USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 154 THR OG1 : rot 161:sc= -1.82! USER MOD Set 2.1: A 148 CYS SG : rot 120:sc= -0.708 USER MOD Set 2.2: A 160 HIS : no HE2:sc= 0.749 K(o=0.041,f=-3.6!) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -2.65! C(o=-3.7!,f=-12!) USER MOD Set 3.2: A 93 MET CE :methyl 159:sc= -0.604 (180deg=-2.32!) USER MOD Set 3.3: A 95 GLN : amide:sc= -0.415 K(o=-3.7,f=-6.3!) USER MOD Set 4.1: A 31 SER OG : rot -110:sc= 1.1 USER MOD Set 4.2: A 155 LYS NZ :NH3+ 156:sc= 1.23 (180deg=-0.0851) USER MOD Set 5.1: A 23 THR OG1 : rot 9:sc= 1.18 USER MOD Set 5.2: A 115 ASN : amide:sc= 0.572 K(o=1.8,f=-0.93) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -177:sc= 0 (180deg=-0.02) USER MOD Single : A 19 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-9.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 48 TYR OH : rot 67:sc= 0.166 USER MOD Single : A 49 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.064) USER MOD Single : A 58 THR OG1 : rot 174:sc= -2.69! USER MOD Single : A 96 THR OG1 : rot -130:sc= 0.342 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=-0.015) USER MOD Single : A 104 LYS NZ :NH3+ -147:sc= 2.3 (180deg=1.88) USER MOD Single : A 107 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 138:sc= -2.96! (180deg=-4.53!) USER MOD Single : A 123 ASN : amide:sc= 0.293 K(o=0.29,f=-5.1!) USER MOD Single : A 128 MET CE :methyl -136:sc= -1.73 (180deg=-3.05!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 132 MET CE :methyl 148:sc= -2.06! (180deg=-6.18!) USER MOD Single : A 134 TYR OH : rot 165:sc= -0.484 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 THR OG1 : rot -89:sc= -1.47! USER MOD Single : A 149 LYS NZ :NH3+ 161:sc= -0.0868 (180deg=-0.435) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -168:sc= -5.68! (180deg=-5.99!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.989 2.892 -5.433 1.00 0.67 N ATOM 156 CA VAL A 11 -12.646 2.626 -4.980 1.00 0.60 C ATOM 157 C VAL A 11 -12.674 1.742 -3.734 1.00 0.56 C ATOM 158 O VAL A 11 -13.129 2.159 -2.666 1.00 0.74 O ATOM 159 CB VAL A 11 -11.913 3.950 -4.690 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.616 3.698 -3.963 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.662 4.712 -5.986 1.00 0.98 C ATOM 0 HA VAL A 11 -12.106 2.096 -5.765 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.548 4.559 -4.046 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.117 4.648 -3.770 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.821 3.196 -3.017 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.972 3.068 -4.576 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.144 5.645 -5.765 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.049 4.105 -6.652 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.614 4.932 -6.469 1.00 0.98 H new ATOM 171 N THR A 12 -12.206 0.513 -3.882 1.00 0.46 N ATOM 172 CA THR A 12 -12.224 -0.444 -2.790 1.00 0.45 C ATOM 173 C THR A 12 -10.876 -0.467 -2.078 1.00 0.39 C ATOM 174 O THR A 12 -9.832 -0.565 -2.720 1.00 0.43 O ATOM 175 CB THR A 12 -12.562 -1.856 -3.306 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.725 -1.799 -4.146 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.817 -2.815 -2.150 1.00 0.62 C ATOM 0 H THR A 12 -11.808 0.155 -4.750 1.00 0.46 H new ATOM 0 HA THR A 12 -12.995 -0.134 -2.084 1.00 0.45 H new ATOM 0 HB THR A 12 -11.710 -2.223 -3.878 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.936 -2.698 -4.474 1.00 0.66 H new ATOM 0 HG21 THR A 12 -13.053 -3.804 -2.543 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.926 -2.876 -1.525 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.654 -2.452 -1.554 1.00 0.62 H new ATOM 185 N ILE A 13 -10.900 -0.359 -0.760 1.00 0.39 N ATOM 186 CA ILE A 13 -9.675 -0.384 0.024 1.00 0.38 C ATOM 187 C ILE A 13 -9.426 -1.775 0.588 1.00 0.37 C ATOM 188 O ILE A 13 -10.299 -2.359 1.227 1.00 0.51 O ATOM 189 CB ILE A 13 -9.720 0.635 1.182 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.925 2.050 0.637 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.442 0.564 2.009 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.941 3.114 1.710 1.00 1.03 C ATOM 0 H ILE A 13 -11.753 -0.253 -0.210 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.860 -0.111 -0.646 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.561 0.385 1.828 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.131 2.275 -0.075 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.865 2.086 0.087 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.493 1.290 2.820 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.333 -0.438 2.425 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.585 0.789 1.374 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.090 4.091 1.251 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.753 2.914 2.409 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.991 3.106 2.245 1.00 1.03 H new ATOM 204 N MET A 14 -8.240 -2.302 0.333 1.00 0.31 N ATOM 205 CA MET A 14 -7.847 -3.618 0.833 1.00 0.35 C ATOM 206 C MET A 14 -6.366 -3.642 1.195 1.00 0.29 C ATOM 207 O MET A 14 -5.680 -2.626 1.096 1.00 0.46 O ATOM 208 CB MET A 14 -8.149 -4.721 -0.194 1.00 0.56 C ATOM 209 CG MET A 14 -9.619 -5.110 -0.267 1.00 0.75 C ATOM 210 SD MET A 14 -9.900 -6.624 -1.210 1.00 1.04 S ATOM 211 CE MET A 14 -9.503 -6.090 -2.873 1.00 0.77 C ATOM 0 H MET A 14 -7.523 -1.836 -0.223 1.00 0.31 H new ATOM 0 HA MET A 14 -8.434 -3.812 1.730 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.823 -4.386 -1.179 1.00 0.56 H new ATOM 0 HB3 MET A 14 -7.561 -5.605 0.053 1.00 0.56 H new ATOM 0 HG2 MET A 14 -10.006 -5.241 0.744 1.00 0.75 H new ATOM 0 HG3 MET A 14 -10.183 -4.295 -0.721 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.683 -6.908 -3.571 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.130 -5.239 -3.141 1.00 0.77 H new ATOM 0 HE3 MET A 14 -8.454 -5.797 -2.920 1.00 0.77 H new ATOM 221 N GLY A 15 -5.877 -4.801 1.619 1.00 0.34 N ATOM 222 CA GLY A 15 -4.477 -4.924 1.985 1.00 0.45 C ATOM 223 C GLY A 15 -4.279 -5.037 3.475 1.00 0.62 C ATOM 224 O GLY A 15 -3.597 -4.211 4.077 1.00 1.55 O ATOM 0 H GLY A 15 -6.423 -5.657 1.716 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -4.053 -5.802 1.498 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.930 -4.058 1.613 1.00 0.45 H new ATOM 228 N HIS A 16 -4.883 -6.071 4.060 1.00 0.51 N ATOM 229 CA HIS A 16 -4.784 -6.344 5.490 1.00 0.45 C ATOM 230 C HIS A 16 -5.373 -5.204 6.338 1.00 0.49 C ATOM 231 O HIS A 16 -5.628 -4.098 5.860 1.00 0.64 O ATOM 232 CB HIS A 16 -3.321 -6.627 5.828 1.00 0.43 C ATOM 233 CG HIS A 16 -3.076 -7.084 7.233 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.916 -7.972 7.856 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.071 -6.763 8.075 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.404 -8.176 9.054 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.285 -7.462 9.234 1.00 0.59 N ATOM 0 H HIS A 16 -5.456 -6.744 3.552 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.382 -7.222 5.735 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.945 -7.387 5.143 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.740 -5.722 5.649 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.255 -6.085 7.874 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.832 -8.835 9.795 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.704 -7.442 10.072 1.00 0.59 H new ATOM 245 N VAL A 17 -5.634 -5.500 7.603 1.00 0.53 N ATOM 246 CA VAL A 17 -6.289 -4.553 8.487 1.00 0.67 C ATOM 247 C VAL A 17 -5.286 -3.854 9.408 1.00 0.64 C ATOM 248 O VAL A 17 -5.458 -2.680 9.741 1.00 0.78 O ATOM 249 CB VAL A 17 -7.393 -5.248 9.322 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.816 -6.370 10.173 1.00 1.55 C ATOM 251 CG2 VAL A 17 -8.138 -4.240 10.192 1.00 1.62 C ATOM 0 H VAL A 17 -5.400 -6.392 8.039 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.754 -3.793 7.859 1.00 0.67 H new ATOM 0 HB VAL A 17 -8.106 -5.688 8.625 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -7.615 -6.839 10.748 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -6.349 -7.114 9.527 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -6.070 -5.962 10.855 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.907 -4.755 10.768 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.436 -3.759 10.873 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -8.603 -3.486 9.558 1.00 1.62 H new ATOM 261 N ASP A 18 -4.224 -4.561 9.782 1.00 0.57 N ATOM 262 CA ASP A 18 -3.266 -4.043 10.758 1.00 0.61 C ATOM 263 C ASP A 18 -2.400 -2.938 10.163 1.00 0.56 C ATOM 264 O ASP A 18 -1.899 -2.078 10.888 1.00 0.69 O ATOM 265 CB ASP A 18 -2.383 -5.166 11.298 1.00 0.69 C ATOM 266 CG ASP A 18 -1.391 -4.686 12.339 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.788 -4.507 13.511 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.212 -4.475 11.987 1.00 1.78 O ATOM 0 H ASP A 18 -4.004 -5.491 9.426 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.840 -3.617 11.581 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -3.014 -5.940 11.734 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.841 -5.625 10.471 1.00 0.69 H new ATOM 273 N HIS A 19 -2.233 -2.953 8.839 1.00 0.46 N ATOM 274 CA HIS A 19 -1.480 -1.909 8.155 1.00 0.48 C ATOM 275 C HIS A 19 -2.143 -0.549 8.355 1.00 0.58 C ATOM 276 O HIS A 19 -1.508 0.498 8.204 1.00 0.65 O ATOM 277 CB HIS A 19 -1.353 -2.221 6.664 1.00 0.46 C ATOM 278 CG HIS A 19 -0.387 -3.324 6.360 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.802 -4.504 5.800 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.957 -3.368 6.531 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.285 -5.233 5.642 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.375 -4.590 6.071 1.00 0.48 N ATOM 0 H HIS A 19 -2.609 -3.675 8.224 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.480 -1.875 8.587 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.334 -2.491 6.274 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -1.038 -1.319 6.139 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.579 -2.590 6.949 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.293 -6.226 5.218 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.333 -4.941 6.059 1.00 0.48 H new ATOM 290 N GLY A 20 -3.422 -0.580 8.707 1.00 0.76 N ATOM 291 CA GLY A 20 -4.126 0.632 9.052 1.00 0.90 C ATOM 292 C GLY A 20 -5.010 1.141 7.938 1.00 0.81 C ATOM 293 O GLY A 20 -4.954 2.314 7.590 1.00 0.93 O ATOM 0 H GLY A 20 -3.984 -1.430 8.759 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.735 0.452 9.938 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.402 1.403 9.315 1.00 0.90 H new ATOM 297 N LYS A 21 -5.860 0.282 7.388 1.00 0.79 N ATOM 298 CA LYS A 21 -6.787 0.726 6.354 1.00 0.87 C ATOM 299 C LYS A 21 -7.806 1.671 6.974 1.00 0.89 C ATOM 300 O LYS A 21 -8.330 2.576 6.326 1.00 0.93 O ATOM 301 CB LYS A 21 -7.502 -0.451 5.683 1.00 1.09 C ATOM 302 CG LYS A 21 -8.310 -1.322 6.636 1.00 1.20 C ATOM 303 CD LYS A 21 -9.274 -2.220 5.878 1.00 1.39 C ATOM 304 CE LYS A 21 -10.104 -3.084 6.816 1.00 1.73 C ATOM 305 NZ LYS A 21 -11.198 -3.789 6.094 1.00 2.11 N ATOM 0 H LYS A 21 -5.927 -0.706 7.634 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.217 1.241 5.581 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.167 -0.064 4.911 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.760 -1.073 5.182 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -7.635 -1.933 7.235 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.866 -0.689 7.328 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -9.937 -1.607 5.268 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.714 -2.860 5.196 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.459 -3.816 7.303 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -10.530 -2.461 7.603 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.741 -4.367 6.766 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.828 -3.090 5.651 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.790 -4.403 5.360 1.00 2.11 H new ATOM 319 N THR A 22 -8.042 1.456 8.259 1.00 0.92 N ATOM 320 CA THR A 22 -8.972 2.252 9.026 1.00 1.00 C ATOM 321 C THR A 22 -8.454 3.676 9.194 1.00 0.99 C ATOM 322 O THR A 22 -9.223 4.632 9.144 1.00 1.03 O ATOM 323 CB THR A 22 -9.191 1.611 10.409 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.074 0.183 10.289 1.00 1.80 O ATOM 325 CG2 THR A 22 -10.563 1.967 10.964 1.00 1.65 C ATOM 0 H THR A 22 -7.588 0.718 8.797 1.00 0.92 H new ATOM 0 HA THR A 22 -9.920 2.289 8.488 1.00 1.00 H new ATOM 0 HB THR A 22 -8.436 1.993 11.096 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.211 -0.231 11.167 1.00 1.80 H new ATOM 0 HG21 THR A 22 -10.692 1.502 11.941 1.00 1.65 H new ATOM 0 HG22 THR A 22 -10.646 3.049 11.064 1.00 1.65 H new ATOM 0 HG23 THR A 22 -11.335 1.605 10.285 1.00 1.65 H new ATOM 333 N THR A 23 -7.142 3.813 9.359 1.00 0.99 N ATOM 334 CA THR A 23 -6.542 5.127 9.533 1.00 1.02 C ATOM 335 C THR A 23 -6.526 5.906 8.221 1.00 0.96 C ATOM 336 O THR A 23 -6.448 7.130 8.223 1.00 0.96 O ATOM 337 CB THR A 23 -5.112 5.042 10.116 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.331 4.066 9.414 1.00 1.77 O ATOM 339 CG2 THR A 23 -5.151 4.687 11.597 1.00 1.41 C ATOM 0 H THR A 23 -6.481 3.037 9.376 1.00 0.99 H new ATOM 0 HA THR A 23 -7.165 5.660 10.251 1.00 1.02 H new ATOM 0 HB THR A 23 -4.650 6.022 9.996 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.819 3.766 8.619 1.00 1.77 H new ATOM 0 HG21 THR A 23 -4.134 4.633 11.985 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.706 5.452 12.140 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.641 3.722 11.727 1.00 1.41 H new ATOM 347 N LEU A 24 -6.627 5.195 7.101 1.00 0.96 N ATOM 348 CA LEU A 24 -6.727 5.853 5.804 1.00 0.96 C ATOM 349 C LEU A 24 -8.096 6.499 5.654 1.00 0.89 C ATOM 350 O LEU A 24 -8.205 7.667 5.289 1.00 0.91 O ATOM 351 CB LEU A 24 -6.479 4.866 4.656 1.00 1.06 C ATOM 352 CG LEU A 24 -5.022 4.736 4.197 1.00 0.88 C ATOM 353 CD1 