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 138:sc= 0.319 USER MOD Set 1.2: A 154 THR OG1 : rot 147:sc= 1.5 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 95 GLN : amide:sc= 0 X(o=-1.3,f=-1.2) USER MOD Set 3.1: A 49 GLN : amide:sc= 1.07 X(o=2.4,f=2.3) USER MOD Set 3.2: A 58 THR OG1 : rot -83:sc= 1.33 USER MOD Set 4.1: A 23 THR OG1 : rot 39:sc= 0.53 USER MOD Set 4.2: A 115 ASN : amide:sc= -0.852 K(o=-0.32,f=-3.1!) USER MOD Set 5.1: A 19 HIS : no HD1:sc= -3.79! C(o=-4.2!,f=-7.7!) USER MOD Set 5.2: A 96 THR OG1 : rot -63:sc= -0.412 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -135:sc= 0 (180deg=-1.35) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 30 HIS : no HE2:sc= 0.553 K(o=0.55,f=-2.5!) USER MOD Single : A 31 SER OG : rot 53:sc= 0.149 USER MOD Single : A 48 TYR OH : rot 89:sc= -1 USER MOD Single : A 93 MET CE :methyl 163:sc= -0.797 (180deg=-1.95!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 104 LYS NZ :NH3+ 140:sc= 0.928 (180deg=0.112) USER MOD Single : A 107 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.0068) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -105:sc= -0.504 (180deg=-2.81!) USER MOD Single : A 123 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.4!) USER MOD Single : A 128 MET CE :methyl -137:sc= -2.21 (180deg=-4.05!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 132 MET CE :methyl 157:sc= -3.14! (180deg=-5.21!) USER MOD Single : A 134 TYR OH : rot 165:sc= -0.0357 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 THR OG1 : rot -70:sc= -2.63! USER MOD Single : A 148 CYS SG : rot 70:sc= -0.52 USER MOD Single : A 149 LYS NZ :NH3+ -171:sc= -0.0432 (180deg=-0.192) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 143:sc= 0.977 (180deg=-0.885) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl 144:sc= -2.42! (180deg=-4.66!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.701 2.241 -5.326 1.00 0.67 N ATOM 156 CA VAL A 11 -13.376 1.736 -5.062 1.00 0.60 C ATOM 157 C VAL A 11 -13.372 0.796 -3.861 1.00 0.56 C ATOM 158 O VAL A 11 -14.158 0.956 -2.922 1.00 0.74 O ATOM 159 CB VAL A 11 -12.363 2.876 -4.859 1.00 0.61 C ATOM 160 CG1 VAL A 11 -12.467 3.888 -5.988 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.527 3.552 -3.514 1.00 0.98 C ATOM 0 HA VAL A 11 -13.069 1.169 -5.941 1.00 0.60 H new ATOM 0 HB VAL A 11 -11.367 2.433 -4.875 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -11.743 4.687 -5.828 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -12.260 3.396 -6.938 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -13.473 4.308 -6.009 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.791 4.350 -3.416 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -13.530 3.972 -3.438 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.379 2.821 -2.719 1.00 0.98 H new ATOM 171 N THR A 12 -12.495 -0.191 -3.911 1.00 0.46 N ATOM 172 CA THR A 12 -12.393 -1.185 -2.862 1.00 0.45 C ATOM 173 C THR A 12 -11.102 -0.988 -2.076 1.00 0.39 C ATOM 174 O THR A 12 -10.017 -0.938 -2.660 1.00 0.43 O ATOM 175 CB THR A 12 -12.413 -2.606 -3.456 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.518 -2.740 -4.356 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.518 -3.658 -2.361 1.00 0.62 C ATOM 0 H THR A 12 -11.836 -0.324 -4.678 1.00 0.46 H new ATOM 0 HA THR A 12 -13.248 -1.065 -2.197 1.00 0.45 H new ATOM 0 HB THR A 12 -11.478 -2.762 -3.994 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.525 -3.645 -4.732 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.530 -4.651 -2.810 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.662 -3.573 -1.691 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.437 -3.504 -1.796 1.00 0.62 H new ATOM 185 N ILE A 13 -11.216 -0.862 -0.761 1.00 0.39 N ATOM 186 CA ILE A 13 -10.040 -0.683 0.070 1.00 0.38 C ATOM 187 C ILE A 13 -9.478 -2.031 0.506 1.00 0.37 C ATOM 188 O ILE A 13 -10.134 -2.807 1.205 1.00 0.51 O ATOM 189 CB ILE A 13 -10.320 0.201 1.303 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.814 1.581 0.859 1.00 0.86 C ATOM 191 CG2 ILE A 13 -9.062 0.334 2.150 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.942 2.575 1.993 1.00 1.03 C ATOM 0 H ILE A 13 -12.101 -0.880 -0.254 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.299 -0.166 -0.540 1.00 0.38 H new ATOM 0 HB ILE A 13 -11.096 -0.270 1.906 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -10.127 1.981 0.113 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.783 1.471 0.373 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -9.272 0.960 3.017 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.742 -0.653 2.484 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -8.270 0.790 1.556 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -11.297 3.529 1.602 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.652 2.198 2.729 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.970 2.715 2.465 1.00 1.03 H new ATOM 204 N MET A 14 -8.263 -2.296 0.069 1.00 0.31 N ATOM 205 CA MET A 14 -7.586 -3.557 0.346 1.00 0.35 C ATOM 206 C MET A 14 -6.296 -3.301 1.118 1.00 0.29 C ATOM 207 O MET A 14 -5.967 -2.155 1.419 1.00 0.46 O ATOM 208 CB MET A 14 -7.279 -4.296 -0.959 1.00 0.56 C ATOM 209 CG MET A 14 -8.507 -4.877 -1.645 1.00 0.75 C ATOM 210 SD MET A 14 -9.301 -6.167 -0.664 1.00 1.04 S ATOM 211 CE MET A 14 -10.547 -6.743 -1.815 1.00 0.77 C ATOM 0 H MET A 14 -7.712 -1.644 -0.490 1.00 0.31 H new ATOM 0 HA MET A 14 -8.244 -4.179 0.952 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.783 -3.610 -1.645 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.576 -5.103 -0.751 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.224 -4.079 -1.837 1.00 0.75 H new ATOM 0 HG3 MET A 14 -8.219 -5.287 -2.613 1.00 0.75 H new ATOM 0 HE1 MET A 14 -11.498 -6.855 -1.295 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.658 -6.020 -2.623 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.244 -7.705 -2.228 1.00 0.77 H new ATOM 221 N GLY A 15 -5.558 -4.361 1.430 1.00 0.34 N ATOM 222 CA GLY A 15 -4.383 -4.214 2.234 1.00 0.45 C ATOM 223 C GLY A 15 -4.646 -4.719 3.621 1.00 0.62 C ATOM 224 O GLY A 15 -5.688 -4.413 4.204 1.00 1.55 O ATOM 0 H GLY A 15 -5.762 -5.316 1.135 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.555 -4.766 1.788 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.085 -3.166 2.270 1.00 0.45 H new ATOM 228 N HIS A 16 -3.743 -5.540 4.112 1.00 0.51 N ATOM 229 CA HIS A 16 -3.841 -6.074 5.469 1.00 0.45 C ATOM 230 C HIS A 16 -4.222 -4.978 6.466 1.00 0.49 C ATOM 231 O HIS A 16 -3.685 -3.869 6.450 1.00 0.64 O ATOM 232 CB HIS A 16 -2.538 -6.750 5.905 1.00 0.43 C ATOM 233 CG HIS A 16 -2.627 -7.319 7.290 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.526 -8.313 7.589 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.971 -6.964 8.421 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.404 -8.538 8.883 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.474 -7.744 9.432 1.00 0.59 N ATOM 0 H HIS A 16 -2.924 -5.859 3.594 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.628 -6.828 5.460 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.292 -7.546 5.203 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.724 -6.026 5.864 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.201 -6.212 8.510 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.980 -9.269 9.431 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.194 -7.723 10.413 1.00 0.59 H new ATOM 245 N VAL A 17 -5.156 -5.339 7.338 1.00 0.53 N ATOM 246 CA VAL A 17 -5.860 -4.397 8.202 1.00 0.67 C ATOM 247 C VAL A 17 -4.916 -3.565 9.064 1.00 0.64 C ATOM 248 O VAL A 17 -5.141 -2.369 9.264 1.00 0.78 O ATOM 249 CB VAL A 17 -6.838 -5.144 9.134 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.896 -4.197 9.683 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.474 -6.327 8.414 1.00 1.62 C ATOM 0 H VAL A 17 -5.450 -6.307 7.467 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.400 -3.723 7.537 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.272 -5.534 9.980 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.573 -4.747 10.337 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -7.413 -3.400 10.249 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -8.461 -3.764 8.857 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.159 -6.839 9.090 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -8.023 -5.970 7.542 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -6.695 -7.020 8.094 1.00 1.62 H new ATOM 261 N ASP A 18 -3.863 -4.194 9.563 1.00 0.57 N ATOM 262 CA ASP A 18 -2.984 -3.552 10.535 1.00 0.61 C ATOM 263 C ASP A 18 -2.015 -2.576 9.869 1.00 0.56 C ATOM 264 O ASP A 18 -1.457 -1.702 10.533 1.00 0.69 O ATOM 265 CB ASP A 18 -2.208 -4.607 11.328 1.00 0.69 C ATOM 266 CG ASP A 18 -1.452 -4.012 12.502 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.092 -3.681 13.524 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.211 -3.885 12.416 1.00 1.78 O ATOM 0 H ASP A 18 -3.595 -5.146 9.313 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.613 -2.980 11.217 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.901 -5.365 11.693 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.505 -5.111 10.665 1.00 0.69 H new ATOM 273 N HIS A 19 -1.829 -2.707 8.555 1.00 0.46 N ATOM 274 CA HIS A 19 -0.958 -1.797 7.824 1.00 0.48 C ATOM 275 C HIS A 19 -1.522 -0.386 7.858 1.00 0.58 C ATOM 276 O HIS A 19 -0.779 0.594 7.859 1.00 0.65 O ATOM 277 CB HIS A 19 -0.764 -2.260 6.381 1.00 0.46 C ATOM 278 CG HIS A 19 0.184 -3.410 6.244 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.015 -4.396 5.311 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.324 -3.674 6.929 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.999 -5.229 5.448 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.832 -4.836 6.411 1.00 0.48 N ATOM 0 H HIS A 19 -2.267 -3.429 7.983 1.00 0.46 H new ATOM 0 HA HIS A 19 0.017 -1.798 8.311 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.731 -2.545 5.967 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.396 -1.424 5.786 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.749 -3.083 7.727 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.137 -6.120 4.853 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.685 -5.310 6.706 1.00 0.48 H new ATOM 290 N GLY A 20 -2.844 -0.291 7.906 1.00 0.76 N ATOM 291 CA GLY A 20 -3.473 0.992 8.117 1.00 0.90 C ATOM 292 C GLY A 20 -4.336 1.440 6.962 1.00 0.81 C ATOM 293 O GLY A 20 -4.148 2.532 6.431 1.00 0.93 O ATOM 0 H GLY A 20 -3.487 -1.076 7.803 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.084 0.944 9.019 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.701 1.741 8.295 1.00 0.90 H new ATOM 297 N LYS A 21 -5.292 0.614 6.567 1.00 0.79 N ATOM 298 CA LYS A 21 -6.264 1.044 5.578 1.00 0.87 C ATOM 299 C LYS A 21 -7.417 1.722 6.299 1.00 0.89 C ATOM 300 O LYS A 21 -8.137 2.543 5.735 1.00 0.93 O ATOM 301 CB LYS A 21 -6.759 -0.122 4.721 1.00 1.09 C ATOM 302 CG LYS A 21 -7.389 -1.257 5.505 1.00 1.20 C ATOM 303 CD LYS A 21 -8.176 -2.167 4.583 1.00 1.39 C ATOM 304 CE LYS A 21 -8.900 -3.254 5.349 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.048 -3.788 4.574 1.00 2.11 N ATOM 0 H LYS A 21 -5.414 -0.339 6.909 1.00 0.79 H new ATOM 0 HA LYS A 21 -5.790 1.748 4.894 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.488 0.255 4.003 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.920 -0.516 4.147 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.614 -1.829 6.015 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.046 -0.854 6.275 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.899 -1.577 4.020 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.501 -2.621 3.858 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.207 -4.063 5.579 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.254 -2.857 6.300 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.524 -4.531 5.125 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.720 -3.020 4.376 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -9.705 -4.188 3.677 1.00 2.11 H new ATOM 319 N THR A 22 -7.547 1.383 7.575 1.00 0.92 N ATOM 320 CA THR A 22 -8.541 1.979 8.445 1.00 1.00 C ATOM 321 C THR A 22 -8.211 3.450 8.684 1.00 0.99 C ATOM 322 O THR A 22 -9.100 4.297 8.791 1.00 1.03 O ATOM 323 CB THR A 22 -8.564 1.229 9.785 1.00 1.10 C ATOM 324 OG1 THR A 22 -8.088 -0.112 9.581 1.00 1.80 O ATOM 325 CG2 THR A 22 -9.969 1.188 10.370 1.00 1.65 C ATOM 0 H THR A 22 -6.962 0.684 8.033 1.00 0.92 H new ATOM 0 HA THR A 22 -9.520 1.908 7.972 1.00 1.00 H new ATOM 0 HB THR A 22 -7.920 1.756 10.489 1.00 1.10 H new ATOM 0 HG1 THR A 22 -8.098 -0.596 10.433 1.00 1.80 H new ATOM 0 HG21 THR A 22 -9.953 0.651 11.318 1.00 1.65 H new ATOM 0 HG22 THR A 22 -10.324 2.205 10.535 1.00 1.65 H new ATOM 0 HG23 THR A 22 -10.637 0.679 9.676 1.00 1.65 H new ATOM 333 N THR A 23 -6.918 3.745 8.747 1.00 0.99 N ATOM 334 CA THR A 23 -6.452 5.108 8.931 1.00 1.02 C ATOM 335 C THR A 23 -6.684 5.942 7.673 1.00 0.96 C ATOM 336 O THR A 23 -6.791 7.157 7.751 1.00 0.96 O ATOM 337 CB THR A 23 -4.964 5.141 9.327 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.263 4.079 8.671 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.801 5.004 10.833 1.00 1.41 C ATOM 0 H THR A 23 -6.173 3.053 8.673 1.00 0.99 H new ATOM 0 HA THR A 23 -7.031 5.544 9.745 1.00 1.02 H new ATOM 0 HB THR A 23 -4.549 6.100 9.018 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.608 3.973 7.760 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.742 5.030 11.088 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.315 5.827 11.331 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.230 4.057 11.161 1.00 1.41 H new ATOM 347 N LEU A 24 -6.763 5.288 6.518 1.00 0.96 N ATOM 348 CA LEU A 24 -7.169 5.964 5.284 1.00 0.96 C ATOM 349 C LEU A 24 -8.591 6.449 5.434 1.00 0.89 C ATOM 350 O LEU A 24 -8.856 7.632 5.303 1.00 0.91 O ATOM 351 CB LEU A 24 -7.055 5.019 4.084 1.00 1.06 C ATOM 352 CG LEU A 24 -5.654 4.460 3.826 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.674 