USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 30 GLN : amide:sc= -2.01! K(o=-2!,f=-2.8) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 36 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.8!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0639 F(o=-0.74,f=-0.064) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -6.24! C(o=-6.2!,f=-12!) USER MOD Single : A 68 SER OG : rot -72:sc= -0.585 USER MOD Single : A 71 ASN : amide:sc= 0.103 X(o=0.1,f=-0.21) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 82 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.617 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 100 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.46) USER MOD Single : A 105 THR OG1 : rot -16:sc= 0.0178 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.539 4.491 -16.700 1.00 71.02 N ATOM 115 CA GLN A 30 -9.075 5.711 -17.292 1.00 73.12 C ATOM 116 C GLN A 30 -10.451 6.035 -16.719 1.00 71.23 C ATOM 117 O GLN A 30 -11.217 6.797 -17.309 1.00 2.41 O ATOM 118 CB GLN A 30 -9.163 5.569 -18.813 1.00 34.03 C ATOM 119 CG GLN A 30 -7.924 4.950 -19.439 1.00 11.12 C ATOM 120 CD GLN A 30 -7.859 5.164 -20.938 1.00 72.33 C ATOM 121 OE1 GLN A 30 -8.801 5.673 -21.546 1.00 34.12 O ATOM 122 NE2 GLN A 30 -6.743 4.775 -21.544 1.00 74.21 N ATOM 0 HA GLN A 30 -8.398 6.530 -17.049 1.00 73.12 H new ATOM 0 HB2 GLN A 30 -10.030 4.958 -19.063 1.00 34.03 H new ATOM 0 HB3 GLN A 30 -9.329 6.553 -19.252 1.00 34.03 H new ATOM 0 HG2 GLN A 30 -7.035 5.378 -18.976 1.00 11.12 H new ATOM 0 HG3 GLN A 30 -7.910 3.881 -19.227 1.00 11.12 H new ATOM 0 HE21 GLN A 30 -5.987 4.358 -21.001 1.00 74.21 H new ATOM 0 HE22 GLN A 30 -6.642 4.894 -22.552 1.00 74.21 H new ATOM 131 N VAL A 31 -10.759 5.450 -15.566 1.00 73.31 N ATOM 132 CA VAL A 31 -12.043 5.677 -14.913 1.00 22.43 C ATOM 133 C VAL A 31 -11.873 5.829 -13.405 1.00 42.24 C ATOM 134 O VAL A 31 -11.008 5.196 -12.800 1.00 3.20 O ATOM 135 CB VAL A 31 -13.027 4.525 -15.193 1.00 43.23 C ATOM 136 CG1 VAL A 31 -13.184 4.310 -16.691 1.00 23.21 C ATOM 137 CG2 VAL A 31 -12.562 3.249 -14.509 1.00 23.14 C ATOM 0 H VAL A 31 -10.137 4.815 -15.065 1.00 73.31 H new ATOM 0 HA VAL A 31 -12.449 6.601 -15.326 1.00 22.43 H new ATOM 0 HB VAL A 31 -14.001 4.794 -14.784 1.00 43.23 H new ATOM 0 HG11 VAL A 31 -13.883 3.493 -16.870 1.00 23.21 H new ATOM 0 HG12 VAL A 31 -13.566 5.221 -17.151 1.00 23.21 H new ATOM 0 HG13 VAL A 31 -12.216 4.062 -17.126 1.00 23.21 H new ATOM 0 HG21 VAL A 31 -13.269 2.446 -14.718 1.00 23.14 H new ATOM 0 HG22 VAL A 31 -11.577 2.972 -14.886 1.00 23.14 H new ATOM 0 HG23 VAL A 31 -12.506 3.413 -13.433 1.00 23.14 H new ATOM 147 N VAL A 32 -12.705 6.674 -12.804 1.00 61.30 N ATOM 148 CA VAL A 32 -12.648 6.909 -11.366 1.00 73.12 C ATOM 149 C VAL A 32 -14.014 6.704 -10.722 1.00 34.54 C ATOM 150 O VAL A 32 -15.038 7.123 -11.263 1.00 12.30 O ATOM 151 CB VAL A 32 -12.152 8.332 -11.050 1.00 12.35 C ATOM 152 CG1 VAL A 32 -10.840 8.612 -11.766 1.00 40.30 C ATOM 153 CG2 VAL A 32 -13.207 9.361 -11.430 1.00 22.53 C ATOM 0 H VAL A 32 -13.426 7.207 -13.290 1.00 61.30 H new ATOM 0 HA VAL A 32 -11.943 6.187 -10.954 1.00 73.12 H new ATOM 0 HB VAL A 32 -11.975 8.406 -9.977 1.00 12.35 H new ATOM 0 HG11 VAL A 32 -10.505 9.622 -11.530 1.00 40.30 H new ATOM 0 HG12 VAL A 32 -10.087 7.895 -11.439 1.00 40.30 H new ATOM 0 HG13 VAL A 32 -10.986 8.520 -12.842 1.00 40.30 H new ATOM 0 HG21 VAL A 32 -12.839 10.361 -11.200 1.00 22.53 H new ATOM 0 HG22 VAL A 32 -13.418 9.289 -12.497 1.00 22.53 H new ATOM 0 HG23 VAL A 32 -14.120 9.171 -10.866 1.00 22.53 H new ATOM 163 N LEU A 33 -14.024 6.056 -9.562 1.00 23.31 N ATOM 164 CA LEU A 33 -15.265 5.794 -8.841 1.00 40.44 C ATOM 165 C LEU A 33 -15.401 6.721 -7.638 1.00 13.24 C ATOM 166 O LEU A 33 -14.531 6.756 -6.767 1.00 32.20 O ATOM 167 CB LEU A 33 -15.315 4.335 -8.384 1.00 40.43 C ATOM 168 CG LEU A 33 -16.162 4.049 -7.144 1.00 3.44 C ATOM 169 CD1 LEU A 33 -17.582 4.558 -7.338 1.00 3.14 C ATOM 170 CD2 LEU A 33 -16.165 2.560 -6.832 1.00 22.02 C ATOM 0 H LEU A 33 -13.186 5.702 -9.100 1.00 23.31 H new ATOM 0 HA LEU A 33 -16.097 5.984 -9.519 1.00 40.44 H new ATOM 0 HB2 LEU A 33 -15.696 3.730 -9.207 1.00 40.43 H new ATOM 0 HB3 LEU A 33 -14.296 4.001 -8.188 1.00 40.43 H new ATOM 0 HG LEU A 33 -15.722 4.576 -6.298 1.00 3.44 H new ATOM 0 HD11 LEU A 33 -18.170 4.345 -6.445 1.00 3.14 H new ATOM 0 HD12 LEU A 33 -17.562 5.634 -7.512 1.00 3.14 H new ATOM 0 HD13 LEU A 33 -18.033 4.060 -8.196 1.00 3.14 H new ATOM 0 HD21 LEU A 33 -16.773 2.375 -5.946 1.00 22.02 H new ATOM 0 HD22 LEU A 33 -16.580 2.012 -7.678 1.00 22.02 H new ATOM 0 HD23 LEU A 33 -15.144 2.225 -6.648 1.00 22.02 H new ATOM 182 N ILE A 34 -16.499 7.469 -7.594 1.00 61.25 N ATOM 183 CA ILE A 34 -16.750 8.393 -6.496 1.00 13.12 C ATOM 184 C ILE A 34 -17.926 7.927 -5.644 1.00 1.24 C ATOM 185 O ILE A 34 -18.868 7.314 -6.147 1.00 12.14 O ATOM 186 CB ILE A 34 -17.037 9.816 -7.011 1.00 65.23 C ATOM 187 CG1 ILE A 34 -18.257 9.812 -7.934 1.00 60.41 C ATOM 188 CG2 ILE A 34 -15.820 10.371 -7.736 1.00 44.30 C ATOM 189 CD1 ILE A 34 -17.903 9.860 -9.404 1.00 13.20 C ATOM 0 H ILE A 34 -17.229 7.453 -8.307 1.00 61.25 H new ATOM 0 HA ILE A 34 -15.846 8.411 -5.887 1.00 13.12 H new ATOM 0 HB ILE A 34 -17.253 10.459 -6.158 1.00 65.23 H new ATOM 0 HG12 ILE A 34 -18.847 8.916 -7.740 1.00 60.41 H new ATOM 0 HG13 ILE A 34 -18.888 10.667 -7.692 1.00 60.41 H new ATOM 0 HG21 ILE A 34 -16.038 11.377 -8.094 1.00 44.30 H new ATOM 0 HG22 ILE A 34 -14.973 10.405 -7.051 1.00 44.30 H new ATOM 0 HG23 ILE A 34 -15.577 9.729 -8.583 1.00 44.30 H new ATOM 0 HD11 ILE A 34 -18.817 9.854 -9.999 1.00 13.20 H new ATOM 0 HD12 ILE A 34 -17.340 10.769 -9.613 1.00 13.20 H new ATOM 0 HD13 ILE A 34 -17.297 8.991 -9.661 1.00 13.20 H new ATOM 201 N THR A 35 -17.866 8.224 -4.349 1.00 24.41 N ATOM 202 CA THR A 35 -18.925 7.836 -3.426 1.00 1.20 C ATOM 203 C THR A 35 -19.123 8.890 -2.343 1.00 0.23 C ATOM 204 O THR A 35 -18.500 9.951 -2.374 1.00 71.41 O ATOM 205 CB THR A 35 -18.621 6.481 -2.759 1.00 10.52 C ATOM 206 OG1 THR A 35 -17.583 6.637 -1.785 1.00 11.04 O ATOM 207 CG2 THR A 35 -18.201 5.450 -3.795 1.00 5.11 C ATOM 0 H THR A 35 -17.095 8.732 -3.916 1.00 24.41 H new ATOM 0 HA THR A 35 -19.839 7.746 -4.013 1.00 1.20 H new ATOM 0 HB THR A 35 -19.529 6.130 -2.269 1.00 10.52 H new ATOM 0 HG1 THR A 35 -17.397 5.772 -1.364 1.00 11.04 H new ATOM 0 HG21 THR A 35 -17.992 4.502 -3.300 1.00 5.11 H new ATOM 0 HG22 THR A 35 -19.005 5.312 -4.518 1.00 5.11 H new ATOM 0 HG23 THR A 35 -17.305 5.796 -4.310 1.00 5.11 H new ATOM 215 N ASN A 36 -19.994 8.591 -1.385 1.00 30.15 N ATOM 216 CA ASN A 36 -20.274 9.514 -0.290 1.00 61.35 C ATOM 217 C ASN A 36 -20.908 10.799 -0.812 1.00 52.51 C ATOM 218 O ASN A 36 -20.814 11.851 -0.179 1.00 10.32 O ATOM 219 CB ASN A 36 -18.988 9.839 0.472 1.00 43.14 C ATOM 220 CG ASN A 36 -19.037 9.375 1.914 1.00 31.53 C ATOM 221 OD1 ASN A 36 -19.783 8.457 2.257 1.00 12.45 O ATOM 222 ND2 ASN A 36 -18.240 10.008 2.767 1.00 33.33 N ATOM 0 H ASN A 36 -20.518 7.717 -1.344 1.00 30.15 H new ATOM 0 HA ASN A 36 -20.978 9.032 0.388 1.00 61.35 H new ATOM 0 HB2 ASN A 36 -18.143 9.368 -0.030 1.00 43.14 H new ATOM 0 HB3 ASN A 36 -18.815 10.915 0.445 1.00 43.14 H new ATOM 0 HD21 ASN A 36 -18.230 9.739 3.751 1.00 33.33 H new ATOM 0 HD22 ASN A 36 -17.638 10.763 2.438 1.00 33.33 H new ATOM 229 N ILE A 37 -21.554 10.707 -1.969 1.00 73.45 N ATOM 230 CA ILE A 37 -22.206 11.862 -2.575 1.00 65.51 C ATOM 231 C ILE A 37 -23.662 11.964 -2.136 1.00 11.44 C ATOM 232 O ILE A 37 -24.359 10.957 -2.021 1.00 50.24 O ATOM 233 CB ILE A 37 -22.148 11.798 -4.113 1.00 12.12 C ATOM 234 CG1 ILE A 37 -22.689 10.456 -4.610 1.00 55.11 C ATOM 235 CG2 ILE A 37 -20.723 12.013 -4.599 1.00 42.40 C ATOM 236 CD1 ILE A 37 -22.861 10.393 -6.112 1.00 30.13 C ATOM 0 H ILE A 37 -21.640 9.844 -2.506 1.00 73.45 H new ATOM 0 HA ILE A 37 -21.664 12.745 -2.236 1.00 65.51 H new ATOM 0 HB ILE A 37 -22.773 12.593 -4.519 1.00 12.12 H new ATOM 0 HG12 ILE A 37 -22.012 9.662 -4.296 1.00 55.11 H new ATOM 0 HG13 ILE A 37 -23.650 10.262 -4.134 1.00 55.11 H new ATOM 0 HG21 ILE A 37 -20.699 11.965 -5.688 1.00 42.40 H new ATOM 0 HG22 ILE A 37 -20.370 12.991 -4.271 1.00 42.40 H new ATOM 0 HG23 ILE A 37 -20.077 11.238 -4.187 1.00 42.40 H new ATOM 0 HD11 ILE A 37 -23.248 9.413 -6.393 1.00 30.13 H new ATOM 0 HD12 ILE A 37 -23.562 11.165 -6.431 1.00 30.13 H new ATOM 0 HD13 ILE A 37 -21.898 10.555 -6.596 1.00 30.13 H new ATOM 248 N ASN A 38 -24.116 13.190 -1.892 1.00 61.31 N ATOM 249 CA ASN A 38 -25.491 13.425 -1.466 1.00 62.04 C ATOM 250 C ASN A 38 -26.464 13.190 -2.617 1.00 54.13 C ATOM 251 O