LEU A 24 -4.470 6.092 3.792 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.158 4.113 5.279 1.00 1.57 C ATOM 0 H LEU A 24 -6.642 4.176 7.066 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.957 6.623 5.755 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -6.833 3.882 4.964 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.084 5.170 3.802 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.001 4.076 3.330 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -3.435 5.982 3.469 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -5.065 6.497 2.973 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -4.514 6.772 4.643 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -3.131 4.034 4.924 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.186 4.738 6.172 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.536 3.119 5.519 1.00 1.57 H new ATOM 366 N LEU A 25 -9.133 5.734 5.966 1.00 0.88 N ATOM 367 CA LEU A 25 -10.501 6.227 5.878 1.00 0.91 C ATOM 368 C LEU A 25 -10.747 7.281 6.962 1.00 0.89 C ATOM 369 O LEU A 25 -11.461 8.252 6.745 1.00 0.92 O ATOM 370 CB LEU A 25 -11.485 5.056 6.033 1.00 1.02 C ATOM 371 CG LEU A 25 -12.759 5.123 5.177 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.652 6.275 5.602 1.00 1.76 C ATOM 373 CD2 LEU A 25 -12.403 5.244 3.705 1.00 1.96 C ATOM 0 H LEU A 25 -9.053 4.768 6.283 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.656 6.689 4.903 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.959 4.132 5.793 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.779 4.992 7.081 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.313 4.197 5.331 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.544 6.294 4.976 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.943 6.145 6.644 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.111 7.215 5.491 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -13.317 5.290 3.112 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.820 6.151 3.545 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.816 4.377 3.400 1.00 1.96 H new ATOM 385 N ASP A 26 -10.146 7.083 8.126 1.00 0.91 N ATOM 386 CA ASP A 26 -10.261 8.048 9.219 1.00 0.96 C ATOM 387 C ASP A 26 -9.674 9.400 8.835 1.00 0.92 C ATOM 388 O ASP A 26 -10.371 10.414 8.841 1.00 0.95 O ATOM 389 CB ASP A 26 -9.575 7.537 10.470 1.00 1.05 C ATOM 390 CG ASP A 26 -9.470 8.602 11.546 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.463 8.824 12.270 1.00 1.35 O ATOM 392 OD2 ASP A 26 -8.395 9.229 11.671 1.00 1.38 O ATOM 0 H ASP A 26 -9.574 6.266 8.342 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.325 8.175 9.421 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.127 6.682 10.861 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.577 7.182 10.215 1.00 1.05 H new ATOM 397 N ALA A 27 -8.395 9.398 8.476 1.00 0.89 N ATOM 398 CA ALA A 27 -7.685 10.627 8.153 1.00 0.89 C ATOM 399 C ALA A 27 -8.306 11.319 6.948 1.00 0.85 C ATOM 400 O ALA A 27 -8.266 12.545 6.831 1.00 0.90 O ATOM 401 CB ALA A 27 -6.221 10.326 7.887 1.00 0.91 C ATOM 0 H ALA A 27 -7.828 8.554 8.402 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.764 11.300 9.006 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.697 11.251 7.646 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.775 9.877 8.774 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.138 9.634 7.049 1.00 0.91 H new ATOM 407 N ILE A 28 -8.896 10.525 6.069 1.00 0.82 N ATOM 408 CA ILE A 28 -9.463 11.032 4.835 1.00 0.83 C ATOM 409 C ILE A 28 -10.790 11.753 5.095 1.00 0.88 C ATOM 410 O ILE A 28 -11.172 12.645 4.346 1.00 0.94 O ATOM 411 CB ILE A 28 -9.645 9.884 3.814 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.465 10.386 2.391 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.005 9.216 3.957 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.294 9.258 1.403 1.00 0.95 C ATOM 0 H ILE A 28 -8.994 9.517 6.192 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.770 11.759 4.412 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.875 9.142 4.028 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.330 10.986 2.108 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.594 11.040 2.346 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.096 8.415 3.223 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.103 8.802 4.960 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.791 9.952 3.790 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.169 9.668 0.401 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.414 8.673 1.668 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.176 8.618 1.426 1.00 0.95 H new ATOM 426 N ARG A 29 -11.471 11.387 6.179 1.00 0.93 N ATOM 427 CA ARG A 29 -12.721 12.046 6.551 1.00 1.04 C ATOM 428 C ARG A 29 -12.429 13.369 7.228 1.00 1.08 C ATOM 429 O ARG A 29 -13.271 14.260 7.279 1.00 1.17 O ATOM 430 CB ARG A 29 -13.549 11.162 7.479 1.00 1.16 C ATOM 431 CG ARG A 29 -13.960 9.857 6.836 1.00 1.33 C ATOM 432 CD ARG A 29 -14.769 8.979 7.782 1.00 1.58 C ATOM 433 NE ARG A 29 -16.076 9.555 8.100 1.00 2.13 N ATOM 434 CZ ARG A 29 -16.733 9.339 9.242 1.00 2.85 C ATOM 435 NH1 ARG A 29 -16.207 8.558 10.180 1.00 3.29 N ATOM 436 NH2 ARG A 29 -17.917 9.903 9.451 1.00 3.56 N ATOM 0 H ARG A 29 -11.180 10.642 6.812 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.295 12.224 5.642 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.974 10.952 8.381 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.442 11.705 7.789 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.549 10.064 5.942 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.070 9.317 6.513 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -14.908 7.997 7.331 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.207 8.830 8.704 1.00 1.58 H new ATOM 0 HE ARG A 29 -16.513 10.160 7.405 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.298 8.121 10.029 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -16.712 8.396 11.051 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -18.329 10.504 8.737 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -18.415 9.735 10.325 1.00 3.56 H new ATOM 450 N HIS A 30 -11.219 13.485 7.747 1.00 1.05 N ATOM 451 CA HIS A 30 -10.771 14.724 8.354 1.00 1.13 C ATOM 452 C HIS A 30 -10.141 15.618 7.292 1.00 1.15 C ATOM 453 O HIS A 30 -9.695 16.728 7.578 1.00 1.32 O ATOM 454 CB HIS A 30 -9.776 14.444 9.463 1.00 1.23 C ATOM 455 CG HIS A 30 -9.869 15.388 10.608 1.00 1.70 C ATOM 456 ND1 HIS A 30 -9.332 16.657 10.614 1.00 2.44 N ATOM 457 CD2 HIS A 30 -10.457 15.224 11.792 1.00 2.01 C ATOM 458 CE1 HIS A 30 -9.592 17.230 11.775 1.00 2.88 C ATOM 459 NE2 HIS A 30 -10.278 16.376 12.511 1.00 2.60 N ATOM 0 H HIS A 30 -10.529 12.734 7.760 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.631 15.235 8.787 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.930 13.429 9.828 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.767 14.485 9.052 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -10.981 14.341 12.125 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -9.295 18.225 12.071 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -10.618 16.546 13.458 1.00 2.60 H new ATOM 468 N SER A 31 -10.114 15.116 6.062 1.00 1.07 N ATOM 469 CA SER A 31 -9.538 15.837 4.936 1.00 1.19 C ATOM 470 C SER A 31 -10.393 15.634 3.689 1.00 1.32 C ATOM 471 O SER A 31 -9.883 15.392 2.597 1.00 1.76 O ATOM 472 CB SER A 31 -8.104 15.357 4.692 1.00 1.15 C ATOM 473 OG SER A 31 -7.267 15.717 5.779 1.00 1.50 O ATOM 0 H SER A 31 -10.490 14.200 5.819 1.00 1.07 H new ATOM 0 HA SER A 31 -9.515 16.902 5.166 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.094 14.275 4.561 1.00 1.15 H new ATOM 0 HB3 SER A 31 -7.720 15.794 3.770 1.00 1.15 H new ATOM 0 HG SER A 31 -6.642 16.415 5.493 1.00 1.50 H new ATOM 706 N TYR A 48 -17.493 6.449 2.904 1.00 1.05 N ATOM 707 CA TYR A 48 -18.020 7.742 2.484 1.00 1.04 C ATOM 708 C TYR A 48 -17.916 7.913 0.972 1.00 0.91 C ATOM 709 O TYR A 48 -17.365 7.062 0.270 1.00 0.86 O ATOM 710 CB TYR A 48 -17.266 8.878 3.177 1.00 1.16 C ATOM 711 CG TYR A 48 -15.944 9.170 2.519 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.962 8.195 2.411 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.669 10.437 2.046 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.743 8.482 1.837 1.00 1.77 C ATOM 715 CE2 TYR A 48 -14.458 10.736 1.478 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.531 9.658 1.252 1.00 1.96 C ATOM 717 OH TYR A 48 -12.275 10.043 0.806 1.00 2.54 O ATOM 0 HA TYR A 48 -19.071 7.778 2.769 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.881 9.778 3.168 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.099 8.616 4.222 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.156 7.199 2.781 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -16.422 11.207 2.125 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -12.953 7.746 1.862 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -14.206 11.751 1.208 1.00 1.73 H new ATOM 0 HH TYR A 48 -12.004 9.471 0.058 1.00 2.54 H new ATOM 727 N GLN A 49 -18.392 9.053 0.498 1.00 1.01 N ATOM 728 CA GLN A 49 -18.380 9.382 -0.906 1.00 1.00 C ATOM 729 C GLN A 49 -18.078 10.853 -1.036 1.00 1.11 C ATOM 730 O GLN A 49 -18.834 11.694 -0.552 1.00 1.34 O ATOM 731 CB GLN A 49 -19.721 9.080 -1.577 1.00 1.16 C ATOM 732 CG GLN A 49 -20.059 7.605 -1.669 1.00 1.18 C ATOM 733 CD GLN A 49 -21.272 7.341 -2.540 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.007 6.379 -2.330 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.484 8.187 -3.537 1.00 1.96 N ATOM 0 H GLN A 49 -18.800 9.778 1.088 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.623 8.774 -1.402 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.512 9.587 -1.025 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.713 9.502 -2.582 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.202 7.064 -2.071 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.242 7.214 -0.668 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -20.852 8.975 -3.681 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.279 8.051 -4.161 1.00 1.96 H new ATOM 744 N VAL A 50 -16.972 11.155 -1.668 1.00 1.04 N ATOM 745 CA VAL A 50 -16.572 12.527 -1.869 1.00 1.18 C ATOM 746 C VAL A 50 -17.339 13.082 -3.064 1.00 1.28 C ATOM 747 O VAL A 50 -18.107 12.348 -3.689 1.00 1.38 O ATOM 748 CB VAL A 50 -15.033 12.607 -2.042 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.578 11.636 -3.109 1.00 1.93 C ATOM 750 CG2 VAL A 50 -14.530 14.016 -2.332 1.00 1.59 C ATOM 0 H VAL A 50 -16.328 10.465 -2.055 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.815 13.141 -1.002 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.592 12.325 -1.086 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -13.496 11.701 -3.222 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.853 10.622 -2.819 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -15.057 11.885 -4.056 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -13.446 14.000 -2.442 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.983 14.381 -3.254 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.802 14.676 -1.508 1.00 1.59 H new ATOM 860 N ILE A 57 -15.190 10.152 -7.088 1.00 1.14 N ATOM 861 CA ILE A 57 -14.592 9.044 -6.354 1.00 0.88 C ATOM 862 C ILE A 57 -15.459 8.649 -5.157 1.00 0.85 C ATOM 863 O ILE A 57 -16.247 9.447 -4.645 1.00 0.97 O ATOM 864 CB ILE A 57 -13.166 9.373 -5.850 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.363 10.113 -6.927 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.444 8.088 -5.455 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.003 10.589 -6.455 1.00 0.86 C ATOM 0 HA ILE A 57 -14.527 8.213 -7.057 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.251 10.022 -4.978 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.230 9.454 -7.785 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -12.939 10.972 -7.271 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.441 8.328 -5.101 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -12.999 7.588 -4.661 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.375 7.428 -6.320 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.494 11.103 -7.271 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.128 11.274 -5.616 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.408 9.733 -6.138 1.00 0.86 H new ATOM 879 N THR A 58 -15.302 7.411 -4.723 1.00 0.80 N ATOM 880 CA THR A 58 -16.006 6.882 -3.575 1.00 0.80 C ATOM 881 C THR A 58 -15.149 5.794 -2.938 1.00 0.73 C ATOM 882 O THR A 58 -14.457 5.070 -3.650 1.00 0.85 O ATOM 883 CB THR A 58 -17.382 6.316 -3.990 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.023 5.672 -2.884 1.00 1.11 O ATOM 885 CG2 THR A 58 -17.244 5.339 -5.145 1.00 1.28 C ATOM 0 H THR A 58 -14.674 6.739 -5.165 1.00 0.80 H new ATOM 0 HA THR A 58 -16.183 7.681 -2.855 1.00 0.80 H new ATOM 0 HB THR A 58 -17.998 7.155 -4.314 1.00 0.88 H new ATOM 0 HG1 THR A 58 -18.931 5.407 -3.141 1.00 1.11 H new ATOM 0 HG21 THR A 58 -18.228 4.956 -5.417 1.00 1.28 H new ATOM 0 HG22 THR A 58 -16.803 5.849 -6.002 1.00 1.28 H new ATOM 0 HG23 THR A 58 -16.602 4.511 -4.846 1.00 1.28 H new ATOM 893 N PHE A 59 -15.170 5.685 -1.615 1.00 0.65 N ATOM 894 CA PHE A 59 -14.302 4.729 -0.931 1.00 0.64 C ATOM 895 C PHE A 59 -15.128 3.718 -0.164 1.00 0.73 C ATOM 896 O PHE A 59 -15.911 4.084 0.711 1.00 0.83 O ATOM 897 CB PHE A 59 -13.331 5.446 0.011 1.00 0.64 C ATOM 898 CG PHE A 59 -12.220 6.170 -0.700 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.469 7.362 -1.360 1.00 0.80 C ATOM 900 CD2 PHE A 59 -10.931 5.663 -0.710 1.00 0.75 C ATOM 901 CE1 PHE A 59 -11.456 8.032 -2.016 1.00 0.84 C ATOM 902 CE2 PHE A 59 -9.914 6.330 -1.363 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.160 7.498 -2.008 1.00 0.70 C ATOM 0 H PHE A 59 -15.768 6.237 -1.000 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.718 4.203 -1.686 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -13.888 6.160 0.617 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -12.898 