3.503 2.645 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.664 5.591 3.582 1.00 1.57 C ATOM 0 H LEU A 24 -6.553 4.296 6.408 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.508 6.812 5.106 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -7.740 4.184 4.233 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.387 5.549 3.191 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.333 3.909 4.710 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -4.670 3.114 2.475 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -6.352 2.676 2.858 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -6.014 4.031 1.754 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -3.673 5.174 3.400 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.979 6.169 2.714 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.630 6.240 4.457 1.00 1.57 H new ATOM 366 N LEU A 25 -9.488 5.536 5.768 1.00 0.88 N ATOM 367 CA LEU A 25 -10.891 5.872 5.958 1.00 0.91 C ATOM 368 C LEU A 25 -11.033 7.048 6.920 1.00 0.89 C ATOM 369 O LEU A 25 -11.780 7.988 6.666 1.00 0.92 O ATOM 370 CB LEU A 25 -11.636 4.653 6.501 1.00 1.02 C ATOM 371 CG LEU A 25 -13.159 4.680 6.349 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.705 3.266 6.294 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.804 5.447 7.496 1.00 1.96 C ATOM 0 H LEU A 25 -9.269 4.551 5.914 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.321 6.161 4.999 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.255 3.764 5.998 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.397 4.547 7.559 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.401 5.190 5.416 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.789 3.299 6.186 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.271 2.741 5.443 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.448 2.741 7.214 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.886 5.453 7.367 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.554 4.966 8.442 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.434 6.472 7.502 1.00 1.96 H new ATOM 385 N ASP A 26 -10.292 6.984 8.015 1.00 0.91 N ATOM 386 CA ASP A 26 -10.341 8.020 9.044 1.00 0.96 C ATOM 387 C ASP A 26 -9.663 9.320 8.601 1.00 0.92 C ATOM 388 O ASP A 26 -10.254 10.396 8.698 1.00 0.95 O ATOM 389 CB ASP A 26 -9.697 7.530 10.323 1.00 1.05 C ATOM 390 CG ASP A 26 -9.863 8.513 11.464 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.153 9.540 11.476 1.00 1.38 O ATOM 392 OD2 ASP A 26 -10.701 8.265 12.353 1.00 1.35 O ATOM 0 H ASP A 26 -9.645 6.222 8.218 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.395 8.235 9.218 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.136 6.573 10.604 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.635 7.355 10.149 1.00 1.05 H new ATOM 397 N ALA A 27 -8.420 9.229 8.131 1.00 0.89 N ATOM 398 CA ALA A 27 -7.661 10.417 7.744 1.00 0.89 C ATOM 399 C ALA A 27 -8.270 11.081 6.524 1.00 0.85 C ATOM 400 O ALA A 27 -8.310 12.304 6.437 1.00 0.90 O ATOM 401 CB ALA A 27 -6.205 10.084 7.473 1.00 0.91 C ATOM 0 H ALA A 27 -7.919 8.349 8.009 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.706 11.111 8.583 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.671 10.991 7.188 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.754 9.665 8.373 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.143 9.357 6.664 1.00 0.91 H new ATOM 407 N ILE A 28 -8.739 10.272 5.586 1.00 0.82 N ATOM 408 CA ILE A 28 -9.411 10.785 4.406 1.00 0.83 C ATOM 409 C ILE A 28 -10.738 11.424 4.811 1.00 0.88 C ATOM 410 O ILE A 28 -11.138 12.454 4.267 1.00 0.94 O ATOM 411 CB ILE A 28 -9.651 9.677 3.359 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.328 9.106 2.847 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.454 10.212 2.202 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.504 7.979 1.845 1.00 0.95 C ATOM 0 H ILE A 28 -8.665 9.255 5.621 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.767 11.535 3.947 1.00 0.83 H new ATOM 0 HB ILE A 28 -10.209 8.876 3.845 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -7.750 9.906 2.384 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -7.746 8.742 3.694 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.614 9.418 1.473 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.417 10.573 2.563 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -9.912 11.033 1.732 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -7.526 7.621 1.524 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.054 7.161 2.310 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.058 8.344 0.980 1.00 0.95 H new ATOM 426 N ARG A 29 -11.401 10.824 5.792 1.00 0.93 N ATOM 427 CA ARG A 29 -12.578 11.432 6.399 1.00 1.04 C ATOM 428 C ARG A 29 -12.207 12.788 7.002 1.00 1.08 C ATOM 429 O ARG A 29 -12.960 13.753 6.918 1.00 1.17 O ATOM 430 CB ARG A 29 -13.165 10.505 7.478 1.00 1.16 C ATOM 431 CG ARG A 29 -14.074 11.200 8.486 1.00 1.33 C ATOM 432 CD ARG A 29 -15.378 11.670 7.860 1.00 1.58 C ATOM 433 NE ARG A 29 -16.294 10.563 7.588 1.00 2.13 N ATOM 434 CZ ARG A 29 -17.388 10.666 6.838 1.00 2.85 C ATOM 435 NH1 ARG A 29 -17.700 11.820 6.260 1.00 3.29 N ATOM 436 NH2 ARG A 29 -18.177 9.615 6.675 1.00 3.56 N ATOM 0 H ARG A 29 -11.144 9.918 6.184 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.336 11.583 5.630 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.728 9.710 6.988 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -12.344 10.030 8.016 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.293 10.516 9.306 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.551 12.055 8.915 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.862 12.384 8.527 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.163 12.197 6.931 1.00 1.58 H new ATOM 0 HE ARG A 29 -16.081 9.654 7.999 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -17.099 12.634 6.390 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -18.540 11.892 5.686 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -17.945 8.729 7.124 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -19.016 9.692 6.100 1.00 3.56 H new ATOM 450 N HIS A 30 -11.024 12.845 7.597 1.00 1.05 N ATOM 451 CA HIS A 30 -10.503 14.070 8.181 1.00 1.13 C ATOM 452 C HIS A 30 -9.797 14.930 7.134 1.00 1.15 C ATOM 453 O HIS A 30 -9.016 15.818 7.470 1.00 1.32 O ATOM 454 CB HIS A 30 -9.557 13.749 9.328 1.00 1.23 C ATOM 455 CG HIS A 30 -10.238 13.359 10.589 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.224 12.084 11.122 1.00 2.44 N ATOM 457 CD2 HIS A 30 -10.952 14.105 11.427 1.00 2.01 C ATOM 458 CE1 HIS A 30 -10.917 12.078 12.245 1.00 2.88 C ATOM 459 NE2 HIS A 30 -11.372 13.297 12.455 1.00 2.60 N ATOM 0 H HIS A 30 -10.400 12.043 7.688 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.347 14.641 8.568 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.894 12.940 9.021 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.930 14.619 9.521 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -9.753 11.277 10.713 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -11.164 15.158 11.318 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -11.083 11.222 12.882 1.00 2.88 H new ATOM 468 N SER A 31 -10.044 14.636 5.863 1.00 1.07 N ATOM 469 CA SER A 31 -9.444 15.396 4.777 1.00 1.19 C ATOM 470 C SER A 31 -10.460 16.361 4.163 1.00 1.32 C ATOM 471 O SER A 31 -10.350 16.725 2.992 1.00 1.76 O ATOM 472 CB SER A 31 -8.883 14.449 3.711 1.00 1.15 C ATOM 473 OG SER A 31 -7.837 13.654 4.238 1.00 1.50 O ATOM 0 H SER A 31 -10.655 13.877 5.561 1.00 1.07 H new ATOM 0 HA SER A 31 -8.622 15.986 5.183 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.679 13.806 3.335 1.00 1.15 H new ATOM 0 HB3 SER A 31 -8.514 15.027 2.864 1.00 1.15 H new ATOM 0 HG SER A 31 -8.145 13.208 5.055 1.00 1.50 H new ATOM 706 N TYR A 48 -17.808 6.548 3.680 1.00 1.05 N ATOM 707 CA TYR A 48 -17.962 7.903 3.159 1.00 1.04 C ATOM 708 C TYR A 48 -17.794 7.945 1.654 1.00 0.91 C ATOM 709 O TYR A 48 -17.357 6.976 1.025 1.00 0.86 O ATOM 710 CB TYR A 48 -16.904 8.813 3.803 1.00 1.16 C ATOM 711 CG TYR A 48 -15.487 8.327 3.586 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.139 7.024 3.896 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.511 9.155 3.062 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.877 6.550 3.695 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.227 8.688 2.855 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.915 7.383 3.173 1.00 1.96 C ATOM 717 OH TYR A 48 -11.640 6.912 2.971 1.00 2.54 O ATOM 0 HA TYR A 48 -18.968 8.246 3.401 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.003 9.819 3.395 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.097 8.883 4.873 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.888 6.364 4.309 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.755 10.177 2.812 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.634 5.528 3.944 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.471 9.342 2.446 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.574 6.520 2.075 1.00 2.54 H new ATOM 727 N GLN A 49 -18.148 9.085 1.095 1.00 1.01 N ATOM 728 CA GLN A 49 -17.862 9.399 -0.286 1.00 1.00 C ATOM 729 C GLN A 49 -17.124 10.723 -0.316 1.00 1.11 C ATOM 730 O GLN A 49 -17.354 11.577 0.544 1.00 1.34 O ATOM 731 CB GLN A 49 -19.152 9.492 -1.106 1.00 1.16 C ATOM 732 CG GLN A 49 -20.018 8.246 -1.025 1.00 1.18 C ATOM 733 CD GLN A 49 -21.090 8.208 -2.096 1.00 1.42 C ATOM 734 OE1 GLN A 49 -20.867 7.678 -3.183 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.258 8.759 -1.805 1.00 1.96 N ATOM 0 H GLN A 49 -18.646 9.823 1.592 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.253 8.610 -0.727 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.731 10.349 -0.761 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.896 9.679 -2.149 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.386 7.363 -1.118 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.489 8.199 -0.043 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -22.406 9.189 -0.892 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.010 8.753 -2.494 1.00 1.96 H new ATOM 744 N VAL A 50 -16.223 10.884 -1.264 1.00 1.04 N ATOM 745 CA VAL A 50 -15.481 12.126 -1.403 1.00 1.18 C ATOM 746 C VAL A 50 -16.327 13.130 -2.184 1.00 1.28 C ATOM 747 O VAL A 50 -17.422 12.789 -2.634 1.00 1.38 O ATOM 748 CB VAL A 50 -14.104 11.875 -2.079 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.260 13.139 -2.209 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.343 10.848 -1.283 1.00 1.59 C ATOM 0 H VAL A 50 -15.985 10.170 -1.952 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.274 12.542 -0.417 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.303 11.520 -3.090 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.312 12.896 -2.689 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.794 13.873 -2.813 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -13.070 13.553 -1.219 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.376 10.667 -1.752 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.191 11.214 -0.268 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.911 9.918 -1.252 1.00 1.59 H new ATOM 860 N ILE A 57 -15.284 9.800 -5.298 1.00 1.14 N ATOM 861 CA ILE A 57 -14.820 8.468 -4.963 1.00 0.88 C ATOM 862 C ILE A 57 -15.580 7.925 -3.759 1.00 0.85 C ATOM 863 O ILE A 57 -15.635 8.565 -2.709 1.00 0.97 O ATOM 864 CB ILE A 57 -13.315 8.460 -4.634 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.538 9.302 -5.644 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.795 7.029 -4.622 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.100 9.528 -5.246 1.00 0.86 C ATOM 0 HA ILE A 57 -14.998 7.839 -5.835 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.171 8.897 -3.646 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.566 8.810 -6.616 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.032 10.267 -5.760 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.730 7.031 -4.389 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.331 6.453 -3.867 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.951 6.577 -5.601 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.603 10.133 -6.005 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.065 10.047 -4.288 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.592 8.568 -5.157 1.00 0.86 H new ATOM 879 N THR A 58 -16.174 6.757 -3.914 1.00 0.80 N ATOM 880 CA THR A 58 -16.848 6.106 -2.808 1.00 0.80 C ATOM 881 C THR A 58 -15.912 5.114 -2.136 1.00 0.73 C ATOM 882 O THR A 58 -15.449 4.174 -2.779 1.00 0.85 O ATOM 883 CB THR A 58 -18.119 5.383 -3.281 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.861 6.231 -4.171 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.990 5.005 -2.098 1.00 1.28 C ATOM 0 H THR A 58 -16.203 6.241 -4.793 1.00 0.80 H new ATOM 0 HA THR A 58 -17.137 6.874 -2.091 1.00 0.80 H new ATOM 0 HB THR A 58 -17.823 4.474 -3.805 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.418 6.846 -3.649 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.885 4.494 -2.454 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.434 4.343 -1.434 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.278 5.906 -1.555 1.00 1.28 H new ATOM 893 N PHE A 59 -15.637 5.313 -0.848 1.00 0.65 N ATOM 894 CA PHE A 59 -14.669 4.477 -0.158 1.00 0.64 C ATOM 895 C PHE A 59 -15.377 3.491 0.748 1.00 0.73 C ATOM 896 O PHE A 59 -15.983 3.875 1.752 1.00 0.83 O ATOM 897 CB PHE A 59 -13.690 5.316 0.661 1.00 0.64 C ATOM 898 CG PHE A 59 -12.603 5.984 -0.139 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.824 7.216 -0.736 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.371 5.375 -0.311 1.00 0.75 C ATOM 901 CE1 PHE A 59 -11.837 7.829 -1.481 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.382 5.984 -1.060 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.576 7.223 -1.584 1.00 0.70 C ATOM 0 H PHE A 59 -16.067 6.037 -0.272 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.104 3.933 -0.915 