USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 933 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: C 11 SER OG : rot 180:sc= 0.443 USER MOD Set 1.2: C 21 THR OG1 : rot -72:sc= 0.472 USER MOD Set 2.1: C 13 ASN : amide:sc= -0.0335 K(o=-0.034,f=1) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.138 X(o=-0.14,f=0.31) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.481 USER MOD Set 4.2: A 21 THR OG1 : rot -67:sc= 0.524 USER MOD Single : A 1 MET CE :methyl -164:sc=-0.00715 (180deg=-0.429) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0129 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 29 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.102 X(o=0.1,f=-0.19) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.25 X(o=-1.2,f=-1.6) USER MOD Single : A 48 TYR OH : rot -159:sc= 0.00189 USER MOD Single : A 49 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.1! K(o=-2.1!,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 175:sc= -0.77 (180deg=-1.06) USER MOD Single : C 1 MET N :NH3+ 137:sc= 0.00818 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 9:sc= 0.172 USER MOD Single : C 28 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc=-0.00491 K(o=-0.0049,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.63) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : C 52 GLN : amide:sc= -3.82! K(o=-3.8!,f=-1.4) USER MOD Single : C 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.754 -7.543 -10.041 1.00 0.00 N ATOM 2 CA MET A 1 3.937 -6.742 -9.108 1.00 0.00 C ATOM 3 C MET A 1 2.723 -7.539 -8.657 1.00 0.00 C ATOM 4 O MET A 1 2.064 -8.164 -9.483 1.00 0.00 O ATOM 5 CB MET A 1 3.457 -5.450 -9.771 1.00 0.00 C ATOM 6 CG MET A 1 2.920 -4.489 -8.704 1.00 0.00 C ATOM 7 SD MET A 1 1.816 -3.186 -9.299 1.00 0.00 S ATOM 8 CE MET A 1 2.679 -2.745 -10.817 1.00 0.00 C ATOM 0 H1 MET A 1 5.130 -6.927 -10.790 1.00 0.00 H new ATOM 0 H2 MET A 1 5.543 -7.980 -9.524 1.00 0.00 H new ATOM 0 H3 MET A 1 4.165 -8.287 -10.467 1.00 0.00 H new ATOM 0 HA MET A 1 4.561 -6.494 -8.249 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.278 -4.983 -10.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.677 -5.672 -10.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.390 -5.072 -7.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.768 -4.020 -8.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.316 -1.781 -11.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.749 -2.680 -10.621 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.494 -3.506 -11.575 1.00 0.00 H new ATOM 20 N LEU A 2 2.427 -7.517 -7.356 1.00 0.00 N ATOM 21 CA LEU A 2 1.237 -8.150 -6.809 1.00 0.00 C ATOM 22 C LEU A 2 0.168 -7.062 -6.658 1.00 0.00 C ATOM 23 O LEU A 2 0.429 -6.035 -6.034 1.00 0.00 O ATOM 24 CB LEU A 2 1.612 -8.769 -5.454 1.00 0.00 C ATOM 25 CG LEU A 2 0.662 -9.858 -4.924 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.600 -9.775 -3.400 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.759 -9.781 -5.463 1.00 0.00 C ATOM 0 H LEU A 2 3.010 -7.058 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 2 0.849 -8.940 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.612 -9.195 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.666 -7.970 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 2 1.078 -10.804 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.072 -10.545 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.597 -9.928 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.231 -8.793 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.355 -10.587 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.199 -8.821 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.742 -9.880 -6.548 1.00 0.00 H new ATOM 39 N ILE A 3 -1.028 -7.270 -7.222 1.00 0.00 N ATOM 40 CA ILE A 3 -2.098 -6.279 -7.195 1.00 0.00 C ATOM 41 C ILE A 3 -3.263 -6.789 -6.361 1.00 0.00 C ATOM 42 O ILE A 3 -3.599 -7.971 -6.409 1.00 0.00 O ATOM 43 CB ILE A 3 -2.571 -5.950 -8.626 1.00 0.00 C ATOM 44 CG1 ILE A 3 -1.577 -5.044 -9.352 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.898 -5.184 -8.611 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.372 -5.792 -9.903 1.00 0.00 