4.717 0.695 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -13.468 7.772 -1.361 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -10.719 4.735 -0.201 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -11.660 8.959 -2.531 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -8.915 5.919 -1.360 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.359 8.015 -2.514 1.00 0.70 H new ATOM 1221 N ILE A 81 -10.835 0.205 -9.260 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.774 0.740 -8.420 1.00 0.55 C ATOM 1223 C ILE A 81 -9.638 -0.023 -7.107 1.00 0.47 C ATOM 1224 O ILE A 81 -10.533 0.021 -6.256 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.029 2.234 -8.122 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -9.875 3.059 -9.400 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.082 2.745 -7.047 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.461 3.063 -9.933 1.00 0.73 C ATOM 0 HA ILE A 81 -8.841 0.625 -8.972 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.049 2.339 -7.752 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -10.544 2.664 -10.164 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.186 4.085 -9.203 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.283 3.799 -6.856 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.232 2.175 -6.130 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.052 2.627 -7.383 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -8.416 3.665 -10.841 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -7.791 3.485 -9.184 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.155 2.042 -10.160 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.528 -0.735 -6.949 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.221 -1.369 -5.694 1.00 0.30 C ATOM 1242 C VAL A 82 -7.098 -0.645 -4.984 1.00 0.25 C ATOM 1243 O VAL A 82 -5.991 -0.533 -5.509 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.787 -2.817 -5.892 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -7.457 -3.440 -4.556 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.870 -3.605 -6.606 1.00 1.19 C ATOM 0 H VAL A 82 -7.832 -0.882 -7.680 1.00 0.32 H new ATOM 0 HA VAL A 82 -9.132 -1.335 -5.097 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.893 -2.838 -6.515 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -7.148 -4.475 -4.704 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.647 -2.883 -4.085 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -8.338 -3.413 -3.914 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.542 -4.636 -6.738 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.784 -3.588 -6.012 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -9.063 -3.157 -7.581 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.376 -0.165 -3.792 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.334 0.381 -2.956 1.00 0.25 C ATOM 1258 C ILE A 83 -5.708 -0.745 -2.174 1.00 0.27 C ATOM 1259 O ILE A 83 -6.393 -1.474 -1.463 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.866 1.409 -1.933 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.688 2.505 -2.604 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.717 2.017 -1.137 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.863 3.570 -3.295 1.00 1.32 C ATOM 0 H ILE A 83 -8.310 -0.142 -3.383 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.624 0.883 -3.613 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.526 0.876 -1.249 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.354 2.047 -3.335 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.318 2.981 -1.853 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.112 2.739 -0.422 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.187 1.228 -0.602 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.029 2.519 -1.817 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.526 4.309 -3.745 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.216 4.059 -2.567 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.252 3.110 -4.072 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.424 -0.889 -2.324 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.686 -1.889 -1.572 1.00 0.27 C ATOM 1277 C LEU A 84 -2.836 -1.193 -0.501 1.00 0.27 C ATOM 1278 O LEU A 84 -1.916 -0.438 -0.816 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.832 -2.736 -2.538 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.009 -3.867 -1.922 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.712 -3.331 -1.349 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -2.816 -4.580 -0.856 1.00 1.33 C ATOM 0 H LEU A 84 -3.855 -0.330 -2.960 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.371 -2.567 -1.063 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.495 -3.168 -3.287 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.150 -2.067 -3.063 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.761 -4.585 -2.704 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.140 -4.151 -0.915 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.130 -2.862 -2.142 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -0.932 -2.594 -0.577 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.219 -5.384 -0.425 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.091 -3.872 -0.074 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -3.719 -4.998 -1.302 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.163 -1.429 0.761 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.483 -0.760 1.867 1.00 0.28 C ATOM 1296 C VAL A 85 -1.262 -1.549 2.346 1.00 0.27 C ATOM 1297 O VAL A 85 -1.291 -2.776 2.432 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.441 -0.534 3.060 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.755 0.247 4.176 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.702 0.184 2.607 1.00 1.20 C ATOM 0 H VAL A 85 -3.895 -2.079 1.048 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.148 0.205 1.486 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.720 -1.511 3.454 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.452 0.391 5.001 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.886 -0.309 4.528 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.436 1.218 3.797 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.363 0.333 3.461 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.437 1.151 2.180 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.212 -0.417 1.854 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.189 -0.818 2.642 1.00 0.25 N ATOM 1311 CA VAL A 86 1.026 -1.384 3.225 1.00 0.27 C ATOM 1312 C VAL A 86 1.554 -0.426 4.289 1.00 0.24 C ATOM 1313 O VAL A 86 0.883 0.547 4.626 1.00 0.26 O ATOM 1314 CB VAL A 86 2.130 -1.636 2.170 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.712 -2.722 1.193 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.473 -0.356 1.429 1.00 0.95 C ATOM 0 H VAL A 86 -0.138 0.188 2.483 1.00 0.25 H new ATOM 0 HA VAL A 86 0.768 -2.350 3.659 1.00 0.27 H new ATOM 0 HB VAL A 86 3.022 -1.977 2.696 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.506 -2.879 0.462 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.530 -3.649 1.736 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.800 -2.418 0.679 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.251 -0.559 0.693 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.584 0.021 0.923 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.830 0.390 2.138 1.00 0.95 H new ATOM 1326 N ALA A 87 2.743 -0.678 4.822 1.00 0.28 N ATOM 1327 CA ALA A 87 3.283 0.192 5.862 1.00 0.32 C ATOM 1328 C ALA A 87 4.808 0.237 5.868 1.00 0.46 C ATOM 1329 O ALA A 87 5.456 -0.749 6.208 1.00 0.75 O ATOM 1330 CB ALA A 87 2.764 -0.234 7.227 1.00 0.42 C ATOM 0 H ALA A 87 3.342 -1.461 4.559 1.00 0.28 H new ATOM 0 HA ALA A 87 2.939 1.202 5.637 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.174 0.423 7.994 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.676 -0.170 7.239 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.069 -1.261 7.428 1.00 0.42 H new ATOM 1336 N ALA A 88 5.349 1.394 5.466 1.00 0.37 N ATOM 1337 CA ALA A 88 6.781 1.712 5.580 1.00 0.59 C ATOM 1338 C ALA A 88 7.706 0.568 5.145 1.00 0.53 C ATOM 1339 O ALA A 88 8.015 0.428 3.963 1.00 1.14 O ATOM 1340 CB ALA A 88 7.108 2.142 7.002 1.00 1.18 C ATOM 0 H ALA A 88 4.800 2.145 5.048 1.00 0.37 H new ATOM 0 HA ALA A 88 6.969 2.532 4.887 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.170 2.375 7.076 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.524 3.026 7.258 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.865 1.334 7.692 1.00 1.18 H new ATOM 1346 N ASP A 89 8.134 -0.240 6.112 1.00 0.56 N ATOM 1347 CA ASP A 89 9.176 -1.240 5.892 1.00 0.93 C ATOM 1348 C ASP A 89 8.621 -2.663 5.875 1.00 0.85 C ATOM 1349 O ASP A 89 9.364 -3.615 5.634 1.00 1.24 O ATOM 1350 CB ASP A 89 10.237 -1.138 6.992 1.00 1.44 C ATOM 1351 CG ASP A 89 9.660 -1.368 8.375 1.00 1.68 C ATOM 1352 OD1 ASP A 89 8.854 -0.532 8.834 1.00 1.90 O ATOM 1353 OD2 ASP A 89 10.017 -2.377 9.018 1.00 2.01 O ATOM 0 H ASP A 89 7.771 -0.221 7.065 1.00 0.56 H new ATOM 0 HA ASP A 89 9.613 -1.034 4.915 1.00 0.93 H new ATOM 0 HB2 ASP A 89 11.023 -1.869 6.803 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.702 -0.153 6.954 1.00 1.44 H new ATOM 1358 N ASP A 90 7.324 -2.813 6.136 1.00 0.48 N ATOM 1359 CA ASP A 90 6.715 -4.145 6.244 1.00 0.46 C ATOM 1360 C ASP A 90 6.780 -4.883 4.920 1.00 0.45 C ATOM 1361 O ASP A 90 7.120 -6.063 4.860 1.00 0.69 O ATOM 1362 CB ASP A 90 5.250 -4.060 6.688 1.00 0.52 C ATOM 1363 CG ASP A 90 4.695 -5.407 7.097 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.224 -6.013 8.054 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.716 -5.854 6.478 1.00 1.09 O ATOM 0 H ASP A 90 6.676 -2.038 6.276 1.00 0.48 H new ATOM 0 HA ASP A 90 7.285 -4.690 6.996 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.166 -3.366 7.524 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.649 -3.654 5.874 1.00 0.52 H new ATOM 1370 N GLY A 91 6.470 -4.168 3.856 1.00 0.36 N ATOM 1371 CA GLY A 91 6.380 -4.787 2.561 1.00 0.36 C ATOM 1372 C GLY A 91 4.990 -5.308 2.300 1.00 0.35 C ATOM 1373 O GLY A 91 4.045 -4.531 2.184 1.00 0.52 O ATOM 0 H GLY A 91 6.279 -3.166 3.868 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.651 -4.065 1.791 1.00 0.36 H new ATOM 0 HA3 GLY A 91 7.096 -5.606 2.496 1.00 0.36 H new ATOM 1377 N VAL A 92 4.861 -6.619 2.218 1.00 0.38 N ATOM 1378 CA VAL A 92 3.597 -7.254 1.940 1.00 0.37 C ATOM 1379 C VAL A 92 3.309 -8.351 2.964 1.00 0.36 C ATOM 1380 O VAL A 92 4.086 -9.293 3.109 1.00 0.47 O ATOM 1381 CB VAL A 92 3.629 -7.859 0.525 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.487 -8.820 0.336 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.588 -6.766 -0.531 1.00 1.06 C ATOM 0 H VAL A 92 5.635 -7.271 2.344 1.00 0.38 H new ATOM 0 HA VAL A 92 2.806 -6.506 2.003 1.00 0.37 H new ATOM 0 HB VAL A 92 4.564 -8.407 0.410 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.526 -9.238 -0.670 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.564 -9.625 1.067 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.542 -8.294 0.474 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.612 -7.217 -1.523 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.672 -6.185 -0.418 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.451 -6.111 -0.410 1.00 1.06 H new ATOM 1393 N MET A 93 2.218 -8.206 3.702 1.00 0.29 N ATOM 1394 CA MET A 93 1.728 -9.286 4.552 1.00 0.31 C ATOM 1395 C MET A 93 0.835 -10.219 3.735 1.00 0.31 C ATOM 1396 O MET A 93 0.497 -9.896 2.599 1.00 0.31 O ATOM 1397 CB MET A 93 0.960 -8.729 5.751 1.00 0.36 C ATOM 1398 CG MET A 93 1.863 -8.156 6.827 1.00 0.67 C ATOM 1399 SD MET A 93 1.009 -7.927 8.392 1.00 1.32 S ATOM 1400 CE MET A 93 0.433 -9.597 8.674 1.00 0.65 C ATOM 0 H MET A 93 1.656 -7.355 3.731 1.00 0.29 H new ATOM 0 HA MET A 93 2.582 -9.848 4.931 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.277 -7.952 5.407 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.349 -9.522 6.183 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.714 -8.821 6.975 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.261 -7.199 6.491 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.218 -9.734 9.734 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.473 -9.772 8.095 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.203 -10.304 8.366 1.00 0.65 H new ATOM 1410 N PRO A 94 0.460 -11.396 4.280 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.440 -12.335 3.600 1.00 0.42 C ATOM 1412 C PRO A 94 -1.620 -11.640 2.925 1.00 0.39 C ATOM 1413 O PRO A 94 -1.779 -11.712 1.706 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.920 -13.231 4.738 1.00 0.52 C ATOM 1415 CG PRO A 94 0.222 -13.266 5.693 1.00 0.61 C ATOM 1416 CD PRO A 94 0.906 -11.926 5.588 1.00 0.46 C ATOM 0 HA PRO A 94 0.059 -12.870 2.792 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.818 -12.829 5.208 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.168 -14.230 4.379 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.127 -13.445 6.710 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.911 -14.074 5.446 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.617 -11.266 6.406 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.991 -12.027 5.628 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.422 -10.944 3.721 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.592 -10.249 3.219 1.00 0.43 C ATOM 1426 C GLN A 95 -3.247 -9.203 2.156 1.00 0.36 C ATOM 1427 O GLN A 95 -4.088 -8.876 1.319 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.337 -9.592 4.371 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.697 -10.563 5.476 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.817 -10.045 6.361 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.642 -9.238 5.931 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.874 -10.525 7.593 1.00 1.47 N ATOM 0 H GLN A 95 -2.278 -10.848 4.726 