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.251 6.083 1.196 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.227 4.677 1.413 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -13.781 7.702 -0.616 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.181 4.414 0.145 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.034 8.766 -1.980 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.447 5.471 -1.230 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.764 7.738 -2.077 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.663 0.058 -8.288 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.345 0.583 -7.951 1.00 0.55 C ATOM 1223 C ILE A 81 -9.808 -0.116 -6.715 1.00 0.47 C ATOM 1224 O ILE A 81 -10.404 -0.027 -5.642 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.390 2.110 -7.703 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.789 2.839 -8.986 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.048 2.620 -7.198 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.827 2.602 -10.131 1.00 0.73 C ATOM 0 HA ILE A 81 -9.685 0.394 -8.798 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.137 2.311 -6.935 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.786 2.515 -9.285 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.848 3.909 -8.785 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.107 3.696 -7.032 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.798 2.121 -6.262 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.277 2.409 -7.939 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -10.168 3.147 -11.011 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.834 2.951 -9.850 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.786 1.537 -10.357 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.694 -0.820 -6.856 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.131 -1.549 -5.748 1.00 0.30 C ATOM 1242 C VAL A 82 -7.105 -0.711 -5.006 1.00 0.25 C ATOM 1243 O VAL A 82 -5.970 -0.565 -5.454 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.457 -2.837 -6.222 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.974 -3.627 -5.032 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.407 -3.664 -7.074 1.00 1.19 C ATOM 0 H VAL A 82 -8.169 -0.897 -7.727 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.955 -1.794 -5.078 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.599 -2.578 -6.842 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.494 -4.544 -5.374 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.257 -3.032 -4.467 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.821 -3.877 -4.393 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.905 -4.575 -7.399 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.288 -3.925 -6.488 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.710 -3.086 -7.947 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.503 -0.160 -3.879 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.575 0.568 -3.039 1.00 0.25 C ATOM 1258 C ILE A 83 -5.860 -0.414 -2.142 1.00 0.27 C ATOM 1259 O ILE A 83 -6.431 -0.925 -1.189 1.00 0.45 O ATOM 1260 CB ILE A 83 -7.287 1.611 -2.159 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.247 2.451 -2.995 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.267 2.497 -1.452 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -7.564 3.445 -3.911 1.00 1.32 C ATOM 0 H ILE A 83 -8.458 -0.202 -3.524 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.876 1.095 -3.689 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.867 1.086 -1.400 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.866 1.785 -3.596 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.917 2.991 -2.326 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.787 3.229 -0.834 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.625 1.881 -0.822 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.659 3.015 -2.194 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -8.316 4.002 -4.470 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.968 4.137 -3.317 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.916 2.913 -4.607 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.622 -0.677 -2.457 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.859 -1.697 -1.751 1.00 0.27 C ATOM 1277 C LEU A 84 -2.931 -1.060 -0.710 1.00 0.27 C ATOM 1278 O LEU A 84 -1.900 -0.496 -1.056 1.00 0.31 O ATOM 1279 CB LEU A 84 -3.070 -2.521 -2.778 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.439 -3.820 -2.265 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -1.153 -3.534 -1.513 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.423 -4.566 -1.381 1.00 1.33 C ATOM 0 H LEU A 84 -4.108 -0.203 -3.200 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.537 -2.357 -1.210 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.737 -2.767 -3.604 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.277 -1.893 -3.185 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.195 -4.448 -3.122 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.723 -4.471 -1.158 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.445 -3.039 -2.178 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -1.365 -2.887 -0.662 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.964 -5.487 -1.022 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.694 -3.941 -0.530 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -4.318 -4.806 -1.955 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.286 -1.155 0.565 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.481 -0.533 1.610 1.00 0.28 C ATOM 1296 C VAL A 85 -1.306 -1.430 2.028 1.00 0.27 C ATOM 1297 O VAL A 85 -1.413 -2.658 2.050 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.333 -0.169 2.855 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.566 -1.372 3.755 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.694 0.967 3.637 1.00 1.20 C ATOM 0 H VAL A 85 -4.114 -1.649 0.898 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.082 0.388 1.185 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.306 0.163 2.492 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.166 -1.073 4.614 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.091 -2.147 3.197 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.607 -1.760 4.100 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.310 1.203 4.505 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.700 0.666 3.969 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.613 1.847 2.999 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.184 -0.787 2.330 1.00 0.25 N ATOM 1311 CA VAL A 86 1.001 -1.457 2.857 1.00 0.27 C ATOM 1312 C VAL A 86 1.623 -0.564 3.922 1.00 0.24 C ATOM 1313 O VAL A 86 0.996 0.398 4.361 1.00 0.26 O ATOM 1314 CB VAL A 86 2.063 -1.746 1.768 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.549 -2.744 0.746 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.504 -0.466 1.085 1.00 0.95 C ATOM 0 H VAL A 86 -0.069 0.220 2.216 1.00 0.25 H new ATOM 0 HA VAL A 86 0.685 -2.417 3.265 1.00 0.27 H new ATOM 0 HB VAL A 86 2.928 -2.186 2.264 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.318 -2.925 -0.005 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.301 -3.681 1.245 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.658 -2.344 0.263 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.250 -0.698 0.325 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.644 0.011 0.616 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.936 0.210 1.823 1.00 0.95 H new ATOM 1326 N ALA A 87 2.844 -0.858 4.333 1.00 0.28 N ATOM 1327 CA ALA A 87 3.507 -0.025 5.323 1.00 0.32 C ATOM 1328 C ALA A 87 4.990 0.140 5.024 1.00 0.46 C ATOM 1329 O ALA A 87 5.632 -0.788 4.533 1.00 0.75 O ATOM 1330 CB ALA A 87 3.295 -0.586 6.718 1.00 0.42 C ATOM 0 H ALA A 87 3.390 -1.654 4.004 1.00 0.28 H new ATOM 0 HA ALA A 87 3.057 0.966 5.274 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.798 0.050 7.446 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.228 -0.617 6.939 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.706 -1.594 6.771 1.00 0.42 H new ATOM 1336 N ALA A 88 5.498 1.338 5.318 1.00 0.37 N ATOM 1337 CA ALA A 88 6.889 1.735 5.049 1.00 0.59 C ATOM 1338 C ALA A 88 7.890 0.605 5.281 1.00 0.53 C ATOM 1339 O ALA A 88 8.670 0.265 4.392 1.00 1.14 O ATOM 1340 CB ALA A 88 7.253 2.924 5.924 1.00 1.18 C ATOM 0 H ALA A 88 4.948 2.076 5.758 1.00 0.37 H new ATOM 0 HA ALA A 88 6.948 1.999 3.993 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.283 3.220 5.726 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.587 3.758 5.701 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.150 2.648 6.974 1.00 1.18 H new ATOM 1346 N ASP A 89 7.858 0.033 6.475 1.00 0.56 N ATOM 1347 CA ASP A 89 8.859 -0.947 6.881 1.00 0.93 C ATOM 1348 C ASP A 89 8.384 -2.386 6.691 1.00 0.85 C ATOM 1349 O ASP A 89 9.175 -3.250 6.309 1.00 1.24 O ATOM 1350 CB ASP A 89 9.272 -0.712 8.338 1.00 1.44 C ATOM 1351 CG ASP A 89 8.115 -0.270 9.210 1.00 1.68 C ATOM 1352 OD1 ASP A 89 7.249 -1.115 9.520 1.00 2.01 O ATOM 1353 OD2 ASP A 89 8.072 0.911 9.601 1.00 1.90 O ATOM 0 H ASP A 89 7.150 0.230 7.182 1.00 0.56 H new ATOM 0 HA ASP A 89 9.723 -0.808 6.231 1.00 0.93 H new ATOM 0 HB2 ASP A 89 9.697 -1.630 8.743 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.056 0.044 8.371 1.00 1.44 H new ATOM 1358 N ASP A 90 7.108 -2.652 6.952 1.00 0.48 N ATOM 1359 CA ASP A 90 6.598 -4.021 6.860 1.00 0.46 C ATOM 1360 C ASP A 90 6.573 -4.506 5.422 1.00 0.45 C ATOM 1361 O ASP A 90 6.997 -5.624 5.124 1.00 0.69 O ATOM 1362 CB ASP A 90 5.189 -4.151 7.441 1.00 0.52 C ATOM 1363 CG ASP A 90 4.806 -5.598 7.659 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.126 -6.153 8.733 1.00 0.93 O ATOM 1365 OD2 ASP A 90 4.185 -6.187 6.757 1.00 1.09 O ATOM 0 H ASP A 90 6.416 -1.953 7.224 1.00 0.48 H new ATOM 0 HA ASP A 90 7.281 -4.636 7.445 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.135 -3.613 8.388 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.472 -3.682 6.767 1.00 0.52 H new ATOM 1370 N GLY A 91 6.091 -3.655 4.532 1.00 0.36 N ATOM 1371 CA GLY A 91 5.917 -4.055 3.156 1.00 0.36 C ATOM 1372 C GLY A 91 4.597 -4.753 2.946 1.00 0.35 C ATOM 1373 O GLY A 91 3.535 -4.177 3.192 1.00 0.52 O ATOM 0 H GLY A 91 5.817 -2.694 4.739 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.973 -3.178 2.511 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.731 -4.718 2.863 1.00 0.36 H new ATOM 1377 N VAL A 92 4.667 -5.991 2.502 1.00 0.38 N ATOM 1378 CA VAL A 92 3.495 -6.781 2.214 1.00 0.37 C ATOM 1379 C VAL A 92 3.374 -7.971 3.165 1.00 0.36 C ATOM 1380 O VAL A 92 4.237 -8.852 3.187 1.00 0.47 O ATOM 1381 CB VAL A 92 3.573 -7.286 0.763 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.596 -8.412 0.527 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.318 -6.150 -0.209 1.00 1.06 C ATOM 0 H VAL A 92 5.547 -6.478 2.331 1.00 0.38 H new ATOM 0 HA VAL A 92 2.615 -6.153 2.350 1.00 0.37 H new ATOM 0 HB VAL A 92 4.579 -7.671 0.593 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.673 -8.750 -0.507 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.826 -9.240 1.197 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.582 -8.061 0.720 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.377 -6.525 -1.231 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.326 -5.735 -0.032 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.068 -5.372 -0.064 1.00 1.06 H new ATOM 1393 N MET A 93 2.315 -7.975 3.965 1.00 0.29 N ATOM 1394 CA MET A 93 1.953 -9.146 4.751 1.00 0.31 C ATOM 1395 C MET A 93 1.168 -10.116 3.878 1.00 0.31 C ATOM 1396 O MET A 93 0.738 -9.742 2.789 1.00 0.31 O ATOM 1397 CB MET A 93 1.123 -8.748 5.966 1.00 0.36 C ATOM 1398 CG MET A 93 1.953 -8.219 7.117 1.00 0.67 C ATOM 1399 SD MET A 93 1.014 -8.133 8.648 1.00 1.32 S ATOM 1400 CE MET A 93 0.464 -9.832 8.769 1.00 0.65 C ATOM 0 H MET A 93 1.691 -7.178 4.086 1.00 0.29 H new ATOM 0 HA MET A 93 2.864 -9.627 5.106 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.401 -7.987 5.669 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.554 -9.613 6.306 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.822 -8.861 7.261 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.328 -7.227 6.866 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.132 -10.035 9.787 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.362 -9.997 8.078 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.287 -10.500 8.516 1.00 0.65 H new ATOM 1410 N PRO A 94 0.976 -11.371 4.323 1.00 0.38 N ATOM 1411 CA PRO A 94 0.200 -12.364 3.572 1.00 0.42 C ATOM 1412 C PRO A 94 -1.102 -11.803 3.005 1.00 0.39 C ATOM 1413 O PRO A 94 -1.380 -11.941 1.813 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.085 -13.434 4.618 1.00 0.52 C ATOM 1415 CG PRO A 94 1.092 -13.384 5.528 1.00 0.61 C ATOM 1416 CD PRO A 94 1.527 -11.942 5.570 1.00 0.46 C ATOM 0 HA PRO A 94 0.740 -12.726 2.697 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.011 -13.229 5.155 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.193 -14.418 4.161 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.830 -13.741 6.524 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.895 -14.023 5.161 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.136 -11.432 6.450 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.613 -11.853 5.605 1.00 0.46 H new ATOM 1424 N GLN A 95 -1.882 -11.149 3.859 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.163 -10.588 3.458 1.00 0.43 C ATOM 1426 C GLN A 95 -3.010 -9.441 2.463 1.00 0.36 C ATOM 1427 O GLN A 95 -3.931 -9.156 1.696 1.00 0.39 O ATOM 1428 CB GLN A 95 -3.951 -10.124 4.678 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.306 -11.260 5.614 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.768 -11.248 6.007 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.152 -10.652 7.012 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.602 -11.908 5.216 1.00 1.47 N ATOM 0 H GLN A 95 -1.646 -10.995 4.839 1.00 0.40 H new ATOM 