USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot -23:sc= 1.27 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.279 K(o=1.6,f=0.18) USER MOD Set 2.1: A 4 HIS : no HE2:sc= 0.149 K(o=0.29,f=-1.5) USER MOD Set 2.2: A 15 ASN : amide:sc= 0.138 K(o=0.29,f=1.4) USER MOD Single : A 1 MET CE :methyl -140:sc= -1.07 (180deg=-3.81) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 81:sc= 0.951 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 55 CYS SG : rot 165:sc= 0.757 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 69 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.064) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 1.33 (180deg=-0.064) USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.889 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 120:sc= -1.4 USER MOD Single : A 78 GLN : amide:sc= -0.673 K(o=-0.67,f=-3.7!) USER MOD Single : A 92 GLN : amide:sc= 0.117 X(o=0.12,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.192 -4.906 5.478 1.00 0.00 N ATOM 2 CA MET A 1 6.039 -4.832 4.258 1.00 0.00 C ATOM 3 C MET A 1 6.617 -6.222 3.938 1.00 0.00 C ATOM 4 O MET A 1 7.304 -6.822 4.773 1.00 0.00 O ATOM 5 CB MET A 1 7.182 -3.790 4.443 1.00 0.00 C ATOM 6 CG MET A 1 8.048 -3.517 3.188 1.00 0.00 C ATOM 7 SD MET A 1 9.116 -4.899 2.714 1.00 0.00 S ATOM 8 CE MET A 1 9.968 -4.221 1.292 1.00 0.00 C ATOM 0 H1 MET A 1 4.804 -3.964 5.689 1.00 0.00 H new ATOM 0 H2 MET A 1 4.411 -5.574 5.318 1.00 0.00 H new ATOM 0 H3 MET A 1 5.767 -5.232 6.281 1.00 0.00 H new ATOM 0 HA MET A 1 5.421 -4.507 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.741 -2.848 4.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.835 -4.132 5.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.392 -3.276 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.667 -2.639 3.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.063 -4.989 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.400 -3.380 0.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.960 -3.881 1.590 1.00 0.00 H new ATOM 18 N LEU A 2 6.312 -6.729 2.731 1.00 0.00 N ATOM 19 CA LEU A 2 6.883 -7.987 2.204 1.00 0.00 C ATOM 20 C LEU A 2 7.474 -7.770 0.802 1.00 0.00 C ATOM 21 O LEU A 2 7.021 -6.887 0.060 1.00 0.00 O ATOM 22 CB LEU A 2 5.800 -9.113 2.232 1.00 0.00 C ATOM 23 CG LEU A 2 4.408 -8.825 1.566 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.433 -8.927 0.024 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.325 -9.752 2.150 1.00 0.00 C ATOM 0 H LEU A 2 5.660 -6.278 2.089 1.00 0.00 H new ATOM 0 HA LEU A 2 7.706 -8.309 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.224 -9.993 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.621 -9.376 3.275 1.00 0.00 H new ATOM 0 HG LEU A 2 4.165 -7.789 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.439 -8.716 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.143 -8.204 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.734 -9.933 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.368 -9.537 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.597 -10.791 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.243 -9.585 3.224 1.00 0.00 H new ATOM 37 N LEU A 3 8.508 -8.558 0.460 1.00 0.00 N ATOM 38 CA LEU A 3 9.147 -8.544 -0.863 1.00 0.00 C ATOM 39 C LEU A 3 8.223 -9.185 -1.918 1.00 0.00 C ATOM 40 O LEU A 3 8.099 -10.413 -1.963 1.00 0.00 O ATOM 41 CB LEU A 3 10.486 -9.337 -0.783 1.00 0.00 C ATOM 42 CG LEU A 3 11.413 -9.010 0.437 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.622 -9.962 0.496 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.862 -7.532 0.433 1.00 0.00 C ATOM 0 H LEU A 3 8.927 -9.230 1.104 1.00 0.00 H new ATOM 0 HA LEU A 3 9.340 -7.513 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.253 -10.401 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.048 -9.153 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 3 10.824 -9.168 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.244 -9.707 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.272 -10.989 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.207 -9.864 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.503 -7.344 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.414 -7.322 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.986 -6.885 0.485 1.00 0.00 H new ATOM 56 N HIS A 4 7.527 -8.347 -2.714 1.00 0.00 N ATOM 57 CA HIS A 4 6.728 -8.788 -3.890 1.00 0.00 C ATOM 58 C HIS A 4 7.529 -9.677 -4.890 1.00 0.00 C ATOM 59 O HIS A 4 6.927 -10.438 -5.655 1.00 0.00 O ATOM 60 CB HIS A 4 6.131 -7.534 -4.580 1.00 0.00 C ATOM 61 CG HIS A 4 5.259 -7.795 -5.793 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.897 -7.992 -5.717 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.569 -7.882 -7.114 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.409 -8.187 -6.932 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.404 -8.122 -7.795 1.00 0.00 N ATOM 0 H HIS A 4 7.500 -7.339 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 4 5.925 -9.433 -3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.542 -6.985 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.952 -6.883 -4.881 1.00 0.00 H new ATOM 0 HD1 HIS A 4 3.349 -7.988 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.553 -7.781 -7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.372 -8.368 -7.175 1.00 0.00 H new ATOM 74 N SER A 5 8.865 -9.599 -4.854 1.00 0.00 N ATOM 75 CA SER A 5 9.754 -10.488 -5.630 1.00 0.00 C ATOM 76 C SER A 5 11.149 -10.492 -4.989 1.00 0.00 C ATOM 77 O SER A 5 11.664 -9.428 -4.646 1.00 0.00 O ATOM 78 CB SER A 5 9.831 -10.035 -7.111 1.00 0.00 C ATOM 79 OG SER A 5 10.304 -8.705 -7.219 1.00 0.00 O ATOM 0 H SER A 5 9.367 -8.917 -4.285 1.00 0.00 H new ATOM 0 HA SER A 5 9.349 -11.500 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.491 -10.704 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.844 -10.110 -7.568 1.00 0.00 H new ATOM 0 HG SER A 5 10.344 -8.448 -8.164 1.00 0.00 H new ATOM 85 N VAL A 6 11.747 -11.687 -4.820 1.00 0.00 N ATOM 86 CA VAL A 6 13.125 -11.835 -4.292 1.00 0.00 C ATOM 87 C VAL A 6 13.828 -13.038 -4.942 1.00 0.00 C ATOM 88 O VAL A 6 13.231 -14.120 -5.101 1.00 0.00 O ATOM 89 CB VAL A 6 13.148 -11.972 -2.717 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.341 -13.202 -2.229 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.604 -11.988 -2.165 1.00 0.00 C ATOM 0 H VAL A 6 11.295 -12.574 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 6 13.666 -10.925 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 6 12.655 -11.087 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.384 -13.257 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.303 -13.105 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.768 -14.110 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.581 -12.083 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.146 -12.832 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.106 -11.060 -2.437 1.00 0.00 H new ATOM 101 N GLU A 7 15.100 -12.835 -5.325 1.00 0.00 N ATOM 102 CA GLU A 7 15.931 -13.875 -5.940 1.00 0.00 C ATOM 103 C GLU A 7 16.453 -14.837 -4.854 1.00 0.00 C ATOM 104 O GLU A 7 17.055 -14.409 -3.858 1.00 0.00 O ATOM 105 CB GLU A 7 17.104 -13.240 -6.733 1.00 0.00 C ATOM 106 CG GLU A 7 16.654 -12.220 -7.792 1.00 0.00 C ATOM 107 CD GLU A 7 17.833 -11.540 -8.505 1.00 0.00 C ATOM 108 OE1 GLU A 7 18.350 -12.114 -9.490 1.00 0.00 O ATOM 109 OE2 GLU A 7 18.261 -10.441 -8.079 1.00 0.00 O ATOM 0 H GLU A 7 15.579 -11.941 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 7 15.324 -14.444 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.780 -12.749 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.671 -14.032 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.030 -12.722 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.035 -11.459 -7.317 1.00 0.00 H new ATOM 116 N THR A 8 16.186 -16.131 -5.057 1.00 0.00 N ATOM 117 CA THR A 8 16.558 -17.222 -4.134 1.00 0.00 C ATOM 118 C THR A 8 17.447 -18.248 -4.875 1.00 0.00 C ATOM 119 O THR A 8 17.426 -18.275 -6.109 1.00 0.00 O ATOM 120 CB THR A 8 15.267 -17.933 -3.593 1.00 0.00 C ATOM 121 OG1 THR A 8 14.493 -18.453 -4.685 1.00 0.00 O ATOM 122 CG2 THR A 8 14.389 -16.982 -2.776 1.00 0.00 C ATOM 0 H THR A 8 15.693 -16.463 -5.886 1.00 0.00 H new ATOM 0 HA THR A 8 17.111 -16.804 -3.293 1.00 0.00 H new ATOM 0 HB THR A 8 15.597 -18.743 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.691 -18.896 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.507 -17.515 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.954 -16.608 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.080 -16.145 -3.402 1.00 0.00 H new ATOM 130 N PRO A 9 18.259 -19.100 -4.151 1.00 0.00 N ATOM 131 CA PRO A 9 19.015 -20.224 -4.779 1.00 0.00 C ATOM 132 C PRO A 9 18.097 -21.184 -5.580 1.00 0.00 C ATOM 133 O PRO A 9 18.507 -21.763 -6.588 1.00 0.00 O ATOM 134 CB PRO A 9 19.658 -20.949 -3.568 1.00 0.00 C ATOM 135 CG PRO A 9 19.756 -19.898 -2.506 1.00 0.00 C ATOM 136 CD PRO A 9 18.545 -19.004 -2.692 1.00 0.00 C ATOM 0 HA PRO A 9 19.743 -19.869 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.047 -21.789 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.640 -21.349 -3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.762 -20.346 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.680 -19.329 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.700 -19.345 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.755 -17.977 -2.391 1.00 0.00 H new ATOM 144 N ARG A 10 16.846 -21.314 -5.099 1.00 0.00 N ATOM 145 CA ARG A 10 15.814 -22.211 -5.677 1.00 0.00 C ATOM 146 C ARG A 10 15.007 -21.549 -6.820 1.00 0.00 C ATOM 147 O ARG A 10 14.160 -22.210 -7.439 1.00 0.00 O ATOM 148 CB ARG A 10 14.874 -22.709 -4.537 1.00 0.00 C ATOM 149 CG ARG A 10 14.214 -21.585 -3.694 1.00 0.00 C ATOM 150 CD ARG A 10 13.545 -22.103 -2.410 1.00 0.00 C ATOM 151 NE ARG A 10 12.422 -23.020 -2.663 1.00 0.00 N ATOM 152 CZ ARG A 10 11.891 -23.863 -1.762 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.397 -23.986 -0.532 1.00 0.00 N ATOM 154 NH2 ARG A 10 10.854 -24.605 -2.110 1.00 0.00 N ATOM 0 H ARG A 10 16.514 -20.794 -4.287 1.00 0.00 H new ATOM 0 HA ARG A 10 16.325 -23.060 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.087 -23.322 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.446 -23.354 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.971 -20.847 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.469 -21.073 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.291 -22.614 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.187 -21.254 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 10 12.014 -23.015 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.207 -23.432 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.973 -24.634 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.468 -24.533 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.440 -25.250 -1.437 1.00 0.00 H new ATOM 168 N GLY A 11 15.260 -20.253 -7.085 1.00 0.00 N ATOM 169 CA GLY A 11 14.626 -19.532 -8.202 1.00 0.00 C ATOM 170 C GLY A 11 14.273 -18.099 -7.830 1.00 0.00 C ATOM 171 O GLY A 11 15.158 -17.313 -7.511 1.00 0.00 O ATOM 0 H GLY A 11 15.903 -19.682 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.299 -19.528 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.723 -20.060 -8.508 1.00 0.00 H new ATOM 175 N GLU A 12 12.979 -17.746 -7.869 1.00 0.00 N ATOM 176 CA GLU A 12 12.469 -16.449 -7.377 1.00 0.00 C ATOM 177 C GLU A 12 11.145 -16.702 -6.643 1.00 0.00 C ATOM 178 O GLU A 12 10.419 -17.648 -6.974 1.00 0.00 O ATOM 179 CB GLU A 12 12.275 -15.429 -8.542 1.00 0.00 C ATOM 180 CG GLU A 12 11.740 -14.048 -8.100 1.00 0.00 C ATOM 181 CD GLU A 12 11.519 -13.079 -9.270 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.603 -13.319 -10.084 1.00 0.00 O ATOM 183 OE2 GLU A 12 12.260 -12.074 -9.385 1.00 0.00 O ATOM 0 H GLU A 12 12.250 -18.353 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 12 13.197 -16.008 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.230 -15.290 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.586 -15.856 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.799 -14.184 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.443 -13.602 -7.396 1.00 0.00 H new ATOM 190 N ILE A 13 10.826 -15.861 -5.645 1.00 0.00 N ATOM 191 CA ILE A 13 9.617 -16.009 -4.824 1.00 0.00 C ATOM 192 C ILE A 13 8.821 -14.697 -4.892 1.00 0.00 C ATOM 193 O ILE A 13 9.349 -13.629 -4.562 1.00 0.00 O ATOM 194 CB ILE A 13 9.950 -16.351 -3.322 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.906 -17.578 -3.209 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.653 -16.587 -2.512 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.384 -18.877 -3.785 1.00 0.00 C ATOM 0 H ILE A 13 11.401 -15.059 -5.386 1.00 0.00 H new ATOM 0 HA ILE A 13 9.035 -16.842 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 13 10.469 -15.492 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.843 -17.332 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.139 -17.737 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.907 -16.822 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.038 -15.687 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.099 -17.419 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.130 -19.660 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.465 -19.160 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.180 -18.748 -4.848 1.00 0.00 H new ATOM 209 N LEU A 14 7.568 -14.796 -5.339 1.00 0.00 N ATOM 210 CA LEU A 14 6.656 -13.658 -5.470 1.00 0.00 C ATOM 211 C LEU A 14 5.826 -13.499 -4.185 1.00 0.00 C ATOM 212 O LEU A 14 5.100 -14.427 -3.804 1.00 0.00 O ATOM 213 CB LEU A 14 5.733 -13.873 -6.696 1.00 0.00 C ATOM 214 CG LEU A 14 6.465 -14.037 -8.065 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.465 -14.363 -9.192 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.309 -12.783 -8.401 1.00 0.00 C ATOM 0 H LEU A 14 7.152 -15.682 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 14 7.232 -12.745 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.125 -14.760 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.050 -13.027 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 14 7.151 -14.880 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.002 -14.472 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.946 -15.293 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.739 -13.555 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.807 -12.926 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.658 -11.911 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.057 -12.629 -7.623 1.00 0.00 H new ATOM 228 N ASN A 15 5.981 -12.327 -3.530 1.00 0.00 N ATOM 229 CA ASN A 15 5.199 -11.899 -2.351 1.00 0.00 C ATOM 230 C ASN A 15 5.502 -12.781 -1.142 1.00 0.00 C ATOM 231 O ASN A 15 4.845 -13.804 -0.924 1.00 0.00 O ATOM 232 CB ASN A 15 3.679 -11.828 -2.656 1.00 0.00 C ATOM 233 CG ASN A 15 3.344 -10.803 -3.744 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.094 -9.634 -3.453 1.00 0.00 O ATOM 235 ND2 ASN A 15 3.354 -11.230 -5.003 1.00 0.00 N ATOM 0 H ASN A 15 6.673 -11.634 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 15 5.510 -10.885 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.329 -12.812 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.141 -11.573 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.150 -10.581 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.565 -12.206 -5.209 1.00 0.00 H new ATOM 242 N VAL A 16 6.522 -12.376 -0.378 1.00 0.00 N ATOM 243 CA VAL A 16 7.005 -13.117 0.793 1.00 0.00 C ATOM 244 C VAL A 16 7.654 -12.154 1.797 1.00 0.00 C ATOM 245 O VAL A 16 8.319 -11.191 1.394 1.00 0.00 O ATOM 246 CB VAL A 16 8.032 -14.241 0.369 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.263 -13.654 -0.354 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.469 -15.094 1.576 1.00 0.00 C ATOM 0 H VAL A 16 7.041 -11.516 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 16 6.151 -13.601 1.267 1.00 0.00 H new ATOM 0 HB VAL A 16 7.511 -14.890 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.943 -14.461 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.941 -13.130 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.776 -12.956 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.175 -15.856 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.946 -14.455 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.596 -15.575 2.017 1.00 0.00 H new ATOM 258 N SER A 17 7.441 -12.396 3.103 1.00 0.00 N ATOM 259 CA SER A 17 8.120 -11.641 4.165 1.00 0.00 C ATOM 260 C SER A 17 9.626 -11.944 4.138 1.00 0.00 C ATOM 261 O SER A 17 10.028 -13.048 3.762 1.00 0.00 O ATOM 262 CB SER A 17 7.524 -11.996 5.545 1.00 0.00 C ATOM 263 OG SER A 17 7.694 -13.376 5.851 1.00 0.00 O ATOM 0 H SER A 17 6.801 -13.112 3.446 1.00 0.00 H new ATOM 0 HA SER A 17 7.970 -10.575 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.002 -11.391 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.463 -11.748 5.558 1.00 0.00 H new ATOM 0 HG SER A 17 7.307 -13.566 6.731 1.00 0.00 H new ATOM 269 N GLU A 18 10.444 -10.965 4.538 1.00 0.00 N ATOM 270 CA GLU A 18 11.903 -11.147 4.679 1.00 0.00 C ATOM 271 C GLU A 18 12.236 -12.315 5.644 1.00 0.00 C ATOM 272 O GLU A 18 13.271 -12.969 5.500 1.00 0.00 O ATOM 273 CB GLU A 18 12.550 -9.838 5.171 1.00 0.00 C ATOM 274 CG GLU A 18 12.501 -8.674 4.158 1.00 0.00 C ATOM 275 CD GLU A 18 13.190 -7.397 4.662 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.401 -7.462 4.969 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.537 -6.327 4.755 1.00 0.00 O ATOM 0 H GLU A 18 10.121 -10.027 4.773 1.00 0.00 H new ATOM 0 HA GLU A 18 12.311 -11.401 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.052 -9.525 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.591 -10.037 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.974 -8.991 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.460 -8.449 3.925 1.00 0.00 H new ATOM 284 N GLN A 19 11.317 -12.570 6.597 1.00 0.00 N ATOM 285 CA GLN A 19 11.415 -13.676 7.569 1.00 0.00 C ATOM 286 C GLN A 19 11.427 -15.042 6.853 1.00 0.00 C ATOM 287 O GLN A 19 12.393 -15.794 6.966 1.00 0.00 O ATOM 288 CB GLN A 19 10.219 -13.608 8.559 1.00 0.00 C ATOM 289 CG GLN A 19 10.093 -12.279 9.335 1.00 0.00 C ATOM 290 CD GLN A 19 11.286 -11.971 10.256 1.00 0.00 C ATOM 291 OE1 GLN A 19 11.939 -12.876 10.782 1.00 0.00 O ATOM 292 NE2 GLN A 19 11.565 -10.695 10.475 1.00 0.00 N ATOM 0 H GLN A 19 10.475 -12.006 6.714 1.00 0.00 H new ATOM 0 HA GLN A 19 12.351 -13.572 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.296 -13.777 8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.313 -14.423 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.980 -11.463 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.183 -12.306 9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.009 -9.967 10.027 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.336 -10.440 11.092 1.00 0.00 H new ATOM 301 N GLU A 20 10.346 -15.322 6.101 1.00 0.00 N ATOM 302 CA GLU A 20 10.159 -16.610 5.397 1.00 0.00 C ATOM 303 C GLU A 20 11.164 -16.758 4.235 1.00 0.00 C ATOM 304 O GLU A 20 11.659 -17.862 3.969 1.00 0.00 O ATOM 305 CB GLU A 20 8.695 -16.730 4.897 1.00 0.00 C ATOM 306 CG GLU A 20 8.385 -17.994 4.073 1.00 0.00 C ATOM 307 CD GLU A 20 6.897 -18.147 3.710 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.453 -17.565 2.699 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.158 -18.835 4.445 1.00 0.00 O ATOM 0 H GLU A 20 9.578 -14.665 5.963 1.00 0.00 H new ATOM 0 HA GLU A 20 10.353 -17.423 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.030 -16.706 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.462 -15.854 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.973 -17.972 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.705 -18.871 4.636 1.00 0.00 H new ATOM 316 N ALA A 21 11.431 -15.629 3.543 1.00 0.00 N ATOM 317 CA ALA A 21 12.490 -15.532 2.520 1.00 0.00 C ATOM 318 C ALA A 21 13.827 -16.106 3.036 1.00 0.00 C ATOM 319 O ALA A 21 14.418 -16.967 2.386 1.00 0.00 O ATOM 320 CB ALA A 21 12.656 -14.074 2.054 1.00 0.00 C ATOM 0 H ALA A 21 10.916 -14.759 3.680 1.00 0.00 H new ATOM 0 HA ALA A 21 12.187 -16.134 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.441 -14.020 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.718 -13.719 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.927 -13.449 2.905 1.00 0.00 H new ATOM 326 N ARG A 22 14.254 -15.668 4.235 1.00 0.00 N ATOM 327 CA ARG A 22 15.503 -16.154 4.859 1.00 0.00 C ATOM 328 C ARG A 22 15.359 -17.594 5.406 1.00 0.00 C ATOM 329 O ARG A 22 16.277 -18.406 5.259 1.00 0.00 O ATOM 330 CB ARG A 22 15.969 -15.215 6.009 1.00 0.00 C ATOM 331 CG ARG A 22 16.421 -13.809 5.566 1.00 0.00 C ATOM 332 CD ARG A 22 17.034 -12.986 6.715 1.00 0.00 C ATOM 333 NE ARG A 22 18.274 -13.593 7.247 1.00 0.00 N ATOM 334 CZ ARG A 22 18.905 -13.218 8.374 1.00 0.00 C ATOM 335 NH1 ARG A 22 18.420 -12.257 9.154 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.024 -13.830 8.721 1.00 0.00 N ATOM 0 H ARG A 22 13.753 -14.977 4.793 1.00 0.00 H new ATOM 0 HA ARG A 22 16.255 -16.156 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.152 -15.108 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.793 -15.695 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.153 -13.904 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.566 -13.271 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.250 -11.978 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.305 -12.892 7.520 1.00 0.00 H new ATOM 0 HE ARG A 22 18.685 -14.360 6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.551 -11.786 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.917 -11.990 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.399 -14.577 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.512 -13.555 9.573 1.00 0.00 H new ATOM 350 N ASP A 23 14.210 -17.895 6.039 1.00 0.00 N ATOM 351 CA ASP A 23 14.024 -19.142 6.818 1.00 0.00 C ATOM 352 C ASP A 23 13.783 -20.346 5.891 1.00 0.00 C ATOM 353 O ASP A 23 14.603 -21.268 5.816 1.00 0.00 O ATOM 354 CB ASP A 23 12.825 -18.968 7.796 1.00 0.00 C ATOM 355 CG ASP A 23 12.585 -20.182 8.711 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.216 -20.265 9.789 1.00 0.00 O ATOM 357 OD2 ASP A 23 11.758 -21.056 8.366 1.00 0.00 O ATOM 0 H ASP A 23 13.389 -17.290 6.028 1.00 0.00 H new ATOM 0 HA ASP A 23 14.934 -19.336 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.999 -18.088 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.921 -18.778 7.217 1.00 0.00 H new ATOM 362 N VAL A 24 12.660 -20.297 5.166 1.00 0.00 N ATOM 363 CA VAL A 24 12.175 -21.404 4.324 1.00 0.00 C ATOM 364 C VAL A 24 12.943 -21.462 2.995 1.00 0.00 C ATOM 365 O VAL A 24 13.428 -22.521 2.588 1.00 0.00 O ATOM 366 CB VAL A 24 10.624 -21.243 4.063 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.077 -22.334 3.111 1.00 0.00 C ATOM 368 CG2 VAL A 24 9.844 -21.235 5.404 1.00 0.00 C ATOM 0 H VAL A 24 12.052 -19.478 5.145 1.00 0.00 H new ATOM 0 HA VAL A 24 12.349 -22.342 