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.227 -10.994 2.740 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.722 -8.792 4.784 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.248 -9.130 3.990 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.996 -11.515 5.036 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.815 -10.757 6.087 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.172 -11.192 7.913 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.620 -10.228 8.222 1.00 1.47 H new ATOM 1441 N THR A 96 -2.021 -8.681 2.181 1.00 0.33 N ATOM 1442 CA THR A 96 -1.598 -7.702 1.195 1.00 0.31 C ATOM 1443 C THR A 96 -1.673 -8.283 -0.225 1.00 0.29 C ATOM 1444 O THR A 96 -2.215 -7.651 -1.127 1.00 0.34 O ATOM 1445 CB THR A 96 -0.181 -7.199 1.496 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.111 -6.742 2.852 1.00 0.37 O ATOM 1447 CG2 THR A 96 0.210 -6.066 0.561 1.00 0.46 C ATOM 0 H THR A 96 -1.310 -8.922 2.872 1.00 0.33 H new ATOM 0 HA THR A 96 -2.281 -6.855 1.253 1.00 0.31 H new ATOM 0 HB THR A 96 0.513 -8.026 1.344 1.00 0.34 H new ATOM 0 HG1 THR A 96 0.285 -5.846 2.875 1.00 0.37 H new ATOM 0 HG21 THR A 96 1.219 -5.730 0.799 1.00 0.46 H new ATOM 0 HG22 THR A 96 0.178 -6.418 -0.470 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.486 -5.237 0.683 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.173 -9.506 -0.423 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.242 -10.128 -1.740 1.00 0.39 C ATOM 1457 C VAL A 97 -2.544 -10.905 -1.923 1.00 0.34 C ATOM 1458 O VAL A 97 -3.061 -10.994 -3.031 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.022 -11.021 -2.052 1.00 0.60 C ATOM 1460 CG1 VAL A 97 0.564 -11.554 -0.786 1.00 1.00 C ATOM 1461 CG2 VAL A 97 -0.382 -12.168 -2.984 1.00 1.05 C ATOM 0 H VAL A 97 -0.726 -10.072 0.298 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.224 -9.310 -2.460 1.00 0.39 H new ATOM 0 HB VAL A 97 0.716 -10.401 -2.561 1.00 0.60 H new ATOM 0 HG11 VAL A 97 1.424 -12.182 -1.019 1.00 1.00 H new ATOM 0 HG12 VAL A 97 0.882 -10.724 -0.154 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.185 -12.145 -0.259 1.00 1.00 H new ATOM 0 HG21 VAL A 97 0.505 -12.771 -3.178 1.00 1.05 H new ATOM 0 HG22 VAL A 97 -1.148 -12.788 -2.519 1.00 1.05 H new ATOM 0 HG23 VAL A 97 -0.761 -11.768 -3.924 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.096 -11.442 -0.839 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.362 -12.169 -0.920 1.00 0.40 C ATOM 1473 C GLU A 98 -5.487 -11.261 -1.414 1.00 0.34 C ATOM 1474 O GLU A 98 -6.454 -11.723 -2.020 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.736 -12.775 0.431 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.830 -13.918 0.841 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.335 -14.649 2.066 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.471 -15.173 2.021 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -3.595 -14.720 3.070 1.00 1.62 O ATOM 0 H GLU A 98 -2.693 -11.390 0.097 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.228 -12.978 -1.638 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -4.698 -11.998 1.194 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.765 -13.132 0.390 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.741 -14.622 0.013 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -2.830 -13.531 1.039 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.343 -9.969 -1.162 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.304 -8.979 -1.632 1.00 0.27 C ATOM 1488 C ALA A 99 -5.923 -8.507 -3.030 1.00 0.25 C ATOM 1489 O ALA A 99 -6.755 -8.020 -3.792 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.368 -7.803 -0.671 1.00 0.31 C ATOM 0 H ALA A 99 -4.565 -9.578 -0.631 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.291 -9.439 -1.674 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -7.090 -7.073 -1.037 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.675 -8.154 0.314 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.385 -7.337 -0.600 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.653 -8.677 -3.354 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.120 -8.293 -4.650 1.00 0.24 C ATOM 1498 C ILE A 100 -4.427 -9.355 -5.697 1.00 0.28 C ATOM 1499 O ILE A 100 -4.895 -9.031 -6.780 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.607 -8.016 -4.533 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.379 -6.507 -4.457 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.795 -8.646 -5.659 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.932 -6.092 -4.328 1.00 0.38 C ATOM 0 H ILE A 100 -3.961 -9.086 -2.725 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.605 -7.374 -4.979 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.249 -8.488 -3.618 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.797 -6.045 -5.351 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.933 -6.112 -3.606 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.739 -8.415 -5.519 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.934 -9.727 -5.647 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.130 -8.247 -6.616 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.868 -5.005 -4.281 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.510 -6.520 -3.418 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.372 -6.451 -5.191 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.171 -10.619 -5.374 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.603 -11.731 -6.195 1.00 0.38 C ATOM 1517 C ASN A 101 -6.114 -11.695 -6.369 1.00 0.37 C ATOM 1518 O ASN A 101 -6.648 -12.076 -7.408 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.180 -13.040 -5.541 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.947 -14.115 -6.563 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.821 -14.937 -6.849 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.768 -14.090 -7.146 1.00 1.55 N ATOM 0 H ASN A 101 -3.659 -10.895 -4.536 1.00 0.31 H new ATOM 0 HA ASN A 101 -4.138 -11.655 -7.178 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.269 -12.882 -4.964 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.950 -13.363 -4.840 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.543 -14.771 -7.871 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.079 -13.389 -6.873 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.794 -11.214 -5.335 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.235 -11.009 -5.379 1.00 0.38 C ATOM 1531 C HIS A 102 -8.578 -9.949 -6.421 1.00 0.38 C ATOM 1532 O HIS A 102 -9.649 -9.983 -7.022 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.739 -10.575 -3.997 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.227 -10.635 -3.826 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.842 -11.497 -2.945 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.220 -9.924 -4.406 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.147 -11.316 -2.993 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.406 -10.366 -3.871 1.00 0.77 N ATOM 0 H HIS A 102 -6.364 -10.956 -4.447 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.722 -11.944 -5.656 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.274 -11.207 -3.241 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.406 -9.555 -3.808 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.103 -9.152 -5.152 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.881 -11.855 -2.411 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.334 -10.017 -4.113 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.660 -9.017 -6.640 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.918 -7.915 -7.553 1.00 0.38 C ATOM 1549 C ALA A 103 -7.365 -8.176 -8.956 1.00 0.40 C ATOM 1550 O ALA A 103 -8.096 -8.109 -9.939 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.333 -6.644 -6.982 1.00 0.43 C ATOM 0 H ALA A 103 -6.739 -9.002 -6.202 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.998 -7.813 -7.657 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.525 -5.816 -7.665 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.794 -6.433 -6.017 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.258 -6.765 -6.852 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.074 -8.481 -9.043 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.402 -8.702 -10.321 1.00 0.51 C ATOM 1559 C LYS A 104 -6.099 -9.758 -11.118 1.00 0.50 C ATOM 1560 O LYS A 104 -6.326 -9.615 -12.315 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.974 -9.154 -10.082 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.223 -8.181 -9.238 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.191 -6.808 -9.900 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.633 -6.884 -11.317 1.00 1.92 C ATOM 1565 NZ LYS A 104 -2.944 -5.667 -12.115 1.00 2.56 N ATOM 0 H LYS A 104 -5.464 -8.582 -8.232 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.419 -7.762 -10.872 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.977 -10.130 -9.597 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.465 -9.275 -11.038 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -3.691 -8.106 -8.256 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -2.205 -8.538 -9.080 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -4.198 -6.392 -9.926 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.581 -6.129 -9.304 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.552 -7.020 -11.272 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -3.044 -7.760 -11.820 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -3.075 -5.930 -13.113 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -3.816 -5.229 -11.755 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -2.159 -4.990 -12.036 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.435 -10.818 -10.430 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.081 -11.949 -11.078 1.00 0.61 C ATOM 1581 C ALA A 105 -8.562 -11.691 -11.343 1.00 0.66 C ATOM 1582 O ALA A 105 -9.310 -12.600 -11.711 1.00 0.76 O ATOM 1583 CB ALA A 105 -6.877 -13.226 -10.281 1.00 0.72 C ATOM 0 H ALA A 105 -6.277 -10.930 -9.429 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.603 -12.078 -12.049 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.371 -14.055 -10.789 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -5.811 -13.436 -10.196 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.303 -13.105 -9.285 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.981 -10.455 -11.155 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.281 -10.010 -11.614 1.00 0.70 C ATOM 1591 C ALA A 106 -10.075 -9.017 -12.749 1.00 0.72 C ATOM 1592 O ALA A 106 -11.014 -8.370 -13.211 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.080 -9.391 -10.478 1.00 0.75 C ATOM 0 H ALA A 106 -8.434 -9.735 -10.683 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.856 -10.863 -11.975 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.051 -9.066 -10.851 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.223 -10.130 -9.689 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.539 -8.533 -10.078 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.808 -8.922 -13.173 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.382 -8.064 -14.277 1.00 0.73 C ATOM 1601 C ASN A 107 -8.466 -6.591 -13.891 1.00 0.67 C ATOM 1602 O ASN A 107 -9.032 -5.774 -14.615 1.00 0.80 O ATOM 1603 CB ASN A 107 -9.208 -8.352 -15.522 1.00 0.92 C ATOM 1604 CG ASN A 107 -8.574 -7.831 -16.802 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.788 -8.528 -17.446 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.926 -6.614 -17.188 1.00 2.06 N ATOM 0 H ASN A 107 -8.043 -9.448 -12.751 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.339 -8.286 -14.500 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.355 -9.428 -15.610 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -10.195 -7.904 -15.406 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -8.543 -6.221 -18.048 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.580 -6.070 -16.625 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.921 -6.252 -12.727 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.944 -4.871 -12.271 1.00 0.49 C ATOM 1615 C VAL A 108 -6.553 -4.339 -11.904 1.00 0.40 C ATOM 1616 O VAL A 108 -5.615 -5.104 -11.643 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.871 -4.702 -11.055 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.880 -5.830 -10.954 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.075 -4.548 -9.769 1.00 1.08 C ATOM 0 H VAL A 108 -7.464 -6.906 -12.091 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.321 -4.291 -13.114 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.435 -3.781 -11.204 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.515 -5.673 -10.082 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.496 -5.849 -11.853 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.355 -6.780 -10.854 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.760 -4.431 -8.929 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.459 -5.434 -9.614 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.435 -3.669 -9.841 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.418 -3.001 -11.932 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.260 -2.266 -11.397 1.00 0.35 C ATOM 1631 C PRO A 109 -5.232 -2.149 -9.866 1.00 0.30 C ATOM 1632 O PRO A 109 -6.266 -2.198 -9.188 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.425 -0.863 -11.967 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.506 -0.949 -12.980 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.376 -2.094 -12.564 1.00 0.48 C ATOM 0 HA PRO A 109 -4.342 -2.787 -11.669 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.684 -0.152 -11.182 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.496 -0.515 -12.419 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.076 -0.021 -13.021 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.095 -1.114 -13.976 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.157 -1.780 -11.871 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.873 -2.557 -13.416 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.038 -1.886 -9.350 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.792 -1.878 -7.908 1.00 0.25 C ATOM 1645 C ILE A 110 -3.078 -0.597 -7.477 1.00 0.23 C ATOM 1646 O ILE A 110 -2.295 -0.026 -8.237 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.943 -3.106 -7.499 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.768 -4.385 -7.639 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.407 -2.974 -6.076 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.884 -4.491 -6.630 1.00 0.96 C ATOM 0 H ILE A 110 -3.215 -1.673 -9.913 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.759 -1.923 -7.407 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.085 -3.156 -8.170 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.190 -4.428 -8.643 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -3.109 -5.247 -7.533 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.816 -3.855 -5.826 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.780 -2.085 -6.004 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.241 -2.887 -5.380 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.429 -5.422 -6.786 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -4.467 -4.480 -5.623 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -5.564 -3.648 -6.750 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.351 -0.142 -6.261 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.653 1.019 -5.717 1.00 0.25 C ATOM 1664 C ILE A 111 -1.970 0.632 -4.436 1.00 0.32 C ATOM 1665 O ILE A 111 -2.418 -0.256 -3.764 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.628 2.162 -5.416 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.411 2.523 -6.658 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.913 3.378 -4.855 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.872 2.593 -6.365 1.00 0.53 C ATOM 0 H ILE A 111 -4.044 -0.554 -5.636 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.929 1.356 -6.459 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.323 1.816 -4.651 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.067 3.483 -7.043 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.227 1.783 -7.437 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.639 4.166 -4.655 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.406 3.107 -3.929 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.180 3.735 -5.578 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.413 2.854 -7.274 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.217 1.625 -6.003 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.054 3.351 -5.604 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.882 1.279 -4.112 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.237 1.043 -2.858 1.00 0.20 C ATOM 1683 C VAL A 112 -0.370 2.249 -1.962 1.00 0.20 C ATOM 1684 O VAL A 112 -0.185 3.387 -2.391 1.00 0.23 O ATOM 1685 CB VAL A 112 1.242 0.756 -3.047 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.676 -0.316 -2.102 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.534 0.342 -4.470 1.00 0.22 C ATOM 0 H VAL A 112 -0.427 1.974 -4.704 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.721 0.179 -2.404 1.00 0.20 H new ATOM 0 HB VAL A 112 1.799 1.669 -2.837 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.738 -0.517 -2.243 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.501 0.010 -1.077 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.106 -1.225 -2.296 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.600 0.142 -4.579 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.969 -0.559 -4.710 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.244 1.144 -5.149 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.675 1.985 -0.721 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.734 3.014 0.275 1.00 0.21 C ATOM 1699 C ALA A 113 0.235 2.657 1.372 1.00 0.21 C ATOM 1700 O ALA A 113 -0.107 1.967 2.326 1.00 0.23 O ATOM 1701 CB ALA A 113 -2.143 3.158 0.821 1.00 0.25 C ATOM 0 H ALA A 113 -0.889 1.050 -0.374 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.462 3.974 -0.164 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -2.162 3.945 1.575 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.823 3.416 0.009 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.457 2.216 1.271 1.00 0.25 H new ATOM 1707 N ILE A 114 1.459 3.098 1.188 1.00 0.21 N ATOM 1708 CA ILE A 114 2.501 2.921 2.175 1.00 0.24 C ATOM 1709 C ILE A 114 2.207 3.790 3.395 1.00 0.25 C ATOM 1710 O ILE A 114 2.605 4.951 3.447 1.00 0.30 O ATOM 1711 CB ILE A 114 3.874 3.287 1.579 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.098 2.552 0.253 1.00 0.32 C ATOM 1713 CG2 ILE A 114 4.968 2.942 2.557 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.392 2.923 -0.446 1.00 0.85 C ATOM 0 H ILE A 114 1.761 3.591 0.348 1.00 0.21 H new ATOM 0 HA ILE A 114 2.526 1.875 2.479 1.00 0.24 H new ATOM 0 HB ILE A 114 3.896 4.360 1.386 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.092 1.478 0.439 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.263 2.764 -0.414 1.00 0.32 H new ATOM 0 HG21 ILE A 114 5.935 3.204 2.128 1.00 0.36 H new ATOM 0 HG22 ILE A 114 4.818 3.499 3.482 1.00 0.36 H new ATOM 0 HG23 ILE A 114 4.943 1.873 2.769 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.477 2.361 -1.376 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.394 3.991 -0.666 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.236 2.684 0.201 1.00 0.85 H new ATOM 1726 N ASN A 115 1.506 3.216 4.366 1.00 0.26 N ATOM 1727 CA ASN A 115 1.001 3.969 5.507 1.00 0.31 C ATOM 1728 C ASN A 115 2.022 4.013 6.632 1.00 0.37 C ATOM 1729 O ASN A 115 2.851 3.113 6.759 1.00 0.39 O ATOM 1730 CB ASN A 115 -0.304 3.334 6.008 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.954 4.108 7.143 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.841 5.336 7.229 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.634 3.394 8.028 1.00 0.69 N ATOM 0 H ASN A 115 1.273 2.223 4.385 1.00 0.26 H new ATOM 0 HA ASN A 115 0.810 4.993 5.185 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -1.007 3.262 5.178 1.00 0.39 H new ATOM 0 HB3 ASN A 115 -0.100 2.317 6.342 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -2.088 3.856 8.816 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.704 2.382 7.921 1.00 0.69 H new ATOM 1740 N LYS A 116 1.958 5.082 7.423 1.00 0.49 N ATOM 1741 CA LYS A 116 2.794 5.249 8.610 1.00 0.62 C ATOM 1742 C LYS A 116 4.277 5.114 8.260 1.00 0.57 C ATOM 1743 O LYS A 116 5.078 4.586 9.031 1.00 0.67 O ATOM 1744 CB LYS A 116 2.371 4.243 9.692 1.00 0.78 C ATOM 1745 CG LYS A 116 2.960 4.518 11.070 1.00 1.15 C ATOM 1746 CD LYS A 116 2.235 3.734 12.153 1.00 1.50 C ATOM 1747 CE LYS A 116 2.289 2.235 11.902 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.443 1.485 12.866 1.00 2.61 N ATOM 0 H LYS A 116 1.321 5.861 7.258 1.00 0.49 H new ATOM 0 HA LYS A 116 2.651 6.255 9.005 1.00 0.62 H new ATOM 0 HB2 LYS A 116 1.284 4.245 9.768 1.00 0.78 H new ATOM 0 HB3 LYS A 116 2.667 3.242 9.377 1.00 0.78 H new ATOM 0 HG2 LYS A 116 4.017 4.254 11.074 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.897 5.584 11.287 1.00 1.15 H new ATOM 0 HD2 LYS A 116 2.682 3.956 13.122 1.00 1.50 H new ATOM 0 HD3 LYS A 116 1.195 4.057 12.200 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.957 2.024 10.886 1.00 2.05 H new ATOM 0 HE3 LYS A 116 3.320 1.890 11.978 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 1.505 0.467 12.664 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 1.776 1.666 13.834 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.455 1.796 12.776 1.00 2.61 H new ATOM 1762 N MET A 117 4.633 5.612 7.087 1.00 0.58 N ATOM 1763 CA MET A 117 6.015 5.599 6.639 1.00 0.69 C ATOM 1764 C MET A 117 6.656 6.953 6.935 1.00 0.81 C ATOM 1765 O MET A 117 7.565 7.391 6.237 1.00 1.03 O ATOM 1766 CB MET A 117 6.082 5.257 5.150 1.00 0.85 C ATOM 1767 CG MET A 117 5.795 6.418 4.215 1.00 0.81 C ATOM 1768 SD MET A 117 7.265 6.880 3.275 1.00 1.37 S ATOM 1769 CE MET A 117 7.847 5.255 2.794 1.00 0.65 C ATOM 0 H MET A 117 3.980 6.032 6.425 1.00 0.58 H new ATOM 0 HA MET A 117 6.572 4.832 7.177 1.00 0.69 H new ATOM 0 HB2 MET A 117 7.074 4.866 4.926 1.00 0.85 H new ATOM 0 HB3 MET A 117 5.370 4.458 4.943 1.00 0.85 H new ATOM 0 HG2 MET A 117 4.993 6.146 3.529 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.445 7.274 4.791 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.176 5.279 1.755 1.00 0.65 H new ATOM 0 HE2 MET A 117 8.682 4.964 3.432 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.038 4.532 2.902 1.00 0.65 H new ATOM 1852 N ASN A 123 11.864 1.719 3.282 1.00 0.59 N ATOM 1853 CA ASN A 123 12.481 1.178 2.076 1.00 0.57 C ATOM 1854 C ASN A 123 11.409 0.894 1.028 1.00 0.46 C ATOM 1855 O ASN A 123 11.072 -0.266 0.776 1.00 0.52 O ATOM 1856 CB ASN A 123 13.274 -0.105 2.376 1.00 0.85 C ATOM 1857 CG ASN A 123 14.197 -0.511 1.233 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.927 -0.233 0.063 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.298 -1.173 1.562 1.00 1.84 N ATOM 0 HA ASN A 123 13.179 1.922 1.692 1.00 0.57 H new ATOM 0 HB2 ASN A 123 13.866 0.042 3.280 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.577 -0.918 2.580 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.952 -1.468 0.837 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.491 -1.387 2.540 1.00 1.84 H new ATOM 1866 N PRO A 124 10.819 1.960 0.439 1.00 0.41 N ATOM 1867 CA PRO A 124 9.860 1.847 -0.658 1.00 0.47 C ATOM 1868 C PRO A 124 10.275 0.824 -1.712 1.00 0.42 C ATOM 1869 O PRO A 124 9.559 -0.134 -1.928 1.00 0.40 O ATOM 1870 CB PRO A 124 9.816 3.261 -1.268 1.00 0.66 C ATOM 1871 CG PRO A 124 10.775 4.087 -0.474 1.00 0.70 C ATOM 1872 CD PRO A 124 10.990 3.363 0.824 1.00 0.46 C ATOM 0 HA PRO A 124 8.893 1.498 -0.297 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.099 3.240 -2.320 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.809 3.676 -1.217 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.716 4.210 -1.010 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.374 5.086 -0.299 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.982 3.553 1.235 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.268 3.666 1.582 1.00 0.46 H new ATOM 1880 N ASP A 125 11.442 1.019 -2.329 1.00 0.45 N ATOM 1881 CA ASP A 125 11.926 0.155 -3.425 1.00 0.45 C ATOM 1882 C ASP A 125 11.807 -1.320 -3.099 1.00 0.38 C ATOM 1883 O ASP A 125 11.319 -2.093 -3.921 1.00 0.33 O ATOM 1884 CB ASP A 125 13.382 0.480 -3.734 1.00 0.56 C ATOM 1885 CG ASP A 125 13.986 -0.435 -4.778 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.723 -0.226 -5.984 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.710 -1.380 -4.398 1.00 2.00 O ATOM 0 H ASP A 125 12.082 1.776 -2.089 1.00 0.45 H new ATOM 0 HA ASP A 125 11.295 0.356 -4.291 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.452 1.512 -4.079 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.966 0.410 -2.816 1.00 0.56 H new ATOM 1892 N ARG A 126 12.249 -1.718 -1.914 1.00 0.40 N ATOM 1893 CA ARG A 126 12.118 -3.107 -1.511 1.00 0.40 C ATOM 1894 C ARG A 126 10.662 -3.509 -1.534 1.00 0.34 C ATOM 1895 O ARG A 126 10.276 -4.463 -2.195 1.00 0.32 O ATOM 1896 CB ARG A 126 12.678 -3.350 -0.114 1.00 0.47 C ATOM 1897 CG ARG A 126 12.597 -4.813 0.279 1.00 0.58 C ATOM 1898 CD ARG A 126 13.059 -5.678 -0.878 1.00 1.25 C ATOM 1899 NE ARG A 126 12.905 -7.105 -0.625 1.00 1.38 N ATOM 1900 CZ ARG A 126 13.166 -8.048 -1.530 1.00 2.08 C ATOM 1901 NH1 ARG A 126 13.660 -7.717 -2.719 1.00 2.99 N ATOM 1902 NH2 ARG A 126 12.931 -9.319 -1.247 1.00 2.15 N ATOM 0 H ARG A 126 12.694 -1.109 -1.227 1.00 0.40 H new ATOM 0 HA ARG A 126 12.691 -3.708 -2.217 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.716 -3.021 -0.076 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.126 -2.749 0.608 1.00 0.47 H new ATOM 0 HG2 ARG A 126 13.217 -4.999 1.156 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.574 -5.070 0.552 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.494 -5.411 -1.771 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.107 -5.464 -1.088 1.00 1.25 H new ATOM 0 HE ARG A 126 12.579 -7.398 0.296 1.00 1.38 H new ATOM 0 HH11 ARG A 126 13.841 -6.738 -2.942 1.00 2.99 H new ATOM 0 HH12 ARG A 126 13.858 -8.442 -3.409 1.00 2.99 H new ATOM 0 HH21 ARG A 126 12.550 -9.577 -0.337 1.00 2.15 H new ATOM 0 HH22 ARG A 126 13.131 -10.041 -1.939 1.00 2.15 H new ATOM 1916 N VAL A 127 9.879 -2.753 -0.800 1.00 0.34 N ATOM 1917 CA VAL A 127 8.431 -2.946 -0.740 1.00 0.34 C ATOM 1918 C VAL A 127 7.831 -2.974 -2.147 1.00 0.31 C ATOM 1919 O VAL A 127 7.003 -3.817 -2.465 1.00 0.33 O ATOM 1920 CB VAL A 127 7.747 -1.834 0.090 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.237 -2.028 0.129 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.320 -1.794 1.498 1.00 0.40 C ATOM 0 H VAL A 127 10.219 -1.983 -0.223 1.00 0.34 H new ATOM 0 HA VAL A 127 8.251 -3.904 -0.252 1.00 0.34 H new ATOM 0 HB VAL A 127 7.948 -0.878 -0.394 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.783 -1.232 0.719 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.840 -1.999 -0.886 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.006 -2.992 0.582 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.828 -1.006 2.069 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.153 -2.754 1.986 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.390 -1.593 1.450 1.00 0.40 H new ATOM 1932 N MET A 128 8.286 -2.063 -2.990 1.00 0.28 N ATOM 1933 CA MET A 128 7.821 -1.973 -4.368 1.00 0.26 C ATOM 1934 C MET A 128 8.205 -3.230 -5.146 1.00 0.25 C ATOM 1935 O MET A 128 7.463 -3.687 -6.020 1.00 0.25 O ATOM 1936 CB MET A 128 8.403 -0.720 -5.035 1.00 0.25 C ATOM 1937 CG MET A 128 8.072 0.571 -4.302 1.00 0.27 C ATOM 1938 SD MET A 128 8.988 2.002 -4.906 1.00 0.30 S ATOM 1939 CE MET A 128 8.148 2.326 -6.449 1.00 0.29 C ATOM 0 H MET A 128 