0 HA GLN A 95 -3.713 -11.383 2.955 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.367 -9.381 5.221 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -4.866 -9.632 4.348 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.069 -12.210 5.135 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.691 -11.194 6.511 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.247 -12.391 4.391 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.598 -11.933 5.433 1.00 1.47 H new ATOM 1441 N THR A 96 -1.851 -8.791 2.461 1.00 0.33 N ATOM 1442 CA THR A 96 -1.594 -7.713 1.524 1.00 0.31 C ATOM 1443 C THR A 96 -1.615 -8.235 0.081 1.00 0.29 C ATOM 1444 O THR A 96 -2.142 -7.579 -0.815 1.00 0.34 O ATOM 1445 CB THR A 96 -0.261 -7.017 1.837 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.227 -6.662 3.224 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.092 -5.769 0.992 1.00 0.46 C ATOM 0 H THR A 96 -1.080 -8.994 3.097 1.00 0.33 H new ATOM 0 HA THR A 96 -2.388 -6.974 1.631 1.00 0.31 H new ATOM 0 HB THR A 96 0.553 -7.704 1.606 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.939 -6.016 3.414 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.859 -5.293 1.231 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.107 -6.040 -0.064 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.907 -5.076 1.200 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.084 -9.439 -0.140 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.166 -10.055 -1.456 1.00 0.39 C ATOM 1457 C VAL A 97 -2.465 -10.843 -1.613 1.00 0.34 C ATOM 1458 O VAL A 97 -2.987 -10.954 -2.716 1.00 0.37 O ATOM 1459 CB VAL A 97 0.063 -10.923 -1.798 1.00 0.60 C ATOM 1460 CG1 VAL A 97 0.744 -11.367 -0.547 1.00 1.00 C ATOM 1461 CG2 VAL A 97 -0.304 -12.124 -2.654 1.00 1.05 C ATOM 0 H VAL A 97 -0.601 -9.995 0.565 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.169 -9.239 -2.178 1.00 0.39 H new ATOM 0 HB VAL A 97 0.746 -10.306 -2.382 1.00 0.60 H new ATOM 0 HG11 VAL A 97 1.610 -11.979 -0.801 1.00 1.00 H new ATOM 0 HG12 VAL A 97 1.070 -10.494 0.019 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.051 -11.953 0.057 1.00 1.00 H new ATOM 0 HG21 VAL A 97 0.593 -12.705 -2.869 1.00 1.05 H new ATOM 0 HG22 VAL A 97 -1.020 -12.747 -2.119 1.00 1.05 H new ATOM 0 HG23 VAL A 97 -0.748 -11.782 -3.589 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.000 -11.371 -0.511 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.307 -12.031 -0.540 1.00 0.40 C ATOM 1473 C GLU A 98 -5.345 -11.131 -1.196 1.00 0.34 C ATOM 1474 O GLU A 98 -6.114 -11.565 -2.053 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.755 -12.373 0.877 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.968 -13.499 1.512 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.291 -14.842 0.902 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.310 -15.448 1.294 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -3.527 -15.297 0.029 1.00 1.55 O ATOM 0 H GLU A 98 -2.553 -11.355 0.406 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.214 -12.948 -1.121 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -4.666 -11.483 1.501 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.810 -12.645 0.859 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -2.902 -13.300 1.403 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -4.179 -13.528 2.581 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.336 -9.870 -0.799 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.262 -8.889 -1.334 1.00 0.27 C ATOM 1488 C ALA A 99 -5.961 -8.597 -2.800 1.00 0.25 C ATOM 1489 O ALA A 99 -6.866 -8.367 -3.594 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.186 -7.614 -0.514 1.00 0.31 C ATOM 0 H ALA A 99 -4.691 -9.500 -0.101 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.272 -9.294 -1.274 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.882 -6.879 -0.918 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.448 -7.831 0.521 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.173 -7.215 -0.556 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.683 -8.638 -3.148 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.227 -8.310 -4.493 1.00 0.24 C ATOM 1498 C ILE A 100 -4.466 -9.473 -5.459 1.00 0.28 C ATOM 1499 O ILE A 100 -4.958 -9.270 -6.555 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.737 -7.899 -4.450 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.573 -6.447 -4.910 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.843 -8.829 -5.262 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.152 -5.916 -4.834 1.00 0.38 C ATOM 0 H ILE A 100 -3.933 -8.899 -2.508 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.807 -7.467 -4.868 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.412 -7.986 -3.413 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.923 -6.364 -5.939 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.217 -5.812 -4.302 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.809 -8.491 -5.194 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.920 -9.843 -4.868 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.160 -8.820 -6.305 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.131 -4.882 -5.179 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.801 -5.962 -3.803 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.503 -6.522 -5.466 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.117 -10.687 -5.042 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.423 -11.890 -5.790 1.00 0.38 C ATOM 1517 C ASN A 101 -5.920 -11.984 -6.036 1.00 0.37 C ATOM 1518 O ASN A 101 -6.372 -12.433 -7.089 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.956 -13.100 -4.989 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.553 -14.250 -5.869 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.358 -15.119 -6.199 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.294 -14.260 -6.253 1.00 1.55 N ATOM 0 H ASN A 101 -3.613 -10.858 -4.172 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.912 -11.862 -6.752 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.112 -12.813 -4.362 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.755 -13.420 -4.321 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.949 -15.011 -6.850 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.663 -13.516 -5.953 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.676 -11.536 -5.046 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.127 -11.529 -5.114 1.00 0.38 C ATOM 1531 C HIS A 102 -8.609 -10.393 -6.005 1.00 0.38 C ATOM 1532 O HIS A 102 -9.658 -10.497 -6.642 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.699 -11.374 -3.703 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.155 -11.700 -3.579 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.610 -12.843 -2.965 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.256 -11.012 -3.958 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.926 -12.849 -2.969 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.349 -11.749 -3.564 1.00 0.77 N ATOM 0 H HIS A 102 -6.300 -11.167 -4.173 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.472 -12.470 -5.542 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.138 -12.017 -3.025 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.541 -10.347 -3.372 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.274 -10.063 -4.473 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.554 -13.624 -2.555 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.325 -11.489 -3.708 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.841 -9.313 -6.056 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.267 -8.131 -6.781 1.00 0.38 C ATOM 1549 C ALA A 103 -7.818 -8.154 -8.239 1.00 0.40 C ATOM 1550 O ALA A 103 -8.610 -7.897 -9.142 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.744 -6.883 -6.099 1.00 0.43 C ATOM 0 H ALA A 103 -6.928 -9.234 -5.607 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.357 -8.124 -6.774 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.070 -6.002 -6.652 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.130 -6.836 -5.081 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.655 -6.912 -6.073 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.554 -8.502 -8.457 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.912 -8.384 -9.758 1.00 0.51 C ATOM 1559 C LYS A 104 -6.669 -9.131 -10.860 1.00 0.50 C ATOM 1560 O LYS A 104 -6.604 -8.758 -12.031 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.493 -8.936 -9.649 1.00 0.64 C ATOM 1562 CG LYS A 104 -4.445 -10.449 -9.510 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.057 -10.922 -9.151 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.056 -10.588 -10.244 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.723 -11.197 -9.998 1.00 2.56 N ATOM 0 H LYS A 104 -5.944 -8.876 -7.730 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.905 -7.330 -10.036 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.927 -8.641 -10.533 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -4.000 -8.483 -8.789 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -5.150 -10.769 -8.743 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.759 -10.913 -10.445 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.744 -10.459 -8.215 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -3.070 -11.999 -8.985 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.440 -10.936 -11.203 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.950 -9.506 -10.317 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -0.331 -11.548 -10.895 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.083 -10.482 -9.597 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.821 -11.988 -9.330 1.00 2.56 H new ATOM 1579 N ALA A 105 -7.405 -10.166 -10.480 1.00 0.51 N ATOM 1580 CA ALA A 105 -8.010 -11.056 -11.455 1.00 0.61 C ATOM 1581 C ALA A 105 -9.321 -10.513 -12.007 1.00 0.66 C ATOM 1582 O ALA A 105 -10.007 -11.197 -12.765 1.00 0.76 O ATOM 1583 CB ALA A 105 -8.210 -12.442 -10.856 1.00 0.72 C ATOM 0 H ALA A 105 -7.596 -10.408 -9.508 1.00 0.51 H new ATOM 0 HA ALA A 105 -7.320 -11.127 -12.296 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -8.664 -13.097 -11.599 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -7.246 -12.850 -10.553 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.863 -12.372 -9.986 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.659 -9.281 -11.658 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.825 -8.646 -12.238 1.00 0.70 C ATOM 1591 C ALA A 106 -10.385 -7.796 -13.414 1.00 0.72 C ATOM 1592 O ALA A 106 -11.209 -7.219 -14.125 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.564 -7.814 -11.202 1.00 0.75 C ATOM 0 H ALA A 106 -9.148 -8.710 -10.985 1.00 0.62 H new ATOM 0 HA ALA A 106 -11.520 -9.410 -12.587 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.435 -7.348 -11.663 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.887 -8.456 -10.383 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.900 -7.040 -10.816 1.00 0.75 H new ATOM 1599 N ASN A 107 -9.056 -7.746 -13.595 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.417 -7.018 -14.687 1.00 0.73 C ATOM 1601 C ASN A 107 -8.410 -5.549 -14.331 1.00 0.67 C ATOM 1602 O ASN A 107 -8.769 -4.674 -15.117 1.00 0.80 O ATOM 1603 CB ASN A 107 -9.104 -7.298 -16.015 1.00 0.92 C ATOM 1604 CG ASN A 107 -8.294 -6.860 -17.227 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.445 -7.604 -17.725 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.569 -5.665 -17.725 1.00 2.06 N ATOM 0 H ASN A 107 -8.394 -8.217 -12.978 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.388 -7.354 -14.816 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.306 -8.366 -16.091 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -10.068 -6.789 -16.030 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -8.072 -5.329 -18.550 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.278 -5.080 -17.284 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.988 -5.309 -13.102 1.00 0.55 N ATOM 1614 CA VAL A 108 -8.067 -4.004 -12.490 1.00 0.49 C ATOM 1615 C VAL A 108 -6.728 -3.602 -11.873 1.00 0.40 C ATOM 1616 O VAL A 108 -6.010 -4.442 -11.325 1.00 0.42 O ATOM 1617 CB VAL A 108 -9.156 -4.010 -11.398 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.227 -5.359 -10.708 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.875 -2.942 -10.380 1.00 1.08 C ATOM 0 H VAL A 108 -7.578 -6.023 -12.500 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.320 -3.279 -13.264 1.00 0.49 H new ATOM 0 HB VAL A 108 -10.114 -3.813 -11.879 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.003 -5.336 -9.943 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.463 -6.131 -11.441 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.266 -5.581 -10.244 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.651 -2.956 -9.614 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.905 -3.126 -9.918 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.865 -1.968 -10.868 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.377 -2.308 -11.976 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.177 -1.749 -11.353 1.00 0.35 C ATOM 1631 C PRO A 109 -5.234 -1.671 -9.826 1.00 0.30 C ATOM 1632 O PRO A 109 -6.310 -1.647 -9.208 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.091 -0.333 -11.919 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.021 -0.305 -13.077 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.097 -1.297 -12.759 1.00 0.48 C ATOM 0 HA PRO A 109 -4.320 -2.387 -11.569 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.376 0.406 -11.170 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.073 -0.096 -12.229 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.438 0.692 -13.220 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.505 -0.570 -14.000 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.909 -0.846 -12.189 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.538 -1.721 -13.661 