C ATOM 0 H ILE A 3 -1.276 -8.131 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.712 -5.366 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.670 -6.911 -9.131 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.088 -4.539 -10.172 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.233 -4.270 -8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.204 -4.967 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.662 -5.790 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.773 -4.250 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.293 -5.090 -10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.162 -6.275 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.707 -6.548 -10.614 1.00 0.00 H new ATOM 58 N LEU A 4 -3.867 -5.878 -5.597 1.00 0.00 N ATOM 59 CA LEU A 4 -5.011 -6.156 -4.749 1.00 0.00 C ATOM 60 C LEU A 4 -6.097 -5.121 -5.042 1.00 0.00 C ATOM 61 O LEU A 4 -5.850 -4.094 -5.676 1.00 0.00 O ATOM 62 CB LEU A 4 -4.617 -6.062 -3.265 1.00 0.00 C ATOM 63 CG LEU A 4 -4.031 -7.324 -2.614 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.013 -8.489 -2.662 1.00 0.00 C ATOM 65 CD2 LEU A 4 -2.723 -7.762 -3.260 1.00 0.00 C ATOM 0 H LEU A 4 -3.562 -4.906 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.373 -7.164 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.889 -5.258 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.501 -5.769 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.834 -7.052 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.563 -9.364 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.924 -8.219 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.255 -8.719 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.353 -8.658 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.893 -7.978 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.986 -6.964 -3.167 1.00 0.00 H new ATOM 77 N THR A 5 -7.303 -5.416 -4.562 1.00 0.00 N ATOM 78 CA THR A 5 -8.455 -4.539 -4.678 1.00 0.00 C ATOM 79 C THR A 5 -9.049 -4.386 -3.291 1.00 0.00 C ATOM 80 O THR A 5 -9.268 -5.373 -2.589 1.00 0.00 O ATOM 81 CB THR A 5 -9.452 -5.141 -5.664 1.00 0.00 C ATOM 82 OG1 THR A 5 -8.862 -5.192 -6.943 1.00 0.00 O ATOM 83 CG2 THR A 5 -10.734 -4.311 -5.746 1.00 0.00 C ATOM 0 H THR A 5 -7.506 -6.288 -4.073 1.00 0.00 H new ATOM 0 HA THR A 5 -8.179 -3.556 -5.060 1.00 0.00 H new ATOM 0 HB THR A 5 -9.711 -6.140 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.497 -5.580 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.420 -4.770 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.204 -4.270 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.493 -3.300 -6.075 1.00 0.00 H new ATOM 91 N ARG A 6 -9.308 -3.138 -2.903 1.00 0.00 N ATOM 92 CA ARG A 6 -9.729 -2.781 -1.558 1.00 0.00 C ATOM 93 C ARG A 6 -10.753 -1.660 -1.643 1.00 0.00 C ATOM 94 O ARG A 6 -11.008 -1.138 -2.724 1.00 0.00 O ATOM 95 CB ARG A 6 -8.509 -2.307 -0.757 1.00 0.00 C ATOM 96 CG ARG A 6 -7.507 -3.423 -0.439 1.00 0.00 C ATOM 97 CD ARG A 6 -7.857 -4.167 0.851 1.00 0.00 C ATOM 98 NE ARG A 6 -9.204 -4.742 0.819 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.502 -6.014 0.541 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.550 -6.892 0.228 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.772 -6.403 0.578 1.00 0.00 N ATOM 0 H ARG A 6 -9.228 -2.336 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.173 -3.645 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.000 -1.523 -1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.850 -1.861 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.479 -4.130 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.508 -2.997 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.130 -4.962 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.778 -3.482 1.695 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.982 -4.116 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.574 -6.597 0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.797 -7.859 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.504 -5.734 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.015 -7.371 0.368 1.00 0.00 H new ATOM 115 N LYS A 7 -11.334 -1.286 -0.503 1.00 0.00 N ATOM 116 CA LYS A 7 -12.263 -0.172 -0.427 1.00 0.00 C ATOM 117 C LYS A 7 -11.871 0.735 0.728 1.00 0.00 C ATOM 118 O LYS A 7 -11.100 0.343 1.601 1.00 0.00 O ATOM 119 CB LYS A 7 -13.696 -0.679 -0.240 1.00 0.00 C ATOM 120 CG LYS A 7 -14.046 -1.845 -1.167 1.00 0.00 C ATOM 121 CD LYS A 7 -15.566 -2.005 -1.174 1.00 0.00 C ATOM 122 CE LYS A 7 -15.978 -3.339 -1.791 1.00 0.00 C ATOM 123 NZ LYS A 7 -17.441 -3.507 -1.731 1.00 0.00 N ATOM 0 H LYS A 7 -11.170 -1.750 0.390 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.220 0.391 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.832 -0.992 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.391 0.141 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.679 -1.653 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.568 -2.762 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.946 -1.940 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.018 -1.187 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.643 -3.386 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.490 -4.157 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.703 -4.420 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.753 -3.484 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.901 -2.736 -2.257 1.00 0.00 H new ATOM 137 N VAL A 8 -12.403 1.957 0.730 1.00 0.00 N ATOM 138 CA VAL A 8 -12.141 2.930 1.780 1.00 0.00 C ATOM 139 C VAL A 8 -12.437 2.303 3.142 1.00 0.00 C ATOM 140 O VAL A 8 -13.588 1.977 3.435 1.00 0.00 O ATOM 141 CB VAL A 8 -13.014 4.162 1.549 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.795 5.161 2.679 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.661 4.814 0.212 1.00 0.00 C ATOM 0 H VAL A 8 -13.029 2.297 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.094 3.232 1.760 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.060 3.857 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.418 6.040 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.063 4.700 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.747 5.459 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.289 5.691 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.613 5.115 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.828 4.101 -0.596 1.00 0.00 H new ATOM 153 N GLY A 9 -11.402 2.133 3.968 1.00 0.00 N ATOM 154 CA GLY A 9 -11.562 1.592 5.311 1.00 0.00 C ATOM 155 C GLY A 9 -10.904 0.223 5.481 1.00 0.00 C ATOM 156 O GLY A 9 -11.082 -0.409 6.521 1.00 0.00 O ATOM 0 H GLY A 9 -10.439 2.365 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.133 2.288 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.624 1.510 5.541 1.00 0.00 H new ATOM 160 N GLU A 10 -10.153 -0.244 4.479 1.00 0.00 N ATOM 161 CA GLU A 10 -9.496 -1.545 4.527 1.00 0.00 C ATOM 162 C GLU A 10 -7.973 -1.386 4.468 1.00 0.00 C ATOM 163 O GLU A 10 -7.468 -0.266 4.383 1.00 0.00 O ATOM 164 CB GLU A 10 -10.005 -2.422 3.377 1.00 0.00 C ATOM 165 CG GLU A 10 -11.516 -2.637 3.489 1.00 0.00 C ATOM 166 CD GLU A 10 -12.011 -3.623 2.436 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.582 -3.484 1.271 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.816 -4.510 2.799 1.00 0.00 O ATOM 0 H GLU A 10 -9.986 0.272 3.615 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.739 -2.032 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.769 -1.952 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.493 -3.384 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.760 -3.010 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.032 -1.684 3.370 1.00 0.00 H new ATOM 175 N SER A 11 -7.241 -2.504 4.514 1.00 0.00 N ATOM 176 CA SER A 11 -5.787 -2.473 4.631 1.00 0.00 C ATOM 177 C SER A 11 -5.113 -3.593 3.844 1.00 0.00 C ATOM 178 O SER A 11 -5.765 -4.519 3.366 1.00 0.00 O ATOM 179 CB SER A 11 -5.406 -2.586 6.110 1.00 0.00 C ATOM 180 OG SER A 11 -5.913 -1.487 6.833 1.00 0.00 O ATOM 0 H SER A 11 -7.637 -3.443 4.472 1.00 0.00 H new ATOM 0 HA SER A 11 -5.439 -1.530 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.800 -3.514 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.321 -2.627 6.211 1.00 0.00 H new ATOM 0 HG SER A 11 -5.663 -1.573 7.777 1.00 