4.851 1.00 0.00 H new ATOM 0 HB VAL A 24 10.475 -20.284 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.008 -22.183 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.591 -22.271 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.247 -23.318 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.778 -21.123 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.018 -22.173 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.187 -20.403 6.019 1.00 0.00 H new ATOM 378 N PHE A 25 13.070 -20.303 2.345 1.00 0.00 N ATOM 379 CA PHE A 25 13.619 -20.210 0.979 1.00 0.00 C ATOM 380 C PHE A 25 15.144 -20.044 0.976 1.00 0.00 C ATOM 381 O PHE A 25 15.797 -20.396 -0.019 1.00 0.00 O ATOM 382 CB PHE A 25 12.924 -19.059 0.216 1.00 0.00 C ATOM 383 CG PHE A 25 11.408 -19.242 0.142 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.857 -20.376 -0.459 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.536 -18.290 0.657 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.489 -20.555 -0.519 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.171 -18.473 0.592 1.00 0.00 C ATOM 388 CZ PHE A 25 8.649 -19.596 -0.003 1.00 0.00 C ATOM 0 H PHE A 25 12.799 -19.404 2.743 1.00 0.00 H new ATOM 0 HA PHE A 25 13.414 -21.150 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.150 -18.113 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.330 -18.999 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.510 -21.124 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.933 -17.395 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.079 -21.447 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.509 -17.730 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.579 -19.726 -0.066 1.00 0.00 H new ATOM 398 N GLY A 26 15.704 -19.533 2.095 1.00 0.00 N ATOM 399 CA GLY A 26 17.150 -19.309 2.213 1.00 0.00 C ATOM 400 C GLY A 26 17.667 -18.334 1.160 1.00 0.00 C ATOM 401 O GLY A 26 18.686 -18.589 0.512 1.00 0.00 O ATOM 0 H GLY A 26 15.172 -19.270 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.377 -18.923 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.673 -20.260 2.114 1.00 0.00 H new ATOM 405 N ALA A 27 16.941 -17.216 1.014 1.00 0.00 N ATOM 406 CA ALA A 27 17.116 -16.255 -0.086 1.00 0.00 C ATOM 407 C ALA A 27 18.461 -15.529 -0.015 1.00 0.00 C ATOM 408 O ALA A 27 19.044 -15.372 1.066 1.00 0.00 O ATOM 409 CB ALA A 27 15.966 -15.240 -0.062 1.00 0.00 C ATOM 0 H ALA A 27 16.204 -16.950 1.667 1.00 0.00 H new ATOM 0 HA ALA A 27 17.104 -16.813 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.093 -14.527 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.017 -15.762 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.969 -14.709 0.890 1.00 0.00 H new ATOM 415 N SER A 28 18.934 -15.086 -1.183 1.00 0.00 N ATOM 416 CA SER A 28 20.123 -14.240 -1.300 1.00 0.00 C ATOM 417 C SER A 28 19.860 -12.908 -0.568 1.00 0.00 C ATOM 418 O SER A 28 18.897 -12.212 -0.899 1.00 0.00 O ATOM 419 CB SER A 28 20.421 -14.009 -2.794 1.00 0.00 C ATOM 420 OG SER A 28 20.499 -15.245 -3.489 1.00 0.00 O ATOM 0 H SER A 28 18.499 -15.306 -2.079 1.00 0.00 H new ATOM 0 HA SER A 28 20.990 -14.718 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 28 19.640 -13.388 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.360 -13.466 -2.903 1.00 0.00 H new ATOM 0 HG SER A 28 20.687 -15.077 -4.436 1.00 0.00 H new ATOM 426 N GLU A 29 20.706 -12.575 0.425 1.00 0.00 N ATOM 427 CA GLU A 29 20.475 -11.419 1.320 1.00 0.00 C ATOM 428 C GLU A 29 20.620 -10.089 0.554 1.00 0.00 C ATOM 429 O GLU A 29 19.962 -9.100 0.880 1.00 0.00 O ATOM 430 CB GLU A 29 21.432 -11.458 2.539 1.00 0.00 C ATOM 431 CG GLU A 29 22.933 -11.379 2.195 1.00 0.00 C ATOM 432 CD GLU A 29 23.833 -11.398 3.438 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.138 -10.310 3.981 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.244 -12.501 3.878 1.00 0.00 O ATOM 0 H GLU A 29 21.561 -13.092 0.631 1.00 0.00 H new ATOM 0 HA GLU A 29 19.452 -11.486 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 29 21.183 -10.630 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.250 -12.378 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 23.197 -12.216 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 29 23.123 -10.467 1.629 1.00 0.00 H new ATOM 441 N GLN A 30 21.492 -10.096 -0.466 1.00 0.00 N ATOM 442 CA GLN A 30 21.698 -8.954 -1.373 1.00 0.00 C ATOM 443 C GLN A 30 20.467 -8.730 -2.273 1.00 0.00 C ATOM 444 O GLN A 30 20.174 -7.593 -2.664 1.00 0.00 O ATOM 445 CB GLN A 30 22.957 -9.191 -2.237 1.00 0.00 C ATOM 446 CG GLN A 30 24.270 -9.356 -1.436 1.00 0.00 C ATOM 447 CD GLN A 30 24.649 -8.126 -0.611 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.261 -7.990 0.554 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.405 -7.221 -1.216 1.00 0.00 N ATOM 0 H GLN A 30 22.079 -10.900 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 30 21.840 -8.057 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.802 -10.084 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.071 -8.354 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.173 -10.213 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.081 -9.581 -2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.706 -7.369 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.686 -6.376 -0.718 1.00 0.00 H new ATOM 458 N ALA A 31 19.762 -9.826 -2.598 1.00 0.00 N ATOM 459 CA ALA A 31 18.491 -9.759 -3.333 1.00 0.00 C ATOM 460 C ALA A 31 17.394 -9.210 -2.417 1.00 0.00 C ATOM 461 O ALA A 31 16.666 -8.330 -2.814 1.00 0.00 O ATOM 462 CB ALA A 31 18.102 -11.125 -3.899 1.00 0.00 C ATOM 0 H ALA A 31 20.054 -10.774 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 31 18.614 -9.084 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.158 -11.041 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.878 -11.471 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.992 -11.839 -3.083 1.00 0.00 H new ATOM 468 N ILE A 32 17.251 -9.793 -1.207 1.00 0.00 N ATOM 469 CA ILE A 32 16.443 -9.201 -0.094 1.00 0.00 C ATOM 470 C ILE A 32 16.729 -7.694 0.140 1.00 0.00 C ATOM 471 O ILE A 32 15.824 -6.947 0.495 1.00 0.00 O ATOM 472 CB ILE A 32 16.690 -9.993 1.258 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.365 -11.511 1.084 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.882 -9.402 2.446 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.751 -12.395 2.264 1.00 0.00 C ATOM 0 H ILE A 32 17.686 -10.683 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 32 15.401 -9.292 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 32 17.748 -9.883 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.295 -11.619 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.877 -11.876 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.086 -9.979 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.176 -8.364 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.817 -9.447 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.485 -13.429 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 32 17.825 -12.325 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.219 -12.064 3.156 1.00 0.00 H new ATOM 487 N ALA A 33 17.976 -7.260 -0.111 1.00 0.00 N ATOM 488 CA ALA A 33 18.393 -5.859 0.113 1.00 0.00 C ATOM 489 C ALA A 33 17.833 -4.966 -1.018 1.00 0.00 C ATOM 490 O ALA A 33 17.148 -3.963 -0.765 1.00 0.00 O ATOM 491 CB ALA A 33 19.929 -5.759 0.206 1.00 0.00 C ATOM 0 H ALA A 33 18.718 -7.860 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 33 17.987 -5.507 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.217 -4.721 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.284 -6.370 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.374 -6.116 -0.723 1.00 0.00 H new ATOM 497 N ASP A 34 18.174 -5.344 -2.267 1.00 0.00 N ATOM 498 CA ASP A 34 17.659 -4.715 -3.508 1.00 0.00 C ATOM 499 C ASP A 34 16.116 -4.668 -3.551 1.00 0.00 C ATOM 500 O ASP A 34 15.525 -3.623 -3.809 1.00 0.00 O ATOM 501 CB ASP A 34 18.185 -5.492 -4.747 1.00 0.00 C ATOM 502 CG ASP A 34 17.691 -4.904 -6.089 1.00 0.00 C ATOM 503 OD1 ASP A 34 17.974 -3.716 -6.367 1.00 0.00 O ATOM 504 OD2 ASP A 34 17.038 -5.632 -6.878 1.00 0.00 O ATOM 0 H ASP A 34 18.826 -6.107 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 34 18.020 -3.687 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.275 -5.487 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.870 -6.533 -4.676 1.00 0.00 H new ATOM 509 N ALA A 35 15.500 -5.820 -3.281 1.00 0.00 N ATOM 510 CA ALA A 35 14.037 -6.017 -3.366 1.00 0.00 C ATOM 511 C ALA A 35 13.313 -5.217 -2.288 1.00 0.00 C ATOM 512 O ALA A 35 12.210 -4.730 -2.514 1.00 0.00 O ATOM 513 CB ALA A 35 13.687 -7.506 -3.247 1.00 0.00 C ATOM 0 H ALA A 35 16.003 -6.659 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 35 13.706 -5.655 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.606 -7.632 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.166 -8.058 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.040 -7.887 -2.289 1.00 0.00 H new ATOM 519 N ARG A 36 13.951 -5.098 -1.110 1.00 0.00 N ATOM 520 CA ARG A 36 13.446 -4.254 -0.016 1.00 0.00 C ATOM 521 C ARG A 36 13.401 -2.805 -0.484 1.00 0.00 C ATOM 522 O ARG A 36 12.348 -2.174 -0.463 1.00 0.00 O ATOM 523 CB ARG A 36 14.343 -4.361 1.231 1.00 0.00 C ATOM 524 CG ARG A 36 13.885 -3.534 2.452 1.00 0.00 C ATOM 525 CD ARG A 36 14.961 -3.502 3.548 1.00 0.00 C ATOM 526 NE ARG A 36 15.451 -4.847 3.876 1.00 0.00 N ATOM 527 CZ ARG A 36 16.718 -5.282 3.737 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.673 -4.491 3.259 1.00 0.00 N ATOM 529 NH2 ARG A 36 17.010 -6.523 4.070 1.00 0.00 N ATOM 0 H ARG A 36 14.823 -5.580 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 36 12.447 -4.597 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.403 -5.409 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.351 -4.048 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.655 -2.516 2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.966 -3.958 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.795 -2.882 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.552 -3.036 4.445 1.00 0.00 H new ATOM 0 HE ARG A 36 14.770 -5.512 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.453 -3.532 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.626 -4.843 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.281 -7.140 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.965 -6.867 3.970 1.00 0.00 H new ATOM 543 N LYS A 37 14.571 -2.324 -0.938 1.00 0.00 N ATOM 544 CA LYS A 37 14.749 -0.977 -1.484 1.00 0.00 C ATOM 545 C LYS A 37 13.750 -0.684 -2.606 1.00 0.00 C ATOM 546 O LYS A 37 13.143 0.369 -2.619 1.00 0.00 O ATOM 547 CB LYS A 37 16.194 -0.817 -2.017 1.00 0.00 C ATOM 548 CG LYS A 37 16.507 0.550 -2.675 1.00 0.00 C ATOM 549 CD LYS A 37 17.885 0.577 -3.370 1.00 0.00 C ATOM 550 CE LYS A 37 17.993 -0.442 -4.524 1.00 0.00 C ATOM 551 NZ LYS A 37 19.267 -0.310 -5.271 1.00 0.00 N ATOM 0 H LYS A 37 15.431 -2.873 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 37 14.568 -0.264 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.888 -0.972 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.385 -1.605 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.732 0.783 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.473 1.330 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.072 1.579 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.662 0.370 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.912 -1.452 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.156 -0.303 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.295 -1.014 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.334 0.645 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.066 -0.469 -4.625 1.00 0.00 H new ATOM 565 N ALA A 38 13.535 -1.669 -3.490 1.00 0.00 N ATOM 566 CA ALA A 38 12.766 -1.483 -4.727 1.00 0.00 C ATOM 567 C ALA A 38 11.255 -1.475 -4.437 1.00 0.00 C ATOM 568 O ALA A 38 10.508 -0.705 -5.050 1.00 0.00 O ATOM 569 CB ALA A 38 13.116 -2.582 -5.743 1.00 0.00 C ATOM 0 H ALA A 38 13.890 -2.617 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 38 13.033 -0.516 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.539 -2.432 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.180 -2.537 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.878 -3.558 -5.320 1.00 0.00 H new ATOM 575 N THR A 39 10.823 -2.338 -3.485 1.00 0.00 N ATOM 576 CA THR A 39 9.408 -2.467 -3.102 1.00 0.00 C ATOM 577 C THR A 39 8.984 -1.239 -2.284 1.00 0.00 C ATOM 578 O THR A 39 7.934 -0.674 -2.549 1.00 0.00 O ATOM 579 CB THR A 39 9.123 -3.800 -2.319 1.00 0.00 C ATOM 580 OG1 THR A 39 9.497 -4.936 -3.126 1.00 0.00 O ATOM 581 CG2 THR A 39 7.641 -3.944 -1.918 1.00 0.00 C ATOM 0 H THR A 39 11.447 -2.958 -2.968 1.00 0.00 H new ATOM 0 HA THR A 39 8.812 -2.514 -4.013 1.00 0.00 H new ATOM 0 HB THR A 39 9.718 -3.762 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.466 -5.072 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.499 -4.881 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.355 -3.111 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.020 -3.942 -2.814 1.00 0.00 H new ATOM 589 N ILE A 40 9.843 -0.812 -1.323 1.00 0.00 N ATOM 590 CA ILE A 40 9.654 0.454 -0.574 1.00 0.00 C ATOM 591 C ILE A 40 9.528 1.620 -1.577 1.00 0.00 C ATOM 592 O ILE A 40 8.482 2.246 -1.663 1.00 0.00 O ATOM 593 CB ILE A 40 10.851 0.720 0.441 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.858 -0.318 1.617 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.823 2.168 0.999 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.673 -0.223 2.562 1.00 0.00 C ATOM 0 H ILE A 40 10.677 -1.331 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 40 8.742 0.375 0.018 1.00 0.00 H new ATOM 0 HB ILE A 40 11.773 0.595 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.888 -1.323 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.774 -0.187 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.656 2.309 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.909 2.877 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.884 2.337 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.767 -0.980 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.650 0.766 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.750 -0.387 2.006 1.00 0.00 H new ATOM 608 N LEU A 41 10.577 1.794 -2.397 1.00 0.00 N ATOM 609 CA LEU A 41 10.703 2.875 -3.408 1.00 0.00 C ATOM 610 C LEU A 41 9.479 2.966 -4.345 1.00 0.00 C ATOM 611 O LEU A 41 9.010 4.067 -4.655 1.00 0.00 O ATOM 612 CB LEU A 41 12.055 2.674 -4.180 1.00 0.00 C ATOM 613 CG LEU A 41 12.226 3.293 -5.614 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.705 3.645 -5.888 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.716 2.323 -6.716 1.00 0.00 C ATOM 0 H LEU A 41 11.387 1.174 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 41 10.723 3.840 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.852 3.076 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.226 1.601 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 41 11.627 4.203 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.798 4.072 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.049 4.369 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.312 2.742 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.849 2.783 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.282 1.392 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.659 2.113 -6.555 1.00 0.00 H new ATOM 627 N GLN A 42 8.946 1.807 -4.749 1.00 0.00 N ATOM 628 CA GLN A 42 7.798 1.731 -5.670 1.00 0.00 C ATOM 629 C GLN A 42 6.504 2.087 -4.914 1.00 0.00 C ATOM 630 O GLN A 42 5.677 2.865 -5.398 1.00 0.00 O ATOM 631 CB GLN A 42 7.712 0.316 -6.289 1.00 0.00 C ATOM 632 CG GLN A 42 6.507 0.086 -7.226 1.00 0.00 C ATOM 633 CD GLN A 42 6.465 -1.301 -7.864 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.964 -2.267 -7.298 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.845 -1.414 -9.031 1.00 0.00 N ATOM 0 H GLN A 42 9.294 0.896 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 42 7.930 2.447 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.629 0.123 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.670 -0.415 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.588 0.242 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.527 0.837 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.440 -0.590 -9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.773 -2.325 -9.484 1.00 0.00 H new ATOM 644 N THR A 43 6.387 1.535 -3.690 1.00 0.00 N ATOM 645 CA THR A 43 5.240 1.742 -2.797 1.00 0.00 C ATOM 646 C THR A 43 5.089 3.227 -2.424 1.00 0.00 C ATOM 647 O THR A 43 3.994 3.719 -2.422 1.00 0.00 O ATOM 648 CB THR A 43 5.351 0.866 -1.493 1.00 0.00 C ATOM 649 OG1 THR A 43 5.325 -0.527 -1.845 1.00 0.00 O ATOM 650 CG2 THR A 43 4.229 1.142 -0.467 1.00 0.00 C ATOM 0 H THR A 43 7.100 0.924 -3.292 1.00 0.00 H new ATOM 0 HA THR A 43 4.351 1.426 -3.342 1.00 0.00 H new ATOM 0 HB THR A 43 6.294 1.138 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.169 -0.771 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.369 0.504 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.265 2.188 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.261 0.930 -0.921 1.00 0.00 H new ATOM 658 N LEU A 44 6.203 3.943 -2.170 1.00 0.00 N ATOM 659 CA LEU A 44 6.157 5.363 -1.717 1.00 0.00 C ATOM 660 C LEU A 44 5.552 6.288 -2.796 1.00 0.00 C ATOM 661 O LEU A 44 4.988 7.340 -2.487 1.00 0.00 O ATOM 662 CB LEU A 44 7.564 5.871 -1.304 1.00 0.00 C ATOM 663 CG LEU A 44 8.349 4.994 -0.279 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.603 5.715 0.246 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.445 4.479 0.865 1.00 0.00 C ATOM 0 H LEU A 44 7.147 3.569 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 44 5.508 5.394 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.170 5.967 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.456 6.871 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 44 8.694 4.111 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.122 5.072 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.267 5.944 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.310 6.641 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.037 3.874 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.019 5.327 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.641 3.873 0.448 1.00 0.00 H new ATOM 677 N ARG A 45 5.688 5.872 -4.060 1.00 0.00 N ATOM 678 CA ARG A 45 5.102 6.574 -5.206 1.00 0.00 C ATOM 679 C ARG A 45 3.592 6.261 -5.279 1.00 0.00 C ATOM 680 O ARG A 45 2.753 7.166 -5.264 1.00 0.00 O ATOM 681 CB ARG A 45 5.835 6.136 -6.508 1.00 0.00 C ATOM 682 CG ARG A 45 7.373 6.347 -6.484 1.00 0.00 C ATOM 683 CD ARG A 45 7.764 7.816 -6.270 1.00 0.00 C ATOM 684 NE ARG A 45 9.229 8.039 -6.252 1.00 0.00 N ATOM 685 CZ ARG A 45 9.837 9.089 -5.660 1.00 0.00 C ATOM 686 NH1 ARG A 45 9.140 9.975 -4.966 1.00 0.00 N ATOM 687 NH2 ARG A 45 11.148 9.242 -5.758 1.00 0.00 N ATOM 0 H ARG A 45 6.210 5.035 -4.317 1.00 0.00 H new ATOM 0 HA ARG A 45 5.222 7.651 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.629 5.081 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.418 6.691 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.807 5.740 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.799 5.995 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.322 8.421 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.340 8.164 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 45 9.819 7.351 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.130 9.869 -4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.613 10.763 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.703 8.565 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.604 10.037 -5.309 1.00 0.00 H new ATOM 701 N ILE A 46 3.277 4.953 -5.286 1.00 0.00 N ATOM 702 CA ILE A 46 1.899 4.428 -5.436 1.00 0.00 C ATOM 703 C ILE A 46 0.979 4.844 -4.262 1.00 0.00 C ATOM 704 O ILE A 46 -0.154 5.243 -4.473 1.00 0.00 O ATOM 705 CB ILE A 46 1.925 2.855 -5.551 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.756 2.396 -6.791 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.494 2.257 -5.610 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.939 0.888 -6.907 1.00 0.00 C ATOM 0 H ILE A 46 3.978 4.218 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 46 1.491 4.862 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 46 2.408 2.477 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.267 2.760 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.738 2.866 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.556 1.172 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.050 2.524 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.031 2.654 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.527 0.660 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.457 0.515 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.963 0.408 -6.985 1.00 0.00 H new ATOM 720 N GLU A 47 1.527 4.773 -3.048 1.00 0.00 N ATOM 721 CA GLU A 47 0.799 4.923 -1.760 1.00 0.00 C ATOM 722 C GLU A 47 0.129 6.306 -1.706 1.00 0.00 C ATOM 723 O GLU A 47 -1.055 6.432 -1.361 1.00 0.00 O ATOM 724 CB GLU A 47 1.810 4.739 -0.573 1.00 0.00 C ATOM 725 CG GLU A 47 1.284 4.048 0.703 1.00 0.00 C ATOM 726 CD GLU A 47 0.075 4.733 1.364 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.273 5.629 2.203 1.00 0.00 O ATOM 728 OE2 GLU A 47 -1.076 4.355 1.069 1.00 0.00 O ATOM 0 H GLU A 47 2.524 4.604 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 47 0.021 4.164 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.661 4.166 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.185 5.724 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.011 3.022 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.095 3.996 1.430 1.00 0.00 H new ATOM 735 N ARG A 48 0.923 7.321 -2.086 1.00 0.00 N ATOM 736 CA ARG A 48 0.477 8.712 -2.213 1.00 0.00 C ATOM 737 C ARG A 48 -0.651 8.833 -3.271 1.00 0.00 C ATOM 738 O ARG A 48 -1.658 9.499 -3.026 1.00 0.00 O ATOM 739 CB ARG A 48 1.676 9.615 -2.597 1.00 0.00 C ATOM 740 CG ARG A 48 1.311 11.095 -2.889 1.00 0.00 C ATOM 741 CD ARG A 48 2.469 11.885 -3.532 1.00 0.00 C ATOM 742 NE ARG A 48 3.062 11.200 -4.706 1.00 0.00 N ATOM 743 CZ ARG A 48 2.424 10.835 -5.841 1.00 0.00 C ATOM 744 NH1 ARG A 48 1.149 11.132 -6.051 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.100 10.190 -6.782 1.00 0.00 N ATOM 0 H ARG A 48 1.908 7.192 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 48 0.078 9.040 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.406 9.589 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.161 9.195 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.445 11.126 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.019 11.582 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.105 12.866 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.246 12.051 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 48 4.057 10.981 -4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.623 11.649 