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.049 -1.567 -9.237 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.886 -1.569 -7.785 1.00 0.25 C ATOM 1645 C ILE A 110 -3.130 -0.316 -7.326 1.00 0.23 C ATOM 1646 O ILE A 110 -2.250 0.180 -8.034 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.145 -2.855 -7.305 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.134 -3.986 -6.996 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.270 -2.591 -6.088 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.765 -4.623 -8.213 1.00 0.96 C ATOM 0 H ILE A 110 -3.172 -1.479 -9.751 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.879 -1.562 -7.336 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.499 -3.164 -8.127 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.616 -4.758 -6.426 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.925 -3.594 -6.356 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.774 -3.514 -5.789 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.520 -1.840 -6.335 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.889 -2.230 -5.267 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.449 -5.411 -7.898 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.315 -3.868 -8.775 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.986 -5.050 -8.845 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.477 0.196 -6.146 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.834 1.400 -5.615 1.00 0.25 C ATOM 1664 C ILE A 111 -2.245 1.141 -4.263 1.00 0.32 C ATOM 1665 O ILE A 111 -2.958 1.027 -3.282 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.801 2.591 -5.467 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.375 3.007 -6.807 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.115 3.755 -4.778 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.668 2.305 -7.104 1.00 0.53 C ATOM 0 H ILE A 111 -4.196 -0.201 -5.541 1.00 0.23 H new ATOM 0 HA ILE A 111 -2.064 1.654 -6.343 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.635 2.271 -4.842 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.537 4.085 -6.814 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.654 2.788 -7.595 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.815 4.585 -4.683 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.782 3.446 -3.787 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.255 4.071 -5.368 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.045 2.632 -8.073 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.501 1.228 -7.124 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.398 2.545 -6.331 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.945 1.098 -4.207 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.268 0.874 -2.966 1.00 0.20 C ATOM 1683 C VAL A 112 -0.322 2.112 -2.106 1.00 0.20 C ATOM 1684 O VAL A 112 -0.101 3.226 -2.579 1.00 0.23 O ATOM 1685 CB VAL A 112 1.195 0.517 -3.178 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.602 -0.566 -2.230 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.446 0.078 -4.602 1.00 0.22 C ATOM 0 H VAL A 112 -0.331 1.216 -5.013 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.776 0.042 -2.477 1.00 0.20 H new ATOM 0 HB VAL A 112 1.793 1.408 -2.985 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.651 -0.814 -2.390 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.462 -0.223 -1.205 1.00 0.20 H new ATOM 0 HG13 VAL A 112 0.989 -1.451 -2.404 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.500 -0.171 -4.726 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.837 -0.798 -4.825 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.182 0.886 -5.284 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.602 1.907 -0.847 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.577 2.969 0.116 1.00 0.21 C ATOM 1699 C ALA A 113 0.411 2.599 1.192 1.00 0.21 C ATOM 1700 O ALA A 113 0.072 1.964 2.185 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.959 3.205 0.698 1.00 0.25 C ATOM 0 H ALA A 113 -0.854 0.997 -0.462 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.272 3.900 -0.361 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.914 4.015 1.426 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.649 3.473 -0.102 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.307 2.296 1.188 1.00 0.25 H new ATOM 1707 N ILE A 114 1.643 2.975 0.946 1.00 0.21 N ATOM 1708 CA ILE A 114 2.729 2.766 1.883 1.00 0.24 C ATOM 1709 C ILE A 114 2.547 3.640 3.127 1.00 0.25 C ATOM 1710 O ILE A 114 2.966 4.794 3.141 1.00 0.30 O ATOM 1711 CB ILE A 114 4.074 3.103 1.209 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.194 2.390 -0.144 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.216 2.711 2.113 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.469 2.720 -0.896 1.00 0.85 C ATOM 0 H ILE A 114 1.926 3.439 0.083 1.00 0.21 H new ATOM 0 HA ILE A 114 2.724 1.719 2.187 1.00 0.24 H new ATOM 0 HB ILE A 114 4.116 4.178 1.033 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.146 1.313 0.017 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.338 2.658 -0.763 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.162 2.952 1.629 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.140 3.257 3.053 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.172 1.640 2.311 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.483 2.179 -1.842 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.510 3.792 -1.090 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.331 2.426 -0.297 1.00 0.85 H new ATOM 1726 N ASN A 115 1.926 3.083 4.164 1.00 0.26 N ATOM 1727 CA ASN A 115 1.560 3.856 5.347 1.00 0.31 C ATOM 1728 C ASN A 115 2.681 3.793 6.377 1.00 0.37 C ATOM 1729 O ASN A 115 3.625 3.018 6.221 1.00 0.39 O ATOM 1730 CB ASN A 115 0.247 3.320 5.937 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.301 4.183 7.060 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.124 5.403 7.073 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.961 3.549 8.019 1.00 0.69 N ATOM 0 H ASN A 115 1.666 2.098 4.208 1.00 0.26 H new ATOM 0 HA ASN A 115 1.411 4.898 5.064 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.498 3.250 5.144 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.410 2.309 6.311 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.345 4.072 8.806 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.085 2.538 7.970 1.00 0.69 H new ATOM 1740 N LYS A 116 2.583 4.623 7.414 1.00 0.49 N ATOM 1741 CA LYS A 116 3.639 4.747 8.419 1.00 0.62 C ATOM 1742 C LYS A 116 4.932 5.217 7.764 1.00 0.57 C ATOM 1743 O LYS A 116 6.033 5.011 8.277 1.00 0.67 O ATOM 1744 CB LYS A 116 3.855 3.426 9.165 1.00 0.78 C ATOM 1745 CG LYS A 116 2.728 3.069 10.122 1.00 1.15 C ATOM 1746 CD LYS A 116 2.603 4.101 11.231 1.00 1.50 C ATOM 1747 CE LYS A 116 1.636 3.652 12.316 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.238 3.537 11.825 1.00 2.61 N ATOM 0 H LYS A 116 1.776 5.224 7.581 1.00 0.49 H new ATOM 0 HA LYS A 116 3.327 5.490 9.153 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.969 2.623 8.437 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.789 3.484 9.724 1.00 0.78 H new ATOM 0 HG2 LYS A 116 1.788 3.004 9.574 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.912 2.086 10.555 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.584 4.282 11.671 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.263 5.047 10.810 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.959 2.688 12.709 1.00 2.05 H new ATOM 0 HE3 LYS A 116 1.669 4.361 13.143 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 -0.379 3.228 12.603 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 -0.084 4.462 11.474 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.197 2.841 11.054 1.00 2.61 H new ATOM 1762 N MET A 117 4.771 5.850 6.612 1.00 0.58 N ATOM 1763 CA MET A 117 5.867 6.409 5.856 1.00 0.69 C ATOM 1764 C MET A 117 6.047 7.879 6.250 1.00 0.81 C ATOM 1765 O MET A 117 6.898 8.598 5.742 1.00 1.03 O ATOM 1766 CB MET A 117 5.547 6.221 4.370 1.00 0.85 C ATOM 1767 CG MET A 117 6.125 7.275 3.466 1.00 0.81 C ATOM 1768 SD MET A 117 7.913 7.112 3.226 1.00 1.37 S ATOM 1769 CE MET A 117 8.046 5.485 2.480 1.00 0.65 C ATOM 0 H MET A 117 3.860 5.989 6.175 1.00 0.58 H new ATOM 0 HA MET A 117 6.813 5.909 6.067 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.917 5.246 4.053 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.464 6.207 4.244 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.629 7.224 2.497 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.910 8.259 3.883 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.421 4.776 3.218 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.064 5.162 2.133 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.734 5.527 1.635 1.00 0.65 H new ATOM 1852 N ASN A 123 12.257 1.827 3.111 1.00 0.59 N ATOM 1853 CA ASN A 123 12.811 1.604 1.777 1.00 0.57 C ATOM 1854 C ASN A 123 11.695 1.244 0.807 1.00 0.46 C ATOM 1855 O ASN A 123 11.356 0.071 0.647 1.00 0.52 O ATOM 1856 CB ASN A 123 13.856 0.483 1.782 1.00 0.85 C ATOM 1857 CG ASN A 123 14.578 0.355 0.448 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.893 -0.747 0.002 1.00 1.77 O ATOM 1859 ND2 ASN A 123 14.867 1.481 -0.188 1.00 1.84 N ATOM 0 HA ASN A 123 13.298 2.527 1.462 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.585 0.674 2.570 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.369 -0.463 2.020 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.366 1.451 -1.077 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.590 2.378 0.211 1.00 1.84 H new ATOM 1866 N PRO A 124 11.079 2.270 0.182 1.00 0.41 N ATOM 1867 CA PRO A 124 10.070 2.110 -0.863 1.00 0.47 C ATOM 1868 C PRO A 124 10.369 0.972 -1.837 1.00 0.42 C ATOM 1869 O PRO A 124 9.601 0.032 -1.916 1.00 0.40 O ATOM 1870 CB PRO A 124 10.090 3.463 -1.598 1.00 0.66 C ATOM 1871 CG PRO A 124 11.097 4.310 -0.881 1.00 0.70 C ATOM 1872 CD PRO A 124 11.279 3.691 0.472 1.00 0.46 C ATOM 0 HA PRO A 124 9.103 1.849 -0.433 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.364 3.334 -2.645 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.105 3.930 -1.582 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.041 4.338 -1.426 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.748 5.339 -0.794 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.269 3.889 0.882 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.554 4.067 1.194 1.00 0.46 H new ATOM 1880 N ASP A 125 11.493 1.060 -2.549 1.00 0.45 N ATOM 1881 CA ASP A 125 11.872 0.072 -3.578 1.00 0.45 C ATOM 1882 C ASP A 125 11.767 -1.353 -3.070 1.00 0.38 C ATOM 1883 O ASP A 125 11.265 -2.220 -3.776 1.00 0.33 O ATOM 1884 CB ASP A 125 13.298 0.323 -4.042 1.00 0.56 C ATOM 1885 CG ASP A 125 13.470 1.682 -4.690 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.209 1.799 -5.902 1.00 1.28 O ATOM 1887 OD2 ASP A 125 13.863 2.636 -3.989 1.00 2.00 O ATOM 0 H ASP A 125 12.170 1.814 -2.434 1.00 0.45 H new ATOM 0 HA ASP A 125 11.174 0.192 -4.407 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.973 0.243 -3.190 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.587 -0.453 -4.751 1.00 0.56 H new ATOM 1892 N ARG A 126 12.243 -1.595 -1.855 1.00 0.40 N ATOM 1893 CA ARG A 126 12.125 -2.914 -1.244 1.00 0.40 C ATOM 1894 C ARG A 126 10.678 -3.360 -1.268 1.00 0.34 C ATOM 1895 O ARG A 126 10.343 -4.412 -1.807 1.00 0.32 O ATOM 1896 CB ARG A 126 12.631 -2.871 0.196 1.00 0.47 C ATOM 1897 CG ARG A 126 12.567 -4.205 0.925 1.00 0.58 C ATOM 1898 CD ARG A 126 11.252 -4.379 1.672 1.00 1.25 C ATOM 1899 NE ARG A 126 11.307 -5.469 2.646 1.00 1.38 N ATOM 1900 CZ ARG A 126 10.328 -5.750 3.504 1.00 2.08 C ATOM 1901 NH1 ARG A 126 9.170 -5.110 3.424 1.00 2.99 N ATOM 1902 NH2 ARG A 126 10.489 -6.700 4.415 1.00 2.15 N ATOM 0 H ARG A 126 12.712 -0.899 -1.275 1.00 0.40 H new ATOM 0 HA ARG A 126 12.729 -3.624 -1.809 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.663 -2.520 0.195 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.046 -2.138 0.752 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.688 -5.017 0.208 1.00 0.58 H new ATOM 0 HG3 ARG A 126 13.397 -4.275 1.629 1.00 0.58 H new ATOM 0 HD2 ARG A 126 11.002 -3.450 2.184 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.453 -4.574 0.956 1.00 1.25 H new ATOM 0 HE ARG A 126 12.146 -6.049 2.669 1.00 1.38 H new ATOM 0 HH11 ARG A 126 9.028 -4.401 2.705 1.00 2.99 H new ATOM 0 HH12 ARG A 126 8.421 -5.326 4.082 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.366 -7.219 4.461 1.00 2.15 H new ATOM 0 HH22 ARG A 126 9.736 -6.911 5.070 1.00 2.15 H new ATOM 1916 N VAL A 127 9.834 -2.519 -0.699 1.00 0.34 N ATOM 1917 CA VAL A 127 8.399 -2.783 -0.630 1.00 0.34 C ATOM 1918 C VAL A 127 7.819 -2.888 -2.035 1.00 0.31 C ATOM 1919 O VAL A 127 7.054 -3.795 -2.347 1.00 0.33 O ATOM 1920 CB VAL A 127 7.658 -1.669 0.142 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.172 -1.977 0.252 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.278 -1.479 1.516 1.00 0.40 C ATOM 0 H VAL A 127 10.117 -1.637 -0.272 1.00 0.34 H new ATOM 0 HA VAL A 127 8.261 -3.725 -0.099 1.00 0.34 H new ATOM 0 HB VAL A 127 7.762 -0.737 -0.414 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.674 -1.177 0.800 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.742 -2.055 -0.746 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.034 -2.920 0.781 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.746 -0.691 2.049 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.207 -2.410 2.079 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.326 -1.200 1.407 1.00 0.40 H new ATOM 1932 N MET A 128 8.237 -1.968 -2.888 1.00 0.28 N ATOM 1933 CA MET A 128 7.748 -1.884 -4.253 1.00 0.26 C ATOM 1934 C MET A 128 8.118 -3.130 -5.052 1.00 0.25 C ATOM 1935 O MET A 128 7.405 -3.519 -5.979 1.00 0.25 O ATOM 1936 CB MET A 128 8.302 -0.624 -4.935 1.00 0.25 C ATOM 1937 CG MET A 128 7.960 0.666 -4.205 1.00 0.27 C ATOM 1938 SD MET A 128 8.710 2.134 -4.938 1.00 0.30 S ATOM 1939 CE MET A 128 7.827 2.224 -6.489 1.00 0.29 C ATOM 0 H