ASN A 38 -26.469 13.910 -3.616 1.00 65.44 O ATOM 252 CB ASN A 38 -25.645 14.852 -0.936 1.00 34.20 C ATOM 253 CG ASN A 38 -26.215 14.888 0.469 1.00 21.31 C ATOM 254 OD1 ASN A 38 -27.478 14.501 0.605 1.00 30.43 O flip ATOM 255 ND2 ASN A 38 -25.527 15.259 1.420 1.00 21.04 N flip ATOM 0 H ASN A 38 -23.552 14.035 -1.982 1.00 61.31 H new ATOM 0 HA ASN A 38 -25.724 12.721 -0.667 1.00 62.04 H new ATOM 0 HB2 ASN A 38 -24.674 15.347 -0.944 1.00 34.20 H new ATOM 0 HB3 ASN A 38 -26.296 15.417 -1.604 1.00 34.20 H new ATOM 0 HD21 ASN A 38 -24.561 15.548 1.268 1.00 21.04 H new ATOM 0 HD22 ASN A 38 -25.923 15.278 2.360 1.00 21.04 H new ATOM 262 N PRO A 39 -27.311 12.159 -2.475 1.00 44.14 N ATOM 263 CA PRO A 39 -28.306 11.806 -3.492 1.00 65.14 C ATOM 264 C PRO A 39 -29.424 12.837 -3.592 1.00 12.41 C ATOM 265 O PRO A 39 -30.260 12.774 -4.493 1.00 2.32 O ATOM 266 CB PRO A 39 -28.856 10.466 -2.999 1.00 74.42 C ATOM 267 CG PRO A 39 -28.631 10.482 -1.527 1.00 3.03 C ATOM 268 CD PRO A 39 -27.362 11.259 -1.311 1.00 3.31 C ATOM 0 HA PRO A 39 -27.871 11.762 -4.490 1.00 65.14 H new ATOM 0 HB2 PRO A 39 -29.915 10.361 -3.236 1.00 74.42 H new ATOM 0 HB3 PRO A 39 -28.340 9.629 -3.469 1.00 74.42 H new ATOM 0 HG2 PRO A 39 -29.468 10.950 -1.009 1.00 3.03 H new ATOM 0 HG3 PRO A 39 -28.540 9.469 -1.135 1.00 3.03 H new ATOM 0 HD2 PRO A 39 -27.386 11.815 -0.374 1.00 3.31 H new ATOM 0 HD3 PRO A 39 -26.492 10.604 -1.271 1.00 3.31 H new ATOM 276 N GLU A 40 -29.433 13.786 -2.661 1.00 2.14 N ATOM 277 CA GLU A 40 -30.450 14.831 -2.645 1.00 30.32 C ATOM 278 C GLU A 40 -30.551 15.512 -4.006 1.00 54.24 C ATOM 279 O GLU A 40 -31.612 16.008 -4.388 1.00 22.32 O ATOM 280 CB GLU A 40 -30.131 15.868 -1.566 1.00 32.43 C ATOM 281 CG GLU A 40 -30.548 15.440 -0.169 1.00 15.34 C ATOM 282 CD GLU A 40 -30.443 16.566 0.842 1.00 64.02 C ATOM 283 OE1 GLU A 40 -30.857 17.698 0.514 1.00 62.33 O ATOM 284 OE2 GLU A 40 -29.946 16.316 1.960 1.00 62.13 O ATOM 0 H GLU A 40 -28.748 13.853 -1.908 1.00 2.14 H new ATOM 0 HA GLU A 40 -31.409 14.365 -2.419 1.00 30.32 H new ATOM 0 HB2 GLU A 40 -29.059 16.068 -1.571 1.00 32.43 H new ATOM 0 HB3 GLU A 40 -30.631 16.804 -1.815 1.00 32.43 H new ATOM 0 HG2 GLU A 40 -31.575 15.076 -0.196 1.00 15.34 H new ATOM 0 HG3 GLU A 40 -29.923 14.607 0.154 1.00 15.34 H new ATOM 291 N VAL A 41 -29.440 15.533 -4.735 1.00 42.41 N ATOM 292 CA VAL A 41 -29.402 16.153 -6.054 1.00 53.13 C ATOM 293 C VAL A 41 -29.569 15.112 -7.155 1.00 63.15 C ATOM 294 O VAL A 41 -28.946 14.050 -7.139 1.00 43.14 O ATOM 295 CB VAL A 41 -28.083 16.916 -6.279 1.00 20.50 C ATOM 296 CG1 VAL A 41 -26.891 15.992 -6.076 1.00 13.45 C ATOM 297 CG2 VAL A 41 -28.056 17.536 -7.668 1.00 34.23 C ATOM 0 H VAL A 41 -28.554 15.128 -4.434 1.00 42.41 H new ATOM 0 HA VAL A 41 -30.232 16.859 -6.096 1.00 53.13 H new ATOM 0 HB VAL A 41 -28.019 17.720 -5.546 1.00 20.50 H new ATOM 0 HG11 VAL A 41 -25.968 16.548 -6.239 1.00 13.45 H new ATOM 0 HG12 VAL A 41 -26.904 15.600 -5.059 1.00 13.45 H new ATOM 0 HG13 VAL A 41 -26.947 15.165 -6.784 1.00 13.45 H new ATOM 0 HG21 VAL A 41 -27.117 18.071 -7.809 1.00 34.23 H new ATOM 0 HG22 VAL A 41 -28.143 16.751 -8.419 1.00 34.23 H new ATOM 0 HG23 VAL A 41 -28.889 18.231 -7.772 1.00 34.23 H new ATOM 307 N PRO A 42 -30.429 15.421 -8.137 1.00 11.11 N ATOM 308 CA PRO A 42 -30.697 14.525 -9.266 1.00 11.40 C ATOM 309 C PRO A 42 -29.506 14.413 -10.212 1.00 34.31 C ATOM 310 O PRO A 42 -28.751 15.368 -10.393 1.00 54.22 O ATOM 311 CB PRO A 42 -31.881 15.190 -9.973 1.00 43.31 C ATOM 312 CG PRO A 42 -31.777 16.632 -9.611 1.00 33.42 C ATOM 313 CD PRO A 42 -31.206 16.669 -8.220 1.00 51.13 C ATOM 0 HA PRO A 42 -30.897 13.505 -8.939 1.00 11.40 H new ATOM 0 HB2 PRO A 42 -31.828 15.048 -11.052 1.00 43.31 H new ATOM 0 HB3 PRO A 42 -32.829 14.766 -9.642 1.00 43.31 H new ATOM 0 HG2 PRO A 42 -31.134 17.165 -10.311 1.00 33.42 H new ATOM 0 HG3 PRO A 42 -32.754 17.114 -9.645 1.00 33.42 H new ATOM 0 HD2 PRO A 42 -30.576 17.545 -8.067 1.00 51.13 H new ATOM 0 HD3 PRO A 42 -31.991 16.705 -7.464 1.00 51.13 H new ATOM 321 N LYS A 43 -29.344 13.239 -10.814 1.00 3.34 N ATOM 322 CA LYS A 43 -28.246 13.001 -11.743 1.00 43.20 C ATOM 323 C LYS A 43 -28.147 14.127 -12.768 1.00 23.41 C ATOM 324 O LYS A 43 -27.052 14.500 -13.188 1.00 52.12 O ATOM 325 CB LYS A 43 -28.437 11.662 -12.458 1.00 22.42 C ATOM 326 CG LYS A 43 -27.478 11.448 -13.617 1.00 12.35 C ATOM 327 CD LYS A 43 -28.083 11.909 -14.932 1.00 45.13 C ATOM 328 CE LYS A 43 -27.916 10.859 -16.020 1.00 72.00 C ATOM 329 NZ LYS A 43 -29.125 9.998 -16.150 1.00 3.54 N ATOM 0 H LYS A 43 -29.960 12.438 -10.675 1.00 3.34 H new ATOM 0 HA LYS A 43 -27.319 12.971 -11.171 1.00 43.20 H new ATOM 0 HB2 LYS A 43 -28.309 10.854 -11.738 1.00 22.42 H new ATOM 0 HB3 LYS A 43 -29.460 11.600 -12.828 1.00 22.42 H new ATOM 0 HG2 LYS A 43 -26.552 11.993 -13.430 1.00 12.35 H new ATOM 0 HG3 LYS A 43 -27.218 10.392 -13.685 1.00 12.35 H new ATOM 0 HD2 LYS A 43 -29.142 12.123 -14.791 1.00 45.13 H new ATOM 0 HD3 LYS A 43 -27.609 12.839 -15.246 1.00 45.13 H new ATOM 0 HE2 LYS A 43 -27.716 11.351 -16.972 1.00 72.00 H new ATOM 0 HE3 LYS A 43 -27.050 10.237 -15.795 1.00 72.00 H new ATOM 0 HZ1 LYS A 43 -28.972 9.296 -16.901 1.00 3.54 H new ATOM 0 HZ2 LYS A 43 -29.301 9.509 -15.249 1.00 3.54 H new ATOM 0 HZ3 LYS A 43 -29.947 10.588 -16.390 1.00 3.54 H new ATOM 343 N GLU A 44 -29.297 14.663 -13.164 1.00 44.21 N ATOM 344 CA GLU A 44 -29.337 15.747 -14.139 1.00 75.42 C ATOM 345 C GLU A 44 -28.438 16.901 -13.708 1.00 0.34 C ATOM 346 O GLU A 44 -27.600 17.372 -14.477 1.00 51.20 O ATOM 347 CB GLU A 44 -30.773 16.244 -14.322 1.00 2.53 C ATOM 348 CG GLU A 44 -31.436 15.739 -15.592 1.00 25.20 C ATOM 349 CD GLU A 44 -32.653 16.555 -15.979 1.00 53.14 C ATOM 350 OE1 GLU A 44 -33.560 16.704 -15.134 1.00 13.11 O ATOM 351 OE2 GLU A 44 -32.700 17.044 -17.127 1.00 44.42 O ATOM 0 H GLU A 44 -30.212 14.365 -12.826 1.00 44.21 H new ATOM 0 HA GLU A 44 -28.970 15.360 -15.090 1.00 75.42 H new ATOM 0 HB2 GLU A 44 -31.368 15.933 -13.463 1.00 2.53 H new ATOM 0 HB3 GLU A 44 -30.773 17.334 -14.331 1.00 2.53 H new ATOM 0 HG2 GLU A 44 -30.714 15.762 -16.408 1.00 25.20 H new ATOM 0 HG3 GLU A 44 -31.730 14.698 -15.455 1.00 25.20 H new ATOM 358 N LYS A 45 -28.618 17.354 -12.471 1.00 72.43 N ATOM 359 CA LYS A 45 -27.824 18.452 -11.935 1.00 11.43 C ATOM 360 C LYS A 45 -26.471 17.954 -11.438 1.00 63.32 C ATOM 361 O LYS A 45 -25.431 18.540 -11.744 1.00 34.11 O ATOM 362 CB LYS A 45 -28.575 19.142 -10.794 1.00 13.04 C ATOM 363 CG LYS A 45 -29.268 20.428 -11.211 1.00 72.40 C ATOM 364 CD LYS A 45 -30.774 20.246 -11.298 1.00 53.34 C ATOM 365 CE LYS A 45 -31.449 20.542 -9.968 1.00 33.23 C ATOM 366 NZ LYS A 45 -32.772 21.201 -10.151 1.00 40.01 N ATOM 0 H LYS A 45 -29.308 16.977 -11.821 1.00 72.43 H new ATOM 0 HA LYS A 45 -27.655 19.170 -12.738 1.00 11.43 H new ATOM 0 HB2 LYS A 45 -29.318 18.454 -10.390 1.00 13.04 H new ATOM 0 HB3 LYS A 45 -27.873 19.362 -9.989 1.00 13.04 H new ATOM 0 HG2 LYS A 45 -29.036 21.216 -10.495 1.00 72.40 H new ATOM 0 HG3 LYS A 45 -28.883 20.753 -12.178 1.00 72.40 H new ATOM 0 HD2 LYS A 45 -31.177 20.905 -12.067 1.00 53.34 H new ATOM 0 HD3 LYS A 45 -31.001 19.224 -11.603 1.00 53.34 H new ATOM 0 HE2 LYS A 45 -31.580 19.613 -9.413 1.00 33.23 H new ATOM 0 HE3 LYS A 45 -30.804 21.184 -9.368 1.00 33.23 H new ATOM 0 HZ1 LYS A 45 -33.199 21.386 -9.221 1.00 40.01 H new ATOM 0 HZ2 LYS A 45 -32.645 22.100 -10.659 1.00 40.01 H new ATOM 0 HZ3 LYS A 45 -33.397 20.578 -10.701 1.00 40.01 H new ATOM 380 N LEU A 46 -26.490 16.868 -10.673 1.00 1.34 N ATOM 381 CA LEU A 46 -25.264 16.289 -10.135 1.00 4.51 C ATOM 382 C LEU A 46 -24.240 16.057 -11.242 1.00 34.51 C ATOM 383 O LEU A 46 -23.135 16.595 -11.201 1.00 3.22 O ATOM 384 CB LEU A 46 -25.569 14.971 -9.421 1.00 44.41 C ATOM 385 CG LEU A 46 -24.396 14.001 -9.274 1.00 33.21 C ATOM 386 CD1 LEU A 46 -24.357 13.420 -7.869 1.00 11.32 C ATOM 387 CD2 LEU A 46 -24.490 12.890 -10.310 1.00 34.15 C ATOM 0 H LEU A 46 -27.341 16.371 -10.411 1.00 1.34 H new ATOM 0 HA LEU A 46 -24.843 16.994 -9.418 1.00 4.51 H new ATOM 0 HB2 LEU A 46 -25.952 15.200 -8.427 1.00 44.41 H new ATOM 0 HB3 LEU A 46 -26.368 14.464 -9.962 1.00 44.41 H new ATOM 0 HG LEU A 46 -23.471 14.551 -9.443 1.00 33.21 H new ATOM 0 HD11 LEU A 46 -23.516 12.732 -7.783 1.00 11.32 H new ATOM 0 HD12 LEU A 46 -24.242 14.226 -7.145 1.00 11.32 H new ATOM 0 HD13 LEU A 46 -25.285 12.884 -7.671 1.00 11.32 H new ATOM 0 HD21 LEU A 46 -23.647 12.209 -10.191 1.00 34.15 H new ATOM 0 HD22 LEU A 46 -25.422 12.342 -10.172 1.00 34.15 H new ATOM 0 HD23 LEU A 46 -24.468 13.322 -11.310 1.00 34.15 H new ATOM 399 N GLN A 