8.987 -1.365 -2.741 1.00 0.28 H new ATOM 0 HA MET A 128 6.734 -1.895 -4.370 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.486 -0.823 -5.100 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.027 -0.655 -6.056 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.004 0.768 -4.396 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.280 0.439 -3.240 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.883 2.529 -7.228 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.554 1.456 -6.729 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.494 3.190 -6.333 1.00 0.29 H new ATOM 1949 N GLN A 129 9.358 -3.795 -4.811 1.00 0.25 N ATOM 1950 CA GLN A 129 9.809 -5.041 -5.413 1.00 0.26 C ATOM 1951 C GLN A 129 9.015 -6.225 -4.878 1.00 0.29 C ATOM 1952 O GLN A 129 8.918 -7.255 -5.538 1.00 0.31 O ATOM 1953 CB GLN A 129 11.303 -5.254 -5.169 1.00 0.29 C ATOM 1954 CG GLN A 129 12.193 -4.495 -6.140 1.00 0.31 C ATOM 1955 CD GLN A 129 13.666 -4.662 -5.827 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.079 -5.668 -5.248 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.471 -3.690 -6.215 1.00 1.28 N ATOM 0 H GLN A 129 10.001 -3.406 -4.121 1.00 0.25 H new ATOM 0 HA GLN A 129 9.639 -4.970 -6.487 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.544 -4.946 -4.152 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.526 -6.318 -5.241 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.998 -4.843 -7.154 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.936 -3.436 -6.112 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.091 -2.873 -6.692 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.473 -3.757 -6.038 1.00 1.28 H new ATOM 1966 N GLU A 130 8.453 -6.076 -3.683 1.00 0.33 N ATOM 1967 CA GLU A 130 7.543 -7.080 -3.141 1.00 0.38 C ATOM 1968 C GLU A 130 6.271 -7.069 -3.954 1.00 0.33 C ATOM 1969 O GLU A 130 5.675 -8.106 -4.226 1.00 0.36 O ATOM 1970 CB GLU A 130 7.187 -6.790 -1.683 1.00 0.48 C ATOM 1971 CG GLU A 130 8.364 -6.338 -0.857 1.00 0.71 C ATOM 1972 CD GLU A 130 9.326 -7.463 -0.527 1.00 1.18 C ATOM 1973 OE1 GLU A 130 9.970 -7.995 -1.461 1.00 1.46 O ATOM 1974 OE2 GLU A 130 9.447 -7.828 0.654 1.00 2.02 O ATOM 0 H GLU A 130 8.610 -5.274 -3.073 1.00 0.33 H new ATOM 0 HA GLU A 130 8.038 -8.050 -3.189 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.414 -6.022 -1.651 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.762 -7.688 -1.235 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.900 -5.556 -1.396 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.001 -5.895 0.070 1.00 0.71 H new ATOM 1981 N LEU A 131 5.870 -5.880 -4.369 1.00 0.29 N ATOM 1982 CA LEU A 131 4.646 -5.743 -5.136 1.00 0.29 C ATOM 1983 C LEU A 131 4.846 -6.295 -6.518 1.00 0.24 C ATOM 1984 O LEU A 131 4.014 -7.042 -7.033 1.00 0.25 O ATOM 1985 CB LEU A 131 4.189 -4.293 -5.201 1.00 0.32 C ATOM 1986 CG LEU A 131 3.296 -3.873 -4.042 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.136 -4.824 -3.939 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.069 -3.878 -2.749 1.00 1.06 C ATOM 0 H LEU A 131 6.367 -5.007 -4.191 1.00 0.29 H new ATOM 0 HA LEU A 131 3.863 -6.311 -4.633 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.067 -3.647 -5.223 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.652 -4.133 -6.136 1.00 0.32 H new ATOM 0 HG LEU A 131 2.932 -2.862 -4.225 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.494 -4.526 -3.110 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.564 -4.802 -4.867 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.508 -5.834 -3.766 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.414 -3.575 -1.932 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.449 -4.881 -2.556 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.904 -3.181 -2.822 1.00 1.06 H new ATOM 2000 N MET A 132 5.975 -5.968 -7.099 1.00 0.21 N ATOM 2001 CA MET A 132 6.312 -6.489 -8.396 1.00 0.22 C ATOM 2002 C MET A 132 6.795 -7.930 -8.265 1.00 0.26 C ATOM 2003 O MET A 132 7.110 -8.586 -9.257 1.00 0.32 O ATOM 2004 CB MET A 132 7.343 -5.594 -9.069 1.00 0.23 C ATOM 2005 CG MET A 132 8.778 -5.822 -8.628 1.00 0.26 C ATOM 2006 SD MET A 132 9.713 -6.726 -9.869 1.00 0.35 S ATOM 2007 CE MET A 132 9.038 -5.967 -11.345 1.00 0.32 C ATOM 0 H MET A 132 6.673 -5.345 -6.693 1.00 0.21 H new ATOM 0 HA MET A 132 5.427 -6.496 -9.032 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.282 -5.743 -10.147 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.080 -4.554 -8.875 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.258 -4.862 -8.437 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.788 -6.375 -7.689 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.803 -5.937 -12.121 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.187 -6.550 -11.697 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.713 -4.952 -11.116 1.00 0.32 H new ATOM 2017 N GLU A 133 6.813 -8.429 -7.031 1.00 0.27 N ATOM 2018 CA GLU A 133 7.078 -9.834 -6.781 1.00 0.35 C ATOM 2019 C GLU A 133 5.789 -10.600 -7.011 1.00 0.34 C ATOM 2020 O GLU A 133 5.804 -11.775 -7.378 1.00 0.40 O ATOM 2021 CB GLU A 133 7.601 -10.048 -5.354 1.00 0.44 C ATOM 2022 CG GLU A 133 7.940 -11.489 -5.014 1.00 0.67 C ATOM 2023 CD GLU A 133 8.982 -12.085 -5.937 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.132 -11.597 -5.944 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.662 -13.059 -6.650 1.00 2.18 O ATOM 0 H GLU A 133 6.646 -7.876 -6.191 1.00 0.27 H new ATOM 0 HA GLU A 133 7.851 -10.196 -7.459 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.492 -9.436 -5.212 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.852 -9.689 -4.649 1.00 0.44 H new ATOM 0 HG2 GLU A 133 8.301 -11.539 -3.987 1.00 0.67 H new ATOM 0 HG3 GLU A 133 7.033 -12.091 -5.062 1.00 0.67 H new ATOM 2032 N TYR A 134 4.653 -9.920 -6.811 1.00 0.30 N ATOM 2033 CA TYR A 134 3.379 -10.475 -7.231 1.00 0.34 C ATOM 2034 C TYR A 134 3.065 -9.996 -8.648 1.00 0.36 C ATOM 2035 O TYR A 134 1.968 -10.194 -9.165 1.00 0.44 O ATOM 2036 CB TYR A 134 2.299 -10.100 -6.231 1.00 0.32 C ATOM 2037 CG TYR A 134 2.712 -10.433 -4.818 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.716 -11.742 -4.380 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.035 -9.435 -3.904 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.032 -12.059 -3.077 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.343 -9.741 -2.596 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.607 -11.032 -2.259 1.00 0.57 C ATOM 2043 OH TYR A 134 3.643 -11.364 -0.880 1.00 0.74 O ATOM 0 H TYR A 134 4.598 -9.002 -6.369 1.00 0.30 H new ATOM 0 HA TYR A 134 3.424 -11.564 -7.255 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.086 -9.034 -6.307 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.377 -10.627 -6.475 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.467 -12.533 -5.072 1.00 0.51 H new ATOM 0 HD2 TYR A 134 3.045 -8.404 -4.225 1.00 0.37 H new ATOM 0 HE1 TYR A 134 2.852 -13.049 -2.685 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.374 -8.964 -1.847 1.00 0.49 H new ATOM 0 HH TYR A 134 4.248 -10.752 -0.412 1.00 0.74 H new ATOM 2053 N ASN A 135 4.087 -9.381 -9.260 1.00 0.35 N ATOM 2054 CA ASN A 135 4.046 -8.873 -10.631 1.00 0.38 C ATOM 2055 C ASN A 135 3.185 -7.632 -10.721 1.00 0.42 C ATOM 2056 O ASN A 135 2.543 -7.367 -11.738 1.00 0.59 O ATOM 2057 CB ASN A 135 3.570 -9.935 -11.635 1.00 0.47 C ATOM 2058 CG ASN A 135 4.553 -11.080 -11.786 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.400 -12.134 -11.172 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.581 -10.872 -12.591 1.00 1.89 N ATOM 0 H ASN A 135 4.984 -9.221 -8.801 1.00 0.35 H new ATOM 0 HA ASN A 135 5.069 -8.611 -10.901 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.607 -10.329 -11.311 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.413 -9.466 -12.606 1.00 0.47 H new ATOM 0 HD21 ASN A 135 6.283 -11.601 -12.720 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.672 -9.983 -13.083 1.00 1.89 H new ATOM 2067 N LEU A 136 3.190 -6.863 -9.649 1.00 0.38 N ATOM 2068 CA LEU A 136 2.507 -5.599 -9.625 1.00 0.46 C ATOM 2069 C LEU A 136 3.516 -4.483 -9.651 1.00 0.39 C ATOM 2070 O LEU A 136 3.888 -3.906 -8.629 1.00 0.43 O ATOM 2071 CB LEU A 136 1.592 -5.473 -8.430 1.00 0.62 C ATOM 2072 CG LEU A 136 0.270 -6.219 -8.543 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.457 -7.706 -8.312 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -0.721 -5.646 -7.566 1.00 1.44 C ATOM 0 H LEU A 136 3.666 -7.101 -8.779 1.00 0.38 H new ATOM 0 HA LEU A 136 1.875 -5.535 -10.511 1.00 0.46 H new ATOM 0 HB2 LEU A 136 2.121 -5.835 -7.548 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.381 -4.417 -8.264 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.115 -6.092 -9.555 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.505 -8.212 -8.399 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.146 -8.106 -9.056 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.864 -7.871 -7.315 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.666 -6.182 -7.650 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.334 -5.749 -6.552 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -0.882 -4.591 -7.787 1.00 1.44 H new ATOM 2086 N VAL A 137 3.988 -4.244 -10.842 1.00 0.33 N ATOM 2087 CA VAL A 137 4.989 -3.242 -11.105 1.00 0.27 C ATOM 2088 C VAL A 137 4.464 -1.835 -10.865 1.00 0.26 C ATOM 2089 O VAL A 137 3.424 -1.457 -11.390 1.00 0.27 O ATOM 2090 CB VAL A 137 5.457 -3.353 -12.555 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.530 -2.329 -12.853 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.919 -4.763 -12.846 1.00 0.49 C ATOM 0 H VAL A 137 3.684 -4.748 -11.675 1.00 0.33 H new ATOM 0 HA VAL A 137 5.817 -3.419 -10.418 1.00 0.27 H new ATOM 0 HB VAL A 137 4.619 -3.136 -13.217 1.00 0.27 H new ATOM 0 HG11 VAL A 137 6.848 -2.427 -13.891 1.00 0.61 H new ATOM 0 HG12 VAL A 137 6.133 -1.327 -12.688 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.383 -2.494 -12.195 1.00 0.61 H new ATOM 0 HG21 VAL A 137 6.250 -4.831 -13.882 1.00 0.49 H new ATOM 0 HG22 VAL A 137 6.746 -5.019 -12.183 1.00 0.49 H new ATOM 0 HG23 VAL A 137 5.095 -5.457 -12.683 1.00 0.49 H new ATOM 2102 N PRO A 138 5.177 -1.069 -10.036 1.00 0.25 N ATOM 2103 CA PRO A 138 4.941 0.365 -9.843 1.00 0.27 C ATOM 2104 C PRO A 138 4.792 1.143 -11.138 1.00 0.30 C ATOM 2105 O PRO A 138 5.274 0.734 -12.197 1.00 0.29 O ATOM 2106 CB PRO A 138 6.215 0.826 -9.167 1.00 0.30 C ATOM 2107 CG PRO A 138 6.645 -0.341 -8.371 1.00 0.29 C ATOM 2108 CD PRO A 138 6.247 -1.565 -9.157 1.00 0.27 C ATOM 0 HA PRO A 138 4.015 0.530 -9.292 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.973 1.111 -9.897 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.038 1.696 -8.535 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.722 -0.321 -8.203 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.170 -0.338 -7.390 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.084 -1.966 -9.729 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.894 -2.364 -8.505 1.00 0.27 H new ATOM 2116 N GLU A 139 4.187 2.307 -11.014 1.00 0.35 N ATOM 2117 CA GLU A 139 3.972 3.187 -12.154 1.00 0.40 C ATOM 2118 C GLU A 139 5.235 3.980 -12.438 1.00 0.42 C ATOM 2119 O GLU A 139 5.411 4.520 -13.529 1.00 0.50 O ATOM 2120 CB GLU A 139 2.788 4.124 -11.908 1.00 0.47 C ATOM 2121 CG GLU A 139 1.473 3.396 -11.698 1.00 0.80 C ATOM 2122 CD GLU A 139 1.087 2.552 -12.894 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.777 1.548 -13.164 1.00 2.01 O ATOM 2124 OE2 GLU A 139 0.083 2.890 -13.552 1.00 1.98 O ATOM 0 H GLU A 139 3.832 2.671 -10.130 1.00 0.35 H new ATOM 0 HA GLU A 139 3.735 2.576 -13.025 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.997 4.739 -11.033 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.688 4.801 -12.757 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.549 2.760 -10.816 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.685 4.123 -11.499 1.00 0.80 H new ATOM 2131 N GLU A 140 6.113 4.051 -11.437 1.00 0.42 N ATOM 2132 CA GLU A 140 7.465 4.561 -11.640 1.00 0.44 C ATOM 2133 C GLU A 140 8.138 3.692 -12.680 1.00 0.43 C ATOM 2134 O GLU A 140 8.851 4.165 -13.566 1.00 0.51 O ATOM 2135 CB GLU A 140 8.307 4.454 -10.362 1.00 0.45 C ATOM 2136 CG GLU A 140 7.529 4.537 -9.075 1.00 0.75 C ATOM 2137 CD GLU A 140 6.843 5.870 -8.875 1.00 0.87 C ATOM 2138 OE1 GLU A 140 7.546 6.860 -8.598 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.605 5.931 -9.006 1.00 1.01 O ATOM 0 H GLU A 140 5.911 3.762 -10.480 1.00 0.42 H new ATOM 0 HA GLU A 140 7.394 5.607 -11.940 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.849 3.508 -10.381 1.00 0.45 H new ATOM 0 HB3 GLU A 140 9.053 5.249 -10.369 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.780 3.745 -9.060 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.203 4.354 -8.238 1.00 0.75 H new ATOM 2146 N TRP A 141 7.882 2.396 -12.547 1.00 0.35 N ATOM 2147 CA TRP A 141 8.598 1.392 -13.300 1.00 0.35 C ATOM 2148 C TRP A 141 7.877 1.069 -14.600 1.00 0.38 C ATOM 2149 O TRP A 141 8.513 0.765 -15.607 1.00 0.45 O ATOM 2150 CB TRP A 141 8.824 0.151 -12.447 1.00 0.32 C ATOM 2151 CG TRP A 141 9.325 0.444 -11.048 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.651 1.662 -10.515 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.533 -0.503 -9.997 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.029 1.533 -9.212 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.971 0.208 -8.863 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.383 -1.882 -9.911 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.255 -0.419 -7.652 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.655 -2.510 -8.708 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.087 -1.778 -7.584 1.00 0.23 C ATOM 0 H TRP A 141 7.175 2.020 -11.916 1.00 0.35 H new ATOM 0 HA TRP A 141 9.577 1.788 -13.570 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.888 -0.404 -12.377 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.542 -0.497 -12.950 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.614 2.597 -11.054 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.309 2.297 -8.597 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.060 -2.454 -10.768 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.596 0.146 -6.797 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.534 -3.580 -8.629 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.288 -2.294 -6.657 1.00 0.23 H new ATOM 2170 N GLY A 142 6.550 1.162 -14.598 1.00 0.35 N ATOM 2171 CA GLY A 142 5.811 1.022 -15.838 1.00 0.39 C ATOM 2172 C GLY A 142 4.941 -0.208 -15.842 1.00 0.38 C ATOM 2173 O GLY A 142 4.685 -0.804 -16.891 1.00 0.45 O ATOM 0 H GLY A 142 5.980 1.330 -13.769 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.191 1.905 -15.992 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.510 0.974 -16.673 1.00 0.39 H new ATOM 2177 N GLY A 143 4.514 -0.606 -14.662 1.00 0.33 N ATOM 2178 CA GLY A 143 3.635 -1.749 -14.541 1.00 0.34 C ATOM 2179 C GLY A 143 2.193 -1.345 -14.516 1.00 0.37 C ATOM 2180 O GLY A 143 1.621 -1.005 -15.553 1.00 0.50 O ATOM 0 H GLY A 143 4.759 -0.158 -13.779 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.807 -2.429 -15.375 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.875 -2.296 -13.629 1.00 0.34 H new ATOM 2184 N ASP A 144 1.599 -1.392 -13.339 1.00 0.33 N ATOM 2185 CA ASP A 144 0.234 -0.934 -13.169 1.00 0.40 C ATOM 2186 C ASP A 144 -0.108 -0.752 -11.695 1.00 0.30 C ATOM 2187 O ASP A 144 -1.254 -0.960 -11.272 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.773 -1.892 -13.834 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.761 -3.294 -13.240 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -1.494 -3.539 -12.254 1.00 1.30 O ATOM 2191 OD2 ASP A 144 0.000 -4.156 -13.731 1.00 1.19 O ATOM 0 H ASP A 144 2.039 -1.742 -12.488 1.00 0.33 H new ATOM 0 HA ASP A 144 0.159 0.034 -13.664 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.776 -1.475 -13.740 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.553 -1.956 -14.900 1.00 0.57 H new ATOM 2196 N THR A 145 0.877 -0.351 -10.909 1.00 0.25 N ATOM 2197 CA THR A 145 0.663 -0.218 -9.474 1.00 0.24 C ATOM 2198 C THR A 145 1.154 1.132 -8.943 1.00 0.24 C ATOM 2199 O THR A 145 2.350 1.415 -8.938 1.00 0.31 O ATOM 2200 CB THR A 145 1.349 -1.371 -8.723 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.997 -2.605 -9.358 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.919 -1.416 -7.264 1.00 0.28 C ATOM 0 H THR A 145 1.816 -0.115 -11.230 1.00 0.25 H new ATOM 0 HA THR A 145 -0.412 -0.265 -9.298 1.00 0.24 H new ATOM 0 HB THR A 145 2.427 -1.214 -8.753 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.174 -2.956 -8.958 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.422 -2.242 -6.762 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.186 -0.478 -6.777 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.160 -1.560 -7.207 1.00 0.28 H new ATOM 2210 N ILE A 146 0.214 1.958 -8.490 1.00 0.26 N ATOM 2211 CA ILE A 146 0.528 3.304 -8.020 1.00 0.27 C ATOM 2212 C ILE A 146 1.041 3.285 -6.583 1.00 0.24 C ATOM 2213 O ILE A 146 0.282 3.028 -5.659 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.712 4.214 -8.062 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.399 4.132 -9.426 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.322 5.650 -7.743 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.740 4.830 -9.461 1.00 1.23 C ATOM 0 H ILE A 146 -0.776 1.717 -8.439 1.00 0.26 H new ATOM 0 HA ILE A 146 1.299 3.690 -8.687 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.419 3.870 -7.307 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -0.748 4.573 -10.181 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.535 3.084 -9.695 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.208 6.284 -7.776 1.00 0.34 H new ATOM 0 HG22 ILE A 146 0.119 5.695 -6.747 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.403 6.002 -8.477 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.174 4.735 -10.456 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -3.407 4.374 -8.729 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.607 5.885 -9.223 1.00 1.23 H new ATOM 2229 N PHE A 147 2.317 3.573 -6.399 1.00 0.23 N ATOM 2230 CA PHE A 147 2.906 3.595 -5.064 1.00 0.22 C ATOM 2231 C PHE A 147 2.798 4.968 -4.422 1.00 0.24 C ATOM 2232 O PHE A 147 3.384 5.938 -4.901 1.00 0.38 O ATOM 2233 CB PHE A 147 4.365 3.162 -5.120 1.00 0.23 C ATOM 2234 CG PHE A 147 4.512 1.680 -5.060 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.349 0.918 -6.200 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.847 1.055 -3.876 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.511 -0.449 -6.160 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.017 -0.311 -3.829 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.721 -1.074 -4.925 1.00 0.19 C ATOM 0 H PHE A 147 2.967 3.795 -7.153 1.00 0.23 H new ATOM 0 HA PHE A 147 2.344 2.892 -4.449 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.818 3.534 -6.039 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.909 3.614 -4.291 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.092 1.399 -7.132 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.977 1.642 -2.979 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.477 -1.031 -7.069 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.384 -0.779 -2.928 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.650 -2.148 -4.838 1.00 0.19 H new ATOM 2249 N CYS A 148 2.038 5.042 -3.344 1.00 0.25 N ATOM 2250 CA CYS A 148 1.949 6.254 -2.558 1.00 0.28 C ATOM 2251 C CYS A 148 2.567 6.015 -1.191 1.00 0.26 C ATOM 2252 O CYS A 148 2.324 4.982 -0.577 1.00 0.32 O ATOM 2253 CB CYS A 148 0.493 6.672 -2.385 1.00 0.30 C ATOM 2254 SG CYS A 148 0.283 8.361 -1.765 1.00 1.10 S ATOM 0 H CYS A 148 1.471 4.270 -2.993 1.00 0.25 H new ATOM 0 HA CYS A 148 2.486 7.049 -3.077 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.017 6.581 -3.344 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.006 5.980 -1.698 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.388 9.061 -2.631 1.00 1.10 H new ATOM 2260 N LYS A 149 3.363 6.961 -0.722 1.00 0.37 N ATOM 2261 CA LYS A 149 3.974 6.859 0.593 1.00 0.38 C ATOM 2262 C LYS A 149 3.361 7.896 1.535 1.00 0.39 C ATOM 2263 O LYS A 149 3.873 9.003 1.699 1.00 0.47 O ATOM 2264 CB LYS A 149 5.495 7.024 0.484 1.00 0.47 C ATOM 2265 CG LYS A 149 5.949 8.301 -0.210 1.00 0.64 C ATOM 2266 CD LYS A 149 7.464 8.384 -0.266 1.00 0.94 C ATOM 2267 CE LYS A 149 7.938 9.737 -0.769 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.517 10.846 0.131 1.00 2.44 N ATOM 0 H LYS A 149 3.602 7.810 -1.234 1.00 0.37 H new ATOM 0 HA LYS A 149 3.777 5.871 1.008 1.00 0.38 H new ATOM 0 HB2 LYS A 149 5.922 7.000 1.487 1.00 0.47 H new ATOM 0 HB3 LYS A 149 5.902 6.169 -0.056 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.542 8.333 -1.221 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.554 9.167 0.321 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.875 8.201 0.727 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.847 7.599 -0.919 1.00 0.94 H new ATOM 0 HE2 LYS A 149 9.025 9.732 -0.854 1.00 1.57 H new ATOM 0 HE3 LYS A 149 7.541 9.911 -1.769 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 8.107 11.683 -0.050 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 6.520 11.080 -0.049 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 7.630 10.551 1.122 1.00 2.44 H new ATOM 2282 N LEU A 150 2.240 7.540 2.143 1.00 0.40 N ATOM 2283 CA LEU A 150 1.492 8.479 2.945 1.00 0.45 C ATOM 2284 C LEU A 150 1.678 8.260 4.445 1.00 0.45 C ATOM 2285 O LEU A 150 2.247 7.266 4.898 1.00 0.49 O ATOM 2286 CB LEU A 150 -0.006 8.446 2.570 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.710 7.075 2.453 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -0.157 6.235 1.311 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.665 6.304 3.762 1.00 1.27 C ATOM 0 H LEU A 150 1.833 6.606 2.093 1.00 0.40 H new ATOM 0 HA LEU A 150 1.892 9.468 2.722 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.546 9.033 3.313 1.00 0.60 H new ATOM 0 HB3 LEU A 150 -0.119 8.959 1.615 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.754 7.287 2.223 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.685 5.282 1.272 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -0.295 6.766 0.369 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.906 6.055 1.473 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.170 5.346 3.638 1.00 1.27 H new ATOM 0 HD22 LEU A 150 0.373 6.132 4.048 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.165 6.880 4.541 1.00 1.27 H new ATOM 2301 N SER A 151 1.200 9.229 5.200 1.00 0.49 N ATOM 2302 CA SER A 151 1.171 9.162 6.641 1.00 0.55 C ATOM 2303 C SER A 151 -0.087 9.871 7.123 1.00 0.57 C ATOM 2304 O SER A 151 -0.266 11.063 6.874 1.00 0.60 O ATOM 2305 CB SER A 151 2.424 9.796 7.214 1.00 0.66 C ATOM 2306 OG SER A 151 2.499 9.645 8.623 1.00 1.79 O ATOM 0 H SER A 151 0.817 10.095 4.821 1.00 0.49 H new ATOM 0 HA SER A 151 1.149 8.126 6.980 1.00 0.55 H new ATOM 0 HB2 SER A 151 3.302 9.344 6.754 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.442 10.856 6.961 1.00 0.66 H new ATOM 0 HG SER A 151 3.320 10.065 8.954 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.970 9.125 7.774 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.306 9.608 8.121 1.00 0.70 C ATOM 2314 C ALA A 152 -2.287 10.878 8.971 1.00 0.74 C ATOM 2315 O ALA A 152 -3.235 11.662 8.935 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.087 8.513 8.830 1.00 0.86 C ATOM 0 H ALA A 152 -0.784 8.169 8.077 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.798 9.870 7.184 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.081 8.881 9.085 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.178 7.648 8.173 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.563 8.224 9.741 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.219 11.094 9.727 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.151 12.242 10.608 1.00 0.93 C ATOM 2324 C LYS A 153 -0.676 13.470 9.861 1.00 0.86 C ATOM 2325 O LYS A 153 -1.335 14.511 9.855 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.223 11.962 11.780 1.00 1.13 C ATOM 2327 CG LYS A 153 1.166 11.475 11.406 1.00 1.19 C ATOM 2328 CD LYS A 153 2.087 11.472 12.612 1.00 1.68 C ATOM 2329 CE LYS A 153 3.501 11.099 12.213 1.00 2.31 C ATOM 2330 NZ LYS A 153 4.476 11.351 13.304 1.00 3.03 N ATOM 0 H LYS A 153 -0.396 10.492 9.745 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.155 12.431 10.987 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.124 12.873 12.370 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.691 11.216 12.422 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.102 10.469 10.991 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.582 12.115 10.628 1.00 1.19 H new ATOM 0 HD2 LYS A 153 2.085 12.457 13.079 1.00 1.68 H new ATOM 0 HD3 LYS A 153 1.717 10.766 13.355 1.00 1.68 H new ATOM 0 HE2 LYS A 153 3.533 10.045 11.936 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.790 11.670 11.330 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 5.429 11.082 12.987 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 4.466 12.361 13.552 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 4.217 10.787 14.138 1.00 3.03 H new ATOM 2344 N THR A 154 0.473 13.333 9.236 1.00 0.78 N ATOM 2345 CA THR A 154 1.057 14.412 8.460 1.00 0.81 C ATOM 2346 C THR A 154 0.171 14.757 7.268 1.00 0.73 C ATOM 2347 O THR A 154 0.197 15.879 6.758 1.00 0.82 O ATOM 2348 CB THR A 154 2.472 14.050 7.974 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.444 12.806 7.267 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.435 13.944 9.143 1.00 1.20 C ATOM 0 H THR A 154 1.028 12.477 9.249 1.00 0.78 H new ATOM 0 HA THR A 154 1.131 15.283 9.112 1.00 0.81 H new ATOM 0 HB THR A 154 2.815 14.842 7.308 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.249 12.726 6.714 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.428 13.687 8.774 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.478 14.899 9.667 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.091 13.169 9.829 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.614 13.764 6.846 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.647 13.938 5.824 1.00 0.67 C ATOM 2360 C LYS A 155 -1.040 14.256 4.446 1.00 0.66 C ATOM 2361 O LYS A 155 -1.739 14.690 3.531 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.618 15.043 6.274 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.916 15.120 5.484 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.724 13.833 5.578 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.092 13.483 7.013 1.00 1.39 C ATOM 2366 NZ LYS A 155 -5.855 14.564 7.694 1.00 2.27 N ATOM 0 H LYS A 155 -0.550 12.812 7.206 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.192 13.001 5.713 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.859 14.888 7.326 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.109 16.004 6.202 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.516 15.951 5.854 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.691 15.330 4.438 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.634 13.934 4.987 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.151 13.015 5.143 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.684 12.568 7.018 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -4.182 13.277 7.576 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.416 14.157 8.469 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.192 15.267 8.078 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -6.490 15.024 7.011 1.00 2.27 H new ATOM 2380 N GLU A 156 0.258 14.000 4.297 1.00 0.62 N ATOM 2381 CA GLU A 156 0.978 14.301 3.056 1.00 0.66 C ATOM 2382 C GLU A 156 0.470 13.437 1.905 1.00 0.59 C ATOM 2383 O GLU A 156 -0.239 13.904 1.005 1.00 0.58 O ATOM 2384 CB GLU A 156 2.472 14.032 3.235 1.00 0.75 C ATOM 