MET A 128 8.928 -1.256 -2.652 1.00 0.28 H new ATOM 0 HA MET A 128 6.660 -1.821 -4.221 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.386 -0.711 -5.013 1.00 0.25 H new ATOM 0 HB3 MET A 128 7.912 -0.570 -5.951 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.877 0.790 -4.192 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.284 0.583 -3.167 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.526 2.457 -7.293 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.348 1.266 -6.691 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.068 3.004 -6.431 1.00 0.29 H new ATOM 1949 N GLN A 129 9.220 -3.772 -4.678 1.00 0.25 N ATOM 1950 CA GLN A 129 9.669 -4.963 -5.380 1.00 0.26 C ATOM 1951 C GLN A 129 8.867 -6.172 -4.940 1.00 0.29 C ATOM 1952 O GLN A 129 8.759 -7.148 -5.676 1.00 0.31 O ATOM 1953 CB GLN A 129 11.163 -5.201 -5.157 1.00 0.29 C ATOM 1954 CG GLN A 129 12.049 -4.349 -6.048 1.00 0.31 C ATOM 1955 CD GLN A 129 13.515 -4.437 -5.678 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.018 -3.650 -4.878 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.215 -5.397 -6.260 1.00 1.28 N ATOM 0 H GLN A 129 9.813 -3.488 -3.898 1.00 0.25 H new ATOM 0 HA GLN A 129 9.508 -4.808 -6.447 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.404 -4.996 -4.114 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.386 -6.253 -5.335 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.922 -4.662 -7.084 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.726 -3.310 -5.987 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.762 -6.031 -6.919 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.207 -5.503 -6.050 1.00 1.28 H new ATOM 1966 N GLU A 130 8.294 -6.103 -3.743 1.00 0.33 N ATOM 1967 CA GLU A 130 7.442 -7.178 -3.260 1.00 0.38 C ATOM 1968 C GLU A 130 6.136 -7.161 -4.024 1.00 0.33 C ATOM 1969 O GLU A 130 5.566 -8.205 -4.317 1.00 0.36 O ATOM 1970 CB GLU A 130 7.153 -7.040 -1.771 1.00 0.48 C ATOM 1971 CG GLU A 130 8.311 -6.470 -0.993 1.00 0.71 C ATOM 1972 CD GLU A 130 8.075 -6.485 0.501 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.470 -5.532 1.022 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.493 -7.463 1.157 1.00 1.46 O ATOM 0 H GLU A 130 8.404 -5.321 -3.097 1.00 0.33 H new ATOM 0 HA GLU A 130 7.966 -8.121 -3.418 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.281 -6.400 -1.634 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.897 -8.018 -1.365 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.212 -7.040 -1.220 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.492 -5.445 -1.318 1.00 0.71 H new ATOM 1981 N LEU A 131 5.675 -5.969 -4.382 1.00 0.29 N ATOM 1982 CA LEU A 131 4.411 -5.850 -5.089 1.00 0.29 C ATOM 1983 C LEU A 131 4.569 -6.339 -6.502 1.00 0.24 C ATOM 1984 O LEU A 131 3.721 -7.052 -7.035 1.00 0.25 O ATOM 1985 CB LEU A 131 3.901 -4.416 -5.093 1.00 0.32 C ATOM 1986 CG LEU A 131 3.145 -4.006 -3.838 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.024 -4.981 -3.572 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.082 -3.955 -2.658 1.00 1.06 C ATOM 0 H LEU A 131 6.150 -5.085 -4.197 1.00 0.29 H new ATOM 0 HA LEU A 131 3.677 -6.464 -4.566 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.749 -3.744 -5.226 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.248 -4.280 -5.955 1.00 0.32 H new ATOM 0 HG LEU A 131 2.722 -3.013 -3.989 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.487 -4.681 -2.672 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.338 -4.987 -4.419 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.436 -5.980 -3.433 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.529 -3.660 -1.766 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.524 -4.939 -2.502 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.871 -3.229 -2.851 1.00 1.06 H new ATOM 2000 N MET A 132 5.687 -5.983 -7.093 1.00 0.21 N ATOM 2001 CA MET A 132 6.011 -6.448 -8.416 1.00 0.22 C ATOM 2002 C MET A 132 6.461 -7.903 -8.347 1.00 0.26 C ATOM 2003 O MET A 132 6.663 -8.555 -9.368 1.00 0.32 O ATOM 2004 CB MET A 132 7.078 -5.553 -9.038 1.00 0.23 C ATOM 2005 CG MET A 132 8.497 -5.837 -8.576 1.00 0.26 C ATOM 2006 SD MET A 132 9.351 -6.956 -9.692 1.00 0.35 S ATOM 2007 CE MET A 132 8.802 -6.276 -11.255 1.00 0.32 C ATOM 0 H MET A 132 6.387 -5.371 -6.674 1.00 0.21 H new ATOM 0 HA MET A 132 5.129 -6.397 -9.054 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.036 -5.661 -10.122 1.00 0.23 H new ATOM 0 HB3 MET A 132 6.838 -4.514 -8.811 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.051 -4.901 -8.506 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.474 -6.269 -7.576 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.510 -6.547 -12.038 1.00 0.32 H new ATOM 0 HE2 MET A 132 7.818 -6.677 -11.501 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.743 -5.190 -11.179 1.00 0.32 H new ATOM 2017 N GLU A 133 6.578 -8.416 -7.125 1.00 0.27 N ATOM 2018 CA GLU A 133 6.883 -9.814 -6.918 1.00 0.35 C ATOM 2019 C GLU A 133 5.590 -10.610 -6.991 1.00 0.34 C ATOM 2020 O GLU A 133 5.602 -11.814 -7.233 1.00 0.40 O ATOM 2021 CB GLU A 133 7.584 -10.027 -5.578 1.00 0.44 C ATOM 2022 CG GLU A 133 8.089 -11.441 -5.371 1.00 0.67 C ATOM 2023 CD GLU A 133 8.878 -11.589 -4.094 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.064 -11.204 -4.074 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.311 -12.087 -3.103 1.00 2.18 O ATOM 0 H GLU A 133 6.465 -7.877 -6.267 1.00 0.27 H new ATOM 0 HA GLU A 133 7.565 -10.158 -7.695 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.424 -9.336 -5.504 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.893 -9.776 -4.773 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.242 -12.127 -5.353 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.714 -11.728 -6.216 1.00 0.67 H new ATOM 2032 N TYR A 134 4.462 -9.931 -6.774 1.00 0.30 N ATOM 2033 CA TYR A 134 3.179 -10.519 -7.106 1.00 0.34 C ATOM 2034 C TYR A 134 2.790 -10.059 -8.509 1.00 0.36 C ATOM 2035 O TYR A 134 1.661 -10.246 -8.964 1.00 0.44 O ATOM 2036 CB TYR A 134 2.144 -10.152 -6.056 1.00 0.32 C ATOM 2037 CG TYR A 134 2.662 -10.373 -4.653 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.867 -11.654 -4.166 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.893 -9.303 -3.794 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.288 -11.865 -2.869 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.306 -9.507 -2.495 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.726 -10.775 -2.115 1.00 0.57 C ATOM 2043 OH TYR A 134 3.914 -10.987 -0.735 1.00 0.74 O ATOM 0 H TYR A 134 4.417 -8.992 -6.377 1.00 0.30 H new ATOM 0 HA TYR A 134 3.238 -11.607 -7.107 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.858 -9.107 -6.177 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.244 -10.748 -6.209 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.694 -12.502 -4.813 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.746 -8.295 -4.152 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.279 -12.858 -2.444 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.303 -8.694 -1.784 1.00 0.49 H new ATOM 0 HH TYR A 134 4.439 -10.250 -0.359 1.00 0.74 H new ATOM 2053 N ASN A 135 3.781 -9.440 -9.167 1.00 0.35 N ATOM 2054 CA ASN A 135 3.715 -9.002 -10.562 1.00 0.38 C ATOM 2055 C ASN A 135 2.787 -7.821 -10.727 1.00 0.42 C ATOM 2056 O ASN A 135 2.102 -7.676 -11.740 1.00 0.59 O ATOM 2057 CB ASN A 135 3.322 -10.141 -11.507 1.00 0.47 C ATOM 2058 CG ASN A 135 4.423 -11.173 -11.662 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.475 -12.160 -10.932 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.320 -10.945 -12.609 1.00 1.89 N ATOM 0 H ASN A 135 4.676 -9.226 -8.727 1.00 0.35 H new ATOM 0 HA ASN A 135 4.720 -8.684 -10.838 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.423 -10.628 -11.130 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.075 -9.728 -12.485 1.00 0.47 H new ATOM 0 HD21 ASN A 135 6.088 -11.601 -12.752 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.243 -10.114 -13.195 1.00 1.89 H new ATOM 2067 N LEU A 136 2.783 -6.969 -9.724 1.00 0.38 N ATOM 2068 CA LEU A 136 2.108 -5.707 -9.813 1.00 0.46 C ATOM 2069 C LEU A 136 3.148 -4.608 -9.813 1.00 0.39 C ATOM 2070 O LEU A 136 3.437 -3.986 -8.792 1.00 0.43 O ATOM 2071 CB LEU A 136 1.094 -5.529 -8.699 1.00 0.62 C ATOM 2072 CG LEU A 136 -0.081 -6.502 -8.746 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.185 -7.710 -7.871 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.362 -5.807 -8.333 1.00 1.44 C ATOM 0 H LEU A 136 3.247 -7.137 -8.831 1.00 0.38 H new ATOM 0 HA LEU A 136 1.538 -5.665 -10.741 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.603 -5.641 -7.742 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.707 -4.511 -8.737 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.197 -6.850 -9.772 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.666 -8.389 -7.920 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.080 -8.223 -8.222 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.332 -7.387 -6.840 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -2.189 -6.516 -8.372 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -1.258 -5.426 -7.317 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.562 -4.978 -9.012 1.00 1.44 H new ATOM 2086 N VAL A 137 3.751 -4.442 -10.974 1.00 0.33 N ATOM 2087 CA VAL A 137 4.836 -3.494 -11.168 1.00 0.27 C ATOM 2088 C VAL A 137 4.360 -2.078 -10.919 1.00 0.26 C ATOM 2089 O VAL A 137 3.331 -1.665 -11.436 1.00 0.27 O ATOM 2090 CB VAL A 137 5.401 -3.559 -12.601 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.922 -3.608 -12.581 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.814 -4.733 -13.372 1.00 0.49 C ATOM 0 H VAL A 137 3.502 -4.963 -11.815 1.00 0.33 H new ATOM 0 HA VAL A 137 5.617 -3.765 -10.457 1.00 0.27 H new ATOM 0 HB VAL A 137 5.105 -2.649 -13.123 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.298 -3.654 -13.603 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.308 -2.714 -12.092 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.250 -4.492 -12.034 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.231 -4.752 -14.379 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.059 -5.664 -12.860 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.731 -4.625 -13.430 1.00 0.49 H new ATOM 2102 N PRO A 138 5.095 -1.330 -10.102 1.00 0.25 N ATOM 2103 CA PRO A 138 4.828 0.085 -9.870 1.00 0.27 C ATOM 2104 C PRO A 138 4.694 0.886 -11.147 1.00 0.30 C ATOM 2105 O PRO A 138 5.283 0.562 -12.180 1.00 0.29 O ATOM 2106 CB PRO A 138 6.058 0.563 -9.131 1.00 0.30 C ATOM 2107 CG PRO A 138 6.577 -0.635 -8.441 1.00 0.29 C ATOM 2108 CD PRO A 138 6.219 -1.822 -9.298 1.00 0.27 C ATOM 0 HA PRO A 138 3.886 0.214 -9.337 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.797 0.974 -9.819 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.810 1.352 -8.421 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.657 -0.567 -8.307 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.138 -0.729 -7.448 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.055 -2.133 -9.924 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.935 -2.684 -8.694 1.00 0.27 H new ATOM 2116 N GLU A 139 3.948 1.958 -11.040 1.00 0.35 N ATOM 2117 CA GLU A 139 3.739 2.874 -12.149 1.00 0.40 C ATOM 2118 C GLU A 139 4.945 3.781 -12.276 1.00 0.42 C ATOM 2119 O GLU A 139 5.203 4.356 -13.333 1.00 0.50 O ATOM 2120 CB GLU A 139 2.461 3.681 -11.957 1.00 0.47 C ATOM 2121 CG GLU A 139 1.197 2.869 -12.187 1.00 0.80 C ATOM 2122 CD GLU A 139 1.076 2.396 -13.625 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.954 1.640 -14.086 1.00 2.01 O ATOM 2124 OE2 GLU A 139 0.085 2.760 -14.289 1.00 1.98 O ATOM 0 H GLU A 139 3.465 2.226 -10.182 1.00 0.35 H new ATOM 0 HA GLU A 139 3.623 2.304 -13.071 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.445 4.087 -10.946 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.469 4.529 -12.641 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.194 2.006 -11.521 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.327 3.473 -11.930 1.00 0.80 H new ATOM 2131 N GLU A 140 5.653 3.920 -11.163 1.00 0.42 N ATOM 2132 CA GLU A 140 7.027 4.355 -11.162 1.00 0.44 C ATOM 2133 C GLU A 140 7.799 3.672 -12.262 1.00 0.43 C ATOM 2134 O GLU A 140 8.452 4.306 -13.089 1.00 0.51 O ATOM 2135 CB GLU A 140 7.668 3.935 -9.853 1.00 0.45 C ATOM 2136 CG GLU A 140 7.585 4.946 -8.766 1.00 0.75 C ATOM 2137 CD GLU A 140 6.171 5.185 -8.265 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.318 4.278 -8.415 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.916 6.272 -7.700 1.00 1.14 O ATOM 0 H GLU A 140 5.279 3.730 -10.233 1.00 0.42 H new ATOM 0 HA GLU A 140 7.047 5.436 -11.301 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.194 3.015 -9.511 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.717 3.704 -10.036 1.00 0.45 H new ATOM 0 HG2 GLU A 140 8.207 4.622 -7.932 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.998 5.888 -9.125 1.00 0.75 H new ATOM 2146 N TRP A 141 7.698 2.356 -12.244 1.00 0.35 N ATOM 2147 CA TRP A 141 8.569 1.521 -13.030 1.00 0.35 C ATOM 2148 C TRP A 141 7.939 1.179 -14.378 1.00 0.38 C ATOM 2149 O TRP A 141 8.643 0.827 -15.326 1.00 0.45 O ATOM 2150 CB TRP A 141 8.936 0.268 -12.259 1.00 0.32 C ATOM 2151 CG TRP A 141 9.381 0.500 -10.829 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.661 1.693 -10.182 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.564 -0.523 -9.846 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.007 1.444 -8.878 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.950 0.098 -8.646 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.429 -1.904 -9.875 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.200 -0.625 -7.479 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.667 -2.625 -8.718 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.045 -1.984 -7.530 1.00 0.23 C ATOM 0 H TRP A 141 7.014 1.845 -11.687 1.00 0.35 H new ATOM 0 HA TRP A 141 9.485 2.077 -13.232 