USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 436 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 Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= 0.733 F(o=0,f=0.73) USER MOD Single : A 14 THR OG1 : rot 113:sc= 1.24 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : B 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 THR OG1 : rot 82:sc= 1.3 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS : no HD1:sc= -0.295 K(o=-0.29,f=-1) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 8 13.385 -10.288 -4.596 1.00 0.00 N ATOM 101 CA LEU A 8 13.751 -11.637 -5.015 1.00 0.00 C ATOM 102 C LEU A 8 12.654 -12.258 -5.874 1.00 0.00 C ATOM 103 O LEU A 8 12.934 -12.980 -6.830 1.00 0.00 O ATOM 104 CB LEU A 8 14.018 -12.517 -3.793 1.00 0.00 C ATOM 105 CG LEU A 8 15.478 -12.633 -3.355 1.00 0.00 C ATOM 106 CD1 LEU A 8 16.328 -13.209 -4.477 1.00 0.00 C ATOM 107 CD2 LEU A 8 16.014 -11.277 -2.920 1.00 0.00 C ATOM 0 HA LEU A 8 14.660 -11.571 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.438 -12.127 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.642 -13.518 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 8 15.529 -13.312 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.364 -13.284 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.959 -14.200 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.271 -12.556 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.054 -11.379 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.949 -10.576 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.423 -10.903 -2.084 1.00 0.00 H new ATOM 119 N PHE A 9 11.404 -11.969 -5.527 1.00 0.00 N ATOM 120 CA PHE A 9 10.264 -12.498 -6.266 1.00 0.00 C ATOM 121 C PHE A 9 10.434 -12.269 -7.765 1.00 0.00 C ATOM 122 O PHE A 9 10.273 -13.189 -8.567 1.00 0.00 O ATOM 123 CB PHE A 9 8.968 -11.844 -5.783 1.00 0.00 C ATOM 124 CG PHE A 9 7.730 -12.462 -6.368 1.00 0.00 C ATOM 125 CD1 PHE A 9 7.298 -13.710 -5.947 1.00 0.00 C ATOM 126 CD2 PHE A 9 6.998 -11.796 -7.337 1.00 0.00 C ATOM 127 CE1 PHE A 9 6.160 -14.282 -6.484 1.00 0.00 C ATOM 128 CE2 PHE A 9 5.859 -12.362 -7.877 1.00 0.00 C ATOM 129 CZ PHE A 9 5.439 -13.607 -7.449 1.00 0.00 C ATOM 0 H PHE A 9 11.155 -11.371 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 9 10.211 -13.571 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.919 -11.912 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.989 -10.784 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.857 -14.241 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.321 -10.822 -7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.835 -15.256 -6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.298 -11.832 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.548 -14.051 -7.868 1.00 0.00 H new ATOM 139 N PHE A 10 10.761 -11.035 -8.136 1.00 0.00 N ATOM 140 CA PHE A 10 10.952 -10.683 -9.538 1.00 0.00 C ATOM 141 C PHE A 10 12.200 -11.355 -10.102 1.00 0.00 C ATOM 142 O PHE A 10 12.289 -11.616 -11.301 1.00 0.00 O ATOM 143 CB PHE A 10 11.061 -9.165 -9.694 1.00 0.00 C ATOM 144 CG PHE A 10 11.454 -8.732 -11.078 1.00 0.00 C ATOM 145 CD1 PHE A 10 12.789 -8.642 -11.437 1.00 0.00 C ATOM 146 CD2 PHE A 10 10.488 -8.414 -12.019 1.00 0.00 C ATOM 147 CE1 PHE A 10 13.154 -8.244 -12.709 1.00 0.00 C ATOM 148 CE2 PHE A 10 10.847 -8.016 -13.293 1.00 0.00 C ATOM 149 CZ PHE A 10 12.182 -7.930 -13.638 1.00 0.00 C ATOM 0 H PHE A 10 10.899 -10.262 -7.485 1.00 0.00 H new ATOM 0 HA PHE A 10 10.086 -11.037 -10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.103 -8.712 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.794 -8.786 -8.981 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.554 -8.886 -10.714 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.443 -8.478 -11.754 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.198 -8.179 -12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.085 -7.772 -14.018 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.465 -7.618 -14.632 1.00 0.00 H new ATOM 159 N MET A 11 13.162 -11.632 -9.228 1.00 0.00 N ATOM 160 CA MET A 11 14.406 -12.274 -9.638 1.00 0.00 C ATOM 161 C MET A 11 14.168 -13.737 -10.000 1.00 0.00 C ATOM 162 O MET A 11 14.445 -14.160 -11.123 1.00 0.00 O ATOM 163 CB MET A 11 15.448 -12.175 -8.523 1.00 0.00 C ATOM 164 CG MET A 11 16.331 -10.942 -8.624 1.00 0.00 C ATOM 165 SD MET A 11 15.398 -9.406 -8.478 1.00 0.00 S ATOM 166 CE MET A 11 16.536 -8.409 -7.519 1.00 0.00 C ATOM 0 H MET A 11 13.104 -11.422 -8.232 1.00 0.00 H new ATOM 0 HA MET A 11 14.780 -11.755 -10.521 1.00 0.00 H new ATOM 0 HB2 MET A 11 14.938 -12.169 -7.560 1.00 0.00 H new ATOM 0 HB3 MET A 11 16.077 -13.065 -8.545 1.00 0.00 H new ATOM 0 HG2 MET A 11 17.089 -10.978 -7.842 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.857 -10.954 -9.579 1.00 0.00 H new ATOM 0 HE1 MET A 11 16.100 -7.425 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 11 16.728 -8.895 -6.562 1.00 0.00 H new ATOM 0 HE3 MET A 11 17.473 -8.300 -8.065 1.00 0.00 H new ATOM 176 N ILE A 12 13.655 -14.503 -9.043 1.00 0.00 N ATOM 177 CA ILE A 12 13.381 -15.917 -9.263 1.00 0.00 C ATOM 178 C ILE A 12 12.554 -16.127 -10.527 1.00 0.00 C ATOM 179 O ILE A 12 12.979 -16.821 -11.450 1.00 0.00 O ATOM 180 CB ILE A 12 12.636 -16.538 -8.067 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.518 -16.509 -6.817 1.00 0.00 C ATOM 182 CG2 ILE A 12 12.212 -17.963 -8.389 1.00 0.00 C ATOM 183 CD1 ILE A 12 12.965 -15.643 -5.707 1.00 0.00 C ATOM 0 H ILE A 12 13.421 -14.168 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 12 14.346 -16.411 -9.377 1.00 0.00 H new ATOM 0 HB ILE A 12 11.740 -15.948 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.642 -17.526 -6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.509 -16.147 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.687 -18.388 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.551 -17.959 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.094 -18.564 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.642 -15.670 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.868 -14.617 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.987 -16.018 -5.406 1.00 0.00 H new ATOM 195 N ASN A 13 11.372 -15.521 -10.562 1.00 0.00 N ATOM 196 CA ASN A 13 10.486 -15.640 -11.714 1.00 0.00 C ATOM 197 C ASN A 13 11.232 -15.333 -13.008 1.00 0.00 C ATOM 198 O ASN A 13 11.292 -16.163 -13.916 1.00 0.00 O ATOM 199 CB ASN A 13 9.291 -14.696 -11.564 1.00 0.00 C ATOM 200 CG ASN A 13 8.220 -15.259 -10.650 1.00 0.00 C ATOM 201 OD1 ASN A 13 7.472 -16.237 -11.147 1.00 0.00 O flip ATOM 202 