2385 CG GLU A 156 3.049 14.534 4.545 1.00 1.13 C ATOM 2386 CD GLU A 156 4.409 13.933 4.831 1.00 1.78 C ATOM 2387 OE1 GLU A 156 5.419 14.513 4.376 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.475 12.889 5.511 1.00 2.64 O ATOM 0 H GLU A 156 0.838 13.582 5.024 1.00 0.62 H new ATOM 0 HA GLU A 156 0.808 15.352 2.824 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.646 12.958 3.164 1.00 0.75 H new ATOM 0 HB3 GLU A 156 3.013 14.498 2.412 1.00 0.75 H new ATOM 0 HG2 GLU A 156 3.132 15.620 4.512 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.366 14.291 5.359 1.00 1.13 H new ATOM 2395 N GLY A 157 0.828 12.159 1.969 1.00 0.62 N ATOM 2396 CA GLY A 157 0.506 11.224 0.917 1.00 0.61 C ATOM 2397 C GLY A 157 -0.984 11.046 0.711 1.00 0.48 C ATOM 2398 O GLY A 157 -1.409 10.530 -0.315 1.00 0.46 O ATOM 0 H GLY A 157 1.345 11.752 2.748 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.957 11.566 -0.015 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.952 10.257 1.150 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.775 11.465 1.690 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.227 11.356 1.601 1.00 0.50 C ATOM 2404 C LEU A 158 -3.756 12.164 0.424 1.00 0.46 C ATOM 2405 O LEU A 158 -4.565 11.677 -0.364 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.886 11.832 2.896 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.023 10.779 4.004 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.887 9.621 3.530 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -2.660 10.279 4.460 1.00 1.27 C ATOM 0 H LEU A 158 -1.436 11.884 2.556 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.475 10.306 1.446 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.310 12.670 3.287 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.879 12.212 2.657 1.00 0.62 H new ATOM 0 HG LEU A 158 -4.508 11.250 4.859 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.975 8.882 4.327 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.878 9.990 3.267 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -4.428 9.159 2.656 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -2.790 9.534 5.245 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -2.136 9.829 3.616 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -2.076 11.115 4.846 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.273 13.391 0.296 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.692 14.261 -0.794 1.00 0.57 C ATOM 2423 C ASP A 159 -3.107 13.773 -2.110 1.00 0.50 C ATOM 2424 O ASP A 159 -3.793 13.728 -3.134 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.258 15.702 -0.530 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.749 16.660 -1.596 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.874 17.183 -1.456 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -3.016 16.901 -2.579 1.00 2.50 O ATOM 0 H ASP A 159 -2.592 13.806 0.932 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.780 14.233 -0.858 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.636 16.020 0.442 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.170 15.747 -0.479 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.837 13.377 -2.068 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.155 12.875 -3.257 1.00 0.46 C ATOM 2435 C HIS A 160 -1.763 11.548 -3.713 1.00 0.41 C ATOM 2436 O HIS A 160 -1.618 11.152 -4.864 1.00 0.43 O ATOM 2437 CB HIS A 160 0.345 12.710 -2.988 1.00 0.50 C ATOM 2438 CG HIS A 160 1.144 12.317 -4.202 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.382 13.171 -5.257 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.759 11.152 -4.524 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.109 12.553 -6.169 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.354 11.328 -5.749 1.00 0.67 N ATOM 0 H HIS A 160 -1.261 13.394 -1.226 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.286 13.604 -4.056 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.739 13.647 -2.594 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.484 11.955 -2.214 1.00 0.50 H new ATOM 0 HD1 HIS A 160 1.048 14.132 -5.323 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.777 10.252 -3.927 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.446 12.979 -7.102 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.438 10.865 -2.807 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.106 9.618 -3.141 1.00 0.39 C ATOM 2453 C LEU A 161 -4.339 9.897 -3.986 1.00 0.39 C ATOM 2454 O LEU A 161 -4.513 9.319 -5.056 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.497 8.857 -1.874 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.213 7.528 -2.106 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.352 6.596 -2.944 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.572 6.880 -0.777 1.00 0.88 C ATOM 0 H LEU A 161 -2.539 11.152 -1.833 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.415 8.999 -3.713 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.596 8.668 -1.291 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.140 9.497 -1.270 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.135 7.723 -2.653 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -3.879 5.654 -3.099 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.147 7.060 -3.909 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.412 6.405 -2.426 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.082 5.934 -0.959 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.663 6.698 -0.204 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.229 7.543 -0.214 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.177 10.807 -3.503 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.405 11.173 -4.192 1.00 0.44 C ATOM 2472 C LEU A 162 -6.118 11.641 -5.614 1.00 0.45 C ATOM 2473 O LEU A 162 -6.842 11.290 -6.546 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.120 12.280 -3.419 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.532 11.920 -1.991 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.171 13.118 -1.303 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.490 10.739 -1.996 1.00 1.06 C ATOM 0 H LEU A 162 -5.024 11.308 -2.628 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.043 10.291 -4.245 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.469 13.153 -3.382 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.012 12.570 -3.974 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.638 11.638 -1.435 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.458 12.844 -0.288 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.457 13.941 -1.269 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.056 13.428 -1.859 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.773 10.496 -0.972 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.382 10.996 -2.568 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.003 9.877 -2.452 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.039 12.405 -5.782 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.709 12.960 -7.091 1.00 0.52 C ATOM 2491 C GLU A 163 -4.263 11.855 -8.048 1.00 0.51 C ATOM 2492 O GLU A 163 -4.522 11.928 -9.245 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.637 14.055 -6.987 1.00 0.62 C ATOM 2494 CG GLU A 163 -2.255 13.547 -6.619 1.00 1.06 C ATOM 2495 CD GLU A 163 -1.197 14.626 -6.675 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -0.911 15.128 -7.780 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -0.627 14.963 -5.619 1.00 2.49 O ATOM 0 H GLU A 163 -4.387 12.651 -5.037 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.612 13.421 -7.491 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.576 14.579 -7.941 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.952 14.786 -6.242 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -2.284 13.126 -5.614 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -1.978 12.739 -7.296 1.00 1.06 H new ATOM 2504 N MET A 164 -3.613 10.822 -7.517 1.00 0.49 N ATOM 2505 CA MET A 164 -3.197 9.685 -8.334 1.00 0.52 C ATOM 2506 C MET A 164 -4.409 8.842 -8.704 1.00 0.51 C ATOM 2507 O MET A 164 -4.543 8.385 -9.841 1.00 0.57 O ATOM 2508 CB MET A 164 -2.168 8.819 -7.596 1.00 0.53 C ATOM 2509 CG MET A 164 -0.840 9.507 -7.302 1.00 0.68 C ATOM 2510 SD MET A 164 0.080 9.971 -8.789 1.00 0.87 S ATOM 2511 CE MET A 164 -0.702 11.521 -9.227 1.00 0.67 C ATOM 0 H MET A 164 -3.364 10.749 -6.531 1.00 0.49 H new ATOM 0 HA MET A 164 -2.731 10.071 -9.240 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.604 8.486 -6.654 1.00 0.53 H new ATOM 0 HB3 MET A 164 -1.974 7.926 -8.190 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.027 10.401 -6.707 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.223 8.844 -6.695 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.391 11.815 -10.229 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.785 11.401 -9.204 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.407 12.291 -8.515 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.292 8.659 -7.730 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.521 7.913 -7.904 1.00 0.51 C ATOM 2523 C ILE A 165 -7.339 8.462 -9.079 1.00 0.58 C ATOM 2524 O ILE A 165 -7.730 7.715 -9.978 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.340 7.980 -6.597 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.675 7.127 -5.517 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.769 7.545 -6.821 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.342 7.229 -4.162 1.00 0.50 C ATOM 0 H ILE A 165 -5.169 9.031 -6.788 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.277 6.875 -8.131 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.363 9.017 -6.261 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.679 6.085 -5.836 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.631 7.427 -5.422 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.319 7.604 -5.882 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.237 8.199 -7.557 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.784 6.518 -7.186 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.814 6.596 -3.448 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.314 8.264 -3.820 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.378 6.901 -4.241 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.573 9.774 -9.086 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.377 10.388 -10.130 1.00 0.72 C ATOM 2542 C LEU A 166 -7.614 10.523 -11.441 1.00 0.72 C ATOM 2543 O LEU A 166 -8.195 10.367 -12.517 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.905 11.752 -9.690 1.00 0.82 C ATOM 2545 CG LEU A 166 -7.897 12.717 -9.055 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.192 13.552 -10.116 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.595 13.619 -8.047 1.00 1.48 C ATOM 0 H LEU A 166 -7.218 10.424 -8.384 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.222 9.721 -10.303 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.342 12.243 -10.560 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.713 11.588 -8.977 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.142 12.126 -8.537 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.483 14.227 -9.636 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -6.659 12.894 -10.802 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -7.929 14.134 -10.670 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -7.868 14.299 -7.603 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.371 14.195 -8.551 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.046 13.009 -7.264 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.322 10.820 -11.347 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.470 10.967 -12.527 1.00 0.79 C ATOM 2561 C LEU A 167 -5.592 9.748 -13.430 1.00 0.87 C ATOM 2562 O LEU A 167 -5.554 9.859 -14.650 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.004 11.162 -12.120 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.020 11.332 -13.285 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.331 12.595 -14.077 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.588 11.358 -12.773 1.00 1.41 C ATOM 0 H LEU A 167 -5.838 10.965 -10.461 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.804 11.850 -13.073 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.936 12.039 -11.477 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.692 10.305 -11.524 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.131 10.478 -13.953 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.620 12.694 -14.898 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.342 12.533 -14.478 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.253 13.463 -13.423 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.904 11.479 -13.613 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.464 12.191 -12.081 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.369 10.423 -12.258 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.787 8.596 -12.818 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.853 7.349 -13.545 1.00 0.96 C ATOM 2580 C VAL A 168 -7.217 7.177 -14.195 1.00 1.01 C ATOM 2581 O VAL A 168 -7.316 6.725 -15.338 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.535 6.165 -12.615 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.004 4.857 -13.217 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.044 6.120 -12.342 1.00 1.14 C ATOM 0 H VAL A 168 -5.903 8.501 -11.809 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.103 7.372 -14.336 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.069 6.307 -11.675 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -5.766 4.038 -12.538 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.082 4.895 -13.376 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.502 4.695 -14.171 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.820 5.281 -11.683 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.506 5.997 -13.282 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.733 7.049 -11.865 1.00 1.14 H new