47 -24.619 15.253 -12.230 1.00 65.45 N ATOM 400 CA GLN A 47 -23.734 14.950 -13.349 1.00 42.23 C ATOM 401 C GLN A 47 -23.160 16.229 -13.951 1.00 21.14 C ATOM 402 O GLN A 47 -21.958 16.325 -14.198 1.00 13.00 O ATOM 403 CB GLN A 47 -24.486 14.161 -14.422 1.00 64.34 C ATOM 404 CG GLN A 47 -23.578 13.558 -15.482 1.00 64.31 C ATOM 405 CD GLN A 47 -24.142 13.697 -16.882 1.00 70.02 C ATOM 406 OE1 GLN A 47 -24.868 12.825 -17.361 1.00 12.32 O ATOM 407 NE2 GLN A 47 -23.811 14.797 -17.548 1.00 2.45 N ATOM 0 H GLN A 47 -25.532 14.800 -12.279 1.00 65.45 H new ATOM 0 HA GLN A 47 -22.909 14.344 -12.973 1.00 42.23 H new ATOM 0 HB2 GLN A 47 -25.053 13.362 -13.944 1.00 64.34 H new ATOM 0 HB3 GLN A 47 -25.208 14.819 -14.906 1.00 64.34 H new ATOM 0 HG2 GLN A 47 -22.603 14.043 -15.438 1.00 64.31 H new ATOM 0 HG3 GLN A 47 -23.420 12.502 -15.261 1.00 64.31 H new ATOM 0 HE21 GLN A 47 -23.207 15.494 -17.113 1.00 2.45 H new ATOM 0 HE22 GLN A 47 -24.161 14.945 -18.495 1.00 2.45 H new ATOM 416 N ALA A 48 -24.027 17.209 -14.183 1.00 72.54 N ATOM 417 CA ALA A 48 -23.606 18.482 -14.754 1.00 72.01 C ATOM 418 C ALA A 48 -22.425 19.064 -13.985 1.00 51.42 C ATOM 419 O ALA A 48 -21.501 19.624 -14.577 1.00 11.21 O ATOM 420 CB ALA A 48 -24.767 19.465 -14.765 1.00 75.05 C ATOM 0 H ALA A 48 -25.025 17.146 -13.984 1.00 72.54 H new ATOM 0 HA ALA A 48 -23.286 18.304 -15.780 1.00 72.01 H new ATOM 0 HB1 ALA A 48 -24.438 20.412 -15.194 1.00 75.05 H new ATOM 0 HB2 ALA A 48 -25.582 19.059 -15.364 1.00 75.05 H new ATOM 0 HB3 ALA A 48 -25.114 19.630 -13.745 1.00 75.05 H new ATOM 426 N LEU A 49 -22.461 18.930 -12.664 1.00 52.11 N ATOM 427 CA LEU A 49 -21.393 19.444 -11.813 1.00 74.13 C ATOM 428 C LEU A 49 -20.137 18.588 -11.939 1.00 72.13 C ATOM 429 O LEU A 49 -19.033 19.107 -12.110 1.00 14.42 O ATOM 430 CB LEU A 49 -21.852 19.485 -10.355 1.00 0.34 C ATOM 431 CG LEU A 49 -21.906 20.869 -9.707 1.00 53.41 C ATOM 432 CD1 LEU A 49 -20.578 21.590 -9.876 1.00 2.15 C ATOM 433 CD2 LEU A 49 -23.040 21.692 -10.301 1.00 74.02 C ATOM 0 H LEU A 49 -23.218 18.470 -12.159 1.00 52.11 H new ATOM 0 HA LEU A 49 -21.155 20.456 -12.141 1.00 74.13 H new ATOM 0 HB2 LEU A 49 -22.845 19.039 -10.295 1.00 0.34 H new ATOM 0 HB3 LEU A 49 -21.184 18.856 -9.767 1.00 0.34 H new ATOM 0 HG LEU A 49 -22.094 20.742 -8.641 1.00 53.41 H new ATOM 0 HD11 LEU A 49 -20.636 22.573 -9.409 1.00 2.15 H new ATOM 0 HD12 LEU A 49 -19.786 21.009 -9.403 1.00 2.15 H new ATOM 0 HD13 LEU A 49 -20.359 21.705 -10.938 1.00 2.15 H new ATOM 0 HD21 LEU A 49 -23.063 22.674 -9.828 1.00 74.02 H new ATOM 0 HD22 LEU A 49 -22.882 21.809 -11.373 1.00 74.02 H new ATOM 0 HD23 LEU A 49 -23.988 21.183 -10.128 1.00 74.02 H new ATOM 445 N LEU A 50 -20.312 17.274 -11.856 1.00 75.34 N ATOM 446 CA LEU A 50 -19.193 16.344 -11.964 1.00 12.35 C ATOM 447 C LEU A 50 -18.414 16.577 -13.254 1.00 4.02 C ATOM 448 O LEU A 50 -17.182 16.587 -13.254 1.00 14.11 O ATOM 449 CB LEU A 50 -19.697 14.901 -11.912 1.00 24.33 C ATOM 450 CG LEU A 50 -20.546 14.529 -10.696 1.00 2.34 C ATOM 451 CD1 LEU A 50 -20.652 13.018 -10.560 1.00 2.30 C ATOM 452 CD2 LEU A 50 -19.962 15.140 -9.430 1.00 45.54 C ATOM 0 H LEU A 50 -21.218 16.828 -11.714 1.00 75.34 H new ATOM 0 HA LEU A 50 -18.524 16.519 -11.121 1.00 12.35 H new ATOM 0 HB2 LEU A 50 -20.283 14.709 -12.811 1.00 24.33 H new ATOM 0 HB3 LEU A 50 -18.835 14.235 -11.945 1.00 24.33 H new ATOM 0 HG LEU A 50 -21.549 14.931 -10.841 1.00 2.34 H new ATOM 0 HD11 LEU A 50 -21.260 12.773 -9.689 1.00 2.30 H new ATOM 0 HD12 LEU A 50 -21.116 12.604 -11.455 1.00 2.30 H new ATOM 0 HD13 LEU A 50 -19.656 12.593 -10.438 1.00 2.30 H new ATOM 0 HD21 LEU A 50 -20.579 14.865 -8.575 1.00 45.54 H new ATOM 0 HD22 LEU A 50 -18.948 14.768 -9.281 1.00 45.54 H new ATOM 0 HD23 LEU A 50 -19.940 16.225 -9.527 1.00 45.54 H new ATOM 464 N TYR A 51 -19.138 16.766 -14.351 1.00 35.23 N ATOM 465 CA TYR A 51 -18.515 16.999 -15.648 1.00 71.51 C ATOM 466 C TYR A 51 -17.921 18.402 -15.723 1.00 71.22 C ATOM 467 O TYR A 51 -16.886 18.617 -16.354 1.00 33.14 O ATOM 468 CB TYR A 51 -19.536 16.804 -16.770 1.00 52.23 C ATOM 469 CG TYR A 51 -18.935 16.882 -18.156 1.00 34.43 C ATOM 470 CD1 TYR A 51 -18.644 18.108 -18.740 1.00 53.22 C ATOM 471 CD2 TYR A 51 -18.660 15.729 -18.880 1.00 61.25 C ATOM 472 CE1 TYR A 51 -18.096 18.184 -20.006 1.00 10.00 C ATOM 473 CE2 TYR A 51 -18.110 15.795 -20.146 1.00 54.11 C ATOM 474 CZ TYR A 51 -17.830 17.025 -20.705 1.00 35.24 C ATOM 475 OH TYR A 51 -17.284 17.095 -21.966 1.00 13.12 O ATOM 0 H TYR A 51 -20.158 16.762 -14.368 1.00 35.23 H new ATOM 0 HA TYR A 51 -17.708 16.276 -15.770 1.00 71.51 H new ATOM 0 HB2 TYR A 51 -20.019 15.834 -16.646 1.00 52.23 H new ATOM 0 HB3 TYR A 51 -20.314 17.561 -16.677 1.00 52.23 H new ATOM 0 HD1 TYR A 51 -18.850 19.018 -18.195 1.00 53.22 H new ATOM 0 HD2 TYR A 51 -18.880 14.765 -18.446 1.00 61.25 H new ATOM 0 HE1 TYR A 51 -17.877 19.146 -20.446 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -17.900 14.889 -20.695 1.00 54.11 H new ATOM 0 HH TYR A 51 -17.158 16.189 -22.319 1.00 13.12 H new ATOM 485 N ALA A 52 -18.584 19.353 -15.074 1.00 52.33 N ATOM 486 CA ALA A 52 -18.122 20.736 -15.064 1.00 62.43 C ATOM 487 C ALA A 52 -16.717 20.840 -14.481 1.00 0.45 C ATOM 488 O ALA A 52 -15.829 21.449 -15.078 1.00 42.54 O ATOM 489 CB ALA A 52 -19.088 21.610 -14.279 1.00 73.20 C ATOM 0 H ALA A 52 -19.443 19.191 -14.548 1.00 52.33 H new ATOM 0 HA ALA A 52 -18.087 21.089 -16.095 1.00 62.43 H new ATOM 0 HB1 ALA A 52 -18.730 22.640 -14.280 1.00 73.20 H new ATOM 0 HB2 ALA A 52 -20.074 21.568 -14.741 1.00 73.20 H new ATOM 0 HB3 ALA A 52 -19.153 21.250 -13.252 1.00 73.20 H new ATOM 495 N LEU A 53 -16.522 20.244 -13.310 1.00 31.14 N ATOM 496 CA LEU A 53 -15.224 20.271 -12.644 1.00 72.30 C ATOM 497 C LEU A 53 -14.189 19.481 -13.438 1.00 44.01 C ATOM 498 O LEU A 53 -13.137 20.007 -13.801 1.00 52.33 O ATOM 499 CB LEU A 53 -15.343 19.700 -11.230 1.00 5.24 C ATOM 500 CG LEU A 53 -16.506 20.226 -10.389 1.00 14.31 C ATOM 501 CD1 LEU A 53 -16.785 19.294 -9.220 1.00 3.10 C ATOM 502 CD2 LEU A 53 -16.212 21.634 -9.892 1.00 42.22 C ATOM 0 H LEU A 53 -17.246 19.736 -12.802 1.00 31.14 H new ATOM 0 HA LEU A 53 -14.895 21.308 -12.584 1.00 72.30 H new ATOM 0 HB2 LEU A 53 -15.435 18.616 -11.304 1.00 5.24 H new ATOM 0 HB3 LEU A 53 -14.414 19.905 -10.698 1.00 5.24 H new ATOM 0 HG LEU A 53 -17.395 20.263 -11.018 1.00 14.31 H new ATOM 0 HD11 LEU A 53 -17.616 19.685 -8.633 1.00 3.10 H new ATOM 0 HD12 LEU A 53 -17.041 18.304 -9.597 1.00 3.10 H new ATOM 0 HD13 LEU A 53 -15.898 19.224 -8.591 1.00 3.10 H new ATOM 0 HD21 LEU A 53 -17.051 21.992 -9.295 1.00 42.22 H new ATOM 0 HD22 LEU A 53 -15.310 21.623 -9.280 1.00 42.22 H new ATOM 0 HD23 LEU A 53 -16.064 22.297 -10.744 1.00 42.22 H new ATOM 514 N ALA A 54 -14.495 18.216 -13.706 1.00 23.21 N ATOM 515 CA ALA A 54 -13.593 17.355 -14.461 1.00 24.13 C ATOM 516 C ALA A 54 -13.185 18.007 -15.778 1.00 33.13 C ATOM 517 O ALA A 54 -12.020 17.958 -16.171 1.00 40.21 O ATOM 518 CB ALA A 54 -14.244 16.004 -14.718 1.00 0.14 C ATOM 0 H ALA A 54 -15.361 17.765 -13.411 1.00 23.21 H new ATOM 0 HA ALA A 54 -12.692 17.204 -13.866 1.00 24.13 H new ATOM 0 HB1 ALA A 54 -13.559 15.372 -15.283 1.00 0.14 H new ATOM 0 HB2 ALA A 54 -14.478 15.526 -13.767 1.00 0.14 H new ATOM 0 HB3 ALA A 54 -15.162 16.145 -15.289 1.00 0.14 H new ATOM 524 N SER A 55 -14.153 18.616 -16.455 1.00 50.22 N ATOM 525 CA SER A 55 -13.896 19.274 -17.731 1.00 5.22 C ATOM 526 C SER A 55 -12.734 20.256 -17.611 1.00 22.11 C ATOM 527 O SER A 55 -12.025 20.518 -18.583 1.00 14.12 O ATOM 528 CB SER A 55 -15.149 20.007 -18.213 1.00 72.52 C ATOM 529 OG SER A 55 -14.894 20.719 -19.411 1.00 52.22 O ATOM 0 H SER A 55 -15.122 18.668 -16.141 1.00 50.22 H new ATOM 0 HA SER A 55 -13.629 18.508 -18.459 1.00 5.22 H new ATOM 0 HB2 SER A 55 -15.953 19.290 -18.377 1.00 72.52 H new ATOM 0 HB3 SER A 55 -15.490 20.697 -17.441 1.00 72.52 H new ATOM 0 HG SER A 55 -15.711 21.178 -19.699 1.00 52.22 H new ATOM 535 N SER A 56 -12.545 20.796 -16.411 1.00 61.30 N ATOM 536 CA SER A 56 -11.472 21.752 -16.163 1.00 60.33 C ATOM 537 C SER A 56 -10.154 21.032 -15.895 1.00 61.44 C ATOM 538 O SER A 56 -9.082 21.532 -16.234 1.00 62.25 O ATOM 539 CB SER A 56 -11.825 22.651 -14.977 1.00 33.21 C ATOM 540 OG SER A 56 -11.249 23.937 -15.122 1.00 43.14 O ATOM 0 H SER A 56 -13.121 20.588 -15.595 1.00 61.30 H new ATOM 0 HA SER A 56 -11.355 22.368 -17.055 1.00 60.33 H new ATOM 0 HB2 SER A 56 -12.908 22.742 -14.895 1.00 33.21 H new ATOM 0 HB3 SER A 56 -11.473 22.194 -14.053 1.00 33.21 H new ATOM 0 HG SER A 56 -11.491 24.493 -14.352 1.00 43.14 H new ATOM 546 N GLN A 57 -10.243 