ND2 ASN A 13 8.068 -14.820 -9.510 1.00 0.00 N flip ATOM 0 H ASN A 13 11.006 -14.943 -9.806 1.00 0.00 H new ATOM 0 HA ASN A 13 10.125 -16.668 -11.759 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.634 -13.739 -11.170 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.861 -14.500 -12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.666 -14.067 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.344 -15.209 -8.906 1.00 0.00 H new ATOM 209 N THR A 14 11.801 -14.134 -13.087 1.00 0.00 N ATOM 210 CA THR A 14 12.543 -13.716 -14.270 1.00 0.00 C ATOM 211 C THR A 14 13.646 -14.713 -14.607 1.00 0.00 C ATOM 212 O THR A 14 13.992 -14.899 -15.774 1.00 0.00 O ATOM 213 CB THR A 14 13.167 -12.322 -14.078 1.00 0.00 C ATOM 214 OG1 THR A 14 12.139 -11.350 -13.861 1.00 0.00 O ATOM 215 CG2 THR A 14 13.996 -11.928 -15.291 1.00 0.00 C ATOM 0 H THR A 14 11.762 -13.435 -12.345 1.00 0.00 H new ATOM 0 HA THR A 14 11.830 -13.676 -15.093 1.00 0.00 H new ATOM 0 HB THR A 14 13.821 -12.359 -13.207 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.206 -11.002 -12.947 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.427 -10.939 -15.132 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.796 -12.653 -15.436 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.360 -11.908 -16.176 1.00 0.00 H new ATOM 223 N SER A 15 14.195 -15.352 -13.579 1.00 0.00 N ATOM 224 CA SER A 15 15.262 -16.328 -13.767 1.00 0.00 C ATOM 225 C SER A 15 14.731 -17.590 -14.439 1.00 0.00 C ATOM 226 O SER A 15 15.137 -17.934 -15.549 1.00 0.00 O ATOM 227 CB SER A 15 15.900 -16.682 -12.422 1.00 0.00 C ATOM 228 OG SER A 15 17.253 -17.070 -12.587 1.00 0.00 O ATOM 0 H SER A 15 13.919 -15.211 -12.607 1.00 0.00 H new ATOM 0 HA SER A 15 16.018 -15.884 -14.414 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.843 -15.824 -11.752 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.341 -17.491 -11.952 1.00 0.00 H new ATOM 0 HG SER A 15 17.639 -17.290 -11.713 1.00 0.00 H new ATOM 234 N ILE A 16 13.820 -18.278 -13.757 1.00 0.00 N ATOM 235 CA ILE A 16 13.233 -19.502 -14.287 1.00 0.00 C ATOM 236 C ILE A 16 12.739 -19.300 -15.716 1.00 0.00 C ATOM 237 O ILE A 16 12.719 -20.237 -16.515 1.00 0.00 O ATOM 238 CB ILE A 16 12.060 -19.987 -13.415 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.537 -20.258 -11.986 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.435 -21.237 -14.016 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.435 -20.169 -10.954 1.00 0.00 C ATOM 0 H ILE A 16 13.473 -18.008 -12.837 1.00 0.00 H new ATOM 0 HA ILE A 16 14.018 -20.258 -14.279 1.00 0.00 H new ATOM 0 HB ILE A 16 11.302 -19.204 -13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.984 -21.251 -11.943 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.320 -19.544 -11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.607 -21.568 -13.388 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.065 -21.014 -15.017 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.184 -22.026 -14.074 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.845 -20.372 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.003 -19.169 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.662 -20.902 -11.184 1.00 0.00 H new ATOM 253 N LEU A 17 12.343 -18.072 -16.031 1.00 0.00 N ATOM 254 CA LEU A 17 11.851 -17.746 -17.365 1.00 0.00 C ATOM 255 C LEU A 17 13.008 -17.480 -18.323 1.00 0.00 C ATOM 256 O LEU A 17 13.158 -18.162 -19.338 1.00 0.00 O ATOM 257 CB LEU A 17 10.932 -16.524 -17.307 1.00 0.00 C ATOM 258 CG LEU A 17 9.514 -16.725 -17.841 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.669 -15.485 -17.594 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.546 -17.063 -19.325 1.00 0.00 C ATOM 0 H LEU A 17 12.353 -17.286 -15.381 1.00 0.00 H new ATOM 0 HA LEU A 17 11.286 -18.601 -17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.865 -16.194 -16.270 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.399 -15.716 -17.870 1.00 0.00 H new ATOM 0 HG LEU A 17 9.061 -17.560 -17.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.663 -15.647 -17.981 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.618 -15.287 -16.523 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.119 -14.631 -18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.528 -17.203 -19.688 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.018 -16.248 -19.874 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.115 -17.980 -19.477 1.00 0.00 H new ATOM 272 N LEU A 18 13.826 -16.486 -17.993 1.00 0.00 N ATOM 273 CA LEU A 18 14.972 -16.131 -18.823 1.00 0.00 C ATOM 274 C LEU A 18 15.806 -17.364 -19.155 1.00 0.00 C ATOM 275 O LEU A 18 16.296 -17.511 -20.275 1.00 0.00 O ATOM 276 CB LEU A 18 15.839 -15.091 -18.111 1.00 0.00 C ATOM 277 CG LEU A 18 15.346 -13.645 -18.181 1.00 0.00 C ATOM 278 CD1 LEU A 18 16.441 -12.686 -17.741 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.874 -13.310 -19.588 1.00 0.00 C ATOM 0 H LEU A 18 13.717 -15.912 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 18 14.598 -15.707 -19.755 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.924 -15.375 -17.062 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.843 -15.133 -18.534 1.00 0.00 H new ATOM 0 HG LEU A 18 14.501 -13.536 -17.501 1.00 0.00 H new ATOM 0 HD11 LEU A 18 16.072 -11.662 -17.797 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.731 -12.911 -16.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.306 -12.797 -18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.527 -12.277 -19.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.699 -13.436 -20.288 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.057 -13.976 -19.866 1.00 0.00 H new ATOM 291 N ILE A 19 15.963 -18.248 -18.175 1.00 0.00 N ATOM 292 CA ILE A 19 16.735 -19.469 -18.364 1.00 0.00 C ATOM 293 C ILE A 19 16.152 -20.319 -19.488 1.00 0.00 C ATOM 294 O ILE A 19 16.780 -20.504 -20.531 1.00 0.00 O ATOM 295 CB ILE A 19 16.786 -20.309 -17.074 1.00 0.00 C ATOM 296 CG1 ILE A 19 17.491 -19.532 -15.961 1.00 0.00 C ATOM 297 CG2 ILE A 19 17.490 -21.633 -17.332 1.00 0.00 C ATOM 298 CD1 ILE A 19 17.044 -19.927 -14.571 1.00 0.00 C ATOM 0 H ILE A 19 15.565 -18.141 -17.242 1.00 0.00 H new ATOM 0 HA ILE A 19 17.747 -19.164 -18.629 1.00 0.00 H new ATOM 0 HB ILE A 19 15.765 -20.519 -16.754 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.567 -19.687 -16.046 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.311 -18.466 -16.103 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.518 -22.216 -16.411 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.949 -22.190 -18.097 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.508 -21.444 -17.673 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.586 -19.336 -13.833 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.974 -19.745 -14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.250 -20.985 -14.410 1.00 0.00 H new ATOM 310 N PHE A 20 14.946 -20.833 -19.270 1.00 0.00 N ATOM 311 CA PHE A 20 14.277 -21.663 -20.265 1.00 0.00 C ATOM 312 C PHE A 20 14.113 -20.909 -21.581 1.00 0.00 C ATOM 313 O PHE A 20 14.038 -21.515 -22.650 1.00 0.00 O ATOM 314 CB PHE A 20 12.909 -22.113 -19.748 1.00 0.00 C ATOM 315 CG PHE A 20 12.561 -23.525 -20.123 1.00 0.00 C ATOM 316 CD1 PHE A 20 12.358 -23.874 -21.448 1.00 0.00 C ATOM 317 CD2 PHE A 20 12.438 -24.504 -19.150 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.037 -25.172 -21.796 1.00 0.00 C ATOM 319 CE2 PHE A 20 12.117 -25.805 -19.492 1.00 0.00 C ATOM 320 CZ PHE A 20 11.918 -26.139 -20.817 1.00 0.00 C ATOM 0 H PHE A 20 14.412 -20.689 -18.413 1.00 0.00 H new ATOM 0 HA PHE A 20 14.897 -22.541 -20.445 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.891 -22.019 -18.662 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.143 -21.443 -20.139 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.452 -23.123 -22.218 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.595 -24.248 -18.113 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.879 -25.430 -22.833 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.022 -26.558 -18.724 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.670 -27.155 -21.087 1.00 0.00 H new ATOM 330 N ILE A 21 14.057 -19.584 -21.494 1.00 0.00 N ATOM 331 CA ILE A 21 13.903 -18.747 -22.677 1.00 0.00 C ATOM 332 C ILE A 21 15.167 -18.761 -23.529 1.00 0.00 C ATOM 333 O ILE A 21 15.118 -19.042 -24.727 1.00 0.00 O ATOM 334 CB ILE A 21 13.569 -17.292 -22.297 1.00 0.00 C ATOM 335 CG1 ILE A 21 12.057 -17.115 -22.149 1.00 0.00 C ATOM 336 CG2 ILE A 21 14.121 -16.333 -23.341 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.662 -15.799 -21.515 1.00 0.00 C ATOM 0 H ILE A 21 14.116 -19.067 -20.616 1.00 0.00 H new ATOM 0 HA ILE A 21 13.076 -19.163 -23.252 1.00 0.00 H new ATOM 0 HB ILE A 21 14.037 -17.065 -21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.593 -17.189 -23.132 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.661 -17.933 -21.547 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.877 -15.309 -23.059 1.00 0.00 H new ATOM 0 HG22 ILE A 21 15.204 -16.445 -23.402 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.678 -16.557 -24.311 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.576 -15.742 -21.442 1.00 0.00 H new ATOM 0 HD12 ILE A 21 12.097 -15.730 -20.518 1.00 0.00 H new ATOM 0 HD13 ILE A 21 12.028 -14.975 -22.128 1.00 0.00 H new ATOM 349 N PHE A 22 16.299 -18.457 -22.904 1.00 0.00 N ATOM 350 CA PHE A 22 17.578 -18.436 -23.604 1.00 0.00 C ATOM 351 C PHE A 22 18.044 -19.852 -23.929 1.00 0.00 C ATOM 352 O PHE A 22 18.808 -20.064 -24.872 1.00 0.00 O ATOM 353 CB PHE A 22 18.634 -17.720 -22.760 1.00 0.00 C ATOM 354 CG PHE A 22 18.250 -16.319 -22.380 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.653 -15.476 -23.303 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.486 -15.844 -21.100 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.298 -14.186 -22.957 1.00 0.00 C ATOM 358 CE2 PHE A 22 18.133 -14.556 -20.748 1.00 0.00 C ATOM 359 CZ PHE A 22 17.539 -13.725 -21.678 1.00 0.00 C ATOM 0 H PHE A 22 16.357 -18.222 -21.913 1.00 0.00 H new ATOM 0 HA PHE A 22 17.442 -17.894 -24.540 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.815 -18.297 -21.853 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.573 -17.693 -23.313 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.463 -15.831 -24.305 1.00 0.00 H new ATOM 0 HD2 PHE A 22 18.951 -16.488 -20.369 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.833 -13.539 -23.686 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.321 -14.199 -19.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.264 -12.717 -21.405 1.00 0.00 H new ATOM 369 N ILE A 23 17.579 -20.816 -23.143 1.00 0.00 N ATOM 370 CA ILE A 23 17.947 -22.212 -23.347 1.00 0.00 C ATOM 371 C ILE A 23 17.226 -22.800 -24.555 1.00 0.00 C ATOM 372 O ILE A 23 17.765 -23.655 -25.258 1.00 0.00 O ATOM 373 CB ILE A 23 17.626 -23.066 -22.106 1.00 0.00 C ATOM 374 CG1 ILE A 23 18.865 -23.200 -21.218 1.00 0.00 C ATOM 375 CG2 ILE A 23 17.117 -24.437 -22.524 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.188 -21.945 -20.438 1.00 0.00 C ATOM 0 H ILE A 23 16.947 -20.657 -22.359 1.00 0.00 H new ATOM 0 HA ILE A 23 19.022 -22.232 -23.524 1.00 0.00 H new ATOM 0 HB ILE A 23 16.843 -22.568 -21.533 1.00 0.00 H new ATOM 0 HG12 ILE A 23 18.714 -24.023 -20.520 1.00 0.00 H new ATOM 0 HG13 ILE A 23 19.721 -23.462 -21.840 1.00 0.00 H new ATOM 0 HG21 ILE A 23 16.895 -25.029 -21.636 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.212 -24.323 -23.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 17.880 -24.943 -23.116 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.078 -22.113 -19.831 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.371 -21.123 -21.130 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.349 -21.693 -19.790 1.00 0.00 H new ATOM 388 N VAL A 24 16.004 -22.335 -24.792 1.00 0.00 N ATOM 389 CA VAL A 24 15.209 -22.812 -25.917 1.00 0.00 C ATOM 390 C VAL A 24 15.649 -22.152 -27.219 1.00 0.00 C ATOM 391 O VAL A 24 15.731 -22.804 -28.261 1.00 0.00 O ATOM 392 CB VAL A 24 13.708 -22.542 -25.699 1.00 0.00 C ATOM 393 CG1 VAL A 24 12.939 -22.717 -26.999 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.155 -23.455 -24.615 1.00 0.00 C ATOM 0 H VAL A 24 15.543 -21.628 -24.220 1.00 0.00 H new ATOM 0 HA VAL A 24 15.370 -23.888 -25.985 1.00 0.00 H new ATOM 0 HB VAL A 24 13.586 -21.510 -25.370 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.881 -22.522 -26.825 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.319 -22.017 -27.744 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.065 -23.737 -27.362 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.094 -23.251 -24.474 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.288 -24.495 -24.913 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.687 -23.274 -23.681 1.00 0.00 H new ATOM 404 N LEU A 25 15.930 -20.856 -27.153 1.00 0.00 N ATOM 405 CA LEU A 25 16.363 -20.106 -28.328 1.00 0.00 C ATOM 406 C LEU A 25 17.609 -20.732 -28.945 1.00 0.00 C ATOM 407 O LEU A 25 17.791 -20.710 -30.163 1.00 0.00 O ATOM 408 CB LEU A 25 16.641 -18.650 -27.954 1.00 0.00 C ATOM 409 CG LEU A 25 15.413 -17.766 -27.735 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.831 -16.330 -27.457 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.488 -17.830 -28.942 1.00 0.00 C ATOM 0 H LEU A 25 15.866 -20.302 -26.299 1.00 0.00 H new ATOM 0 HA LEU A 25 15.561 -20.138 -29.