.491 5.494 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.504 15.303 6.578 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.724 14.320 5.793 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -3.604 12.652 7.589 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -2.273 13.507 8.343 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.224 14.106 9.576 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -3.814 15.509 8.609 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.514 14.846 6.919 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -5.920 13.436 7.876 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.465 15.202 8.313 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -6.540 14.926 9.710 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -6.212 16.271 8.726 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.209 14.000 3.854 1.00 0.62 N ATOM 2381 CA GLU A 156 0.231 14.598 2.604 1.00 0.66 C ATOM 2382 C GLU A 156 -0.144 13.689 1.435 1.00 0.59 C ATOM 2383 O GLU A 156 -0.701 14.125 0.423 1.00 0.58 O ATOM 2384 CB GLU A 156 1.759 14.861 2.648 1.00 0.75 C ATOM 2385 CG GLU A 156 2.654 13.657 2.360 1.00 1.13 C ATOM 2386 CD GLU A 156 2.683 12.647 3.492 1.00 1.78 C ATOM 2387 OE1 GLU A 156 1.621 12.065 3.797 1.00 2.64 O ATOM 2388 OE2 GLU A 156 3.768 12.426 4.071 1.00 2.03 O ATOM 0 H GLU A 156 0.517 13.477 4.344 1.00 0.62 H new ATOM 0 HA GLU A 156 -0.269 15.556 2.463 1.00 0.66 H new ATOM 0 HB2 GLU A 156 1.994 15.644 1.927 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.013 15.250 3.634 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.307 13.164 1.451 1.00 1.13 H new ATOM 0 HG3 GLU A 156 3.669 14.005 2.167 1.00 1.13 H new ATOM 2395 N GLY A 157 0.131 12.410 1.612 1.00 0.62 N ATOM 2396 CA GLY A 157 -0.131 11.441 0.593 1.00 0.61 C ATOM 2397 C GLY A 157 -1.596 11.101 0.477 1.00 0.48 C ATOM 2398 O GLY A 157 -2.006 10.454 -0.479 1.00 0.46 O ATOM 0 H GLY A 157 0.539 12.027 2.464 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.227 11.820 -0.364 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.433 10.533 0.807 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.389 11.534 1.451 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.819 11.278 1.436 1.00 0.50 C ATOM 2404 C LEU A 158 -4.473 11.976 0.250 1.00 0.46 C ATOM 2405 O LEU A 158 -5.354 11.418 -0.402 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.463 11.731 2.748 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.234 10.796 3.938 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.974 11.307 5.164 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.692 9.387 3.591 1.00 1.27 C ATOM 0 H LEU A 158 -2.063 12.064 2.259 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.974 10.204 1.333 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -4.078 12.719 3.002 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.536 11.838 2.590 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.168 10.772 4.165 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.801 10.631 6.001 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.610 12.302 5.420 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.042 11.355 4.951 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.525 8.730 4.444 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.754 9.400 3.345 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -4.126 9.021 2.735 1.00 1.27 H new ATOM 2421 N ASP A 159 -4.029 13.191 -0.036 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.527 13.922 -1.193 1.00 0.57 C ATOM 2423 C ASP A 159 -3.857 13.417 -2.456 1.00 0.50 C ATOM 2424 O ASP A 159 -4.490 13.310 -3.505 1.00 0.52 O ATOM 2425 CB ASP A 159 -4.298 15.423 -1.043 1.00 0.73 C ATOM 2426 CG ASP A 159 -5.216 16.045 -0.013 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -6.451 15.953 -0.174 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -4.712 16.624 0.969 1.00 2.50 O ATOM 0 H ASP A 159 -3.329 13.690 0.513 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.601 13.751 -1.262 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.261 15.603 -0.758 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -4.453 15.910 -2.006 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.569 13.092 -2.346 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.838 12.516 -3.472 1.00 0.46 C ATOM 2435 C HIS A 160 -2.497 11.212 -3.909 1.00 0.41 C ATOM 2436 O HIS A 160 -2.570 10.910 -5.097 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.366 12.274 -3.102 1.00 0.50 C ATOM 2438 CG HIS A 160 0.472 11.765 -4.242 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.080 12.596 -5.161 1.00 0.67 N ATOM 2440 CD2 HIS A 160 0.796 10.501 -4.612 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.735 11.866 -6.048 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.578 10.593 -5.735 1.00 0.67 N ATOM 0 H HIS A 160 -2.016 13.216 -1.498 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.867 13.223 -4.301 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.064 