19.855 -15.285 1.00 34.44 N ATOM 547 CA GLN A 57 -9.058 19.066 -14.970 1.00 72.52 C ATOM 548 C GLN A 57 -8.625 18.231 -16.171 1.00 53.23 C ATOM 549 O GLN A 57 -7.643 18.550 -16.840 1.00 2.05 O ATOM 550 CB GLN A 57 -9.330 18.154 -13.772 1.00 64.12 C ATOM 551 CG GLN A 57 -9.184 18.853 -12.430 1.00 43.13 C ATOM 552 CD GLN A 57 -10.338 18.562 -11.492 1.00 54.41 C ATOM 553 OE1 GLN A 57 -10.172 17.889 -10.475 1.00 14.13 O ATOM 554 NE2 GLN A 57 -11.518 19.070 -11.830 1.00 11.11 N ATOM 0 H GLN A 57 -11.123 19.427 -14.999 1.00 34.44 H new ATOM 0 HA GLN A 57 -8.251 19.754 -14.718 1.00 72.52 H new ATOM 0 HB2 GLN A 57 -10.339 17.751 -13.854 1.00 64.12 H new ATOM 0 HB3 GLN A 57 -8.645 17.307 -13.808 1.00 64.12 H new ATOM 0 HG2 GLN A 57 -8.251 18.539 -11.961 1.00 43.13 H new ATOM 0 HG3 GLN A 57 -9.114 19.929 -12.591 1.00 43.13 H new ATOM 0 HE21 GLN A 57 -11.610 19.622 -12.683 1.00 11.11 H new ATOM 0 HE22 GLN A 57 -12.332 18.908 -11.237 1.00 11.11 H new ATOM 563 N GLY A 58 -9.366 17.160 -16.440 1.00 10.03 N ATOM 564 CA GLY A 58 -9.042 16.296 -17.560 1.00 14.11 C ATOM 565 C GLY A 58 -10.229 16.062 -18.473 1.00 73.12 C ATOM 566 O GLY A 58 -11.367 16.367 -18.114 1.00 61.54 O ATOM 0 H GLY A 58 -10.185 16.876 -15.902 1.00 10.03 H new ATOM 0 HA2 GLY A 58 -8.228 16.739 -18.134 1.00 14.11 H new ATOM 0 HA3 GLY A 58 -8.682 15.338 -17.184 1.00 14.11 H new ATOM 570 N ASP A 59 -9.965 15.521 -19.657 1.00 42.03 N ATOM 571 CA ASP A 59 -11.020 15.247 -20.626 1.00 32.34 C ATOM 572 C ASP A 59 -11.899 14.091 -20.158 1.00 73.23 C ATOM 573 O ASP A 59 -11.398 13.053 -19.724 1.00 1.30 O ATOM 574 CB ASP A 59 -10.416 14.924 -21.993 1.00 21.20 C ATOM 575 CG ASP A 59 -9.752 16.128 -22.632 1.00 15.13 C ATOM 576 OD1 ASP A 59 -10.474 16.959 -23.221 1.00 11.41 O ATOM 577 OD2 ASP A 59 -8.511 16.239 -22.543 1.00 75.22 O ATOM 0 H ASP A 59 -9.029 15.263 -19.969 1.00 42.03 H new ATOM 0 HA ASP A 59 -11.640 16.139 -20.714 1.00 32.34 H new ATOM 0 HB2 ASP A 59 -9.683 14.124 -21.883 1.00 21.20 H new ATOM 0 HB3 ASP A 59 -11.199 14.551 -22.654 1.00 21.20 H new ATOM 582 N ILE A 60 -13.212 14.278 -20.250 1.00 24.23 N ATOM 583 CA ILE A 60 -14.160 13.251 -19.836 1.00 64.33 C ATOM 584 C ILE A 60 -14.704 12.489 -21.040 1.00 33.02 C ATOM 585 O ILE A 60 -15.080 13.087 -22.049 1.00 14.12 O ATOM 586 CB ILE A 60 -15.338 13.856 -19.050 1.00 24.41 C ATOM 587 CG1 ILE A 60 -14.820 14.713 -17.893 1.00 51.44 C ATOM 588 CG2 ILE A 60 -16.250 12.754 -18.532 1.00 72.13 C ATOM 589 CD1 ILE A 60 -14.767 16.191 -18.214 1.00 24.22 C ATOM 0 H ILE A 60 -13.643 15.131 -20.607 1.00 24.23 H new ATOM 0 HA ILE A 60 -13.617 12.563 -19.188 1.00 64.33 H new ATOM 0 HB ILE A 60 -15.914 14.493 -19.721 1.00 24.41 H new ATOM 0 HG12 ILE A 60 -15.460 14.561 -17.024 1.00 51.44 H new ATOM 0 HG13 ILE A 60 -13.822 14.373 -17.618 1.00 51.44 H new ATOM 0 HG21 ILE A 60 -17.078 13.197 -17.979 1.00 72.13 H new ATOM 0 HG22 ILE A 60 -16.641 12.180 -19.372 1.00 72.13 H new ATOM 0 HG23 ILE A 60 -15.685 12.094 -17.873 1.00 72.13 H new ATOM 0 HD11 ILE A 60 -14.391 16.738 -17.349 1.00 24.22 H new ATOM 0 HD12 ILE A 60 -14.104 16.355 -19.064 1.00 24.22 H new ATOM 0 HD13 ILE A 60 -15.768 16.546 -18.460 1.00 24.22 H new ATOM 601 N LEU A 61 -14.746 11.166 -20.926 1.00 45.13 N ATOM 602 CA LEU A 61 -15.247 10.321 -22.005 1.00 25.13 C ATOM 603 C LEU A 61 -16.685 9.890 -21.735 1.00 64.33 C ATOM 604 O LEU A 61 -17.460 9.664 -22.665 1.00 11.34 O ATOM 605 CB LEU A 61 -14.355 9.089 -22.170 1.00 31.24 C ATOM 606 CG LEU A 61 -12.853 9.320 -22.005 1.00 3.42 C ATOM 607 CD1 LEU A 61 -12.077 8.057 -22.344 1.00 34.33 C ATOM 608 CD2 LEU A 61 -12.393 10.480 -22.876 1.00 51.23 C ATOM 0 H LEU A 61 -14.439 10.655 -20.098 1.00 45.13 H new ATOM 0 HA LEU A 61 -15.228 10.901 -22.927 1.00 25.13 H new ATOM 0 HB2 LEU A 61 -14.669 8.339 -21.444 1.00 31.24 H new ATOM 0 HB3 LEU A 61 -14.531 8.668 -23.160 1.00 31.24 H new ATOM 0 HG LEU A 61 -12.657 9.573 -20.963 1.00 3.42 H new ATOM 0 HD11 LEU A 61 -11.010 8.241 -22.221 1.00 34.33 H new ATOM 0 HD12 LEU A 61 -12.385 7.251 -21.678 1.00 34.33 H new ATOM 0 HD13 LEU A 61 -12.279 7.772 -23.377 1.00 34.33 H new ATOM 0 HD21 LEU A 61 -11.321 10.630 -22.746 1.00 51.23 H new ATOM 0 HD22 LEU A 61 -12.604 10.256 -23.922 1.00 51.23 H new ATOM 0 HD23 LEU A 61 -12.924 11.386 -22.585 1.00 51.23 H new ATOM 620 N ASP A 62 -17.034 9.779 -20.458 1.00 52.25 N ATOM 621 CA ASP A 62 -18.380 9.378 -20.066 1.00 54.52 C ATOM 622 C ASP A 62 -18.508 9.316 -18.547 1.00 40.53 C ATOM 623 O ASP A 62 -17.739 8.626 -17.878 1.00 3.32 O ATOM 624 CB ASP A 62 -18.729 8.020 -20.676 1.00 20.34 C ATOM 625 CG ASP A 62 -19.918 7.369 -19.997 1.00 74.13 C ATOM 626 OD1 ASP A 62 -20.864 8.098 -19.631 1.00 24.34 O ATOM 627 OD2 ASP A 62 -19.904 6.131 -19.832 1.00 63.13 O ATOM 0 H ASP A 62 -16.404 9.961 -19.677 1.00 52.25 H new ATOM 0 HA ASP A 62 -19.079 10.126 -20.441 1.00 54.52 H new ATOM 0 HB2 ASP A 62 -18.944 8.146 -21.737 1.00 20.34 H new ATOM 0 HB3 ASP A 62 -17.865 7.359 -20.602 1.00 20.34 H new ATOM 632 N ILE A 63 -19.483 10.042 -18.010 1.00 42.45 N ATOM 633 CA ILE A 63 -19.711 10.069 -16.571 1.00 45.50 C ATOM 634 C ILE A 63 -20.962 9.282 -16.198 1.00 1.25 C ATOM 635 O ILE A 63 -22.081 9.691 -16.507 1.00 12.02 O ATOM 636 CB ILE A 63 -19.851 11.512 -16.050 1.00 42.13 C ATOM 637 CG1 ILE A 63 -18.638 12.347 -16.465 1.00 3.32 C ATOM 638 CG2 ILE A 63 -20.011 11.516 -14.537 1.00 73.24 C ATOM 639 CD1 ILE A 63 -18.656 13.755 -15.912 1.00 53.44 C ATOM 0 H ILE A 63 -20.128 10.619 -18.550 1.00 42.45 H new ATOM 0 HA ILE A 63 -18.841 9.606 -16.105 1.00 45.50 H new ATOM 0 HB ILE A 63 -20.743 11.957 -16.491 1.00 42.13 H new ATOM 0 HG12 ILE A 63 -17.730 11.845 -16.130 1.00 3.32 H new ATOM 0 HG13 ILE A 63 -18.594 12.393 -17.553 1.00 3.32 H new ATOM 0 HG21 ILE A 63 -20.109 12.543 -14.184 1.00 73.24 H new ATOM 0 HG22 ILE A 63 -20.903 10.952 -14.264 1.00 73.24 H new ATOM 0 HG23 ILE A 63 -19.136 11.056 -14.077 1.00 73.24 H new ATOM 0 HD11 ILE A 63 -17.766 14.289 -16.247 1.00 53.44 H new ATOM 0 HD12 ILE A 63 -19.546 14.274 -16.268 1.00 53.44 H new ATOM 0 HD13 ILE A 63 -18.669 13.718 -14.823 1.00 53.44 H new ATOM 651 N VAL A 64 -20.765 8.151 -15.529 1.00 22.55 N ATOM 652 CA VAL A 64 -21.877 7.306 -15.109 1.00 53.54 C ATOM 653 C VAL A 64 -22.368 7.695 -13.719 1.00 73.43 C ATOM 654 O VAL A 64 -21.579 8.076 -12.854 1.00 55.15 O ATOM 655 CB VAL A 64 -21.482 5.818 -15.105 1.00 61.21 C ATOM 656 CG1 VAL A 64 -22.644 4.958 -14.631 1.00 63.14 C ATOM 657 CG2 VAL A 64 -21.018 5.386 -16.488 1.00 43.41 C ATOM 0 H VAL A 64 -19.845 7.798 -15.266 1.00 22.55 H new ATOM 0 HA VAL A 64 -22.680 7.458 -15.830 1.00 53.54 H new ATOM 0 HB VAL A 64 -20.653 5.682 -14.410 1.00 61.21 H new ATOM 0 HG11 VAL A 64 -22.346 3.910 -14.635 1.00 63.14 H new ATOM 0 HG12 VAL A 64 -22.925 5.252 -13.620 1.00 63.14 H new ATOM 0 HG13 VAL A 64 -23.495 5.096 -15.298 1.00 63.14 H new ATOM 0 HG21 VAL A 64 -20.743 4.332 -16.467 1.00 43.41 H new ATOM 0 HG22 VAL A 64 -21.825 5.536 -17.206 1.00 43.41 H new ATOM 0 HG23 VAL A 64 -20.154 5.981 -16.784 1.00 43.41 H new ATOM 667 N VAL A 65 -23.677 7.594 -13.510 1.00 52.35 N ATOM 668 CA VAL A 65 -24.274 7.933 -12.224 1.00 54.23 C ATOM 669 C VAL A 65 -25.352 6.927 -11.836 1.00 63.43 C ATOM 670 O VAL A 65 -26.228 6.600 -12.637 1.00 63.32 O ATOM 671 CB VAL A 65 -24.890 9.345 -12.246 1.00 32.20 C ATOM 672 CG1 VAL A 65 -25.423 9.716 -10.871 1.00 12.34 C ATOM 673 CG2 VAL A 65 -23.867 10.364 -12.724 1.00 14.52 C ATOM 0 H VAL A 65 -24.344 7.280 -14.215 1.00 52.35 H new ATOM 0 HA VAL A 65 -23.472 7.905 -11.486 1.00 54.23 H new ATOM 0 HB VAL A 65 -25.726 9.348 -12.946 1.00 32.20 H new ATOM 0 HG11 VAL A 65 -25.854 10.716 -10.906 1.00 12.34 H new ATOM 0 HG12 VAL A 65 -26.189 9.001 -10.573 1.00 12.34 H new ATOM 0 HG13 VAL A 65 -24.608 9.697 -10.148 1.00 12.34 H new ATOM 0 HG21 VAL A 65 -24.319 11.356 -12.734 1.00 14.52 H new ATOM 0 HG22 VAL A 65 -23.010 10.362 -12.051 1.00 14.52 H new ATOM 0 HG23 VAL A 65 -23.539 10.105 -13.731 1.00 14.52 H new ATOM 683 N ASP A 66 -25.281 6.439 -10.603 1.00 21.13 N ATOM 684 CA ASP A 66 -26.251 5.470 -10.107 1.00 33.03 C ATOM 685 C ASP A 66 -27.653 6.071 -10.078 1.00 72.21 C ATOM 686 O ASP A 66 -27.922 7.078 -10.734 1.00 72.13 O ATOM 687 CB ASP A 66 -25.859 4.993 -8.707 1.00 44.34 C ATOM 688 CG ASP A 66 -26.006 3.493 -8.544 1.00 41.32 C ATOM 689 OD1 ASP A 66 -25.751 2.762 -9.524 1.00 21.41 O ATOM 690 OD2 ASP A 66 -26.375 3.051 -7.437 1.00 33.14 O ATOM 0 H ASP A 66 -24.562 6.699 -9.928 1.00 21.13 H new ATOM 0 HA ASP A 66 -26.254 4.617 -10.785 1.00 33.03 H new ATOM 0 HB2 ASP A 66 -24.826 5.278 -8.505 1.00 44.34 H new ATOM 0 HB3 ASP