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.239 -18.638 -27.043 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.249 -18.204 -28.741 1.00 0.00 H new ATOM 0 HG LEU A 25 14.871 -18.139 -26.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.944 -15.716 -27.304 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.453 -16.299 -26.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.397 -15.945 -28.305 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.619 -17.195 -28.769 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.021 -17.483 -29.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.161 -18.858 -29.096 1.00 0.00 H new ATOM 423 N LEU A 26 18.465 -21.292 -28.096 1.00 0.00 N ATOM 424 CA LEU A 26 19.695 -21.927 -28.558 1.00 0.00 C ATOM 425 C LEU A 26 19.394 -23.012 -29.587 1.00 0.00 C ATOM 426 O LEU A 26 20.060 -23.104 -30.619 1.00 0.00 O ATOM 427 CB LEU A 26 20.457 -22.528 -27.375 1.00 0.00 C ATOM 428 CG LEU A 26 21.665 -21.731 -26.881 1.00 0.00 C ATOM 429 CD1 LEU A 26 21.293 -20.272 -26.671 1.00 0.00 C ATOM 430 CD2 LEU A 26 22.212 -22.335 -25.596 1.00 0.00 C ATOM 0 H LEU A 26 18.330 -21.319 -27.085 1.00 0.00 H new ATOM 0 HA LEU A 26 20.313 -21.164 -29.031 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.762 -22.649 -26.544 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.795 -23.526 -27.655 1.00 0.00 H new ATOM 0 HG LEU A 26 22.444 -21.779 -27.642 1.00 0.00 H new ATOM 0 HD11 LEU A 26 22.165 -19.721 -26.319 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.949 -19.845 -27.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.497 -20.203 -25.930 1.00 0.00 H new ATOM 0 HD21 LEU A 26 23.071 -21.755 -25.259 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.439 -22.318 -24.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 22.518 -23.365 -25.780 1.00 0.00 H new ATOM 442 N ILE A 27 18.387 -23.830 -29.301 1.00 0.00 N ATOM 443 CA ILE A 27 17.996 -24.906 -30.203 1.00 0.00 C ATOM 444 C ILE A 27 17.358 -24.353 -31.473 1.00 0.00 C ATOM 445 O ILE A 27 17.765 -24.694 -32.584 1.00 0.00 O ATOM 446 CB ILE A 27 17.011 -25.877 -29.527 1.00 0.00 C ATOM 447 CG1 ILE A 27 17.771 -27.011 -28.836 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.033 -26.436 -30.550 1.00 0.00 C ATOM 449 CD1 ILE A 27 17.240 -27.343 -27.459 1.00 0.00 C ATOM 0 H ILE A 27 17.827 -23.768 -28.451 1.00 0.00 H new ATOM 0 HA ILE A 27 18.906 -25.447 -30.462 1.00 0.00 H new ATOM 0 HB ILE A 27 16.446 -25.330 -28.772 1.00 0.00 H new ATOM 0 HG12 ILE A 27 17.722 -27.903 -29.460 1.00 0.00 H new ATOM 0 HG13 ILE A 27 18.823 -26.736 -28.754 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.343 -27.121 -30.057 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.472 -25.618 -31.002 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.583 -26.970 -31.325 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.826 -28.155 -27.029 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.314 -26.464 -26.819 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.197 -27.649 -27.535 1.00 0.00 H new ATOM 461 N HIS A 28 16.356 -23.497 -31.301 1.00 0.00 N ATOM 462 CA HIS A 28 15.662 -22.894 -32.434 1.00 0.00 C ATOM 463 C HIS A 28 16.657 -22.310 -33.432 1.00 0.00 C ATOM 464 O HIS A 28 16.401 -22.282 -34.636 1.00 0.00 O ATOM 465 CB HIS A 28 14.706 -21.804 -31.952 1.00 0.00 C ATOM 466 CG HIS A 28 14.062 -21.036 -33.065 1.00 0.00 C ATOM 467 ND1 HIS A 28 14.695 -20.012 -33.737 1.00 0.00 N ATOM 468 CD2 HIS A 28 12.835 -21.150 -33.626 1.00 0.00 C ATOM 469 CE1 HIS A 28 13.884 -19.527 -34.661 1.00 0.00 C ATOM 470 NE2 HIS A 28 12.749 -20.201 -34.614 1.00 0.00 N ATOM 0 H HIS A 28 16.006 -23.205 -30.388 1.00 0.00 H new ATOM 0 HA HIS A 28 15.088 -23.674 -32.934 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.928 -22.260 -31.339 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.252 -21.111 -31.312 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.067 -21.856 -33.348 1.00 0.00 H new ATOM 0 HE1 HIS A 28 14.111 -18.717 -35.339 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.940 -20.042 -35.214 1.00 0.00 H new ATOM 478 N PHE A 29 17.793 -21.843 -32.924 1.00 0.00 N ATOM 479 CA PHE A 29 18.826 -21.258 -33.770 1.00 0.00 C ATOM 480 C PHE A 29 19.886 -22.294 -34.131 1.00 0.00 C ATOM 481 O PHE A 29 20.559 -22.178 -35.155 1.00 0.00 O ATOM 482 CB PHE A 29 19.480 -20.068 -33.064 1.00 0.00 C ATOM 483 CG PHE A 29 18.724 -18.781 -33.235 1.00 0.00 C ATOM 484 CD1 PHE A 29 18.534 -18.235 -34.494 1.00 0.00 C ATOM 485 CD2 PHE A 29 18.204 -18.117 -32.135 1.00 0.00 C ATOM 486 CE1 PHE A 29 17.839 -17.051 -34.654 1.00 0.00 C ATOM 487 CE2 PHE A 29 17.508 -16.933 -32.290 1.00 0.00 C ATOM 488 CZ PHE A 29 17.327 -16.399 -33.550 1.00 0.00 C ATOM 0 H PHE A 29 18.021 -21.859 -31.930 1.00 0.00 H new ATOM 0 HA PHE A 29 18.354 -20.912 -34.689 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.568 -20.290 -32.000 1.00 0.00 H new ATOM 0 HB3 PHE A 29 20.492 -19.939 -33.448 1.00 0.00 H new ATOM 0 HD1 PHE A 29 18.934 -18.740 -35.361 1.00 0.00 H new ATOM 0 HD2 PHE A 29 18.344 -18.529 -31.147 1.00 0.00 H new ATOM 0 HE1 PHE A 29 17.697 -16.637 -35.641 1.00 0.00 H new ATOM 0 HE2 PHE A 29 17.106 -16.426 -31.426 1.00 0.00 H new ATOM 0 HZ PHE A 29 16.786 -15.472 -33.672 1.00 0.00 H new ATOM 498 N GLU A 30 20.028 -23.307 -33.282 1.00 0.00 N ATOM 499 CA GLU A 30 21.007 -24.364 -33.511 1.00 0.00 C ATOM 500 C GLU A 30 20.555 -25.290 -34.636 1.00 0.00 C ATOM 501 O GLU A 30 21.239 -26.256 -34.972 1.00 0.00 O ATOM 502 CB GLU A 30 21.228 -25.171 -32.229 1.00 0.00 C ATOM 503 CG GLU A 30 22.394 -24.674 -31.391 1.00 0.00 C ATOM 504 CD GLU A 30 22.196 -24.925 -29.909 1.00 0.00 C ATOM 505 OE1 GLU A 30 21.203 -25.592 -29.549 1.00 0.00 O ATOM 506 OE2 GLU A 30 23.032 -24.455 -29.110 1.00 0.00 O ATOM 0 H GLU A 30 19.478 -23.418 -32.430 1.00 0.00 H new ATOM 0 HA GLU A 30 21.947 -23.896 -33.804 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.319 -25.138 -31.628 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.399 -26.215 -32.492 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.309 -25.167 -31.720 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.529 -23.606 -31.560 1.00 0.00 H new ATOM 513 N GLY A 31 19.397 -24.987 -35.215 1.00 0.00 N ATOM 514 CA GLY A 31 18.872 -25.801 -36.296 1.00 0.00 C ATOM 515 C GLY A 31 17.458 -26.276 -36.030 1.00 0.00 C ATOM 516 O GLY A 31 17.160 -27.464 -36.158 1.00 0.00 O ATOM 0 H GLY A 31 18.813 -24.192 -34.955 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.891 -25.226 -37.