13.206 -2.735 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.321 11.557 -2.282 1.00 0.50 H new ATOM 0 HD2 HIS A 160 0.494 9.591 -4.115 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.301 12.246 -6.885 1.00 0.73 H new ATOM 0 HE2 HIS A 160 1.975 9.805 -6.246 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.983 10.455 -2.933 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.672 9.199 -3.191 1.00 0.39 C ATOM 2453 C LEU A 161 -4.910 9.435 -4.039 1.00 0.39 C ATOM 2454 O LEU A 161 -5.033 8.888 -5.131 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.065 8.531 -1.870 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.884 7.246 -2.005 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.096 6.182 -2.754 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.309 6.740 -0.635 1.00 0.88 C ATOM 0 H LEU A 161 -2.911 10.694 -1.944 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.995 8.541 -3.736 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.156 8.306 -1.311 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.636 9.245 -1.276 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.782 7.469 -2.581 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.697 5.277 -2.839 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.848 6.547 -3.750 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.178 5.959 -2.210 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.891 5.825 -0.749 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.424 6.534 -0.032 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.917 7.497 -0.140 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.812 10.271 -3.532 1.00 0.40 N ATOM 2471 CA LEU A 162 -7.055 10.587 -4.226 1.00 0.44 C ATOM 2472 C LEU A 162 -6.789 11.086 -5.642 1.00 0.45 C ATOM 2473 O LEU A 162 -7.503 10.733 -6.583 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.827 11.642 -3.438 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.206 11.234 -2.016 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.891 12.381 -1.297 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -9.106 10.010 -2.034 1.00 1.06 C ATOM 0 H LEU A 162 -5.703 10.745 -2.635 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.648 9.675 -4.298 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -7.227 12.551 -3.392 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.737 11.888 -3.984 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.292 10.984 -1.477 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -9.154 12.071 -0.285 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -8.217 13.236 -1.251 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.796 12.661 -1.837 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.366 9.734 -1.012 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -10.015 10.235 -2.591 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.584 9.181 -2.512 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.745 11.892 -5.786 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.354 12.419 -7.088 1.00 0.52 C ATOM 2491 C GLU A 163 -4.912 11.302 -8.026 1.00 0.51 C ATOM 2492 O GLU A 163 -5.254 11.306 -9.207 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.239 13.451 -6.934 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.732 14.804 -6.449 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.554 15.527 -7.497 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.963 16.272 -8.304 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -6.793 15.358 -7.521 1.00 2.49 O ATOM 0 H GLU A 163 -5.151 12.196 -5.014 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.226 12.904 -7.527 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.496 13.071 -6.233 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.737 13.578 -7.893 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -5.333 14.668 -5.550 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.878 15.421 -6.171 1.00 1.06 H new ATOM 2504 N MET A 164 -4.158 10.344 -7.501 1.00 0.49 N ATOM 2505 CA MET A 164 -3.700 9.213 -8.301 1.00 0.52 C ATOM 2506 C MET A 164 -4.874 8.305 -8.644 1.00 0.51 C ATOM 2507 O MET A 164 -4.961 7.777 -9.751 1.00 0.57 O ATOM 2508 CB MET A 164 -2.630 8.416 -7.560 1.00 0.53 C ATOM 2509 CG MET A 164 -1.335 9.179 -7.302 1.00 0.68 C ATOM 2510 SD MET A 164 -0.513 9.745 -8.810 1.00 0.87 S ATOM 2511 CE MET A 164 -1.346 11.302 -9.112 1.00 0.67 C ATOM 0 H MET A 164 -3.851 10.327 -6.528 1.00 0.49 H new ATOM 0 HA MET A 164 -3.264 9.603 -9.221 1.00 0.52 H new ATOM 0 HB2 MET A 164 -3.038 8.086 -6.605 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.400 7.519 -8.136 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.551 10.041 -6.671 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.651 8.539 -6.744 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.622 12.042 -9.452 1.00 0.67 H new ATOM 0 HE2 MET A 164 -2.110 11.164 -9.877 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.814 11.649 -8.191 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.772 