A 66 -26.480 5.498 -7.967 1.00 44.34 H new ATOM 695 N LEU A 67 -28.543 5.446 -9.315 1.00 14.41 N ATOM 696 CA LEU A 67 -29.919 5.919 -9.201 1.00 60.42 C ATOM 697 C LEU A 67 -30.069 6.880 -8.026 1.00 75.43 C ATOM 698 O LEU A 67 -31.177 7.121 -7.547 1.00 52.20 O ATOM 699 CB LEU A 67 -30.873 4.735 -9.032 1.00 70.11 C ATOM 700 CG LEU A 67 -30.448 3.670 -8.021 1.00 32.33 C ATOM 701 CD1 LEU A 67 -29.477 2.687 -8.656 1.00 41.23 C ATOM 702 CD2 LEU A 67 -29.826 4.318 -6.793 1.00 14.35 C ATOM 0 H LEU A 67 -28.337 4.611 -8.766 1.00 14.41 H new ATOM 0 HA LEU A 67 -30.171 6.453 -10.117 1.00 60.42 H new ATOM 0 HB2 LEU A 67 -31.849 5.120 -8.736 1.00 70.11 H new ATOM 0 HB3 LEU A 67 -31.001 4.256 -10.003 1.00 70.11 H new ATOM 0 HG LEU A 67 -31.336 3.121 -7.707 1.00 32.33 H new ATOM 0 HD11 LEU A 67 -29.186 1.937 -7.921 1.00 41.23 H new ATOM 0 HD12 LEU A 67 -29.957 2.198 -9.504 1.00 41.23 H new ATOM 0 HD13 LEU A 67 -28.591 3.221 -8.999 1.00 41.23 H new ATOM 0 HD21 LEU A 67 -29.530 3.545 -6.084 1.00 14.35 H new ATOM 0 HD22 LEU A 67 -28.949 4.893 -7.090 1.00 14.35 H new ATOM 0 HD23 LEU A 67 -30.553 4.981 -6.324 1.00 14.35 H new ATOM 714 N SER A 68 -28.948 7.427 -7.568 1.00 61.44 N ATOM 715 CA SER A 68 -28.955 8.360 -6.449 1.00 4.55 C ATOM 716 C SER A 68 -29.723 7.783 -5.264 1.00 75.21 C ATOM 717 O SER A 68 -30.699 8.371 -4.797 1.00 72.30 O ATOM 718 CB SER A 68 -29.575 9.693 -6.872 1.00 45.43 C ATOM 719 OG SER A 68 -29.715 10.566 -5.764 1.00 64.24 O ATOM 0 H SER A 68 -28.023 7.240 -7.955 1.00 61.44 H new ATOM 0 HA SER A 68 -27.922 8.528 -6.143 1.00 4.55 H new ATOM 0 HB2 SER A 68 -28.951 10.163 -7.632 1.00 45.43 H new ATOM 0 HB3 SER A 68 -30.551 9.516 -7.325 1.00 45.43 H new ATOM 0 HG SER A 68 -30.432 10.241 -5.180 1.00 64.24 H new ATOM 725 N ASP A 69 -29.277 6.628 -4.784 1.00 25.14 N ATOM 726 CA ASP A 69 -29.921 5.970 -3.653 1.00 23.41 C ATOM 727 C ASP A 69 -29.559 6.662 -2.343 1.00 25.14 C ATOM 728 O ASP A 69 -28.464 7.206 -2.199 1.00 24.15 O ATOM 729 CB ASP A 69 -29.515 4.496 -3.595 1.00 12.04 C ATOM 730 CG ASP A 69 -30.697 3.563 -3.769 1.00 73.15 C ATOM 731 OD1 ASP A 69 -31.627 3.917 -4.525 1.00 2.43 O ATOM 732 OD2 ASP A 69 -30.692 2.478 -3.152 1.00 34.22 O ATOM 0 H ASP A 69 -28.472 6.128 -5.160 1.00 25.14 H new ATOM 0 HA ASP A 69 -31.000 6.037 -3.792 1.00 23.41 H new ATOM 0 HB2 ASP A 69 -28.779 4.294 -4.373 1.00 12.04 H new ATOM 0 HB3 ASP A 69 -29.033 4.292 -2.639 1.00 12.04 H new ATOM 737 N ASP A 70 -30.485 6.638 -1.391 1.00 53.23 N ATOM 738 CA ASP A 70 -30.264 7.264 -0.093 1.00 30.45 C ATOM 739 C ASP A 70 -29.318 6.424 0.761 1.00 53.13 C ATOM 740 O ASP A 70 -28.912 6.839 1.845 1.00 24.11 O ATOM 741 CB ASP A 70 -31.594 7.457 0.638 1.00 60.33 C ATOM 742 CG ASP A 70 -32.129 8.869 0.503 1.00 25.01 C ATOM 743 OD1 ASP A 70 -31.390 9.817 0.842 1.00 12.10 O ATOM 744 OD2 ASP A 70 -33.286 9.026 0.060 1.00 43.12 O ATOM 0 H ASP A 70 -31.396 6.192 -1.494 1.00 53.23 H new ATOM 0 HA ASP A 70 -29.806 8.239 -0.261 1.00 30.45 H new ATOM 0 HB2 ASP A 70 -32.328 6.754 0.243 1.00 60.33 H new ATOM 0 HB3 ASP A 70 -31.463 7.221 1.694 1.00 60.33 H new ATOM 749 N ASN A 71 -28.973 5.241 0.263 1.00 34.22 N ATOM 750 CA ASN A 71 -28.077 4.342 0.981 1.00 61.11 C ATOM 751 C ASN A 71 -26.811 4.076 0.172 1.00 3.51 C ATOM 752 O ASN A 71 -25.837 3.526 0.687 1.00 51.35 O ATOM 753 CB ASN A 71 -28.785 3.021 1.289 1.00 23.02 C ATOM 754 CG ASN A 71 -29.733 2.601 0.183 1.00 40.13 C ATOM 755 OD1 ASN A 71 -30.866 3.076 0.108 1.00 53.12 O ATOM 756 ND2 ASN A 71 -29.272 1.706 -0.683 1.00 72.11 N ATOM 0 H ASN A 71 -29.300 4.883 -0.634 1.00 34.22 H new ATOM 0 HA ASN A 71 -27.795 4.822 1.918 1.00 61.11 H new ATOM 0 HB2 ASN A 71 -28.040 2.240 1.441 1.00 23.02 H new ATOM 0 HB3 ASN A 71 -29.340 3.119 2.222 1.00 23.02 H new ATOM 0 HD21 ASN A 71 -29.864 1.385 -1.449 1.00 72.11 H new ATOM 0 HD22 ASN A 71 -28.326 1.339 -0.582 1.00 72.11 H new ATOM 763 N SER A 72 -26.832 4.472 -1.097 1.00 2.03 N ATOM 764 CA SER A 72 -25.687 4.274 -1.978 1.00 51.32 C ATOM 765 C SER A 72 -25.055 5.611 -2.356 1.00 31.41 C ATOM 766 O SER A 72 -23.976 5.957 -1.877 1.00 51.12 O ATOM 767 CB SER A 72 -26.113 3.523 -3.241 1.00 42.43 C ATOM 768 OG SER A 72 -25.518 2.238 -3.295 1.00 52.34 O ATOM 0 H SER A 72 -27.629 4.932 -1.538 1.00 2.03 H new ATOM 0 HA SER A 72 -24.946 3.680 -1.443 1.00 51.32 H new ATOM 0 HB2 SER A 72 -27.198 3.426 -3.261 1.00 42.43 H new ATOM 0 HB3 SER A 72 -25.828 4.097 -4.123 1.00 42.43 H new ATOM 0 HG SER A 72 -25.807 1.778 -4.110 1.00 52.34 H new ATOM 774 N GLY A 73 -25.737 6.358 -3.219 1.00 63.43 N ATOM 775 CA GLY A 73 -25.228 7.647 -3.648 1.00 4.33 C ATOM 776 C GLY A 73 -23.786 7.577 -4.112 1.00 33.44 C ATOM 777 O GLY A 73 -22.862 7.789 -3.326 1.00 50.14 O ATOM 0 H GLY A 73 -26.633 6.093 -3.628 1.00 63.43 H new ATOM 0 HA2 GLY A 73 -25.849 8.028 -4.459 1.00 4.33 H new ATOM 0 HA3 GLY A 73 -25.307 8.357 -2.825 1.00 4.33 H new ATOM 781 N LYS A 74 -23.592 7.276 -5.391 1.00 73.31 N ATOM 782 CA LYS A 74 -22.253 7.177 -5.960 1.00 33.42 C ATOM 783 C LYS A 74 -22.275 7.467 -7.457 1.00 53.40 C ATOM 784 O LYS A 74 -23.333 7.712 -8.036 1.00 13.32 O ATOM 785 CB LYS A 74 -21.672 5.783 -5.709 1.00 0.55 C ATOM 786 CG LYS A 74 -22.546 4.656 -6.232 1.00 4.45 C ATOM 787 CD LYS A 74 -21.950 3.295 -5.914 1.00 5.44 C ATOM 788 CE LYS A 74 -22.777 2.553 -4.875 1.00 51.25 C ATOM 789 NZ LYS A 74 -21.921 1.788 -3.927 1.00 40.03 N ATOM 0 H LYS A 74 -24.346 7.096 -6.054 1.00 73.31 H new ATOM 0 HA LYS A 74 -21.623 7.921 -5.473 1.00 33.42 H new ATOM 0 HB2 LYS A 74 -20.690 5.718 -6.178 1.00 0.55 H new ATOM 0 HB3 LYS A 74 -21.523 5.648 -4.638 1.00 0.55 H new ATOM 0 HG2 LYS A 74 -23.540 4.731 -5.791 1.00 4.45 H new ATOM 0 HG3 LYS A 74 -22.667 4.758 -7.310 1.00 4.45 H new ATOM 0 HD2 LYS A 74 -21.891 2.701 -6.826 1.00 5.44 H new ATOM 0 HD3 LYS A 74 -20.931 3.419 -5.548 1.00 5.44 H new ATOM 0 HE2 LYS A 74 -23.386 3.266 -4.320 1.00 51.25 H new ATOM 0 HE3 LYS A 74 -23.463 1.870 -5.377 1.00 51.25 H new ATOM 0 HZ1 LYS A 74 -22.522 1.297 -3.235 1.00 40.03 H new ATOM 0 HZ2 LYS A 74 -21.358 1.090 -4.454 1.00 40.03 H new ATOM 0 HZ3 LYS A 74 -21.284 2.442 -3.429 1.00 40.03 H new ATOM 803 N ALA A 75 -21.101 7.437 -8.078 1.00 42.23 N ATOM 804 CA ALA A 75 -20.986 7.694 -9.509 1.00 34.04 C ATOM 805 C ALA A 75 -19.594 7.341 -10.020 1.00 3.40 C ATOM 806 O ALA A 75 -18.737 6.894 -9.257 1.00 44.44 O ATOM 807 CB ALA A 75 -21.309 9.150 -9.811 1.00 21.12 C ATOM 0 H ALA A 75 -20.215 7.237 -7.613 1.00 42.23 H new ATOM 0 HA ALA A 75 -21.705 7.059 -10.026 1.00 34.04 H new ATOM 0 HB1 ALA A 75 -21.219 9.328 -10.883 1.00 21.12 H new ATOM 0 HB2 ALA A 75 -22.327 9.371 -9.491 1.00 21.12 H new ATOM 0 HB3 ALA A 75 -20.612 9.796 -9.276 1.00 21.12 H new ATOM 813 N TYR A 76 -19.375 7.544 -11.314 1.00 51.53 N ATOM 814 CA TYR A 76 -18.087 7.245 -11.928 1.00 61.11 C ATOM 815 C TYR A 76 -17.768 8.240 -13.040 1.00 35.02 C ATOM 816 O TYR A 76 -18.574 8.453 -13.946 1.00 52.52 O ATOM 817 CB TYR A 76 -18.083 5.821 -12.487 1.00 33.15 C ATOM 818 CG TYR A 76 -18.831 4.830 -11.623 1.00 53.14 C ATOM 819 CD1 TYR A 76 -20.207 4.674 -11.743 1.00 24.11 C ATOM 820 CD2 TYR A 76 -18.162 4.049 -10.689 1.00 11.20 C ATOM 821 CE1 TYR A 76 -20.894 3.770 -10.956 1.00 0.52 C ATOM 822 CE2 TYR A 76 -18.841 3.142 -9.899 1.00 11.04 C ATOM 823 CZ TYR A 76 -20.207 3.007 -10.035 1.00 61.34 C ATOM 824 OH TYR A 76 -20.888 2.105 -9.250 1.00 62.44 O ATOM 0 H TYR A 76 -20.073 7.915 -11.959 1.00 51.53 H new ATOM 0 HA TYR A 76 -17.319 7.329 -11.159 1.00 61.11 H new ATOM 0 HB2 TYR A 76 -18.526 5.829 -13.483 1.00 33.15 H new ATOM 0 HB3 TYR A 76 -17.052 5.487 -12.600 1.00 33.15 H new ATOM 0 HD1 TYR A 76 -20.748 5.269 -12.463 1.00 24.11 H new ATOM 0 HD2 TYR A 76 -17.093 4.153 -10.579 1.00 11.20 H new ATOM 0 HE1 TYR A 76 -21.963 3.661 -11.061 1.00 0.52 H new ATOM 0 HE2 TYR A 76 -18.305 2.542 -9.179 1.00 11.04 H new ATOM 0 HH TYR A 76 -20.258 1.648 -8.655 1.00 62.44 H new ATOM 834 N ILE A 77 -16.588 8.845 -12.963 1.00 11.11 N ATOM 835 CA ILE A 77 -16.161 9.816 -13.963 1.00 14.13 C ATOM 836 C ILE A 77 -15.036 9.258 -14.826 1.00 65.53 C ATOM 837 O ILE A 77 -13.889 9.167 -14.388 1.00 22.32 O ATOM 838 CB ILE A 77 -15.689 11.128 -13.308 1.00 63.40 C ATOM 839 CG1 ILE A 77 -16.720 11.615 -12.289 1.00 15.12 C ATOM 840 CG2 ILE A 77 -15.441 12.190 -14.369 1.00 30.23 C ATOM 841 CD1 ILE A 77 -16.350 12.927 -11.634 1.00 42.41 C ATOM 0 H ILE A 77 -15.910 8.680 -12.219 1.00 11.11 H new ATOM 0 HA ILE A 77 -17.027 10.024 -14.591 1.00 14.13 H new ATOM 0 HB ILE A 77 -14.752 10.939 -12.785 1.00 63.40 H new ATOM 0 HG12 ILE A 77 -17.685 11.725 -12.785 1.00 15.12 H new ATOM 0 HG13 ILE A 77 -16.843 