0.00 H new ATOM 186 N ILE A 12 -3.789 -3.484 3.723 1.00 0.00 N ATOM 187 CA ILE A 12 -2.907 -4.415 3.027 1.00 0.00 C ATOM 188 C ILE A 12 -1.669 -4.605 3.906 1.00 0.00 C ATOM 189 O ILE A 12 -1.435 -3.798 4.805 1.00 0.00 O ATOM 190 CB ILE A 12 -2.536 -3.824 1.657 1.00 0.00 C ATOM 191 CG1 ILE A 12 -3.760 -3.716 0.737 1.00 0.00 C ATOM 192 CG2 ILE A 12 -1.445 -4.646 0.959 1.00 0.00 C ATOM 193 CD1 ILE A 12 -4.363 -5.081 0.395 1.00 0.00 C ATOM 0 H ILE A 12 -3.278 -2.701 4.131 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.386 -5.379 2.855 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.150 -2.823 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.518 -3.099 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.474 -3.209 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.211 -4.196 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.549 -4.662 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.799 -5.666 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.225 -4.945 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.616 -5.692 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.677 -5.580 1.312 1.00 0.00 H new ATOM 205 N ASN A 13 -0.871 -5.650 3.666 1.00 0.00 N ATOM 206 CA ASN A 13 0.268 -5.929 4.527 1.00 0.00 C ATOM 207 C ASN A 13 1.493 -6.408 3.748 1.00 0.00 C ATOM 208 O ASN A 13 1.373 -7.011 2.681 1.00 0.00 O ATOM 209 CB ASN A 13 -0.169 -6.976 5.554 1.00 0.00 C ATOM 210 CG ASN A 13 0.881 -7.183 6.633 1.00 0.00 C ATOM 211 OD1 ASN A 13 1.866 -7.888 6.431 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.680 -6.569 7.790 1.00 0.00 N ATOM 0 H ASN A 13 -0.994 -6.304 2.893 1.00 0.00 H new ATOM 0 HA ASN A 13 0.574 -5.006 5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.106 -6.664 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.362 -7.922 5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.355 -6.675 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.150 -5.991 7.923 1.00 0.00 H new ATOM 219 N ILE A 14 2.672 -6.119 4.308 1.00 0.00 N ATOM 220 CA ILE A 14 3.967 -6.530 3.792 1.00 0.00 C ATOM 221 C ILE A 14 4.794 -6.997 4.986 1.00 0.00 C ATOM 222 O ILE A 14 5.117 -6.214 5.877 1.00 0.00 O ATOM 223 CB ILE A 14 4.652 -5.368 3.065 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.788 -4.899 1.884 1.00 0.00 C ATOM 225 CG2 ILE A 14 6.031 -5.826 2.583 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.425 -3.738 1.125 1.00 0.00 C ATOM 0 H ILE A 14 2.745 -5.571 5.165 1.00 0.00 H new ATOM 0 HA ILE A 14 3.860 -7.335 3.065 1.00 0.00 H new ATOM 0 HB ILE A 14 4.773 -4.526 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.628 -5.733 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.808 -4.595 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.526 -5.005 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.633 -6.130 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.917 -6.669 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.776 -3.443 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.561 -2.893 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.393 -4.048 0.732 1.00 0.00 H new ATOM 238 N GLY A 15 5.138 -8.287 5.008 1.00 0.00 N ATOM 239 CA GLY A 15 5.756 -8.912 6.163 1.00 0.00 C ATOM 240 C GLY A 15 7.186 -8.461 6.444 1.00 0.00 C ATOM 241 O GLY A 15 7.809 -8.974 7.374 1.00 0.00 O ATOM 0 H GLY A 15 4.993 -8.921 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.145 -8.705 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.752 -9.993 6.020 1.00 0.00 H new ATOM 245 N ASP A 16 7.715 -7.516 5.668 1.00 0.00 N ATOM 246 CA ASP A 16 9.013 -6.928 5.957 1.00 0.00 C ATOM 247 C ASP A 16 8.953 -6.110 7.254 1.00 0.00 C ATOM 248 O ASP A 16 9.992 -5.653 7.725 1.00 0.00 O ATOM 249 CB ASP A 16 9.456 -6.077 4.767 1.00 0.00 C ATOM 250 CG ASP A 16 10.884 -5.557 4.944 1.00 0.00 C ATOM 251 OD1 ASP A 16 11.798 -6.402 5.070 1.00 0.00 O ATOM 252 OD2 ASP A 16 11.051 -4.315 4.947 1.00 0.00 O ATOM 0 H ASP A 16 7.260 -7.144 4.834 1.00 0.00 H new ATOM 0 HA ASP A 16 9.751 -7.716 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.395 -6.669 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.774 -5.235 4.648 1.00 0.00 H new ATOM 257 N ASP