8.140 -7.681 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.995 7.388 -7.872 1.00 0.51 C ATOM 2523 C ILE A 165 -7.771 7.936 -9.068 1.00 0.58 C ATOM 2524 O ILE A 165 -8.104 7.207 -10.004 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.869 7.496 -6.609 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.211 6.788 -5.428 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.244 6.937 -6.863 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.971 6.947 -4.129 1.00 0.50 C ATOM 0 H ILE A 165 -5.667 8.528 -6.743 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.740 6.345 -8.058 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.969 8.552 -6.358 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.117 5.727 -5.657 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.201 7.177 -5.299 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.845 7.023 -5.958 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.720 7.495 -7.669 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.163 5.888 -7.146 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.446 6.418 -3.333 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -8.042 8.005 -3.876 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.973 6.532 -4.241 1.00 0.50 H new ATOM 2540 N LEU A 166 -8.040 9.239 -9.028 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.761 9.921 -10.090 1.00 0.72 C ATOM 2542 C LEU A 166 -7.983 9.876 -11.397 1.00 0.72 C ATOM 2543 O LEU A 166 -8.565 9.722 -12.472 1.00 0.81 O ATOM 2544 CB LEU A 166 -9.010 11.370 -9.687 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.960 11.557 -8.503 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.985 13.010 -8.057 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.361 11.095 -8.869 1.00 1.48 C ATOM 0 H LEU A 166 -7.763 9.848 -8.258 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.712 9.412 -10.243 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -8.054 11.833 -9.443 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.414 11.906 -10.546 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.596 10.949 -7.675 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.667 13.120 -7.214 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.983 13.315 -7.755 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -10.323 13.638 -8.881 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -12.025 11.235 -8.016 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.728 11.679 -9.713 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -11.337 10.040 -9.141 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.665 10.007 -11.293 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.796 9.950 -12.457 1.00 0.79 C ATOM 2561 C LEU A 167 -5.963 8.620 -13.176 1.00 0.87 C ATOM 2562 O LEU A 167 -6.043 8.572 -14.397 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.334 10.131 -12.041 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.326 10.162 -13.192 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.568 11.369 -14.084 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.906 10.172 -12.651 1.00 1.41 C ATOM 0 H LEU A 167 -6.176 10.154 -10.410 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.075 10.758 -13.133 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.246 11.060 -11.478 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.063 9.321 -11.364 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.460 9.263 -13.793 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.841 11.373 -14.896 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.575 11.319 -14.498 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.462 12.282 -13.498 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.200 10.194 -13.481 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.760 11.054 -12.028 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.737 9.275 -12.055 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.044 7.543 -12.409 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.170 6.219 -12.973 1.00 0.96 C ATOM 2580 C VAL A 168 -7.586 5.971 -13.469 1.00 1.01 C ATOM 2581 O VAL A 168 -7.780 5.333 -14.493 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.755 5.155 -11.947 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.154 3.771 -12.402 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.260 5.221 -11.730 1.00 1.14 C ATOM 0 H VAL A 168 -6.024 7.567 -11.389 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.499 6.148 -13.829 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.271 5.359 -11.009 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -5.847 3.040 -11.655 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.236 3.727 -12.529 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.668 3.546 -13.351 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.964 4.466 -11.002 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.747 5.036 -12.674 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.990 6.209 -11.358 1.00 1.14 H new