10.855 -11.517 1.00 15.12 H new ATOM 0 HG21 ILE A 77 -15.108 13.111 -13.891 1.00 30.23 H new ATOM 0 HG22 ILE A 77 -14.673 11.842 -15.060 1.00 30.23 H new ATOM 0 HG23 ILE A 77 -16.364 12.379 -14.917 1.00 30.23 H new ATOM 0 HD11 ILE A 77 -17.126 13.211 -10.924 1.00 42.41 H new ATOM 0 HD12 ILE A 77 -15.401 12.817 -11.109 1.00 42.41 H new ATOM 0 HD13 ILE A 77 -16.256 13.700 -12.396 1.00 42.41 H new ATOM 853 N VAL A 78 -15.370 8.886 -16.058 1.00 34.42 N ATOM 854 CA VAL A 78 -14.387 8.338 -16.985 1.00 53.51 C ATOM 855 C VAL A 78 -13.611 9.450 -17.682 1.00 1.21 C ATOM 856 O VAL A 78 -14.197 10.334 -18.307 1.00 14.00 O ATOM 857 CB VAL A 78 -15.055 7.448 -18.050 1.00 1.20 C ATOM 858 CG1 VAL A 78 -14.004 6.784 -18.927 1.00 2.45 C ATOM 859 CG2 VAL A 78 -15.946 6.407 -17.390 1.00 71.45 C ATOM 0 H VAL A 78 -16.314 8.954 -16.437 1.00 34.42 H new ATOM 0 HA VAL A 78 -13.699 7.732 -16.396 1.00 53.51 H new ATOM 0 HB VAL A 78 -15.679 8.077 -18.686 1.00 1.20 H new ATOM 0 HG11 VAL A 78 -14.495 6.159 -19.673 1.00 2.45 H new ATOM 0 HG12 VAL A 78 -13.411 7.550 -19.428 1.00 2.45 H new ATOM 0 HG13 VAL A 78 -13.352 6.167 -18.309 1.00 2.45 H new ATOM 0 HG21 VAL A 78 -16.410 5.787 -18.157 1.00 71.45 H new ATOM 0 HG22 VAL A 78 -15.346 5.780 -16.730 1.00 71.45 H new ATOM 0 HG23 VAL A 78 -16.721 6.907 -16.809 1.00 71.45 H new ATOM 869 N PHE A 79 -12.288 9.400 -17.571 1.00 23.44 N ATOM 870 CA PHE A 79 -11.430 10.403 -18.190 1.00 25.02 C ATOM 871 C PHE A 79 -10.718 9.831 -19.413 1.00 34.34 C ATOM 872 O PHE A 79 -10.907 8.667 -19.765 1.00 62.22 O ATOM 873 CB PHE A 79 -10.400 10.917 -17.181 1.00 70.22 C ATOM 874 CG PHE A 79 -10.978 11.852 -16.158 1.00 53.33 C ATOM 875 CD1 PHE A 79 -11.145 13.197 -16.446 1.00 3.42 C ATOM 876 CD2 PHE A 79 -11.355 11.387 -14.909 1.00 21.42 C ATOM 877 CE1 PHE A 79 -11.677 14.061 -15.507 1.00 22.02 C ATOM 878 CE2 PHE A 79 -11.888 12.245 -13.966 1.00 40.21 C ATOM 879 CZ PHE A 79 -12.048 13.584 -14.265 1.00 0.21 C ATOM 0 H PHE A 79 -11.786 8.675 -17.058 1.00 23.44 H new ATOM 0 HA PHE A 79 -12.059 11.233 -18.513 1.00 25.02 H new ATOM 0 HB2 PHE A 79 -9.948 10.067 -16.670 1.00 70.22 H new ATOM 0 HB3 PHE A 79 -9.601 11.428 -17.718 1.00 70.22 H new ATOM 0 HD1 PHE A 79 -10.856 13.575 -17.416 1.00 3.42 H new ATOM 0 HD2 PHE A 79 -11.231 10.341 -14.669 1.00 21.42 H new ATOM 0 HE1 PHE A 79 -11.802 15.107 -15.744 1.00 22.02 H new ATOM 0 HE2 PHE A 79 -12.179 11.869 -12.996 1.00 40.21 H new ATOM 0 HZ PHE A 79 -12.462 14.257 -13.529 1.00 0.21 H new ATOM 889 N ALA A 80 -9.901 10.658 -20.055 1.00 50.25 N ATOM 890 CA ALA A 80 -9.160 10.235 -21.238 1.00 15.25 C ATOM 891 C ALA A 80 -8.148 9.149 -20.891 1.00 72.45 C ATOM 892 O ALA A 80 -7.960 8.196 -21.649 1.00 33.21 O ATOM 893 CB ALA A 80 -8.462 11.426 -21.877 1.00 4.14 C ATOM 0 H ALA A 80 -9.735 11.625 -19.777 1.00 50.25 H new ATOM 0 HA ALA A 80 -9.870 9.819 -21.953 1.00 15.25 H new ATOM 0 HB1 ALA A 80 -7.913 11.096 -22.759 1.00 4.14 H new ATOM 0 HB2 ALA A 80 -9.204 12.169 -22.169 1.00 4.14 H new ATOM 0 HB3 ALA A 80 -7.768 11.868 -21.162 1.00 4.14 H new ATOM 899 N THR A 81 -7.497 9.297 -19.742 1.00 45.42 N ATOM 900 CA THR A 81 -6.502 8.330 -19.297 1.00 22.22 C ATOM 901 C THR A 81 -6.179 8.514 -17.818 1.00 72.04 C ATOM 902 O THR A 81 -6.587 9.499 -17.203 1.00 72.24 O ATOM 903 CB THR A 81 -5.201 8.446 -20.113 1.00 24.32 C ATOM 904 OG1 THR A 81 -5.380 9.369 -21.193 1.00 0.15 O ATOM 905 CG2 THR A 81 -4.784 7.090 -20.662 1.00 61.23 C ATOM 0 H THR A 81 -7.641 10.078 -19.102 1.00 45.42 H new ATOM 0 HA THR A 81 -6.932 7.341 -19.452 1.00 22.22 H new ATOM 0 HB THR A 81 -4.415 8.810 -19.452 1.00 24.32 H new ATOM 0 HG1 THR A 81 -4.548 9.438 -21.706 1.00 0.15 H new ATOM 0 HG21 THR A 81 -3.863 7.197 -21.235 1.00 61.23 H new ATOM 0 HG22 THR A 81 -4.620 6.398 -19.836 1.00 61.23 H new ATOM 0 HG23 THR A 81 -5.571 6.702 -21.309 1.00 61.23 H new ATOM 913 N GLN A 82 -5.444 7.561 -17.255 1.00 34.24 N ATOM 914 CA GLN A 82 -5.067 7.619 -15.847 1.00 54.33 C ATOM 915 C GLN A 82 -4.422 8.960 -15.512 1.00 33.12 C ATOM 916 O GLN A 82 -4.536 9.450 -14.389 1.00 31.22 O ATOM 917 CB GLN A 82 -4.107 6.478 -15.507 1.00 11.32 C ATOM 918 CG GLN A 82 -4.312 5.906 -14.113 1.00 41.05 C ATOM 919 CD GLN A 82 -3.119 6.136 -13.207 1.00 64.31 C ATOM 920 OE1 GLN A 82 -2.584 5.197 -12.615 1.00 54.40 O ATOM 921 NE2 GLN A 82 -2.693 7.389 -13.094 1.00 33.52 N ATOM 0 H GLN A 82 -5.098 6.740 -17.751 1.00 34.24 H new ATOM 0 HA GLN A 82 -5.972 7.512 -15.249 1.00 54.33 H new ATOM 0 HB2 GLN A 82 -4.230 5.680 -16.240 1.00 11.32 H new ATOM 0 HB3 GLN A 82 -3.082 6.838 -15.596 1.00 11.32 H new ATOM 0 HG2 GLN A 82 -5.196 6.359 -13.665 1.00 41.05 H new ATOM 0 HG3 GLN A 82 -4.505 4.836 -14.188 1.00 41.05 H new ATOM 0 HE21 GLN A 82 -3.166 8.136 -13.602 1.00 33.52 H new ATOM 0 HE22 GLN A 82 -1.893 7.604 -12.499 1.00 33.52 H new ATOM 930 N GLU A 83 -3.745 9.547 -16.493 1.00 42.33 N ATOM 931 CA GLU A 83 -3.081 10.831 -16.300 1.00 63.04 C ATOM 932 C GLU A 83 -4.069 11.888 -15.817 1.00 35.12 C ATOM 933 O GLU A 83 -3.827 12.571 -14.822 1.00 10.10 O ATOM 934 CB GLU A 83 -2.422 11.291 -17.603 1.00 35.40 C ATOM 935 CG GLU A 83 -0.924 11.045 -17.647 1.00 63.45 C ATOM 936 CD GLU A 83 -0.144 12.042 -16.814 1.00 3.44 C ATOM 937 OE1 GLU A 83 -0.760 13.001 -16.304 1.00 34.02 O ATOM 938 OE2 GLU A 83 1.084 11.864 -16.671 1.00 22.21 O ATOM 0 H GLU A 83 -3.642 9.155 -17.429 1.00 42.33 H new ATOM 0 HA GLU A 83 -2.312 10.702 -15.538 1.00 63.04 H new ATOM 0 HB2 GLU A 83 -2.891 10.774 -18.440 1.00 35.40 H new ATOM 0 HB3 GLU A 83 -2.611 12.356 -17.740 1.00 35.40 H new ATOM 0 HG2 GLU A 83 -0.715 10.037 -17.290 1.00 63.45 H new ATOM 0 HG3 GLU A 83 -0.582 11.095 -18.681 1.00 63.45 H new ATOM 945 N SER A 84 -5.184 12.016 -16.529 1.00 15.52 N ATOM 946 CA SER A 84 -6.209 12.993 -16.176 1.00 24.32 C ATOM 947 C SER A 84 -6.973 12.552 -14.931 1.00 72.13 C ATOM 948 O SER A 84 -7.221 13.349 -14.027 1.00 25.22 O ATOM 949 CB SER A 84 -7.179 13.189 -17.342 1.00 14.12 C ATOM 950 OG SER A 84 -6.831 14.328 -18.109 1.00 44.14 O ATOM 0 H SER A 84 -5.401 11.456 -17.353 1.00 15.52 H new ATOM 0 HA SER A 84 -5.715 13.941 -15.961 1.00 24.32 H new ATOM 0 HB2 SER A 84 -7.173 12.303 -17.977 1.00 14.12 H new ATOM 0 HB3 SER A 84 -8.194 13.300 -16.960 1.00 14.12 H new ATOM 0 HG SER A 84 -7.465 14.430 -18.849 1.00 44.14 H new ATOM 956 N ALA A 85 -7.345 11.277 -14.894 1.00 22.53 N ATOM 957 CA ALA A 85 -8.079 10.728 -13.760 1.00 54.04 C ATOM 958 C ALA A 85 -7.355 11.010 -12.448 1.00 54.34 C ATOM 959 O ALA A 85 -7.960 11.481 -11.485 1.00 63.01 O ATOM 960 CB ALA A 85 -8.286 9.231 -13.940 1.00 11.30 C ATOM 0 H ALA A 85 -7.150 10.605 -15.636 1.00 22.53 H new ATOM 0 HA ALA A 85 -9.053 11.216 -13.719 1.00 54.04 H new ATOM 0 HB1 ALA A 85 -8.835 8.834 -13.086 1.00 11.30 H new ATOM 0 HB2 ALA A 85 -8.854 9.049 -14.853 1.00 11.30 H new ATOM 0 HB3 ALA A 85 -7.318 8.736 -14.010 1.00 11.30 H new ATOM 966 N GLN A 86 -6.059 10.719 -12.419 1.00 0.13 N ATOM 967 CA GLN A 86 -5.254 10.941 -11.223 1.00 61.13 C ATOM 968 C GLN A 86 -5.260 12.414 -10.829 1.00 4.12 C ATOM 969 O GLN A 86 -5.389 12.751 -9.652 1.00 52.14 O ATOM 970 CB GLN A 86 -3.818 10.468 -11.455 1.00 43.32 C ATOM 971 CG GLN A 86 -2.862 10.857 -10.339 1.00 22.52 C ATOM 972 CD GLN A 86 -1.499 10.210 -10.486 1.00 63.43 C ATOM 973 OE1 GLN A 86 -1.002 10.029 -11.598 1.00 64.12 O ATOM 974 NE2 GLN A 86 -0.886 9.857 -9.362 1.00 62.13 N ATOM 0 H GLN A 86 -5.544 10.329 -13.209 1.00 0.13 H new ATOM 0 HA GLN A 86 -5.692 10.364 -10.408 1.00 61.13 H new ATOM 0 HB2 GLN A 86 -3.815 9.383 -11.564 1.00 43.32 H new ATOM 0 HB3 GLN A 86 -3.455 10.884 -12.395 1.00 43.32 H new ATOM 0 HG2 GLN A 86 -2.746 11.941 -10.326 1.00 22.52 H new ATOM 0 HG3 GLN A 86 -3.294 10.572 -9.380 1.00 22.52 H new ATOM 0 HE21 GLN A 86 -1.335 10.026 -8.462 1.00 62.13 H new ATOM 0 HE22 GLN A 86 0.034 9.417 -9.399 1.00 62.13 H new ATOM 983 N ALA A 87 -5.118 13.288 -11.820 1.00 62.43 N ATOM 984 CA ALA A 87 -5.108 14.725 -11.577 1.00 32.32 C ATOM 985 C ALA A 87 -6.391 15.173 -10.884 1.00 24.43 C ATOM 986 O ALA A 87 -6.355 15.964 -9.941 1.00 61.20 O ATOM 987 CB ALA A 87 -4.921 15.480 -12.884 1.00 41.30 C ATOM 0 H ALA A 87 -5.008 13.025 -12.800 1.00 62.43 H new ATOM 0 HA ALA A 87 -4.271 14.951 -10.917 1.00 32.32 H new ATOM 0 HB1 ALA A 87 -4.916 16.552 -12.687 1.00 41.30 H new ATOM 0 HB2 ALA A 87 -3.974 15.190 -13.340 1.00 41.30 H new ATOM 0 HB3 ALA A 87 -5.739 15.240 -13.563 1.00 41.30 H new ATOM 993 N PHE A 88 -7.523 14.662 -11.357 1.00 3.30 N ATOM 994 CA PHE A 88 -8.817 15.011 -10.783 1.00 52.55 C ATOM 995 C PHE A 88 -8.978 14.403 -9.394 1.00 33.34 C ATOM 996 O PHE A 88 -9.402 15.076 -8.454 1.00 25.02 O ATOM 997 CB PHE A 88 -9.949 14.534 -11.696 1.00 64.21 C ATOM 998 CG PHE A 88 -11.319 14.852 -11.169 1.00 44.01 C ATOM 999 CD1 PHE A 88 -11.915 14.040 -10.218 1.00 73.00 C ATOM 1000 CD2 PHE A 88 -12.010 15.963 -11.624 1.00 44.32 C ATOM 1001 CE1 PHE A 88 -13.176 14.330 -9.732 1.00 52.21 C ATOM 1002 CE2 PHE A 88 -13.271 16.259 -11.142 1.00 23.24 C ATOM 1003 CZ PHE A 88 -13.854 15.442 -10.194 1.00 32.45 C ATOM 0 H PHE A 88 -7.570 14.005 -12.136 1.00 3.30 H new ATOM 0 HA PHE A 88 -8.865 16.096 -10.692 1.00 52.55 H new ATOM 0 HB2 PHE A 88 -9.831 14.993 -12.678 1.00 64.21 H new ATOM 0 HB3 PHE A 88 -9.863 13.456 -11.835 1.00 64.21 H new ATOM 0 HD1 PHE A 88 -11.389 13.171 -9.852 1.00 73.00 H new ATOM 0 HD2 PHE A 88 -11.558 16.606 -12.365 1.00 44.32 H new ATOM 0 HE1 PHE A 88 -13.631 13.688 -8.992 1.00 52.21 H new ATOM 0 HE2 PHE A 88 -13.799 17.128 -11.506 1.00 23.24 H new ATOM 0 HZ PHE A 88 -14.839 15.672 -9.814 1.00 32.45 H new ATOM 1013 N VAL A 89 -8.638 13.124 -9.271 1.00 60.42 N ATOM 1014 CA VAL A 89 -8.744 12.423 -7.997 1.00 62.20 C ATOM 1015 C VAL A 89 -7.940 13.131 -6.912 1.00 71.31 C ATOM 1016 O VAL A 89 -8.349 13.174 -5.752 1.00 51.54 O ATOM 1017 CB VAL A 89 -8.255 10.967 -8.115 1.00 33.11 C ATOM 1018 CG1 VAL A 89 -8.302 10.276 -6.760 1.00 51.44 C ATOM 1019 CG2 VAL A 89 -9.086 10.208 -9.138 1.00 72.25 C ATOM 0 H VAL A 89 -8.287 12.552 -10.039 1.00 60.42 H new ATOM 0 HA VAL A 89 -9.799 12.423 -7.722 1.00 62.20 H new ATOM 0 HB VAL A 89 -7.220 10.976 -8.456 1.00 33.11 H new ATOM 0 HG11 VAL A 89 -7.953 9.249 -6.863 1.00 51.44 H new ATOM 0 HG12 VAL A 89 -7.661 10.808 -6.058 1.00 51.44 H new ATOM 0 HG13 VAL A 89 -9.326 10.276 -6.387 1.00 51.44 H new ATOM 0 HG21 VAL A 89 -8.727 9.181 -9.209 1.00 72.25 H new ATOM 0 HG22 VAL A 89 -10.131 10.207 -8.829 1.00 72.25 H new ATOM 0 HG23 VAL A 89 -8.996 10.692 -10.111 1.00 72.25 H new ATOM 1029 N GLU A 90 -6.795 13.684 -7.298 1.00 4.21 N ATOM 1030 CA GLU A 90 -5.933 14.390 -6.357 1.00 12.32 C ATOM 1031 C GLU A 90 -6.340 15.857 -6.241 1.00 60.45 C ATOM 1032 O GLU A 90 -6.034 16.520 -5.252 1.00 11.55 O ATOM 1033 CB GLU A 90 -4.471 14.288 -6.795 1.00 4.44 C ATOM 1034 CG GLU A 90 -4.134 15.154 -7.997 1.00 65.22 C ATOM 1035 CD GLU A 90 -2.660 15.109 -8.354 1.00 34.22 C ATOM 1036 OE1 GLU A 90 -2.157 14.006 -8.654 1.00 24.04 O ATOM 1037 OE2 GLU A 90 -2.011 16.175 -8.333 1.00 14.42 O ATOM 0 H GLU A 90 -6.443 13.657 -8.255 1.00 4.21 H new ATOM 0 HA GLU A 90 -6.045 13.921 -5.379 1.00 12.32 H new ATOM 0 HB2 GLU A 90 -3.830 14.573 -5.961 1.00 4.44 H new ATOM 0 HB3 GLU A 90 -4.243 13.249 -7.031 1.00 4.44 H new ATOM 0 HG2 GLU A 90 -4.722 14.824 -8.854 1.00 65.22 H new ATOM 0 HG3 GLU A 90 -4.423 16.185 -7.790 1.00 65.22 H new ATOM 1044 N ALA A 91 -7.031 16.355 -7.262 1.00 30.34 N ATOM 1045 CA ALA A 91 -7.481 17.741 -7.275 1.00 12.02 C ATOM 1046 C ALA A 91 -8.635 17.953 -6.301 1.00 21.15 C ATOM 1047 O ALA A 91 -8.849 19.061 -5.808 1.00 74.22 O ATOM 1048 CB ALA A 91 -7.894 18.148 -8.681 1.00 51.45 C ATOM 0 H ALA A 91 -7.291 15.819 -8.090 1.00 30.34 H new ATOM 0 HA ALA A 91 -6.650 18.370 -6.955 1.00 12.02 H new ATOM 0 HB1 ALA A 91 -8.228 19.186 -8.676 1.00 51.45 H new ATOM 0 HB2 ALA A 91 -7.043 18.044 -9.355 1.00 51.45 H new ATOM 0 HB3 ALA A 91 -8.707 17.507 -9.021 1.00 51.45 H new ATOM 1054 N PHE A 92 -9.376 16.884 -6.027 1.00 1.33 N ATOM 1055 CA PHE A 92 -10.510 16.954 -5.112 1.00 65.01 C ATOM 1056 C PHE A 92 -10.350 15.954 -3.971 1.00 4.15 C ATOM 1057 O PHE A 92 -11.256 15.775 -3.158 1.00 10.55 O ATOM 1058 CB PHE A 92 -11.815 16.684 -5.863 1.00 31.52 C ATOM 1059 CG PHE A 92 -12.250 17.823 -6.739 1.00 0.41 C ATOM 1060 CD1 PHE A 92 -11.458 18.244 -7.795 1.00 72.23 C ATOM 1061 CD2 PHE A 92 -13.450 18.475 -6.506 1.00 34.24 C ATOM 1062 CE1 PHE A 92 -11.856 19.292 -8.604 1.00 4.22 C ATOM 1063 CE2 PHE A 92 -13.853 19.523 -7.311 1.00 12.42 C ATOM 1064 CZ PHE A 92 -13.054 19.933 -8.360 1.00 53.44 C ATOM 0 H PHE A 92 -9.212 15.959 -6.425 1.00 1.33 H new ATOM 0 HA PHE A 92 -10.543 17.958 -4.689 1.00 65.01 H new ATOM 0 HB2 PHE A 92 -11.694 15.791 -6.476 1.00 31.52 H new ATOM 0 HB3 PHE A 92 -12.603 16.470 -5.141 1.00 31.52 H new ATOM 0 HD1 PHE A 92 -10.519 17.748 -7.988 1.00 72.23 H new ATOM 0 HD2 PHE A 92 -14.078 18.160 -5.685 1.00 34.24 H new ATOM 0 HE1 PHE A 92 -11.231 19.609 -9.426 1.00 4.22 H new ATOM 0 HE2 PHE A 92 -14.792 20.021 -7.120 1.00 12.42 H new ATOM 0 HZ PHE A 92 -13.366 20.754 -8.989 1.00 53.44 H new ATOM 1074 N GLN A 93 -9.191 15.305 -3.918 1.00 42.31 N ATOM 1075 CA GLN A 93 -8.912 14.323 -2.878 1.00 35.45 C ATOM 1076 C GLN A 93 -9.291 14.863 -1.503 1.00 14.43 C ATOM 1077 O GLN A 93 -9.722 14.114 -0.627 1.00 2.20 O ATOM 1078 CB GLN A 93 -7.433 13.934 -2.896 1.00 11.31 C ATOM 1079 CG GLN A 93 -6.983 13.195 -1.646 1.00 44.13 C ATOM 1080 CD GLN A 93 -5.529 12.771 -1.712 1.00 23.54 C ATOM 1081 OE1 GLN A 93 -4.691 13.470 -2.281 1.00 43.04 O ATOM 1082 NE2 GLN A 93 -5.221 11.619 -1.127 1.00 32.33 N ATOM 0 H GLN A 93 -8.430 15.442 -4.584 1.00 42.31 H new ATOM 0 HA GLN A 93 -9.515 13.438 -3.080 1.00 35.45 H new ATOM 0 HB2 GLN A 93 -7.241 13.308 -3.767 1.00 11.31 H new ATOM 0 HB3 GLN A 93 -6.830 14.835 -3.012 1.00 11.31 H new ATOM 0 HG2 GLN A 93 -7.132 13.835 -0.776 1.00 44.13 H new ATOM 0 HG3 GLN A 93 -7.609 12.314 -1.504 1.00 44.13 H new ATOM 0 HE21 GLN A 93 -5.947 11.071 -0.666 1.00 32.33 H new ATOM 0 HE22 GLN A 93 -4.258 11.283 -1.138 1.00 32.33 H new ATOM 1091 N GLY A 94 -9.128 16.170 -1.320 1.00 42.34 N ATOM 1092 CA GLY A 94 -9.457 16.789 -0.050 1.00 21.15 C ATOM 1093 C GLY A 94 -10.187 18.106 -0.218 1.00 12.50 C ATOM 1094 O GLY A 94 -9.661 19.165 0.127 1.00 24.41 O ATOM 0 H GLY A 94 -8.774 16.811 -2.030 1.00 42.34 H new ATOM 0 HA2 GLY A 94 -10.075 16.107 0.534 1.00 21.15 H new ATOM 0 HA3 GLY A 94 -8.541 16.955 0.518 1.00 21.15 H new ATOM 1098 N TYR A 95 -11.402 18.043 -0.751 1.00 51.51 N ATOM 1099 CA TYR A 95 -12.204 19.241 -0.969 1.00 14.43 C ATOM 1100 C TYR A 95 -13.674 18.978 -0.653 1.00 5.12 C ATOM 1101 O TYR A 95 -14.240 17.949 -1.021 1.00 65.40 O ATOM 1102 CB TYR A 95 -12.060 19.722 -2.414 1.00 30.22 C ATOM 1103 CG TYR A 95 -12.938 20.906 -2.749 1.00 13.13 C ATOM 1104 CD1 TYR A 95 -14.268 20.729 -3.112 1.00 43.10 C ATOM 1105 CD2 TYR A 95 -12.439 22.202 -2.703 1.00 23.30 C ATOM 1106 CE1 TYR A 95 -15.074 21.808 -3.420 1.00 1.13 C ATOM 1107 CE2 TYR A 95 -13.238 23.287 -3.007 1.00 62.45 C ATOM 1108 CZ TYR A 95 -14.554 23.085 -3.365 1.00 75.34 C ATOM 1109 OH TYR A 95 -15.353 24.163 -3.671 1.00 34.31 O ATOM 0 H TYR A 95 -11.853 17.175 -1.040 1.00 51.51 H new ATOM 0 HA TYR A 95 -11.840 20.018 -0.297 1.00 14.43 H new ATOM 0 HB2 TYR A 95 -11.019 19.989 -2.597 1.00 30.22 H new ATOM 0 HB3 TYR A 95 -12.301 18.900 -3.087 1.00 30.22 H new ATOM 0 HD1 TYR A 95 -14.678 19.731 -3.154 1.00 43.10 H new ATOM 0 HD2 TYR A 95 -11.408 22.364 -2.425 1.00 23.30 H new ATOM 0 HE1 TYR A 95 -16.105 21.653 -3.702 1.00 1.13 H new ATOM 0 HE2 TYR A 95 -12.834 24.288 -2.964 1.00 62.45 H new ATOM 0 HH TYR A 95 -14.835 24.990 -3.583 1.00 34.31 H new ATOM 1119 N PRO A 96 -14.307 19.931 0.046 1.00 54.50 N ATOM 1120 CA PRO A 96 -15.719 19.827 0.427 1.00 52.43 C ATOM 1121 C PRO A 96 -16.653 19.948 -0.772 1.00 53.05 C ATOM 1122 O PRO A 96 -16.880 21.043 -1.288 1.00 62.11 O ATOM 1123 CB PRO A 96 -15.917 21.009 1.380 1.00 75.41 C ATOM 1124 CG PRO A 96 -14.873 21.994 0.984 1.00 51.41 C ATOM 1125 CD PRO A 96 -13.695 21.185 0.518 1.00 62.32 C ATOM 0 HA PRO A 96 -15.951 18.859 0.872 1.00 52.43 H new ATOM 0 HB2 PRO A 96 -16.917 21.432 1.284 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -15.799 20.703 2.420 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -15.235 22.648 0.191 1.00 51.41 H new ATOM 0 HG3 PRO A 96 -14.600 22.632 1.824 1.00 51.41 H new ATOM 0 HD2 PRO A 96 -13.150 21.691 -0.279 1.00 62.32 H new ATOM 0 HD3 PRO A 96 -12.985 21.007 1.326 1.00 62.32 H new ATOM 1133 N PHE A 97 -17.194 18.816 -1.212 1.00 3.31 N ATOM 1134 CA PHE A 97 -18.104 18.795 -2.351 1.00 45.43 C ATOM 1135 C PHE A 97 -19.378 18.026 -2.016 1.00 1.23 C ATOM 1136 O PHE A 97 -19.350 17.065 -1.247 1.00 53.24 O ATOM 1137 CB PHE A 97 -17.419 18.165 -3.566 1.00 50.31 C ATOM 1138 CG PHE A 97 -18.279 18.150 -4.797 1.00 61.45 C ATOM 1139 CD1 PHE A 97 -18.737 19.333 -5.354 1.00 2.11 C ATOM 1140 CD2 PHE A 97 -18.629 16.952 -5.399 1.00 22.50 C ATOM 1141 CE1 PHE A 97 -19.529 19.321 -6.486 1.00 42.24 C ATOM 1142 CE2 PHE A 97 -19.420 16.933 -6.532 1.00 52.41 C ATOM 1143 CZ PHE A 97 -19.870 18.120 -7.077 1.00 1.10 C ATOM 0 H PHE A 97 -17.018 17.901 -0.797 1.00 3.31 H new ATOM 0 HA PHE A 97 -18.374 19.824 -2.587 