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.520 -26.665 -36.444 1.00 0.00 H new ATOM 520 N TRP A 32 16.584 -25.348 -35.658 1.00 0.00 N ATOM 521 CA TRP A 32 15.193 -25.679 -35.371 1.00 0.00 C ATOM 522 C TRP A 32 14.273 -24.515 -35.721 1.00 0.00 C ATOM 523 O TRP A 32 13.982 -23.667 -34.877 1.00 0.00 O ATOM 524 CB TRP A 32 15.028 -26.050 -33.896 1.00 0.00 C ATOM 525 CG TRP A 32 15.037 -27.528 -33.651 1.00 0.00 C ATOM 526 CD1 TRP A 32 13.952 -28.355 -33.587 1.00 0.00 C ATOM 527 CD2 TRP A 32 16.187 -28.354 -33.435 1.00 0.00 C ATOM 528 NE1 TRP A 32 14.357 -29.645 -33.344 1.00 0.00 N ATOM 529 CE2 TRP A 32 15.724 -29.672 -33.247 1.00 0.00 C ATOM 530 CE3 TRP A 32 17.561 -28.110 -33.384 1.00 0.00 C ATOM 531 CZ2 TRP A 32 16.588 -30.737 -33.012 1.00 0.00 C ATOM 532 CZ3 TRP A 32 18.418 -29.169 -33.149 1.00 0.00 C ATOM 533 CH2 TRP A 32 17.929 -30.470 -32.967 1.00 0.00 C ATOM 0 H TRP A 32 16.814 -24.360 -35.548 1.00 0.00 H new ATOM 0 HA TRP A 32 14.916 -26.535 -35.986 1.00 0.00 H new ATOM 0 HB2 TRP A 32 15.831 -25.589 -33.321 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.091 -25.633 -33.527 1.00 0.00 H new ATOM 0 HD1 TRP A 32 12.926 -28.041 -33.709 1.00 0.00 H new ATOM 0 HE1 TRP A 32 13.740 -30.452 -33.251 1.00 0.00 H new ATOM 0 HE3 TRP A 32 17.947 -27.111 -33.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 16.213 -31.740 -32.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 19.482 -28.991 -33.105 1.00 0.00 H new ATOM 0 HH2 TRP A 32 18.624 -31.277 -32.788 1.00 0.00 H new ATOM 726 N PHE B 110 17.741 -2.133 -15.482 1.00 0.00 N ATOM 727 CA PHE B 110 18.081 -3.327 -14.718 1.00 0.00 C ATOM 728 C PHE B 110 17.784 -4.590 -15.520 1.00 0.00 C ATOM 729 O PHE B 110 18.407 -5.631 -15.314 1.00 0.00 O ATOM 730 CB PHE B 110 17.306 -3.353 -13.399 1.00 0.00 C ATOM 731 CG PHE B 110 17.452 -4.642 -12.642 1.00 0.00 C ATOM 732 CD1 PHE B 110 16.609 -5.711 -12.900 1.00 0.00 C ATOM 733 CD2 PHE B 110 18.431 -4.785 -11.673 1.00 0.00 C ATOM 734 CE1 PHE B 110 16.740 -6.899 -12.206 1.00 0.00 C ATOM 735 CE2 PHE B 110 18.568 -5.970 -10.976 1.00 0.00 C ATOM 736 CZ PHE B 110 17.721 -7.028 -11.242 1.00 0.00 C ATOM 0 HA PHE B 110 19.149 -3.297 -14.503 1.00 0.00 H new ATOM 0 HB2 PHE B 110 17.648 -2.531 -12.770 1.00 0.00 H new ATOM 0 HB3 PHE B 110 16.250 -3.179 -13.604 1.00 0.00 H new ATOM 0 HD1 PHE B 110 15.840 -5.615 -13.652 1.00 0.00 H new ATOM 0 HD2 PHE B 110 19.095 -3.961 -11.460 1.00 0.00 H new ATOM 0 HE1 PHE B 110 16.077 -7.725 -12.417 1.00 0.00 H new ATOM 0 HE2 PHE B 110 19.337 -6.069 -10.224 1.00 0.00 H new ATOM 0 HZ PHE B 110 17.825 -7.955 -10.697 1.00 0.00 H new ATOM 746 N MET B 111 16.826 -4.490 -16.436 1.00 0.00 N ATOM 747 CA MET B 111 16.446 -5.624 -17.271 1.00 0.00 C ATOM 748 C MET B 111 17.532 -5.933 -18.297 1.00 0.00 C ATOM 749 O MET B 111 18.042 -7.052 -18.356 1.00 0.00 O ATOM 750 CB MET B 111 15.122 -5.339 -17.983 1.00 0.00 C ATOM 751 CG MET B 111 13.901 -5.802 -17.205 1.00 0.00 C ATOM 752 SD MET B 111 13.727 -4.960 -15.620 1.00 0.00 S ATOM 753 CE MET B 111 11.948 -4.769 -15.532 1.00 0.00 C ATOM 0 H MET B 111 16.299 -3.636 -16.619 1.00 0.00 H new ATOM 0 HA MET B 111 16.324 -6.493 -16.625 1.00 0.00 H new ATOM 0 HB2 MET B 111 15.041 -4.268 -18.166 1.00 0.00 H new ATOM 0 HB3 MET B 111 15.130 -5.829 -18.956 1.00 0.00 H new ATOM 0 HG2 MET B 111 13.007 -5.630 -17.804 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.969 -6.877 -17.036 1.00 0.00 H new ATOM 0 HE1 MET B 111 11.682 -4.263 -14.604 1.00 0.00 H new ATOM 0 HE2 MET B 111 11.603 -4.177 -16.380 1.00 0.00 H new ATOM 0 HE3 MET B 111 11.475 -5.751 -15.558 1.00 0.00 H new ATOM 763 N ILE B 112 17.880 -4.935 -19.102 1.00 0.00 N ATOM 764 CA ILE B 112 18.906 -5.101 -20.124 1.00 0.00 C ATOM 765 C ILE B 112 20.177 -5.701 -19.534 1.00 0.00 C ATOM 766 O ILE B 112 20.636 -6.757 -19.967 1.00 0.00 O ATOM 767 CB ILE B 112 19.250 -3.760 -20.799 1.00 0.00 C ATOM 768 CG1 ILE B 112 18.040 -3.226 -21.569 1.00 0.00 C ATOM 769 CG2 ILE B 112 20.444 -3.926 -21.728 1.00 0.00 C ATOM 770 CD1 ILE B 112 17.519 -1.909 -21.038 1.00 0.00 C ATOM 0 H ILE B 112 17.467 -4.003 -19.066 1.00 0.00 H new ATOM 0 HA ILE B 112 18.499 -5.781 -20.872 1.00 0.00 H new ATOM 0 HB ILE B 112 19.513 -3.038 -20.026 1.00 0.00 H new ATOM 0 HG12 ILE B 112 18.312 -3.104 -22.617 1.00 0.00 H new ATOM 0 HG13 ILE B 112 17.240 -3.966 -21.531 1.00 0.00 H new ATOM 0 HG21 ILE B 112 20.675 -2.970 -22.198 1.00 0.00 H new ATOM 0 HG22 ILE B 112 21.306 -4.267 -21.155 1.00 0.00 H new ATOM 0 HG23 ILE B 112 20.207 -4.660 -22.498 1.00 0.00 H new ATOM 0 HD11 ILE B 112 16.662 -1.591 -21.631 1.00 0.00 H new ATOM 0 HD12 ILE B 112 17.216 -2.030 -19.998 1.00 0.00 H new ATOM 0 HD13 ILE B 112 18.304 -1.155 -21.101 1.00 0.00 H new ATOM 782 N ASN B 113 20.741 -5.021 -18.541 1.00 0.00 N ATOM 783 CA ASN B 113 21.959 -5.488 -17.890 1.00 0.00 C ATOM 784 C ASN B 113 21.817 -6.941 -17.447 1.00 0.00 C ATOM 785 O ASN B 113 22.605 -7.802 -17.840 1.00 0.00 O ATOM 786 CB ASN B 113 22.288 -4.606 -16.684 1.00 0.00 C ATOM 787 CG ASN B 113 22.970 -3.311 -17.083 1.00 0.00 C ATOM 788 OD1 ASN B 113 22.359 -2.243 -17.064 1.00 0.00 O ATOM 789 ND2 ASN B 113 24.244 -3.402 -17.449 1.00 0.00 N ATOM 0 H ASN B 113 20.374 -4.145 -18.170 1.00 0.00 H new ATOM 0 HA ASN B 113 22.773 -5.425 -18.612 1.00 0.00 H new ATOM 0 HB2 ASN B 113 21.370 -4.378 -16.143 1.00 0.00 H new ATOM 0 HB3 ASN B 113 22.933 -5.157 -16.000 1.00 0.00 H new ATOM 0 HD21 ASN B 113 24.755 -2.565 -17.729 1.00 0.00 H new ATOM 0 HD22 ASN B 113 24.711 -4.309 -17.450 1.00 0.00 H new ATOM 796 N THR B 114 20.806 -7.208 -16.626 1.00 0.00 N ATOM 797 CA THR B 114 20.559 -8.555 -16.130 1.00 0.00 C ATOM 798 C THR B 114 20.391 -9.543 -17.278 1.00 0.00 C ATOM 799 O THR B 114 20.690 -10.729 -17.139 1.00 0.00 O ATOM 800 CB THR B 114 19.305 -8.605 -15.237 1.00 0.00 C ATOM 801 OG1 THR B 114 19.455 -7.708 -14.131 1.00 0.00 O ATOM 802 CG2 THR B 114 19.062 -10.016 -14.723 1.00 0.00 C ATOM 0 H THR B 114 20.145 -6.508 -16.291 1.00 0.00 H new ATOM 0 HA THR B 114 21.429 -8.836 -15.537 1.00 0.00 H new ATOM 0 HB THR B 114 18.447 -8.301 -15.837 1.00 0.00 H new ATOM 0 HG1 THR B 114 19.227 -6.798 -14.415 1.00 0.00 H new ATOM 0 HG21 THR B 114 18.171 -10.026 -14.095 1.00 0.00 H new ATOM 0 HG22 THR B 114 18.919 -10.691 -15.567 1.00 0.00 H new ATOM 0 HG23 THR B 114 19.922 -10.343 -14.139 1.00 0.00 H new ATOM 810 N SER B 115 