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.694 10.843 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.088 9.976 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.632 9.908 -7.644 1.00 0.00 H new ATOM 759 N ASP A 49 -0.467 8.179 -4.436 1.00 0.00 N ATOM 760 CA ASP A 49 -1.460 8.199 -5.535 1.00 0.00 C ATOM 761 C ASP A 49 -2.788 7.542 -5.118 1.00 0.00 C ATOM 762 O ASP A 49 -3.855 8.017 -5.511 1.00 0.00 O ATOM 763 CB ASP A 49 -0.901 7.507 -6.811 1.00 0.00 C ATOM 764 CG ASP A 49 0.155 8.361 -7.534 1.00 0.00 C ATOM 765 OD1 ASP A 49 -0.203 9.446 -8.047 1.00 0.00 O ATOM 766 OD2 ASP A 49 1.333 7.960 -7.610 1.00 0.00 O ATOM 0 H ASP A 49 0.365 7.626 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.658 9.246 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.461 6.548 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.723 7.297 -7.495 1.00 0.00 H new ATOM 771 N GLU A 50 -2.702 6.467 -4.301 1.00 0.00 N ATOM 772 CA GLU A 50 -3.876 5.683 -3.869 1.00 0.00 C ATOM 773 C GLU A 50 -4.761 6.495 -2.928 1.00 0.00 C ATOM 774 O GLU A 50 -5.974 6.513 -3.089 1.00 0.00 O ATOM 775 CB GLU A 50 -3.460 4.346 -3.198 1.00 0.00 C ATOM 776 CG GLU A 50 -2.697 3.374 -4.118 1.00 0.00 C ATOM 777 CD GLU A 50 -3.459 2.991 -5.398 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.289 2.056 -5.349 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.226 3.608 -6.464 1.00 0.00 O ATOM 0 H GLU A 50 -1.819 6.122 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.448 5.443 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.838 4.568 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.356 3.847 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.745 3.826 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.468 2.467 -3.559 1.00 0.00 H new ATOM 786 N ARG A 51 -4.135 7.167 -1.953 1.00 0.00 N ATOM 787 CA ARG A 51 -4.858 8.008 -0.982 1.00 0.00 C ATOM 788 C ARG A 51 -5.404 9.299 -1.640 1.00 0.00 C ATOM 789 O ARG A 51 -6.399 9.851 -1.174 1.00 0.00 O ATOM 790 CB ARG A 51 -3.966 8.320 0.245 1.00 0.00 C ATOM 791 CG ARG A 51 -2.602 8.940 -0.092 1.00 0.00 C ATOM 792 CD ARG A 51 -1.756 9.253 1.147 1.00 0.00 C ATOM 793 NE ARG A 51 -1.552 8.090 2.022 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.740 8.094 3.350 1.00 0.00 C ATOM 795 NH1 ARG A 51 -2.247 9.157 3.960 1.00 0.00 N ATOM 796 NH2 ARG A 51 -1.429 7.027 4.059 1.00 0.00 N ATOM 0 H ARG A 51 -3.125 7.146 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.722 7.445 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.505 8.999 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.802 7.397 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.050 8.257 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.758 9.858 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.786 9.634 0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.239 10.047 1.717 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.246 7.219 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.499 9.984 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.385 9.148 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.047 6.202 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.571 7.027 5.069 1.00 0.00 H new ATOM 810 N LEU A 52 -4.744 9.769 -2.725 1.00 0.00 N ATOM 811 CA LEU A 52 -5.265 10.878 -3.560 1.00 0.00 C ATOM 812 C LEU A 52 -6.591 10.459 -4.221 1.00 0.00 C ATOM 813 O LEU A 52 -7.636 11.071 -3.987 1.00 0.00 O ATOM 814 CB LEU A 52 -4.221 11.293 -4.645 1.00 0.00 C ATOM 815 CG LEU A 52 -3.009 12.149 -4.149 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.911 12.235 -5.231 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.471 13.556 -3.720 1.00 0.00 C ATOM 0 H LEU A 52 -3.849 9.397 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.446 11.741 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.832 10.387 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.740 11.853 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.581 11.653 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.081 12.836 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.556 11.232 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.320 12.698 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.611 14.133 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.934 14.061 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.195 13.470 -2.910 1.00 0.00 H new ATOM 829 N ARG A 53 -6.537 9.361 -4.989 1.00 0.00 N ATOM 830 CA ARG A 53 -7.682 8.864 -5.781 1.00 0.00 C ATOM 831 C ARG A 53 -8.769 8.249 -4.869 1.00 0.00 C ATOM 832 O ARG A 53 -9.916 8.106 -5.279 1.00 0.00 O ATOM 833 CB ARG A 53 -7.183 7.858 -6.865 1.00 0.00 C ATOM 834 CG ARG A 53 -6.675 6.495 -6.326 1.00 0.00 C ATOM 835 CD ARG A 53 -5.588 5.845 -7.207 1.00 0.00 C ATOM 836 NE ARG A 53 -6.000 5.622 -8.597 1.00 0.00 N ATOM 837 CZ ARG A 53 -5.231 5.028 -9.522 1.00 0.00 C ATOM 838 NH1 ARG A 53 -4.061 4.477 -9.200 1.00 0.00 N ATOM 839 NH2 ARG A 53 -5.663 4.940 -10.764 1.00 0.00 N ATOM 0 H ARG A 53 -5.698 8.788 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.148 9.705 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.997 7.672 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.378 8.329 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.278 6.637 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.519 5.810 -6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.701 6.479 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.301 4.890 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.928 5.938 -8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.734 4.502 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.492 4.030 -9.919 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.575 5.322 -11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.085 4.490 -11.474 1.00 0.00 H new ATOM 853 N ALA A 54 -8.385 7.892 -3.625 1.00 0.00 N ATOM 854 CA ALA A 54 -9.329 7.426 -2.589 1.00 0.00 C ATOM 855 C ALA A 54 -10.167 8.585 -2.037 1.00 0.00 C ATOM 856 O ALA A 54 -11.220 8.353 -1.460 1.00 0.00 O ATOM 857 CB ALA A 54 -8.591 6.720 -1.443 1.00 0.00 C ATOM 0 H ALA A 54 -7.415 7.919 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.000 6.710 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.312 6.388 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.051 5.858 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.885 7.412 -0.984 1.00 0.00 H new ATOM 863 N CYS A 55 -9.673 9.828 -2.201 1.00 0.00 N ATOM 864 CA CYS A 55 -10.384 11.052 -1.785 1.00 0.00 C ATOM 865 C CYS A 55 -11.023 11.779 -2.988 1.00 0.00 C ATOM 866 O CYS A 55 -11.508 12.901 -2.843 1.00 0.00 O ATOM 867 CB CYS A 55 -9.409 11.978 -1.024 1.00 0.00 C ATOM 868 SG CYS A 55 -8.774 11.233 0.496 1.00 0.00 S ATOM 0 H CYS A 55 -8.765 10.011 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.201 10.771 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.573 12.231 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.917 12.911 -0.781 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.743 11.907 0.912 1.00 0.00 H new ATOM 874 N ASP A 56 -11.049 11.118 -4.164 1.00 0.00 N ATOM 875 CA ASP A 56 -11.700 11.654 -5.393 1.00 0.00 C ATOM 876 C ASP A 56 -13.208 11.936 -5.160 1.00 0.00 C ATOM 877 O ASP A 56 -13.780 12.857 -5.761 1.00 0.00 O ATOM 878 CB ASP A 56 -11.496 10.660 -6.573 1.00 0.00 C ATOM 879 CG ASP A 56 -12.222 11.054 -7.879 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.793 12.025 -8.538 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.226 10.400 -8.242 1.00 0.00 O ATOM 0 H ASP A 56 -10.623 10.201 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.230 12.605 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.429 10.574 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.842 9.674 -6.264 1.00 0.00 H new ATOM 886 N TRP A 57 -13.821 11.154 -4.249 1.00 0.00 N ATOM 887 CA TRP A 57 -15.248 11.286 -3.879 1.00 0.00 C ATOM 888 C TRP A 57 -15.553 12.645 -3.207 1.00 0.00 C ATOM 889 O TRP A 57 -16.668 13.152 -3.317 1.00 0.00 O ATOM 890 CB TRP A 57 -15.686 10.111 -2.963 1.00 0.00 C ATOM 891 CG TRP A 57 -15.069 10.123 -1.578 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.781 9.838 -1.259 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.721 10.438 -0.337 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.579 9.975 0.087 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.751 10.339 0.677 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.022 10.808 0.011 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.041 10.586 2.015 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.311 11.054 1.339 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.320 10.949 2.327 1.00 0.00 C ATOM 0 H TRP A 57 -13.339 10.409 -3.746 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.826 11.247 -4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.771 10.132 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.429 9.172 -3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.022 9.544 -1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.693 9.828 0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.788 10.900 -0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.283 10.494 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.316 11.332 1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.574 11.160 3.355 1.00 0.00 H new ATOM 910 N THR A 58 -14.562 13.225 -2.498 1.00 0.00 N ATOM 911 CA THR A 58 -14.707 14.563 -1.881 1.00 0.00 C ATOM 912 C THR A 58 -14.350 15.680 -2.881 1.00 0.00 C ATOM 913 O THR A 58 -14.806 16.822 -2.732 1.00 0.00 O ATOM 914 CB THR A 58 -13.845 14.706 -0.589 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.476 14.392 -0.849 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.356 13.802 0.522 1.00 0.00 C ATOM 0 H THR A 58 -13.654 12.790 -2.338 1.00 0.00 H new ATOM 0 HA THR A 58 -15.755 14.667 -1.599 1.00 0.00 H new ATOM 0 HB THR A 58 -13.925 15.745 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.417 13.813 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.733 13.926 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.386 14.067 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.316 12.764 0.193 1.00 0.00 H new ATOM 924 N GLN A 59 -13.532 15.336 -3.902 1.00 0.00 N ATOM 925 CA GLN A 59 -13.048 16.305 -4.921 1.00 0.00 C ATOM 926 C GLN A 59 -14.150 16.651 -5.927 1.00 0.00 C ATOM 927 O GLN A 59 -14.208 17.784 -6.422 1.00 0.00 O ATOM 928 CB GLN A 59 -11.805 15.756 -5.672 1.00 0.00 C ATOM 929 CG GLN A 59 -10.653 15.276 -4.767 1.00 0.00 C ATOM 930 CD GLN A 59 -10.281 16.255 -3.654 1.00 0.00 C ATOM 931 OE1 GLN A 59 -9.489 17.152 -3.859 1.00 0.00 O ATOM 932 NE2 GLN A 59 -10.836 16.066 -2.468 1.00 0.00 N ATOM 0 H GLN A 59 -13.189 14.386 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.763 17.213 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.119 14.926 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.426 16.535 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.931 14.322 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.773 15.093 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.498 15.302 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.602 16.684 -1.691 1.00 0.00 H new ATOM 941 N VAL A 60 -15.015 15.659 -6.235 1.00 0.00 N ATOM 942 CA VAL A 60 -16.202 15.881 -7.086 1.00 0.00 C ATOM 943 C VAL A 60 -17.214 16.816 -6.387 1.00 0.00 C ATOM 944 O VAL A 60 -18.079 17.399 -7.046 1.00 0.00 O ATOM 945 CB VAL A 60 -16.908 14.533 -7.493 1.00 0.00 C ATOM 946 CG1 VAL A 60 -15.933 13.598 -8.256 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.536 13.819 -6.266 1.00 0.00 C