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.075 -0.400 -12.251 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.735 -0.247 -12.793 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.614 2.672 -10.636 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.266 2.151 -8.190 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.143 -2.408 -10.786 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.505 -0.130 -6.569 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.560 -3.700 -8.731 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.217 -2.572 -6.641 1.00 0.23 H new ATOM 2170 N GLY A 142 6.612 1.270 -14.463 1.00 0.35 N ATOM 2171 CA GLY A 142 5.953 1.120 -15.748 1.00 0.39 C ATOM 2172 C GLY A 142 5.064 -0.100 -15.799 1.00 0.38 C ATOM 2173 O GLY A 142 4.812 -0.658 -16.868 1.00 0.45 O ATOM 0 H GLY A 142 5.989 1.443 -13.674 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.357 2.009 -15.954 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.705 1.051 -16.534 1.00 0.39 H new ATOM 2177 N GLY A 143 4.599 -0.517 -14.638 1.00 0.33 N ATOM 2178 CA GLY A 143 3.731 -1.669 -14.564 1.00 0.34 C ATOM 2179 C GLY A 143 2.261 -1.306 -14.554 1.00 0.37 C ATOM 2180 O GLY A 143 1.707 -0.907 -15.582 1.00 0.50 O ATOM 0 H GLY A 143 4.807 -0.078 -13.741 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.932 -2.323 -15.413 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.965 -2.236 -13.663 1.00 0.34 H new ATOM 2184 N ASP A 144 1.633 -1.441 -13.393 1.00 0.33 N ATOM 2185 CA ASP A 144 0.206 -1.193 -13.256 1.00 0.40 C ATOM 2186 C ASP A 144 -0.157 -0.883 -11.807 1.00 0.30 C ATOM 2187 O ASP A 144 -1.304 -1.080 -11.380 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.582 -2.409 -13.718 1.00 0.57 C ATOM 2189 CG ASP A 144 -1.590 -2.096 -14.806 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -2.686 -1.593 -14.476 1.00 1.30 O ATOM 2191 OD2 ASP A 144 -1.294 -2.328 -15.991 1.00 1.19 O ATOM 0 H ASP A 144 2.094 -1.723 -12.528 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.046 -0.332 -13.875 1.00 0.40 H new ATOM 0 HB2 ASP A 144 0.113 -3.165 -14.083 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -1.103 -2.841 -12.864 1.00 0.57 H new ATOM 2196 N THR A 145 0.814 -0.425 -11.029 1.00 0.25 N ATOM 2197 CA THR A 145 0.579 -0.247 -9.603 1.00 0.24 C ATOM 2198 C THR A 145 1.143 1.072 -9.068 1.00 0.24 C ATOM 2199 O THR A 145 2.353 1.269 -9.010 1.00 0.31 O ATOM 2200 CB THR A 145 1.187 -1.434 -8.840 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.764 -2.648 -9.464 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.752 -1.439 -7.390 1.00 0.28 C ATOM 0 H THR A 145 1.749 -0.175 -11.350 1.00 0.25 H new ATOM 0 HA THR A 145 -0.499 -0.208 -9.448 1.00 0.24 H new ATOM 0 HB THR A 145 2.273 -1.345 -8.867 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.193 -2.784 -9.300 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.200 -2.291 -6.879 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.077 -0.516 -6.910 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.334 -1.513 -7.336 1.00 0.28 H new ATOM 2210 N ILE A 146 0.252 1.973 -8.671 1.00 0.26 N ATOM 2211 CA ILE A 146 0.655 3.270 -8.135 1.00 0.27 C ATOM 2212 C ILE A 146 1.142 3.134 -6.697 1.00 0.24 C ATOM 2213 O ILE A 146 0.375 2.754 -5.820 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.518 4.267 -8.147 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.148 4.345 -9.532 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.045 5.644 -7.707 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.393 5.202 -9.571 1.00 1.23 C ATOM 0 H ILE A 146 -0.757 1.830 -8.710 1.00 0.26 H new ATOM 0 HA ILE A 146 1.459 3.639 -8.771 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.274 3.913 -7.446 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -0.417 4.745 -10.235 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.397 3.338 -9.869 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -0.885 6.339 -7.720 1.00 0.34 H new ATOM 0 HG22 ILE A 146 0.360 5.584 -6.697 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.729 5.998 -8.388 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.793 5.217 -10.585 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -3.140 4.790 -8.892 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.145 6.218 -9.264 1.00 1.23 H new ATOM 2229 N PHE A 147 2.404 3.453 -6.453 1.00 0.23 N ATOM 2230 CA PHE A 147 2.961 3.371 -5.107 1.00 0.22 C ATOM 2231 C PHE A 147 2.896 4.705 -4.387 1.00 0.24 C ATOM 2232 O PHE A 147 3.719 5.595 -4.614 1.00 0.38 O ATOM 2233 CB PHE A 147 4.400 2.885 -5.161 1.00 0.23 C ATOM 2234 CG PHE A 147 4.485 1.400 -5.128 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.297 0.667 -6.283 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.781 0.737 -3.952 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.394 -0.706 -6.265 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.884 -0.636 -3.929 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.599 -1.360 -5.046 1.00 0.19 C ATOM 0 H PHE A 147 3.062 3.770 -7.165 1.00 0.23 H new ATOM 0 HA PHE A 147 2.356 2.658 -4.547 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.875 3.256 -6.069 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.955 3.299 -4.319 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.072 1.175 -7.209 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.933 1.301 -3.043 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.313 -1.272 -7.182 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.191 -1.139 -3.024 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.531 -2.436 -4.991 1.00 0.19 H new ATOM 2249 N CYS A 148 1.927 4.831 -3.502 1.00 0.25 N ATOM 2250 CA CYS A 148 1.768 6.033 -2.718 1.00 0.28 C ATOM 2251 C CYS A 148 2.426 5.860 -1.367 1.00 0.26 C ATOM 2252 O CYS A 148 1.864 5.236 -0.474 1.00 0.32 O ATOM 2253 CB CYS A 148 0.287 6.341 -2.522 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.615 6.611 -4.064 1.00 1.10 S ATOM 0 H CYS A 148 1.234 4.108 -3.309 1.00 0.25 H new ATOM 0 HA CYS A 148 2.240 6.859 -3.249 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.177 5.516 -1.981 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.190 7.228 -1.896 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.719 5.487 -4.709 1.00 1.10 H new ATOM 2260 N LYS A 149 3.625 6.384 -1.225 1.00 0.37 N ATOM 2261 CA LYS A 149 4.280 6.411 0.068 1.00 0.38 C ATOM 2262 C LYS A 149 3.705 7.561 0.885 1.00 0.39 C ATOM 2263 O LYS A 149 4.235 8.671 0.895 1.00 0.47 O ATOM 2264 CB LYS A 149 5.801 6.520 -0.107 1.00 0.47 C ATOM 2265 CG LYS A 149 6.239 7.550 -1.137 1.00 0.64 C ATOM 2266 CD LYS A 149 7.726 7.444 -1.439 1.00 0.94 C ATOM 2267 CE LYS A 149 8.190 8.527 -2.407 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.400 8.536 -3.668 1.00 2.44 N ATOM 0 H LYS A 149 4.166 6.796 -1.986 1.00 0.37 H new ATOM 0 HA LYS A 149 4.094 5.483 0.608 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.249 6.771 0.854 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.193 5.545 -0.396 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.670 7.411 -2.056 1.00 0.64 H new ATOM 0 HG3 LYS A 149 6.012 8.551 -0.770 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.291 7.521 -0.510 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.941 6.463 -1.862 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.110 9.501 -1.924 1.00 1.57 H new ATOM 0 HE3 LYS A 149 9.243 8.374 -2.642 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.845 9.181 -4.352 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.370 7.576 -4.066 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.431 8.858 -3.469 1.00 2.44 H new ATOM 2282 N LEU A 150 2.592 7.282 1.552 1.00 0.40 N ATOM 2283 CA LEU A 150 1.803 8.314 2.192 1.00 0.45 C ATOM 2284 C LEU A 150 1.879 8.249 3.711 1.00 0.45 C ATOM 2285 O LEU A 150 2.532 7.382 4.293 1.00 0.49 O ATOM 2286 CB LEU A 150 0.339 8.256 1.704 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.560 7.081 2.150 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.190 5.775 2.267 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.295 7.405 3.441 1.00 1.27 C ATOM 0 H LEU A 150 2.217 6.340 1.661 1.00 0.40 H new ATOM 0 HA LEU A 150 2.231 9.274 1.902 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.148 9.179 2.018 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.356 8.260 0.614 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.298 6.946 1.359 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.495 4.989 2.584 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.619 5.514 1.300 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.988 5.878 3.002 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.919 6.558 3.727 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.571 7.606 4.231 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.923 8.283 3.292 1.00 1.27 H new ATOM 2301 N SER A 151 1.191 9.176 4.344 1.00 0.49 N ATOM 2302 CA SER A 151 1.235 9.315 5.779 1.00 0.55 C ATOM 2303 C SER A 151 -0.111 9.778 6.318 1.00 0.57 C ATOM 2304 O SER A 151 -0.472 10.945 6.181 1.00 0.60 O ATOM 2305 CB SER A 151 2.327 10.310 6.138 1.00 0.66 C ATOM 2306 OG SER A 151 2.330 11.406 5.234 1.00 1.79 O ATOM 0 H SER A 151 0.587 9.852 3.876 1.00 0.49 H new ATOM 0 HA SER A 151 1.455 8.349 6.232 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.175 10.672 7.155 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.297 9.814 6.118 1.00 0.66 H new ATOM 0 HG SER A 151 2.457 12.240 5.732 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.851 8.860 6.923 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.170 9.172 7.466 1.00 0.70 C ATOM 2314 C ALA A 152 -2.074 10.133 8.645 1.00 0.74 C ATOM 2315 O ALA A 152 -3.051 10.778 9.016 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.871 7.894 7.887 1.00 0.86 C ATOM 0 H ALA A 152 -0.562 7.890 7.052 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.751 9.662 6.684 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.854 8.135 8.291 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.984 7.239 7.023 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.279 7.389 8.650 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.883 10.234 9.214 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.651 11.086 10.360 1.00 0.93 C ATOM 2324 C LYS A 153 -0.520 12.527 9.924 1.00 0.86 C ATOM 2325 O LYS A 153 -1.305 13.392 10.319 1.00 0.96 O ATOM 2326 CB LYS A 153 0.612 10.660 11.075 1.00 1.13 C ATOM 2327 CG LYS A 153 0.984 11.543 12.255 1.00 1.19 C ATOM 2328 CD LYS A 153 -0.108 11.552 13.310 1.00 1.68 C ATOM 2329 CE LYS A 153 0.239 12.487 14.453 1.00 2.31 C ATOM 2330 NZ LYS A 153 -0.819 12.505 15.493 1.00 3.03 N ATOM 0 H LYS A 153 -0.057 9.729 8.893 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.500 10.993 11.038 1.00 0.93 H new ATOM 0 HB2 LYS A 153 0.490 9.635 11.426 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.437 10.657 10.363 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.915 11.188 12.697 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.164 12.560 11.907 1.00 1.19 H new ATOM 0 HD2 LYS A 153 -1.051 11.860 12.858 1.00 1.68 H new ATOM 0 HD3 LYS A 153 -0.254 10.543 13.694 1.00 1.68 H new ATOM 0 HE2 LYS A 153 1.183 12.178 14.901 1.00 2.31 H new ATOM 0 HE3 LYS A 153 0.385 13.495 14.066 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 -0.544 13.156 16.256 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 -1.715 12.824 15.072 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 -0.941 11.548 15.881 1.00 3.03 H new ATOM 2344 N THR A 154 0.473 12.770 9.097 1.00 0.78 N ATOM 2345 CA THR A 154 0.783 14.117 8.668 1.00 0.81 C ATOM 2346 C THR A 154 -0.055 14.543 7.465 1.00 0.73 C ATOM 2347 O THR A 154 0.034 15.689 7.025 1.00 0.82 O ATOM 2348 CB THR A 154 2.282 14.266 8.356 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.739 13.143 7.593 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.090 14.374 9.639 1.00 1.20 C ATOM 0 H THR A 154 1.082 12.050 8.707 1.00 0.78 H new ATOM 0 HA THR A 154 0.531 14.779 9.496 1.00 0.81 H new ATOM 0 HB THR A 154 2.422 15.179 7.776 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.438 13.433 6.970 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.147 14.479 9.395 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.760 15.245 10.205 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.943 13.476 10.238 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.843 13.601 6.928 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.832 13.889 5.875 1.00 0.67 C ATOM 2360 C LYS A 155 -1.175 14.158 4.511 1.00 0.66 C ATOM 2361 O LYS A 155 -1.861 14.236 3.490 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.714 15.077 6.300 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.764 15.497 5.277 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.906 14.498 5.175 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.795 14.518 6.409 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.283 15.887 6.724 1.00 2.27 N ATOM 0 H LYS A 155 -0.815 12.621 7.209 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.453 13.002 5.752 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -3.218 14.821 7.232 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.071 15.931 6.510 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.163 16.474 5.550 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.292 15.607 4.300 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.506 14.722 4.293 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.500 13.496 5.038 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.647 13.857 6.252 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -5.240 14.126 7.261 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.260 15.835 7.076 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.675 16.313 7.452 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -6.255 16.472 5.864 1.00 2.27 H new ATOM 2380 N GLU A 156 0.151 14.241 4.493 1.00 0.62 N ATOM 2381 CA GLU A 156 0.893 14.609 3.286 1.00 0.66 C ATOM 