19.910 -9.046 -18.414 1.00 0.00 N ATOM 811 CA SER B 115 19.699 -9.886 -19.587 1.00 0.00 C ATOM 812 C SER B 115 21.031 -10.321 -20.191 1.00 0.00 C ATOM 813 O SER B 115 21.347 -11.510 -20.233 1.00 0.00 O ATOM 814 CB SER B 115 18.871 -9.138 -20.634 1.00 0.00 C ATOM 815 OG SER B 115 18.119 -10.039 -21.428 1.00 0.00 O ATOM 0 H SER B 115 19.659 -8.066 -18.546 1.00 0.00 H new ATOM 0 HA SER B 115 19.155 -10.776 -19.272 1.00 0.00 H new ATOM 0 HB2 SER B 115 18.199 -8.437 -20.138 1.00 0.00 H new ATOM 0 HB3 SER B 115 19.531 -8.550 -21.272 1.00 0.00 H new ATOM 0 HG SER B 115 17.597 -9.536 -22.088 1.00 0.00 H new ATOM 821 N ILE B 116 21.807 -9.348 -20.658 1.00 0.00 N ATOM 822 CA ILE B 116 23.105 -9.629 -21.259 1.00 0.00 C ATOM 823 C ILE B 116 23.935 -10.548 -20.370 1.00 0.00 C ATOM 824 O ILE B 116 24.762 -11.320 -20.857 1.00 0.00 O ATOM 825 CB ILE B 116 23.896 -8.333 -21.520 1.00 0.00 C ATOM 826 CG1 ILE B 116 23.118 -7.416 -22.465 1.00 0.00 C ATOM 827 CG2 ILE B 116 25.266 -8.657 -22.096 1.00 0.00 C ATOM 828 CD1 ILE B 116 23.488 -5.956 -22.331 1.00 0.00 C ATOM 0 H ILE B 116 21.559 -8.359 -20.632 1.00 0.00 H new ATOM 0 HA ILE B 116 22.912 -10.125 -22.210 1.00 0.00 H new ATOM 0 HB ILE B 116 24.035 -7.812 -20.573 1.00 0.00 H new ATOM 0 HG12 ILE B 116 23.293 -7.734 -23.493 1.00 0.00 H new ATOM 0 HG13 ILE B 116 22.051 -7.531 -22.273 1.00 0.00 H new ATOM 0 HG21 ILE B 116 25.813 -7.732 -22.275 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.820 -9.276 -21.390 1.00 0.00 H new ATOM 0 HG23 ILE B 116 25.147 -9.196 -23.036 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.897 -5.365 -23.031 1.00 0.00 H new ATOM 0 HD12 ILE B 116 23.286 -5.621 -21.313 1.00 0.00 H new ATOM 0 HD13 ILE B 116 24.548 -5.827 -22.552 1.00 0.00 H new ATOM 840 N LEU B 117 23.708 -10.462 -19.064 1.00 0.00 N ATOM 841 CA LEU B 117 24.434 -11.287 -18.105 1.00 0.00 C ATOM 842 C LEU B 117 23.798 -12.669 -17.985 1.00 0.00 C ATOM 843 O LEU B 117 24.445 -13.686 -18.237 1.00 0.00 O ATOM 844 CB LEU B 117 24.464 -10.606 -16.735 1.00 0.00 C ATOM 845 CG LEU B 117 25.851 -10.332 -16.153 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.740 -9.519 -14.872 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.589 -11.637 -15.896 1.00 0.00 C ATOM 0 H LEU B 117 23.027 -9.829 -18.645 1.00 0.00 H new ATOM 0 HA LEU B 117 25.455 -11.407 -18.466 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.930 -9.659 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.912 -11.228 -16.030 1.00 0.00 H new ATOM 0 HG LEU B 117 26.421 -9.753 -16.879 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.737 -9.333 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU B 117 25.252 -8.568 -15.086 1.00 0.00 H new ATOM 0 HD13 LEU B 117 25.152 -10.072 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.574 -11.422 -15.482 1.00 0.00 H new ATOM 0 HD22 LEU B 117 26.022 -12.242 -15.189 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.700 -12.183 -16.833 1.00 0.00 H new ATOM 859 N LEU B 118 22.527 -12.697 -17.600 1.00 0.00 N ATOM 860 CA LEU B 118 21.801 -13.954 -17.449 1.00 0.00 C ATOM 861 C LEU B 118 21.941 -14.817 -18.699 1.00 0.00 C ATOM 862 O LEU B 118 22.085 -16.037 -18.610 1.00 0.00 O ATOM 863 CB LEU B 118 20.323 -13.682 -17.166 1.00 0.00 C ATOM 864 CG LEU B 118 19.973 -13.309 -15.725 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.473 -13.411 -15.497 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.725 -14.200 -14.747 1.00 0.00 C ATOM 0 H LEU B 118 21.978 -11.864 -17.387 1.00 0.00 H new ATOM 0 HA LEU B 118 22.232 -14.495 -16.606 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.991 -12.875 -17.820 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.752 -14.569 -17.439 1.00 0.00 H new ATOM 0 HG LEU B 118 20.276 -12.276 -15.552 1.00 0.00 H new ATOM 0 HD11 LEU B 118 18.243 -13.142 -14.466 1.00 0.00 H new ATOM 0 HD12 LEU B 118 17.955 -12.731 -16.174 1.00 0.00 H new ATOM 0 HD13 LEU B 118 18.145 -14.433 -15.687 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.464 -13.921 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.452 -15.241 -14.920 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.798 -14.077 -14.894 1.00 0.00 H new ATOM 878 N ILE B 119 21.900 -14.176 -19.862 1.00 0.00 N ATOM 879 CA ILE B 119 22.025 -14.885 -21.129 1.00 0.00 C ATOM 880 C ILE B 119 23.342 -15.652 -21.203 1.00 0.00 C ATOM 881 O ILE B 119 23.355 -16.882 -21.234 1.00 0.00 O ATOM 882 CB ILE B 119 21.939 -13.919 -22.326 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.563 -13.252 -22.373 1.00 0.00 C ATOM 884 CG2 ILE B 119 22.220 -14.659 -23.625 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.573 -11.894 -23.038 1.00 0.00 C ATOM 0 H ILE B 119 21.781 -13.167 -19.953 1.00 0.00 H new ATOM 0 HA ILE B 119 21.194 -15.589 -21.180 1.00 0.00 H new ATOM 0 HB ILE B 119 22.694 -13.143 -22.203 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.870 -13.903 -22.906 1.00 0.00 H new ATOM 0 HG13 ILE B 119 20.184 -13.147 -21.356 1.00 0.00 H new ATOM 0 HG21 ILE B 119 22.156 -13.963 -24.461 1.00 0.00 H new ATOM 0 HG22 ILE B 119 23.220 -15.091 -23.589 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.486 -15.454 -23.757 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.565 -11.480 -23.036 1.00 0.00 H new ATOM 0 HD12 ILE B 119 21.240 -11.227 -22.492 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.922 -11.995 -24.066 1.00 0.00 H new ATOM 897 N PHE B 120 24.448 -14.916 -21.228 1.00 0.00 N ATOM 898 CA PHE B 120 25.770 -15.526 -21.297 1.00 0.00 C ATOM 899 C PHE B 120 26.008 -16.445 -20.102 1.00 0.00 C ATOM 900 O PHE B 120 26.803 -17.383 -20.175 1.00 0.00 O ATOM 901 CB PHE B 120 26.852 -14.445 -21.346 1.00 0.00 C ATOM 902 CG PHE B 120 28.199 -14.963 -21.762 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.463 -15.258 -23.090 1.00 0.00 C ATOM 904 CD2 PHE B 120 29.201 -15.157 -20.825 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.702 -15.734 -23.476 1.00 0.00 C ATOM 906 CE2 PHE B 120 30.442 -15.633 -21.205 1.00 0.00 C ATOM 907 CZ PHE B 120 30.692 -15.923 -22.532 1.00 0.00 C ATOM 0 H PHE B 120 24.455 -13.896 -21.201 1.00 0.00 H new ATOM 0 HA PHE B 120 25.820 -16.122 -22.208 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.542 -13.663 -22.040 1.00 0.00 H new ATOM 0 HB3 PHE B 120 26.937 -13.983 -20.363 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.692 -15.114 -23.832 1.00 0.00 H new ATOM 0 HD2 PHE B 120 29.010 -14.934 -19.786 1.00 0.00 H new ATOM 0 HE1 PHE B 120 29.896 -15.958 -24.515 1.00 0.00 H new ATOM 0 HE2 PHE B 120 31.215 -15.778 -20.465 1.00 0.00 H new ATOM 0 HZ PHE B 120 