ATOM 0 H VAL A 60 -14.912 14.699 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.846 16.357 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 60 -17.725 14.784 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.448 12.676 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.585 14.096 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.079 13.365 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.013 12.894 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.756 13.591 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.280 14.470 -5.808 1.00 0.00 H new ATOM 957 N GLN A 61 -17.093 16.900 -5.030 1.00 0.00 N ATOM 958 CA GLN A 61 -17.838 17.817 -4.124 1.00 0.00 C ATOM 959 C GLN A 61 -19.378 17.777 -4.308 1.00 0.00 C ATOM 960 O GLN A 61 -20.096 18.675 -3.854 1.00 0.00 O ATOM 961 CB GLN A 61 -17.252 19.272 -4.182 1.00 0.00 C ATOM 962 CG GLN A 61 -17.467 20.044 -5.501 1.00 0.00 C ATOM 963 CD GLN A 61 -16.768 21.397 -5.530 1.00 0.00 C ATOM 964 OE1 GLN A 61 -17.346 22.421 -5.163 1.00 0.00 O ATOM 965 NE2 GLN A 61 -15.513 21.403 -5.945 1.00 0.00 N ATOM 0 H GLN A 61 -16.444 16.303 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.681 17.440 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -17.693 19.851 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.181 19.217 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -17.104 19.438 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -18.536 20.192 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.070 20.533 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.988 22.277 -5.969 1.00 0.00 H new ATOM 974 N ASP A 62 -19.871 16.688 -4.917 1.00 0.00 N ATOM 975 CA ASP A 62 -21.314 16.438 -5.103 1.00 0.00 C ATOM 976 C ASP A 62 -21.897 15.772 -3.836 1.00 0.00 C ATOM 977 O ASP A 62 -23.078 15.953 -3.504 1.00 0.00 O ATOM 978 CB ASP A 62 -21.525 15.555 -6.363 1.00 0.00 C ATOM 979 CG ASP A 62 -23.010 15.294 -6.673 1.00 0.00 C ATOM 980 OD1 ASP A 62 -23.753 16.270 -6.902 1.00 0.00 O ATOM 981 OD2 ASP A 62 -23.443 14.124 -6.678 1.00 0.00 O ATOM 0 H ASP A 62 -19.279 15.950 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.841 17.380 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.060 16.040 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.016 14.602 -6.221 1.00 0.00 H new ATOM 986 N VAL A 63 -21.027 15.009 -3.144 1.00 0.00 N ATOM 987 CA VAL A 63 -21.296 14.418 -1.821 1.00 0.00 C ATOM 988 C VAL A 63 -21.638 15.528 -0.796 1.00 0.00 C ATOM 989 O VAL A 63 -21.074 16.629 -0.864 1.00 0.00 O ATOM 990 CB VAL A 63 -20.046 13.564 -1.345 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.768 14.439 -1.199 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.353 12.792 -0.043 1.00 0.00 C ATOM 0 H VAL A 63 -20.098 14.783 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.156 13.753 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.844 12.829 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.936 13.816 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.526 14.892 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.946 15.223 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.476 12.218 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.610 13.498 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.190 12.115 -0.210 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.583 15.254 0.119 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.094 16.265 1.065 1.00 0.00 C ATOM 1004 C VAL A 64 -22.173 16.341 2.290 1.00 0.00 C ATOM 1005 O VAL A 64 -22.326 15.588 3.258 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.582 15.977 1.496 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.121 17.068 2.472 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.500 15.847 0.250 1.00 0.00 C ATOM 0 H VAL A 64 -23.012 14.335 0.225 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.096 17.229 0.557 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.591 15.028 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.150 16.835 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.502 17.091 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.088 18.042 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.523 15.648 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.473 16.775 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -25.150 15.026 -0.376 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.160 17.212 2.194 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.232 17.499 3.289 1.00 0.00 C ATOM 1020 C LEU A 65 -20.181 19.017 3.481 1.00 0.00 C ATOM 1021 O LEU A 65 -20.358 19.770 2.508 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.824 16.925 2.971 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.714 15.365 2.916 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.362 14.915 2.331 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.944 14.743 4.314 1.00 0.00 C ATOM 0 H LEU A 65 -20.962 17.741 1.345 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.572 17.025 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.499 17.326 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.126 17.292 3.723 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.498 15.004 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.320 13.826 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.256 15.304 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.552 15.296 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.862 13.658 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.194 15.122 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.938 15.010 4.672 1.00 0.00 H new ATOM 1037 N THR A 66 -19.919 19.468 4.718 1.00 0.00 N ATOM 1038 CA THR A 66 -19.840 20.905 5.021 1.00 0.00 C ATOM 1039 C THR A 66 -18.606 21.495 4.316 1.00 0.00 C ATOM 1040 O THR A 66 -17.657 20.761 4.035 1.00 0.00 O ATOM 1041 CB THR A 66 -19.778 21.189 6.562 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.500 20.806 7.093 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.897 20.441 7.330 1.00 0.00 C ATOM 0 H THR A 66 -19.759 18.860 5.522 1.00 0.00 H new ATOM 0 HA THR A 66 -20.749 21.381 4.653 1.00 0.00 H new ATOM 0 HB THR A 66 -19.926 22.260 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.477 20.991 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.820 20.664 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.870 20.765 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 66 -20.789 19.367 7.175 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.642 22.798 3.985 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.506 23.484 3.330 1.00 0.00 C ATOM 1053 C ALA A 67 -16.201 23.275 4.134 1.00 0.00 C ATOM 1054 O ALA A 67 -15.135 23.062 3.563 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.825 24.975 3.154 1.00 0.00 C ATOM 0 H ALA A 67 -19.446 23.401 4.159 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.352 23.050 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.984 25.473 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.716 25.086 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.002 25.427 4.130 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.343 23.348 5.470 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.274 23.021 6.439 1.00 0.00 C ATOM 1063 C ASP A 68 -14.719 21.582 6.253 1.00 0.00 C ATOM 1064 O ASP A 68 -13.501 21.396 6.208 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.789 23.216 7.878 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.290 24.650 8.133 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -15.466 25.538 8.460 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.509 24.903 7.975 1.00 0.00 O ATOM 0 H ASP A 68 -17.213 23.639 5.915 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.447 23.705 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.599 22.512 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.990 22.983 8.582 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.624 20.577 6.128 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.232 19.146 5.942 1.00 0.00 C ATOM 1075 C GLN A 69 -14.469 18.979 4.613 1.00 0.00 C ATOM 1076 O GLN A 69 -13.356 18.458 4.583 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.479 18.201 5.969 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.142 18.013 7.349 1.00 0.00 C ATOM 1079 CD GLN A 69 -16.248 17.293 8.356 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -15.490 17.919 9.095 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -16.326 15.973 8.389 1.00 0.00 N ATOM 0 H GLN A 69 -16.633 20.727 6.152 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.583 18.864 6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.225 18.593 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.179 17.223 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.415 18.989 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.067 17.449 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.965 15.484 7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.747 15.444 9.041 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.080 19.488 3.534 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.530 19.470 2.160 1.00 0.00 C ATOM 1092 C LYS A 70 -13.201 20.237 2.047 1.00 0.00 C ATOM 1093 O LYS A 70 -12.404 19.945 1.165 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.582 20.035 1.163 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.729 19.056 0.840 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.907 19.726 0.093 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.886 18.705 -0.489 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.049 19.351 -1.161 1.00 0.00 N ATOM 0 H LYS A 70 -15.994 19.937 3.588 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.311 18.433 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.005 20.950 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.079 20.308 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.340 18.238 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.097 18.618 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.439 20.386 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.516 20.349 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.363 18.071 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.246 18.055 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.927 18.881 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.087 20.357 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.945 19.266 -2.192 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.980 21.209 2.947 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.758 22.045 2.938 1.00 0.00 C ATOM 1114 C ALA A 71 -10.608 21.239 3.571 1.00 0.00 C ATOM 1115 O ALA A 71 -9.497 21.220 3.066 1.00 0.00 O ATOM 1116 CB ALA A 71 -11.994 23.360 3.707 1.00 0.00 C ATOM 0 H ALA A 71 -13.633 21.440 3.696 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.498 22.308 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.084 23.960 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.805 23.916 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.260 23.135 4.740 1.00 0.00 H new ATOM 1122 N THR A 72 -10.940 20.591 4.699 1.00 0.00 N ATOM 1123 CA THR A 72 -10.042 19.647 5.404 1.00 0.00 C ATOM 1124 C THR A 72 -9.604 18.486 4.467 1.00 0.00 C ATOM 1125 O THR A 72 -8.432 18.079 4.465 1.00 0.00 O ATOM 1126 CB THR A 72 -10.703 19.075 6.698 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.306 20.146 7.438 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.675 18.380 7.604 1.00 0.00 C ATOM 0 H THR A 72 -11.845 20.705 5.155 1.00 0.00 H new ATOM 0 