A 17 7.738 -5.937 7.804 1.00 0.00 N ATOM 258 CA ASP A 17 7.385 -5.273 9.065 1.00 0.00 C ATOM 259 C ASP A 17 6.459 -4.079 8.801 1.00 0.00 C ATOM 260 O ASP A 17 6.499 -3.099 9.546 1.00 0.00 O ATOM 261 CB ASP A 17 8.594 -4.846 9.916 1.00 0.00 C ATOM 262 CG ASP A 17 9.398 -6.037 10.442 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.817 -7.141 10.552 1.00 0.00 O ATOM 264 OD2 ASP A 17 10.598 -5.835 10.741 1.00 0.00 O ATOM 0 H ASP A 17 6.906 -6.291 7.332 1.00 0.00 H new ATOM 0 HA ASP A 17 6.861 -6.022 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.246 -4.208 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.247 -4.247 10.758 1.00 0.00 H new ATOM 269 N ILE A 18 5.625 -4.145 7.757 1.00 0.00 N ATOM 270 CA ILE A 18 4.816 -2.996 7.351 1.00 0.00 C ATOM 271 C ILE A 18 3.359 -3.375 7.078 1.00 0.00 C ATOM 272 O ILE A 18 3.051 -4.500 6.688 1.00 0.00 O ATOM 273 CB ILE A 18 5.430 -2.340 6.103 1.00 0.00 C ATOM 274 CG1 ILE A 18 6.880 -1.895 6.331 1.00 0.00 C ATOM 275 CG2 ILE A 18 4.613 -1.109 5.697 1.00 0.00 C ATOM 276 CD1 ILE A 18 7.854 -2.967 5.845 1.00 0.00 C ATOM 0 H ILE A 18 5.495 -4.978 7.183 1.00 0.00 H new ATOM 0 HA ILE A 18 4.816 -2.289 8.181 1.00 0.00 H new ATOM 0 HB ILE A 18 5.415 -3.095 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.067 -0.960 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.044 -1.700 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.057 -0.653 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.589 -1.409 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.611 -0.388 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.877 -2.633 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.679 -3.893 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.702 -3.141 4.780 1.00 0.00 H new ATOM 288 N THR A 19 2.461 -2.408 7.291 1.00 0.00 N ATOM 289 CA THR A 19 1.046 -2.521 6.961 1.00 0.00 C ATOM 290 C THR A 19 0.604 -1.201 6.334 1.00 0.00 C ATOM 291 O THR A 19 1.184 -0.162 6.633 1.00 0.00 O ATOM 292 CB THR A 19 0.234 -2.832 8.227 1.00 0.00 C ATOM 293 OG1 THR A 19 0.845 -3.869 8.959 1.00 0.00 O ATOM 294 CG2 THR A 19 -1.188 -3.280 7.886 1.00 0.00 C ATOM 0 H THR A 19 2.707 -1.509 7.706 1.00 0.00 H new ATOM 0 HA THR A 19 0.878 -3.335 6.256 1.00 0.00 H new ATOM 0 HB THR A 19 0.198 -1.914 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.318 -4.056 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.733 -3.491 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.697 -2.488 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.149 -4.180 7.272 1.00 0.00 H new ATOM 302 N ILE A 20 -0.418 -1.234 5.472 1.00 0.00 N ATOM 303 CA ILE A 20 -0.860 -0.075 4.705 1.00 0.00 C ATOM 304 C ILE A 20 -2.384 0.014 4.765 1.00 0.00 C ATOM 305 O ILE A 20 -3.046 -1.011 4.921 1.00 0.00 O ATOM 306 CB ILE A 20 -0.397 -0.214 3.244 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.078 -0.611 3.109 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.637 1.094 2.488 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.047 0.471 3.588 1.00 0.00 C ATOM 0 H ILE A 20 -0.964 -2.076 5.289 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.428 0.833 5.127 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.989 -1.021 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.254 -1.523 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.290 -0.841 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.306 0.984 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.700 1.334 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.077 1.898 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.072 0.122 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.898 1.378 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.862 0.685 4.641 1.00 0.00 H new ATOM 321 N THR A 21 -2.946 1.220 4.641 1.00 0.00 N ATOM 322 CA THR A 21 -4.386 1.437 4.761 1.00 0.00 C ATOM 323 C THR A 21 -4.856 2.463 3.729 1.00 0.00 C ATOM 324 O THR A 21 -4.088 3.333 3.318 1.00 0.00 O ATOM 325 CB THR A 21 -4.693 1.921 6.183 1.00 0.00 C ATOM 326 OG1 THR A 21 -4.244 0.970 7.122 1.00 0.00 O ATOM 327 CG2 THR A 21 -6.188 2.144 6.414 1.00 0.00 C ATOM 0 H THR A 21 -2.414 2.070 4.455 1.00 0.00 H new ATOM 0 