31.660 -16.297 -22.831 1.00 0.00 H new ATOM 917 N ILE B 121 25.314 -16.168 -19.003 1.00 0.00 N ATOM 918 CA ILE B 121 25.449 -16.969 -17.793 1.00 0.00 C ATOM 919 C ILE B 121 24.816 -18.345 -17.971 1.00 0.00 C ATOM 920 O ILE B 121 25.439 -19.368 -17.687 1.00 0.00 O ATOM 921 CB ILE B 121 24.802 -16.272 -16.582 1.00 0.00 C ATOM 922 CG1 ILE B 121 25.816 -15.357 -15.891 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.260 -17.304 -15.604 1.00 0.00 C ATOM 924 CD1 ILE B 121 25.197 -14.436 -14.863 1.00 0.00 C ATOM 0 H ILE B 121 24.653 -15.395 -18.926 1.00 0.00 H new ATOM 0 HA ILE B 121 26.517 -17.084 -17.608 1.00 0.00 H new ATOM 0 HB ILE B 121 23.970 -15.662 -16.934 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.576 -15.970 -15.407 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.325 -14.757 -16.645 1.00 0.00 H new ATOM 0 HG21 ILE B 121 23.806 -16.796 -14.753 1.00 0.00 H new ATOM 0 HG22 ILE B 121 23.510 -17.919 -16.102 1.00 0.00 H new ATOM 0 HG23 ILE B 121 25.075 -17.938 -15.255 1.00 0.00 H new ATOM 0 HD11 ILE B 121 25.974 -13.817 -14.414 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.458 -13.797 -15.346 1.00 0.00 H new ATOM 0 HD13 ILE B 121 24.713 -15.029 -14.088 1.00 0.00 H new ATOM 936 N PHE B 122 23.575 -18.362 -18.446 1.00 0.00 N ATOM 937 CA PHE B 122 22.857 -19.613 -18.663 1.00 0.00 C ATOM 938 C PHE B 122 23.362 -20.318 -19.919 1.00 0.00 C ATOM 939 O PHE B 122 23.252 -21.538 -20.044 1.00 0.00 O ATOM 940 CB PHE B 122 21.355 -19.349 -18.782 1.00 0.00 C ATOM 941 CG PHE B 122 20.772 -18.655 -17.584 1.00 0.00 C ATOM 942 CD1 PHE B 122 21.145 -19.026 -16.302 1.00 0.00 C ATOM 943 CD2 PHE B 122 19.850 -17.633 -17.740 1.00 0.00 C ATOM 944 CE1 PHE B 122 20.610 -18.390 -15.198 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.312 -16.993 -16.639 1.00 0.00 C ATOM 946 CZ PHE B 122 19.692 -17.372 -15.367 1.00 0.00 C ATOM 0 H PHE B 122 23.046 -17.524 -18.688 1.00 0.00 H new ATOM 0 HA PHE B 122 23.038 -20.261 -17.806 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.170 -18.743 -19.669 1.00 0.00 H new ATOM 0 HB3 PHE B 122 20.838 -20.297 -18.930 1.00 0.00 H new ATOM 0 HD1 PHE B 122 21.862 -19.822 -16.164 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.548 -17.333 -18.733 1.00 0.00 H new ATOM 0 HE1 PHE B 122 20.909 -18.689 -14.204 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.595 -16.197 -16.774 1.00 0.00 H new ATOM 0 HZ PHE B 122 19.272 -16.873 -14.506 1.00 0.00 H new ATOM 956 N ILE B 123 23.914 -19.541 -20.845 1.00 0.00 N ATOM 957 CA ILE B 123 24.436 -20.091 -22.090 1.00 0.00 C ATOM 958 C ILE B 123 25.781 -20.773 -21.869 1.00 0.00 C ATOM 959 O ILE B 123 26.118 -21.742 -22.550 1.00 0.00 O ATOM 960 CB ILE B 123 24.597 -18.999 -23.164 1.00 0.00 C ATOM 961 CG1 ILE B 123 23.351 -18.934 -24.049 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.837 -19.262 -24.004 1.00 0.00 C ATOM 963 CD1 ILE B 123 22.193 -18.199 -23.409 1.00 0.00 C ATOM 0 H ILE B 123 24.011 -18.529 -20.757 1.00 0.00 H new ATOM 0 HA ILE B 123 23.711 -20.827 -22.438 1.00 0.00 H new ATOM 0 HB ILE B 123 24.716 -18.036 -22.667 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.607 -18.444 -24.988 1.00 0.00 H new ATOM 0 HG13 ILE B 123 23.036 -19.948 -24.294 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.937 -18.482 -24.759 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.718 -19.262 -23.362 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.746 -20.231 -24.494 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.344 -18.192 -24.093 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.910 -18.701 -22.484 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.490 -17.174 -23.189 1.00 0.00 H new ATOM 975 N VAL B 124 26.547 -20.263 -20.909 1.00 0.00 N ATOM 976 CA VAL B 124 27.855 -20.824 -20.595 1.00 0.00 C ATOM 977 C VAL B 124 27.723 -22.081 -19.743 1.00 0.00 C ATOM 978 O VAL B 124 28.455 -23.054 -19.934 1.00 0.00 O ATOM 979 CB VAL B 124 28.740 -19.805 -19.853 1.00 0.00 C ATOM 980 CG1 VAL B 124 29.903 -20.506 -19.168 1.00 0.00 C ATOM 981 CG2 VAL B 124 29.242 -18.737 -20.814 1.00 0.00 C ATOM 0 H VAL B 124 26.283 -19.462 -20.335 1.00 0.00 H new ATOM 0 HA VAL B 124 28.326 -21.079 -21.544 1.00 0.00 H new ATOM 0 HB VAL B 124 28.138 -19.318 -19.086 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.517 -19.770 -18.649 1.00 0.00 H new ATOM 0 HG12 VAL B 124 29.519 -21.230 -18.449 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.508 -21.021 -19.914 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.866 -18.025 -20.273 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.828 -19.205 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL B 124 28.392 -18.214 -21.253 1.00 0.00 H new ATOM 991 N LEU B 125 26.786 -22.055 -18.802 1.00 0.00 N ATOM 992 CA LEU B 125 26.557 -23.194 -17.919 1.00 0.00 C ATOM 993 C LEU B 125 26.211 -24.444 -18.721 1.00 0.00 C ATOM 994 O LEU B 125 26.588 -25.557 -18.351 1.00 0.00 O ATOM 995 CB LEU B 125 25.432 -22.880 -16.931 1.00 0.00 C ATOM 996 CG LEU B 125 25.797 -21.954 -15.771 1.00 0.00 C ATOM 997 CD1 LEU B 125 24.615 -21.788 -14.828 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.008 -22.489 -15.021 1.00 0.00 C ATOM 0 H LEU B 125 26.173 -21.258 -18.630 1.00 0.00 H new ATOM 0 HA LEU B 125 27.476 -23.384 -17.365 1.00 0.00 H new ATOM 0 HB2 LEU B 125 24.606 -22.431 -17.482 1.00 0.00 H new ATOM 0 HB3 LEU B 125 25.065 -23.820 -16.518 1.00 0.00 H new ATOM 0 HG LEU B 125 26.051 -20.976 -16.179 1.00 0.00 H new ATOM 0 HD11 LEU B 125 24.894 -21.126 -14.008 1.00 0.00 H new ATOM 0 HD12 LEU B 125 23.773 -21.359 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU B 125 24.330 -22.761 -14.427 1.00 0.00 H new ATOM 0 HD21 LEU B 125 27.253 -21.817 -14.199 1.00 0.00 H new ATOM 0 HD22 LEU B 125 26.783 -23.479 -14.625 1.00 0.00 H new ATOM 0 HD23 LEU B 125 27.857 -22.555 -15.701 1.00 0.00 H new ATOM 1010 N LEU B 126 25.492 -24.254 -19.822 1.00 0.00 N ATOM 1011 CA LEU B 126 25.096 -25.366 -20.679 1.00 0.00 C ATOM 1012 C LEU B 126 26.313 -26.175 -21.118 1.00 0.00 C ATOM 1013 O LEU B 126 26.294 -27.406 -21.092 1.00 0.00 O ATOM 1014 CB LEU B 126 24.344 -24.847 -21.907 1.00 0.00 C ATOM 1015 CG LEU B 126 22.824 -25.006 -21.879 1.00 0.00 C ATOM 1016 CD1 LEU B 126 22.261 -24.527 -20.549 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.187 -24.248 -23.034 1.00 0.00 C ATOM 0 H LEU B 126 25.171 -23.340 -20.142 1.00 0.00 H new ATOM 0 HA LEU B 126 24.437 -26.018 -20.106 1.00 0.00 H new ATOM 0 HB2 LEU B 126 24.576 -23.789 -22.030 1.00 0.00 H new ATOM 0 HB3 LEU B 126 24.727 -25.363 -22.788 1.00 0.00 H new ATOM 0 