HA THR A 72 -9.157 20.210 5.700 1.00 0.00 H new ATOM 0 HB THR A 72 -11.449 18.342 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.146 20.408 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.175 17.996 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.212 17.555 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.908 19.096 7.900 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.557 17.996 3.653 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.296 16.973 2.619 1.00 0.00 C ATOM 1138 C TRP A 73 -9.479 17.552 1.442 1.00 0.00 C ATOM 1139 O TRP A 73 -8.681 16.840 0.817 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.627 16.365 2.099 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.267 15.349 3.028 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.383 15.503 3.812 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.825 13.994 3.236 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.655 14.338 4.487 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.714 13.396 4.148 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.765 13.231 2.732 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.568 12.078 4.572 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.629 11.923 3.155 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.528 11.355 4.061 1.00 0.00 C ATOM 0 H TRP A 73 -11.531 18.297 3.692 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.705 16.183 3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.336 17.174 1.924 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.442 15.890 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.964 16.410 3.887 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.430 14.195 5.135 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -10.067 13.657 2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.255 11.641 5.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.811 11.327 2.778 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.398 10.326 4.363 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.696 18.844 1.146 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.948 19.569 0.102 1.00 0.00 C ATOM 1162 C ALA A 74 -7.498 19.830 0.559 1.00 0.00 C ATOM 1163 O ALA A 74 -6.589 19.892 -0.267 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.658 20.888 -0.254 1.00 0.00 C ATOM 0 H ALA A 74 -10.394 19.416 1.622 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.915 18.949 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.092 21.409 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.661 20.673 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.725 21.517 0.634 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.305 19.959 1.894 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.978 20.173 2.514 1.00 0.00 C ATOM 1172 C LYS A 75 -5.184 18.868 2.523 1.00 0.00 C ATOM 1173 O LYS A 75 -3.953 18.888 2.466 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.125 20.707 3.967 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.677 22.141 4.060 1.00 0.00 C ATOM 1176 CD LYS A 75 -6.779 22.649 5.516 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.249 24.115 5.595 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.236 24.626 6.989 1.00 0.00 N ATOM 0 H LYS A 75 -8.067 19.917 2.571 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.444 20.916 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.784 20.039 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.151 20.672 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.033 22.811 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.663 22.177 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.473 22.017 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.807 22.555 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.604 24.737 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.257 24.196 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.559 25.615 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.871 24.049 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.269 24.573 7.369 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.913 17.749 2.633 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.343 16.399 2.551 1.00 0.00 C ATOM 1194 C TYR A 76 -4.631 16.211 1.197 1.00 0.00 C ATOM 1195 O TYR A 76 -3.460 15.814 1.150 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.471 15.353 2.740 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.995 13.897 2.755 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.352 13.370 3.871 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.198 13.037 1.667 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.924 12.063 3.899 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.765 11.722 1.700 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.135 11.243 2.822 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.713 9.940 2.870 1.00 0.00 O ATOM 0 H TYR A 76 -6.922 17.756 2.782 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.605 16.260 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.989 15.562 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.200 15.475 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.186 14.000 4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.702 13.407 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.419 11.681 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.922 11.077 0.848 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.482 9.343 2.760 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.354 16.544 0.109 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.822 16.464 -1.265 1.00 0.00 C ATOM 1215 C ARG A 77 -3.685 17.485 -1.475 1.00 0.00 C ATOM 1216 O ARG A 77 -2.599 17.125 -1.948 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.949 16.681 -2.317 1.00 0.00 C ATOM 1218 CG ARG A 77 -5.444 16.677 -3.781 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.568 16.648 -4.819 1.00 0.00 C ATOM 1220 NE ARG A 77 -6.042 16.675 -6.196 1.00 0.00 N ATOM 1221 CZ ARG A 77 -6.695 16.259 -7.292 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.909 15.716 -7.213 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -6.117 16.396 -8.476 1.00 0.00 N ATOM 0 H ARG A 77 -6.318 16.874 0.158 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.415 15.462 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.699 15.899 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.444 17.631 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.831 17.563 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.800 15.811 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.170 15.751 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.227 17.502 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.099 17.042 -6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.362 15.609 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.386 15.407 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.189 16.813 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.600 16.085 -9.319 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.964 18.770 -1.138 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.997 19.887 -1.268 1.00 0.00 C ATOM 1239 C GLN A 78 -1.646 19.601 -0.580 1.00 0.00 C ATOM 1240 O GLN A 78 -0.603 20.017 -1.077 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.612 21.215 -0.737 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.758 22.479 -1.019 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.554 22.790 -2.518 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.499 23.265 -2.934 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.578 22.571 -3.327 1.00 0.00 N ATOM 0 H GLN A 78 -4.869 19.060 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.788 19.991 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.596 21.350 -1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.762 21.126 0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.233 23.337 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.782 22.355 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.443 22.176 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.502 22.797 -4.319 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.679 18.872 0.539 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.462 18.512 1.281 1.00 0.00 C ATOM 1256 C ALA A 79 0.350 17.441 0.519 1.00 0.00 C ATOM 1257 O ALA A 79 1.568 17.566 0.372 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.826 18.032 2.684 1.00 0.00 C ATOM 0 H ALA A 79 -2.540 18.516 0.955 1.00 0.00 H new ATOM 0 HA ALA A 79 0.166 19.398 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.082 17.768 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.348 18.827 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.473 17.158 2.613 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.352 16.393 0.042 1.00 0.00 N ATOM 1265 CA LEU A 80 0.240 15.298 -0.760 1.00 0.00 C ATOM 1266 C LEU A 80 0.935 15.803 -2.047 1.00 0.00 C ATOM 1267 O LEU A 80 2.001 15.295 -2.413 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.874 14.275 -1.104 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.416 13.461 0.112 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.710 12.702 -0.226 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.332 12.504 0.624 1.00 0.00 C ATOM 0 H LEU A 80 -1.353 16.280 0.203 1.00 0.00 H new ATOM 0 HA LEU A 80 1.020 14.824 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.706 14.807 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.489 13.577 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.668 14.168 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.048 12.151 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.480 13.412 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.520 12.004 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.717 11.939 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.049 11.815 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.541 13.077 0.936 1.00 0.00 H new ATOM 1283 N ARG A 81 0.327 16.798 -2.722 1.00 0.00 N ATOM 1284 CA ARG A 81 0.906 17.391 -3.955 1.00 0.00 C ATOM 1285 C ARG A 81 2.027 18.399 -3.612 1.00 0.00 C ATOM 1286 O ARG A 81 2.925 18.636 -4.427 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.189 18.071 -4.831 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.847 19.311 -4.196 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.881 19.984 -5.104 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.295 20.445 -6.373 1.00 0.00 N ATOM 1291 CZ ARG A 81 -0.982 21.720 -6.678 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -1.188 22.711 -5.802 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -0.445 21.999 -7.856 1.00 0.00 N ATOM 0 H ARG A 81 -0.562 17.210 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 81 1.340 16.576 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.255 18.361 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.965 17.338 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.329 19.019 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.072 20.034 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.689 19.283 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.323 20.832 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.109 19.738 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.588 22.507 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.945 23.670 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.270 21.251 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.206 22.962 -8.092 1.00 0.00 H new ATOM 1307 N ASP A 