HA THR A 21 -4.918 0.505 4.571 1.00 0.00 H new ATOM 0 HB THR A 21 -4.176 2.872 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.782 0.154 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.351 2.486 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.556 2.896 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.724 1.209 6.255 1.00 0.00 H new ATOM 335 N ILE A 22 -6.125 2.356 3.311 1.00 0.00 N ATOM 336 CA ILE A 22 -6.748 3.263 2.355 1.00 0.00 C ATOM 337 C ILE A 22 -7.772 4.110 3.105 1.00 0.00 C ATOM 338 O ILE A 22 -8.923 3.713 3.291 1.00 0.00 O ATOM 339 CB ILE A 22 -7.328 2.470 1.164 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.186 3.333 0.234 1.00 0.00 C ATOM 341 CG2 ILE A 22 -8.148 1.259 1.616 1.00 0.00 C ATOM 342 CD1 ILE A 22 -7.362 4.437 -0.417 1.00 0.00 C ATOM 0 H ILE A 22 -6.753 1.621 3.638 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.021 3.945 1.914 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.457 2.124 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.632 2.706 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.007 3.775 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.534 0.734 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.514 0.585 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.980 1.594 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.001 5.031 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.938 5.078 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.557 3.993 -1.003 1.00 0.00 H new ATOM 354 N LEU A 23 -7.336 5.293 3.546 1.00 0.00 N ATOM 355 CA LEU A 23 -8.143 6.177 4.373 1.00 0.00 C ATOM 356 C LEU A 23 -9.303 6.777 3.586 1.00 0.00 C ATOM 357 O LEU A 23 -10.324 7.128 4.173 1.00 0.00 O ATOM 358 CB LEU A 23 -7.266 7.311 4.911 1.00 0.00 C ATOM 359 CG LEU A 23 -6.068 6.809 5.713 1.00 0.00 C ATOM 360 CD1 LEU A 23 -5.276 8.022 6.189 1.00 0.00 C ATOM 361 CD2 LEU A 23 -6.490 5.978 6.918 1.00 0.00 C ATOM 0 H LEU A 23 -6.408 5.661 3.335 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.553 5.588 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.910 7.915 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.871 7.963 5.541 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.466 6.166 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.413 7.690 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.937 8.596 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.911 8.648 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.604 5.643 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.110 6.584 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.059 5.111 6.581 1.00 0.00 H new ATOM 373 N GLY A 24 -9.163 6.898 2.267 1.00 0.00 N ATOM 374 CA GLY A 24 -10.237 7.408 1.431 1.00 0.00 C ATOM 375 C GLY A 24 -9.795 7.740 0.012 1.00 0.00 C ATOM 376 O GLY A 24 -8.660 7.480 -0.386 1.00 0.00 O ATOM 0 H GLY A 24 -8.315 6.649 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.038 6.669 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.653 8.304 1.893 1.00 0.00 H new ATOM 380 N VAL A 25 -10.718 8.324 -0.753 1.00 0.00 N ATOM 381 CA VAL A 25 -10.505 8.684 -2.149 1.00 0.00 C ATOM 382 C VAL A 25 -11.187 10.019 -2.434 1.00 0.00 C ATOM 383 O VAL A 25 -12.162 10.375 -1.766 1.00 0.00 O ATOM 384 CB VAL A 25 -11.028 7.555 -3.046 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.530 7.337 -2.863 1.00 0.00 C ATOM 386 CG2 VAL A 25 -10.757 7.843 -4.526 1.00 0.00 C ATOM 0 H VAL A 25 -11.649 8.563 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.443 8.807 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.493 6.655 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.863 6.529 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.736 7.074 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.064 8.252 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.141 7.023 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.254 8.770 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.683 7.942 -4.687 1.00 0.00 H new ATOM 396 N SER A 26 -10.675 10.756 -3.423 1.00 0.00 N ATOM 397 CA SER A 26 -11.142 12.088 -3.776 1.00 0.00 C ATOM 398 C SER A 26 -10.994 12.288 -5.280 1.00 0.00 C ATOM 399 O SER A 