HG LEU B 126 22.587 -26.064 -21.990 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.178 -24.648 -20.548 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.693 -25.114 -19.739 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.509 -23.475 -20.407 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.105 -24.373 -22.998 1.00 0.00 H new ATOM 0 HD22 LEU B 126 22.433 -23.189 -22.954 1.00 0.00 H new ATOM 0 HD23 LEU B 126 22.566 -24.638 -23.978 1.00 0.00 H new ATOM 1029 N ILE B 127 27.369 -25.475 -21.519 1.00 0.00 N ATOM 1030 CA ILE B 127 28.595 -26.128 -21.960 1.00 0.00 C ATOM 1031 C ILE B 127 29.311 -26.798 -20.793 1.00 0.00 C ATOM 1032 O ILE B 127 29.640 -27.984 -20.850 1.00 0.00 O ATOM 1033 CB ILE B 127 29.555 -25.129 -22.632 1.00 0.00 C ATOM 1034 CG1 ILE B 127 29.288 -25.064 -24.137 1.00 0.00 C ATOM 1035 CG2 ILE B 127 31.000 -25.519 -22.361 1.00 0.00 C ATOM 1036 CD1 ILE B 127 29.278 -23.656 -24.690 1.00 0.00 C ATOM 0 H ILE B 127 27.400 -24.456 -21.547 1.00 0.00 H new ATOM 0 HA ILE B 127 28.305 -26.885 -22.688 1.00 0.00 H new ATOM 0 HB ILE B 127 29.381 -24.140 -22.209 1.00 0.00 H new ATOM 0 HG12 ILE B 127 30.049 -25.645 -24.658 1.00 0.00 H new ATOM 0 HG13 ILE B 127 28.328 -25.535 -24.348 1.00 0.00 H new ATOM 0 HG21 ILE B 127 31.666 -24.803 -22.843 1.00 0.00 H new ATOM 0 HG22 ILE B 127 31.182 -25.518 -21.286 1.00 0.00 H new ATOM 0 HG23 ILE B 127 31.189 -26.516 -22.760 1.00 0.00 H new ATOM 0 HD11 ILE B 127 29.083 -23.687 -25.762 1.00 0.00 H new ATOM 0 HD12 ILE B 127 28.498 -23.077 -24.196 1.00 0.00 H new ATOM 0 HD13 ILE B 127 30.246 -23.188 -24.511 1.00 0.00 H new ATOM 1048 N HIS B 128 29.550 -26.031 -19.733 1.00 0.00 N ATOM 1049 CA HIS B 128 30.225 -26.552 -18.550 1.00 0.00 C ATOM 1050 C HIS B 128 29.593 -27.863 -18.095 1.00 0.00 C ATOM 1051 O HIS B 128 30.271 -28.736 -17.553 1.00 0.00 O ATOM 1052 CB HIS B 128 30.174 -25.527 -17.416 1.00 0.00 C ATOM 1053 CG HIS B 128 30.737 -26.035 -16.124 1.00 0.00 C ATOM 1054 ND1 HIS B 128 30.023 -26.833 -15.255 1.00 0.00 N ATOM 1055 CD2 HIS B 128 31.952 -25.856 -15.557 1.00 0.00 C ATOM 1056 CE1 HIS B 128 30.775 -27.121 -14.208 1.00 0.00 C ATOM 1057 NE2 HIS B 128 31.951 -26.540 -14.366 1.00 0.00 N ATOM 0 H HIS B 128 29.286 -25.048 -19.670 1.00 0.00 H new ATOM 0 HA HIS B 128 31.266 -26.744 -18.811 1.00 0.00 H new ATOM 0 HB2 HIS B 128 30.725 -24.636 -17.718 1.00 0.00 H new ATOM 0 HB3 HIS B 128 29.139 -25.224 -17.258 1.00 0.00 H new ATOM 0 HD2 HIS B 128 32.771 -25.282 -15.965 1.00 0.00 H new ATOM 0 HE1 HIS B 128 30.479 -27.728 -13.366 1.00 0.00 H new ATOM 0 HE2 HIS B 128 32.731 -26.591 -13.711 1.00 0.00 H new ATOM 1065 N PHE B 129 28.289 -27.995 -18.319 1.00 0.00 N ATOM 1066 CA PHE B 129 27.564 -29.199 -17.931 1.00 0.00 C ATOM 1067 C PHE B 129 27.460 -30.172 -19.102 1.00 0.00 C ATOM 1068 O PHE B 129 27.326 -31.380 -18.908 1.00 0.00 O ATOM 1069 CB PHE B 129 26.166 -28.838 -17.427 1.00 0.00 C ATOM 1070 CG PHE B 129 26.135 -28.439 -15.979 1.00 0.00 C ATOM 1071 CD1 PHE B 129 26.512 -29.335 -14.992 1.00 0.00 C ATOM 1072 CD2 PHE B 129 25.728 -27.168 -15.605 1.00 0.00 C ATOM 1073 CE1 PHE B 129 26.485 -28.971 -13.658 1.00 0.00 C ATOM 1074 CE2 PHE B 129 25.700 -26.798 -14.274 1.00 0.00 C ATOM 1075 CZ PHE B 129 26.077 -27.701 -13.299 1.00 0.00 C ATOM 0 H PHE B 129 27.713 -27.282 -18.767 1.00 0.00 H new ATOM 0 HA PHE B 129 28.118 -29.684 -17.127 1.00 0.00 H new ATOM 0 HB2 PHE B 129 25.771 -28.020 -18.030 1.00 0.00 H new ATOM 0 HB3 PHE B 129 25.504 -29.691 -17.575 1.00 0.00 H new ATOM 0 HD1 PHE B 129 26.831 -30.329 -15.267 1.00 0.00 H new ATOM 0 HD2 PHE B 129 25.429 -26.459 -16.363 1.00 0.00 H new ATOM 0 HE1 PHE B 129 26.782 -29.679 -12.898 1.00 0.00 H new ATOM 0 HE2 PHE B 129 25.384 -25.803 -13.996 1.00 0.00 H new ATOM 0 HZ PHE B 129 26.053 -27.415 -12.258 1.00 0.00 H new ATOM 1085 N GLU B 130 27.521 -29.636 -20.316 1.00 0.00 N ATOM 1086 CA GLU B 130 27.431 -30.456 -21.518 1.00 0.00 C ATOM 1087 C GLU B 130 28.715 -31.254 -21.729 1.00 0.00 C ATOM 1088 O GLU B 130 28.843 -31.999 -22.699 1.00 0.00 O ATOM 1089 CB GLU B 130 27.156 -29.580 -22.742 1.00 0.00 C ATOM 1090 CG GLU B 130 25.680 -29.445 -23.075 1.00 0.00 C ATOM 1091 CD GLU B 130 25.348 -28.117 -23.726 1.00 0.00 C ATOM 1092 OE1 GLU B 130 26.288 -27.351 -24.024 1.00 0.00 O ATOM 1093 OE2 GLU B 130 24.148 -27.843 -23.938 1.00 0.00 O ATOM 0 H GLU B 130 27.632 -28.638 -20.494 1.00 0.00 H new ATOM 0 HA GLU B 130 26.605 -31.155 -21.388 1.00 0.00 H new ATOM 0 HB2 GLU B 130 27.573 -28.588 -22.569 1.00 0.00 H new ATOM 0 HB3 GLU B 130 27.677 -29.999 -23.603 1.00 0.00 H new ATOM 0 HG2 GLU B 130 25.386 -30.256 -23.742 1.00 0.00 H new ATOM 0 HG3 GLU B 130 25.094 -29.555 -22.162 1.00 0.00 H new ATOM 1100 N GLY B 131 29.663 -31.092 -20.811 1.00 0.00 N ATOM 1101 CA GLY B 131 30.924 -31.802 -20.914 1.00 0.00 C ATOM 1102 C GLY B 131 32.120 -30.872 -20.860 1.00 0.00 C ATOM 1103 O GLY B 131 33.007 -30.940 -21.711 1.00 0.00 O ATOM 0 H GLY B 131 29.580 -30.482 -19.998 1.00 0.00 H new ATOM 0 HA2 GLY B 131 30.996 -32.528 -20.104 1.00 0.00 H new ATOM 0 HA3 GLY B 131 30.946 -32.363 -21.848 1.00 0.00 H new ATOM 1107 N TRP B 132 32.144 -30.001 -19.858 1.00 0.00 N ATOM 1108 CA TRP B 132 33.240 -29.051 -19.697 1.00 0.00 C ATOM 1109 C TRP B 132 33.470 -28.731 -18.224 1.00 0.00 C ATOM 1110 O TRP B 132 32.913 -27.770 -17.694 1.00 0.00 O ATOM 1111 CB TRP B 132 32.945 -27.766 -20.471 1.00 0.00 C ATOM 1112 CG TRP B 132 33.574 -27.734 -21.831 1.00 0.00 C ATOM 1113 CD1 TRP B 132 34.789 -27.204 -22.160 1.00 0.00 C ATOM 1114 CD2 TRP B 132 33.019 -28.253 -23.045 1.00 0.00 C ATOM 1115 NE1 TRP B 132 35.022 -27.362 -23.505 1.00 0.00 N ATOM 1116 CE2 TRP B 132 33.952 -28.003 -24.070 1.00 0.00 C ATOM 1117 CE3 TRP B 132 31.825 -28.905 -23.365 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 33.726 -28.383 -25.391 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 31.602 -29.281 -24.675 1.00 0.00 C ATOM 1120 CH2 TRP B 132 32.548 -29.020 -25.675 1.00 0.00 C ATOM 0 H TRP B 132 31.418 -29.932 -19.145 1.00 0.00 H new ATOM 0 HA TRP B 132 34.146 -29.507 -20.096 1.00 0.00 H new ATOM 0 HB2 TRP B 132 31.866 -27.653 -20.575 1.00 0.00 H new ATOM 0 HB3 TRP B 132 33.301 -26.913 -19.894 1.00 0.00 H new ATOM 0 HD1 TRP B 132 35.467 -26.730 -21.465 1.00 0.00 H new ATOM 0 HE1 TRP B 132 35.857 -27.052 -24.002 1.00 0.00 H new ATOM 0 HE3 TRP B 132 31.090 -29.111 -22.601 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 34.454 -28.182 -26.163 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 30.682 -29.785 -24.933 1.00 0.00 H new ATOM 0 HH2 TRP B 132 32.344 -29.327 -26.690 1.00 0.00 H new