82 1.946 18.987 -2.396 1.00 0.00 N ATOM 1308 CA ASP A 82 2.906 20.006 -1.918 1.00 0.00 C ATOM 1309 C ASP A 82 4.298 19.393 -1.703 1.00 0.00 C ATOM 1310 O ASP A 82 5.307 20.013 -2.057 1.00 0.00 O ATOM 1311 CB ASP A 82 2.392 20.656 -0.608 1.00 0.00 C ATOM 1312 CG ASP A 82 3.311 21.763 -0.061 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.415 22.827 -0.711 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.917 21.581 1.018 1.00 0.00 O ATOM 0 H ASP A 82 1.214 18.768 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 82 2.992 20.778 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.401 21.074 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.280 19.882 0.151 1.00 0.00 H new ATOM 1319 N LEU A 83 4.333 18.168 -1.138 1.00 0.00 N ATOM 1320 CA LEU A 83 5.592 17.438 -0.872 1.00 0.00 C ATOM 1321 C LEU A 83 6.326 17.120 -2.197 1.00 0.00 C ATOM 1322 O LEU A 83 5.803 16.373 -3.024 1.00 0.00 O ATOM 1323 CB LEU A 83 5.333 16.133 -0.031 1.00 0.00 C ATOM 1324 CG LEU A 83 5.383 16.294 1.524 1.00 0.00 C ATOM 1325 CD1 LEU A 83 6.793 16.706 1.996 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.309 17.277 2.031 1.00 0.00 C ATOM 0 H LEU A 83 3.496 17.659 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 83 6.237 18.083 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.354 15.738 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.071 15.385 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 83 5.158 15.321 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.797 16.810 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.513 15.942 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.066 17.657 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.376 17.362 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.470 18.256 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.320 16.909 1.756 1.00 0.00 H new ATOM 1453 N GLN A 92 12.068 8.841 5.625 1.00 0.00 N ATOM 1454 CA GLN A 92 10.791 8.175 5.898 1.00 0.00 C ATOM 1455 C GLN A 92 9.632 9.034 5.357 1.00 0.00 C ATOM 1456 O GLN A 92 9.658 10.270 5.455 1.00 0.00 O ATOM 1457 CB GLN A 92 10.644 7.940 7.431 1.00 0.00 C ATOM 1458 CG GLN A 92 9.269 7.389 7.878 1.00 0.00 C ATOM 1459 CD GLN A 92 8.871 6.075 7.191 1.00 0.00 C ATOM 1460 OE1 GLN A 92 9.716 5.234 6.886 1.00 0.00 O ATOM 1461 NE2 GLN A 92 7.588 5.911 6.904 1.00 0.00 N ATOM 0 HA GLN A 92 10.763 7.208 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.419 7.245 7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.826 8.883 7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.285 7.233 8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.505 8.139 7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.911 6.626 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.278 5.070 6.417 1.00 0.00 H new ATOM 1470 N ILE A 93 8.614 8.364 4.786 1.00 0.00 N ATOM 1471 CA ILE A 93 7.383 9.020 4.338 1.00 0.00 C ATOM 1472 C ILE A 93 6.486 9.354 5.546 1.00 0.00 C ATOM 1473 O ILE A 93 6.185 8.494 6.375 1.00 0.00 O ATOM 1474 CB ILE A 93 6.630 8.145 3.242 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.398 6.642 3.693 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.403 8.221 1.897 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.092 6.347 4.425 1.00 0.00 C ATOM 0 H ILE A 93 8.626 7.357 4.625 1.00 0.00 H new ATOM 0 HA ILE A 93 7.642 9.962 3.854 1.00 0.00 H new ATOM 0 HB ILE A 93 5.633 8.567 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.444 6.009 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.225 6.347 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.887 7.622 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.451 9.258 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.414 7.837 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.049 5.288 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.043 6.943 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.249 6.599 3.781 1.00 0.00 H new ATOM 1489 N VAL A 94 6.173 10.641 5.703 1.00 0.00 N ATOM 1490 CA VAL A 94 5.178 11.128 6.662 1.00 0.00 C ATOM 1491 C VAL A 94 4.268 12.144 5.943 1.00 0.00 C ATOM 1492 O VAL A 94 4.549 13.345 5.859 1.00 0.00 O ATOM 1493 CB VAL A 94 5.868 11.711 7.959 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.027 12.679 7.607 1.00 0.00 C ATOM 1495 CG2 VAL A 94 4.836 12.363 8.921 1.00 0.00 C ATOM 0 H VAL A 94 6.609 11.386 5.160 1.00 0.00 H new ATOM 0 HA VAL A 94 4.557 10.306 7.017 1.00 0.00 H new ATOM 0 HB VAL A 94 6.308 10.869 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.476 13.058 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.782 12.148 7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.640 13.513 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.352 12.751 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.327 13.180 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.104 11.616 9.230 1.00 0.00 H new ATOM 1505 N TRP A 95 3.208 11.606 5.346 1.00 0.00 N ATOM 1506 CA TRP A 95 2.173 12.371 4.629 1.00 0.00 C ATOM 1507 C TRP A 95 0.855 12.325 5.434 1.00 0.00 C ATOM 1508 O TRP A 95 0.686 11.398 6.245 1.00 0.00 O ATOM 1509 CB TRP A 95 2.026 11.827 3.173 1.00 0.00 C ATOM 1510 CG TRP A 95 2.046 10.324 3.005 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.362 9.388 3.731 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.788 9.593 2.021 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.656 8.133 3.278 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.521 8.234 2.224 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.655 9.964 0.984 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.094 7.246 1.450 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.217 8.974 0.209 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.928 7.625 0.444 1.00 0.00 C ATOM 0 H TRP A 95 3.034 10.601 5.343 1.00 0.00 H new ATOM 0 HA TRP A 95 2.459 13.419 4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.089 12.203 2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.830 12.248 2.570 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.687 9.609 4.545 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.290 7.262 3.663 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.878 11.004 0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.887 6.203 1.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.890 9.242 -0.592 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.376 6.870 -0.185 1.00 0.00 H new ATOM 1529 N PRO A 96 -0.094 13.312 5.238 1.00 0.00 N ATOM 1530 CA PRO A 96 -1.250 13.518 6.164 1.00 0.00 C ATOM 1531 C PRO A 96 -2.163 12.283 6.311 1.00 0.00 C ATOM 1532 O PRO A 96 -2.282 11.469 5.392 1.00 0.00 O ATOM 1533 CB PRO A 96 -2.016 14.714 5.523 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.614 14.681 4.085 1.00 0.00 C ATOM 1535 CD PRO A 96 -0.157 14.278 4.099 1.00 0.00 C ATOM 0 HA PRO A 96 -0.912 13.704 7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.094 14.603 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.741 15.659 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.216 13.967 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.750 15.654 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.144 13.816 3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.498 15.134 4.258 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.768 12.161 7.497 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.825 11.181 7.772 1.00 0.00 C ATOM 1545 C GLN A 97 -5.177 11.844 7.490 1.00 0.00 C ATOM 1546 O GLN A 97 -5.371 13.022 7.834 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.743 10.687 9.239 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.827 9.658 9.638 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.783 9.266 11.116 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.724 9.284 11.750 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -5.926 8.879 11.671 1.00 0.00 N ATOM 0 H GLN A 97 -2.536 12.745 8.301 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.703 10.308 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.762 10.242 9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.818 11.549 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.810 10.070 9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.707 8.762 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.785 8.875 11.120 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.945 8.586 12.648 1.00 0.00 H new ATOM 1560 N LEU A 98 -6.092 11.092 6.852 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.417 11.605 6.454 1.00 0.00 C ATOM 1562 C LEU A 98 -8.264 11.965 7.697 1.00 0.00 C ATOM 1563 O LEU A 98 -8.158 11.289 8.726 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.119 10.609 5.464 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.247 9.100 5.878 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -9.354 8.853 6.920 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.453 8.203 4.636 1.00 0.00 C ATOM 0 H LEU A 98 -5.936 10.116 6.599 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.297 12.538 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.124 10.986 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.579 10.648 4.518 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.305 8.830 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.393 7.792 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.139 9.426 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.315 9.166 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.539 7.162 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.364 8.502 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.601 8.311 3.964 1.00 0.00 H new ATOM 1579 N PRO A 99 -9.081 13.065 7.629 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.837 13.584 8.800 1.00 0.00 C ATOM 1581 C PRO A 99 -10.879 12.592 9.383 1.00 0.00 C ATOM 1582 O PRO A 99 -10.923 12.370 10.602 1.00 0.00 O ATOM 1583 CB PRO A 99 -10.512 14.871 8.247 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.528 14.711 6.752 1.00 0.00 C ATOM 1585 CD PRO A 99 -9.290 13.915 6.418 1.00 0.00 C ATOM 0 HA PRO A 99 -9.177 13.761 9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.523 14.983 8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.956 15.762 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.428 14.193 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.518 15.680 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.432 13.309 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.434 14.564 6.231 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.696 11.999 8.499 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.843 11.157 8.898 1.00 0.00 C ATOM 1595 C VAL A 100 -12.418 9.661 8.908 1.00 0.00 C ATOM 1596 O VAL A 100 -11.972 9.171 9.965 1.00 0.00 O ATOM 1597 CB VAL A 100 -14.077 11.402 7.941 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -15.331 10.651 8.456 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -14.360 12.928 7.733 1.00 0.00 C ATOM 1600 OXT VAL A 100 -12.471 9.003 7.844 1.00 0.00 O ATOM 0 H VAL A 100 -11.584 12.087 7.489 1.00 0.00 H new ATOM 0 HA VAL A 100 -13.155 11.432 9.906 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.823 10.995 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.167 10.834 7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.124 9.582 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.585 11.008 9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -15.216 13.052 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.577 13.392 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.485 13.403 7.290 1.00 0.00 H new