2382 C GLU A 156 0.561 13.672 2.129 1.00 0.59 C ATOM 2383 O GLU A 156 0.130 14.094 1.044 1.00 0.58 O ATOM 2384 CB GLU A 156 2.397 14.555 3.572 1.00 0.75 C ATOM 2385 CG GLU A 156 2.806 15.296 4.835 1.00 1.13 C ATOM 2386 CD GLU A 156 4.283 15.164 5.136 1.00 1.78 C ATOM 2387 OE1 GLU A 156 5.088 15.890 4.517 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.650 14.342 6.008 1.00 2.64 O ATOM 0 H GLU A 156 0.740 14.058 5.305 1.00 0.62 H new ATOM 0 HA GLU A 156 0.604 15.621 3.002 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.704 13.513 3.657 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.935 14.978 2.723 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.553 16.351 4.730 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.232 14.913 5.678 1.00 1.13 H new ATOM 2395 N GLY A 157 0.749 12.391 2.378 1.00 0.62 N ATOM 2396 CA GLY A 157 0.537 11.401 1.362 1.00 0.61 C ATOM 2397 C GLY A 157 -0.916 11.255 0.946 1.00 0.48 C ATOM 2398 O GLY A 157 -1.194 10.731 -0.124 1.00 0.46 O ATOM 0 H GLY A 157 1.049 12.019 3.279 1.00 0.62 H new ATOM 0 HA2 GLY A 157 1.132 11.659 0.486 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.901 10.439 1.723 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.843 11.712 1.783 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.265 11.597 1.473 1.00 0.50 C ATOM 2404 C LEU A 158 -3.622 12.483 0.291 1.00 0.46 C ATOM 2405 O LEU A 158 -4.382 12.082 -0.593 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.129 11.963 2.684 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.298 10.860 3.735 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.829 9.586 3.101 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -2.987 10.590 4.446 1.00 1.27 C ATOM 0 H LEU A 158 -1.638 12.162 2.675 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.467 10.558 1.213 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.693 12.837 3.168 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.117 12.255 2.328 1.00 0.62 H new ATOM 0 HG LEU A 158 -5.024 11.205 4.471 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.941 8.818 3.866 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.798 9.784 2.642 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -4.130 9.240 2.339 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -3.130 9.804 5.187 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -2.238 10.272 3.720 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -2.648 11.499 4.942 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.062 13.682 0.282 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.232 14.598 -0.838 1.00 0.57 C ATOM 2423 C ASP A 159 -2.671 13.973 -2.110 1.00 0.50 C ATOM 2424 O ASP A 159 -3.303 14.004 -3.168 1.00 0.52 O ATOM 2425 CB ASP A 159 -2.533 15.925 -0.539 1.00 0.73 C ATOM 2426 CG ASP A 159 -2.564 16.889 -1.711 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.629 17.488 -1.960 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -1.517 17.059 -2.375 1.00 2.50 O ATOM 0 H ASP A 159 -2.484 14.046 1.039 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.295 14.791 -0.984 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.009 16.394 0.323 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -1.497 15.729 -0.264 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.490 13.377 -1.990 1.00 0.47 N ATOM 2434 CA HIS A 160 -0.858 12.700 -3.120 1.00 0.46 C ATOM 2435 C HIS A 160 -1.674 11.479 -3.556 1.00 0.41 C ATOM 2436 O HIS A 160 -1.799 11.199 -4.748 1.00 0.43 O ATOM 2437 CB HIS A 160 0.570 12.284 -2.748 1.00 0.50 C ATOM 2438 CG HIS A 160 1.325 11.594 -3.850 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.898 12.270 -4.905 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.605 10.284 -4.053 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.496 11.409 -5.708 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.334 10.197 -5.215 1.00 0.67 N ATOM 0 H HIS A 160 -0.951 13.348 -1.125 1.00 0.47 H new ATOM 0 HA HIS A 160 -0.819 13.394 -3.959 1.00 0.46 H new ATOM 0 HB2 HIS A 160 1.126 13.171 -2.444 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.528 11.622 -1.883 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.310 9.461 -3.419 1.00 0.59 H new ATOM 0 HE1 HIS A 160 3.028 11.656 -6.615 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.691 9.336 -5.628 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.229 10.770 -2.582 1.00 0.39 N ATOM 2452 CA LEU A 161 -2.975 9.538 -2.833 1.00 0.39 C ATOM 2453 C LEU A 161 -4.184 9.774 -3.729 1.00 0.39 C ATOM 2454 O LEU A 161 -4.297 9.166 -4.792 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.429 8.922 -1.505 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.358 7.710 -1.629 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.647 6.550 -2.305 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.876 7.297 -0.263 1.00 0.88 C ATOM 0 H LEU A 161 -2.177 11.030 -1.597 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.307 8.851 -3.352 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.545 8.625 -0.940 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -3.937 9.690 -0.922 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.208 7.993 -2.250 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.327 5.701 -2.382 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.328 6.851 -3.303 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.775 6.265 -1.716 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.534 6.435 -0.369 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.036 7.035 0.381 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.430 8.124 0.181 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.083 10.651 -3.296 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.302 10.930 -4.039 1.00 0.44 C ATOM 2472 C LEU A 162 -5.978 11.370 -5.459 1.00 0.45 C ATOM 2473 O LEU A 162 -6.625 10.941 -6.409 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.112 12.014 -3.325 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.558 11.665 -1.902 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.302 12.834 -1.272 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.430 10.417 -1.900 1.00 1.06 C ATOM 0 H LEU A 162 -4.988 11.182 -2.430 1.00 0.40 H new ATOM 0 HA LEU A 162 -6.894 10.016 -4.089 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.516 12.926 -3.288 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -7.997 12.236 -3.922 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.667 11.461 -1.308 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.611 12.567 -0.261 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.646 13.704 -1.233 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.182 13.070 -1.870 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.735 10.188 -0.879 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.315 10.590 -2.513 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -7.865 9.578 -2.307 1.00 1.06 H new ATOM 2489 N GLU A 163 -4.952 12.196 -5.605 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.578 12.702 -6.920 1.00 0.52 C ATOM 2491 C GLU A 163 -4.064 11.578 -7.817 1.00 0.51 C ATOM 2492 O GLU A 163 -4.251 11.615 -9.032 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.541 13.820 -6.794 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.055 15.034 -6.035 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.331 15.603 -6.631 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -6.421 15.083 -6.312 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -5.253 16.566 -7.421 1.00 1.97 O ATOM 0 H GLU A 163 -4.368 12.528 -4.838 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.471 13.117 -7.388 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.657 13.431 -6.288 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.227 14.129 -7.791 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.236 14.758 -4.996 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.286 15.806 -6.030 1.00 1.06 H new ATOM 2504 N MET A 164 -3.441 10.568 -7.216 1.00 0.49 N ATOM 2505 CA MET A 164 -2.992 9.400 -7.971 1.00 0.52 C ATOM 2506 C MET A 164 -4.194 8.580 -8.420 1.00 0.51 C ATOM 2507 O MET A 164 -4.234 8.070 -9.539 1.00 0.57 O ATOM 2508 CB MET A 164 -2.061 8.525 -7.130 1.00 0.53 C ATOM 2509 CG MET A 164 -0.724 9.165 -6.784 1.00 0.68 C ATOM 2510 SD MET A 164 0.320 9.474 -8.226 1.00 0.87 S ATOM 2511 CE MET A 164 -0.355 11.019 -8.839 1.00 0.67 C ATOM 0 H MET A 164 -3.236 10.533 -6.217 1.00 0.49 H new ATOM 0 HA MET A 164 -2.441 9.752 -8.843 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.572 8.261 -6.204 1.00 0.53 H new ATOM 0 HB3 MET A 164 -1.875 7.595 -7.668 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.904 10.107 -6.267 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.189 8.517 -6.090 1.00 0.68 H new ATOM 0 HE1 MET A 164 0.451 11.636 -9.235 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.076 10.813 -9.630 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.850 11.548 -8.025 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.167 8.475 -7.528 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.414 7.792 -7.798 1.00 0.51 C ATOM 2523 C ILE A 165 -7.112 8.406 -9.025 1.00 0.58 C ATOM 2524 O ILE A 165 -7.404 7.710 -10.002 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.313 7.903 -6.551 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.707 7.108 -5.390 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.714 7.430 -6.842 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.476 7.238 -4.091 1.00 0.50 C ATOM 0 H ILE A 165 -5.108 8.867 -6.588 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.219 6.743 -8.019 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.370 8.954 -6.267 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.659 6.055 -5.669 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.682 7.442 -5.229 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.323 7.521 -5.943 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.146 8.039 -7.636 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.688 6.387 -7.158 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.986 6.647 -3.317 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.502 8.284 -3.787 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.494 6.876 -4.233 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.363 9.716 -8.967 1.00 0.61 N ATOM 2541 CA LEU A 166 -7.946 10.456 -10.074 1.00 0.72 C ATOM 2542 C LEU A 166 -7.108 10.365 -11.345 1.00 0.72 C ATOM 2543 O LEU A 166 -7.657 10.302 -12.445 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.082 11.916 -9.671 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.276 12.255 -8.776 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -10.570 12.004 -9.522 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -9.273 11.464 -7.481 1.00 1.48 C ATOM 0 H LEU A 166 -7.165 10.289 -8.147 1.00 0.61 H new ATOM 0 HA LEU A 166 -8.918 10.014 -10.292 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.170 12.217 -9.156 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -8.150 12.518 -10.577 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.192 13.310 -8.516 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -11.415 12.248 -8.878 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -10.602 12.629 -10.415 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -10.626 10.955 -9.811 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -10.141 11.742 -6.883 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.314 10.398 -7.706 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -8.362 11.683 -6.923 1.00 1.48 H new ATOM 2559 N LEU A 167 -5.787 10.367 -11.194 1.00 0.69 N ATOM 2560 CA LEU A 167 -4.886 10.319 -12.342 1.00 0.79 C ATOM 2561 C LEU A 167 -5.132 9.059 -13.159 1.00 0.87 C ATOM 2562 O LEU A 167 -5.093 9.083 -14.389 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.423 10.379 -11.888 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.390 10.427 -13.019 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -2.536 11.706 -13.830 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -0.982 10.313 -12.456 1.00 1.41 C ATOM 0 H LEU A 167 -5.317 10.401 -10.290 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.088 11.188 -12.969 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.290 11.259 -11.259 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.216 9.508 -11.266 1.00 0.84 H new ATOM 0 HG LEU A 167 -2.570 9.581 -13.682 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -1.793 11.718 -14.627 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -3.535 11.749 -14.265 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.385 12.568 -13.180 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.260 10.349 -13.272 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -0.796 11.140 -11.771 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -0.879 9.369 -11.922 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.422 7.966 -12.472 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.701 6.709 -13.145 1.00 0.96 C ATOM 2580 C VAL A 168 -7.119 6.697 -13.689 1.00 1.01 C ATOM 2581 O VAL A 168 -7.368 6.165 -14.768 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.444 5.493 -12.227 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.448 4.370 -12.467 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.037 4.985 -12.464 1.00 1.14 C ATOM 0 H VAL A 168 -5.470 7.924 -11.454 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.011 6.625 -13.984 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.563 5.817 -11.193 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.228 3.537 -11.800 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.456 4.735 -12.271 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.378 4.034 -13.502 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.847 4.126 -11.820 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.928 4.687 -13.507 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.322 5.775 -12.236 1.00 1.14 H new