1.00 45.43 H new ATOM 0 HB2 PHE A 97 -16.501 18.712 -3.780 1.00 50.31 H new ATOM 0 HB3 PHE A 97 -17.131 17.143 -3.321 1.00 50.31 H new ATOM 0 HD1 PHE A 97 -18.472 20.275 -4.898 1.00 2.11 H new ATOM 0 HD2 PHE A 97 -18.279 16.021 -4.977 1.00 22.50 H new ATOM 0 HE1 PHE A 97 -19.881 20.250 -6.909 1.00 42.24 H new ATOM 0 HE2 PHE A 97 -19.686 15.992 -6.991 1.00 52.41 H new ATOM 0 HZ PHE A 97 -20.487 18.109 -7.963 1.00 1.10 H new ATOM 1153 N GLN A 98 -20.493 18.457 -2.597 1.00 44.31 N ATOM 1154 CA GLN A 98 -21.777 17.810 -2.359 1.00 14.32 C ATOM 1155 C GLN A 98 -22.125 17.820 -0.874 1.00 25.32 C ATOM 1156 O GLN A 98 -22.885 16.978 -0.398 1.00 70.44 O ATOM 1157 CB GLN A 98 -21.752 16.372 -2.880 1.00 15.23 C ATOM 1158 CG GLN A 98 -22.125 16.251 -4.349 1.00 22.35 C ATOM 1159 CD GLN A 98 -23.555 16.672 -4.625 1.00 23.21 C ATOM 1160 OE1 GLN A 98 -23.818 17.453 -5.539 1.00 52.23 O ATOM 1161 NE2 GLN A 98 -24.488 16.155 -3.834 1.00 62.21 N ATOM 0 H GLN A 98 -20.533 19.251 -3.236 1.00 44.31 H new ATOM 0 HA GLN A 98 -22.542 18.370 -2.896 1.00 14.32 H new ATOM 0 HB2 GLN A 98 -20.755 15.958 -2.732 1.00 15.23 H new ATOM 0 HB3 GLN A 98 -22.440 15.768 -2.288 1.00 15.23 H new ATOM 0 HG2 GLN A 98 -21.448 16.865 -4.943 1.00 22.35 H new ATOM 0 HG3 GLN A 98 -21.985 15.219 -4.672 1.00 22.35 H new ATOM 0 HE21 GLN A 98 -24.225 15.511 -3.088 1.00 62.21 H new ATOM 0 HE22 GLN A 98 -25.468 16.402 -3.972 1.00 62.21 H new ATOM 1170 N GLY A 99 -21.561 18.779 -0.145 1.00 60.32 N ATOM 1171 CA GLY A 99 -21.823 18.879 1.279 1.00 43.43 C ATOM 1172 C GLY A 99 -20.553 19.041 2.091 1.00 34.45 C ATOM 1173 O GLY A 99 -20.372 20.044 2.779 1.00 15.33 O ATOM 0 H GLY A 99 -20.928 19.488 -0.515 1.00 60.32 H new ATOM 0 HA2 GLY A 99 -22.481 19.728 1.466 1.00 43.43 H new ATOM 0 HA3 GLY A 99 -22.352 17.986 1.612 1.00 43.43 H new ATOM 1177 N ASN A 100 -19.673 18.048 2.014 1.00 44.34 N ATOM 1178 CA ASN A 100 -18.414 18.084 2.750 1.00 33.21 C ATOM 1179 C ASN A 100 -17.598 16.821 2.493 1.00 21.20 C ATOM 1180 O ASN A 100 -16.481 16.868 1.978 1.00 43.13 O ATOM 1181 CB ASN A 100 -18.681 18.236 4.249 1.00 2.00 C ATOM 1182 CG ASN A 100 -18.299 19.609 4.768 1.00 62.04 C ATOM 1183 OD1 ASN A 100 -17.148 20.030 4.653 1.00 24.21 O ATOM 1184 ND2 ASN A 100 -19.266 20.314 5.342 1.00 12.41 N ATOM 0 H ASN A 100 -19.808 17.209 1.450 1.00 44.34 H new ATOM 0 HA ASN A 100 -17.841 18.943 2.400 1.00 33.21 H new ATOM 0 HB2 ASN A 100 -19.738 18.057 4.447 1.00 2.00 H new ATOM 0 HB3 ASN A 100 -18.121 17.476 4.794 1.00 2.00 H new ATOM 0 HD21 ASN A 100 -19.069 21.245 5.710 1.00 12.41 H new ATOM 0 HD22 ASN A 100 -20.206 19.925 5.415 1.00 12.41 H new ATOM 1191 N PRO A 101 -18.167 15.663 2.860 1.00 55.23 N ATOM 1192 CA PRO A 101 -17.511 14.365 2.678 1.00 41.34 C ATOM 1193 C PRO A 101 -17.414 13.966 1.209 1.00 20.42 C ATOM 1194 O PRO A 101 -18.363 13.426 0.638 1.00 2.40 O ATOM 1195 CB PRO A 101 -18.422 13.397 3.436 1.00 12.22 C ATOM 1196 CG PRO A 101 -19.760 14.053 3.430 1.00 71.53 C ATOM 1197 CD PRO A 101 -19.497 15.532 3.480 1.00 43.12 C ATOM 0 HA PRO A 101 -16.482 14.374 3.039 1.00 41.34 H new ATOM 0 HB2 PRO A 101 -18.457 12.422 2.949 1.00 12.22 H new ATOM 0 HB3 PRO A 101 -18.066 13.233 4.453 1.00 12.22 H new ATOM 0 HG2 PRO A 101 -20.321 13.787 2.534 1.00 71.53 H new ATOM 0 HG3 PRO A 101 -20.355 13.733 4.286 1.00 71.53 H new ATOM 0 HD2 PRO A 101 -20.253 16.093 2.931 1.00 43.12 H new ATOM 0 HD3 PRO A 101 -19.502 15.907 4.504 1.00 43.12 H new ATOM 1205 N LEU A 102 -16.262 14.232 0.603 1.00 14.52 N ATOM 1206 CA LEU A 102 -16.041 13.900 -0.800 1.00 32.21 C ATOM 1207 C LEU A 102 -14.890 12.910 -0.950 1.00 14.00 C ATOM 1208 O LEU A 102 -13.798 13.127 -0.425 1.00 13.22 O ATOM 1209 CB LEU A 102 -15.747 15.167 -1.605 1.00 12.14 C ATOM 1210 CG LEU A 102 -15.292 14.955 -3.049 1.00 34.40 C ATOM 1211 CD1 LEU A 102 -16.458 14.501 -3.914 1.00 62.03 C ATOM 1212 CD2 LEU A 102 -14.676 16.229 -3.607 1.00 23.01 C ATOM 0 H LEU A 102 -15.467 14.677 1.061 1.00 14.52 H new ATOM 0 HA LEU A 102 -16.949 13.435 -1.185 1.00 32.21 H new ATOM 0 HB2 LEU A 102 -16.646 15.783 -1.615 1.00 12.14 H new ATOM 0 HB3 LEU A 102 -14.977 15.735 -1.082 1.00 12.14 H new ATOM 0 HG LEU A 102 -14.532 14.174 -3.059 1.00 34.40 H new ATOM 0 HD11 LEU A 102 -16.116 14.355 -4.939 1.00 62.03 H new ATOM 0 HD12 LEU A 102 -16.855 13.562 -3.527 1.00 62.03 H new ATOM 0 HD13 LEU A 102 -17.240 15.260 -3.897 1.00 62.03 H new ATOM 0 HD21 LEU A 102 -14.358 16.059 -4.636 1.00 23.01 H new ATOM 0 HD22 LEU A 102 -15.414 17.031 -3.583 1.00 23.01 H new ATOM 0 HD23 LEU A 102 -13.814 16.511 -3.003 1.00 23.01 H new ATOM 1224 N VAL A 103 -15.142 11.823 -1.672 1.00 71.22 N ATOM 1225 CA VAL A 103 -14.126 10.801 -1.895 1.00 33.23 C ATOM 1226 C VAL A 103 -13.919 10.547 -3.384 1.00 31.24 C ATOM 1227 O VAL A 103 -14.881 10.428 -4.143 1.00 52.40 O ATOM 1228 CB VAL A 103 -14.504 9.475 -1.207 1.00 4.33 C ATOM 1229 CG1 VAL A 103 -15.725 8.858 -1.870 1.00 72.12 C ATOM 1230 CG2 VAL A 103 -13.328 8.510 -1.231 1.00 34.32 C ATOM 0 H VAL A 103 -16.041 11.627 -2.113 1.00 71.22 H new ATOM 0 HA VAL A 103 -13.199 11.176 -1.461 1.00 33.23 H new ATOM 0 HB VAL A 103 -14.753 9.683 -0.166 1.00 4.33 H new ATOM 0 HG11 VAL A 103 -15.977 7.922 -1.370 1.00 72.12 H new ATOM 0 HG12 VAL A 103 -16.566 9.547 -1.796 1.00 72.12 H new ATOM 0 HG13 VAL A 103 -15.509 8.662 -2.920 1.00 72.12 H new ATOM 0 HG21 VAL A 103 -13.612 7.579 -0.741 1.00 34.32 H new ATOM 0 HG22 VAL A 103 -13.046 8.306 -2.264 1.00 34.32 H new ATOM 0 HG23 VAL A 103 -12.483 8.954 -0.705 1.00 34.32 H new ATOM 1240 N ILE A 104 -12.658 10.464 -3.794 1.00 72.21 N ATOM 1241 CA ILE A 104 -12.325 10.222 -5.192 1.00 41.24 C ATOM 1242 C ILE A 104 -11.219 9.181 -5.322 1.00 25.33 C ATOM 1243 O ILE A 104 -10.140 9.328 -4.745 1.00 53.32 O ATOM 1244 CB ILE A 104 -11.880 11.517 -5.897 1.00 51.41 C ATOM 1245 CG1 ILE A 104 -11.303 12.505 -4.881 1.00 21.55 C ATOM 1246 CG2 ILE A 104 -13.049 12.142 -6.645 1.00 22.50 C ATOM 1247 CD1 ILE A 104 -12.352 13.361 -4.207 1.00 31.33 C ATOM 0 H ILE A 104 -11.851 10.561 -3.178 1.00 72.21 H new ATOM 0 HA ILE A 104 -13.230 9.849 -5.671 1.00 41.24 H new ATOM 0 HB ILE A 104 -11.101 11.270 -6.619 1.00 51.41 H new ATOM 0 HG12 ILE A 104 -10.754 11.951 -4.120 1.00 21.55 H new ATOM 0 HG13 ILE A 104 -10.585 13.153 -5.384 1.00 21.55 H new ATOM 0 HG21 ILE A 104 -12.719 13.056 -7.138 1.00 22.50 H new ATOM 0 HG22 ILE A 104 -13.420 11.440 -7.392 1.00 22.50 H new ATOM 0 HG23 ILE A 104 -13.847 12.377 -5.941 1.00 22.50 H new ATOM 0 HD11 ILE A 104 -11.871 14.037 -3.500 1.00 31.33 H new ATOM 0 HD12 ILE A 104 -12.886 13.942 -4.959 1.00 31.33 H new ATOM 0 HD13 ILE A 104 -13.057 12.722 -3.675 1.00 31.33 H new ATOM 1259 N THR A 105 -11.492 8.127 -6.084 1.00 63.44 N ATOM 1260 CA THR A 105 -10.520 7.060 -6.291 1.00 0.21 C ATOM 1261 C THR A 105 -10.625 6.486 -7.699 1.00 22.20 C ATOM 1262 O THR A 105 -11.580 6.763 -8.424 1.00 15.41 O ATOM 1263 CB THR A 105 -10.709 5.923 -5.269 1.00 63.24 C ATOM 1264 OG1 THR A 105 -11.992 5.313 -5.447 1.00 11.14 O ATOM 1265 CG2 THR A 105 -10.583 6.447 -3.847 1.00 25.42 C ATOM 0 H THR A 105 -12.379 7.989 -6.569 1.00 63.44 H new ATOM 0 HA THR A 105 -9.532 7.501 -6.155 1.00 0.21 H new ATOM 0 HB THR A 105 -9.928 5.181 -5.436 1.00 63.24 H new ATOM 0 HG1 THR A 105 -12.563 5.903 -5.982 1.00 11.14 H new ATOM 0 HG21 THR A 105 -10.720 5.626 -3.143 1.00 25.42 H new ATOM 0 HG22 THR A 105 -9.594 6.884 -3.707 1.00 25.42 H new ATOM 0 HG23 THR A 105 -11.344 7.207 -3.671 1.00 25.42 H new ATOM 1273 N PHE A 106 -9.637 5.683 -8.081 1.00 1.13 N ATOM 1274 CA PHE A 106 -9.618 5.069 -9.403 1.00 52.43 C ATOM 1275 C PHE A 106 -10.528 3.845 -9.448 1.00 12.32 C ATOM 1276 O PHE A 106 -11.279 3.582 -8.509 1.00 10.25 O ATOM 1277 CB PHE A 106 -8.191 4.672 -9.784 1.00 64.32 C ATOM 1278 CG PHE A 106 -7.213 5.810 -9.718 1.00 53.32 C ATOM 1279 CD1 PHE A 106 -6.551 6.104 -8.537 1.00 43.44 C ATOM 1280 CD2 PHE A 106 -6.957 6.586 -10.837 1.00 42.21 C ATOM 1281 CE1 PHE A 106 -5.652 7.152 -8.474 1.00 4.11 C ATOM 1282 CE2 PHE A 106 -6.058 7.635 -10.780 1.00 13.03 C ATOM 1283 CZ PHE A 106 -5.404 7.918 -9.597 1.00 32.43 C ATOM 0 H PHE A 106 -8.839 5.443 -7.493 1.00 1.13 H new ATOM 0 HA PHE A 106 -9.988 5.801 -10.121 1.00 52.43 H new ATOM 0 HB2 PHE A 106 -7.855 3.876 -9.120 1.00 64.32 H new ATOM 0 HB3 PHE A 106 -8.194 4.264 -10.795 1.00 64.32 H new ATOM 0 HD1 PHE A 106 -6.739 5.508 -7.656 1.00 43.44 H new ATOM 0 HD2 PHE A 106 -7.466 6.369 -11.765 1.00 42.21 H new ATOM 0 HE1 PHE A 106 -5.143 7.372 -7.547 1.00 4.11 H new ATOM 0 HE2 PHE A 106 -5.867 8.232 -11.659 1.00 13.03 H new ATOM 0 HZ PHE A 106 -4.700 8.736 -9.550 1.00 32.43 H new