26 -10.224 13.134 -5.732 1.00 0.00 O ATOM 400 CB SER A 26 -10.339 13.142 -3.006 1.00 0.00 C ATOM 401 OG SER A 26 -10.520 12.980 -1.615 1.00 0.00 O ATOM 0 H SER A 26 -9.907 10.431 -4.010 1.00 0.00 H new ATOM 0 HA SER A 26 -12.193 12.196 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.281 13.055 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.656 14.141 -3.306 1.00 0.00 H new ATOM 0 HG SER A 26 -10.000 13.659 -1.136 1.00 0.00 H new ATOM 407 N GLY A 27 -11.738 11.502 -6.067 1.00 0.00 N ATOM 408 CA GLY A 27 -11.651 11.582 -7.515 1.00 0.00 C ATOM 409 C GLY A 27 -10.368 10.908 -7.984 1.00 0.00 C ATOM 410 O GLY A 27 -10.079 9.782 -7.582 1.00 0.00 O ATOM 0 H GLY A 27 -12.401 10.809 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.516 11.098 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.665 12.624 -7.834 1.00 0.00 H new ATOM 414 N GLN A 28 -9.597 11.592 -8.832 1.00 0.00 N ATOM 415 CA GLN A 28 -8.316 11.079 -9.290 1.00 0.00 C ATOM 416 C GLN A 28 -7.284 11.093 -8.157 1.00 0.00 C ATOM 417 O GLN A 28 -6.194 10.549 -8.316 1.00 0.00 O ATOM 418 CB GLN A 28 -7.851 11.911 -10.488 1.00 0.00 C ATOM 419 CG GLN A 28 -6.670 11.254 -11.211 1.00 0.00 C ATOM 420 CD GLN A 28 -6.264 12.016 -12.468 1.00 0.00 C ATOM 421 OE1 GLN A 28 -6.942 12.945 -12.900 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.144 11.625 -13.068 1.00 0.00 N ATOM 0 H GLN A 28 -9.844 12.505 -9.213 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.426 10.040 -9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.679 12.039 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.562 12.906 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.818 11.196 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.934 10.231 -11.479 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.604 10.850 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.825 12.100 -13.912 1.00 0.00 H new ATOM 431 N GLN A 29 -7.611 11.707 -7.011 1.00 0.00 N ATOM 432 CA GLN A 29 -6.708 11.727 -5.868 1.00 0.00 C ATOM 433 C GLN A 29 -7.108 10.642 -4.870 1.00 0.00 C ATOM 434 O GLN A 29 -8.237 10.161 -4.873 1.00 0.00 O ATOM 435 CB GLN A 29 -6.724 13.091 -5.170 1.00 0.00 C ATOM 436 CG GLN A 29 -6.308 14.213 -6.120 1.00 0.00 C ATOM 437 CD GLN A 29 -6.252 15.547 -5.387 1.00 0.00 C ATOM 438 OE1 GLN A 29 -6.951 16.487 -5.744 1.00 0.00 O ATOM 439 NE2 GLN A 29 -5.418 15.643 -4.353 1.00 0.00 N ATOM 0 H GLN A 29 -8.494 12.194 -6.858 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.699 11.539 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.724 13.292 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.050 13.070 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.332 13.988 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.015 14.276 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.849 14.841 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.348 16.518 -3.834 1.00 0.00 H new ATOM 448 N VAL A 30 -6.155 10.263 -4.016 1.00 0.00 N ATOM 449 CA VAL A 30 -6.296 9.161 -3.074 1.00 0.00 C ATOM 450 C VAL A 30 -5.582 9.492 -1.766 1.00 0.00 C ATOM 451 O VAL A 30 -4.563 10.183 -1.784 1.00 0.00 O ATOM 452 CB VAL A 30 -5.702 7.899 -3.713 1.00 0.00 C ATOM 453 CG1 VAL A 30 -5.543 6.768 -2.701 1.00 0.00 C ATOM 454 CG2 VAL A 30 -6.594 7.404 -4.851 1.00 0.00 C ATOM 0 H VAL A 30 -5.247 10.725 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.349 8.994 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.718 8.174 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.119 5.894 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.878 7.088 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.517 6.513 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.157 6.508 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.585 7.170 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.677 8.180 -5.612 1.00 0.00 H new ATOM 464 N ARG A 31 -6.113 8.998 -0.641 1.00 0.00 N ATOM 465 CA ARG A 31 -5.567 9.237 0.689 1.00 0.00 C ATOM 466 C ARG A 31 -5.262 7.890 1.336 1.00 0.00 C ATOM 467 O ARG A 31 -6.155 7.071 1.535 1.00 0.00 O ATOM 468 CB ARG A 31 -6.597 10.016 1.520 1.00 0.00 C ATOM 469 CG ARG A 31 -6.068 11.373 1.993 1.00 0.00 C ATOM 470 CD ARG A 31 -4.942 11.243 3.024 1.00 0.00 C ATOM 471 NE ARG A 31 -4.657 12.551 3.620 1.00 0.00 N ATOM 472 CZ ARG A 31 -5.323 13.043 4.671 1.00 0.00 C ATOM 473 NH1 ARG A 31 -6.273 12.326 5.263 1.00 0.00 N ATOM 474 NH2 ARG A 31 -5.046 14.259 5.133 1.00 0.00 N ATOM 0 H ARG A 31 -6.948 8.412 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.650 9.823 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.497 10.169 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.885 9.420 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.705 11.936 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.887 11.947 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.229 10.534 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.045 10.848 2.548 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.912 13.116 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.499 11.394 4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.776 12.708 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.322 14.822 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.557 14.629 5.935 1.00 0.00 H new ATOM 488 N ILE A 32 -3.991 7.674 1.673 1.00 0.00 N ATOM 489 CA ILE A 32 -3.509 6.404 2.200 1.00 0.00 C ATOM 490 C ILE A 32 -2.559 6.634 3.365 1.00 0.00 C ATOM 491 O ILE A 32 -1.983 7.711 3.505 1.00 0.00 O ATOM 492 CB ILE A 32 -2.802 5.608 1.091 1.00 0.00 C ATOM 493 CG1 ILE A 32 -1.813 6.505 0.332 1.00 0.00 C ATOM 494 CG2 ILE A 32 -3.847 5.008 0.145 1.00 0.00 C ATOM 495 CD1 ILE A 32 -1.072 5.742 -0.763 1.00 0.00 C ATOM 0 H ILE A 32 -3.263 8.383 1.586 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.364 5.831 2.560 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.231 4.794 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.351 7.343 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.092 6.924 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.345 4.444 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.505 4.344 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.435 5.809 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.383 6.415 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.512 4.919 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.791 5.346 -1.480 1.00 0.00 H new ATOM 507 N GLY A 33 -2.407 5.609 4.204 1.00 0.00 N ATOM 508 CA GLY A 33 -1.533 5.666 5.365 1.00 0.00 C ATOM 509 C GLY A 33 -0.607 4.462 5.393 1.00 0.00 C ATOM 510 O GLY A 33 -0.865 3.458 4.730 1.00 0.00 O ATOM 0 H GLY A 33 -2.889 4.717 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.945 6.584 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.130 5.694 6.276 1.00 0.00 H new ATOM 514 N ILE A 34 0.475 4.566 6.162 1.00 0.00 N ATOM 515 CA ILE A 34 1.506 3.546 6.235 1.00 0.00 C ATOM 516 C ILE A 34 1.834 3.287 7.703 1.00 0.00 C ATOM 517 O ILE A 34 1.841 4.210 8.520 1.00 0.00 O ATOM 518 CB ILE A 34 2.768 4.015 5.486 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.522 4.241 3.988 1.00 0.00 C ATOM 520 CG2 ILE A 34 3.879 2.964 5.625 1.00 0.00 C ATOM 521 CD1 ILE A 34 2.069 5.671 3.682 1.00 0.00 C ATOM 0 H ILE A 34 0.658 5.374 6.758 1.00 0.00 H new ATOM 0 HA ILE A 34 1.150 2.627 5.768 1.00 0.00 H new ATOM 0 HB ILE A 34 3.057 4.965 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.437 4.026 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.765 3.540 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.768 3.302 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.118 2.824 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.540 2.018 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.908 5.780 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.139 5.879 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.837 6.373 4.007 1.00 0.00 H new ATOM 533 N ASN A 35 2.109 2.023 8.024 1.00 0.00 N ATOM 534 CA ASN A 35 2.400 1.570 9.372 1.00 0.00 C ATOM 535 C ASN A 35 3.709 0.788 9.353 1.00 0.00 C ATOM 536 O ASN A 35 3.714 -0.443 9.438 1.00 0.00 O ATOM 537 CB ASN A 35 1.240 0.727 9.904 1.00 0.00 C ATOM 538 CG ASN A 35 -0.071 1.499 9.944 1.00 0.00 C ATOM 539 OD1 ASN A 35 -0.677 1.770 8.913 1.00 0.00 O ATOM 540 ND2 ASN A 35 -0.522 1.855 11.146 1.00 0.00 N ATOM 0 H ASN A 35 2.135 1.273 7.333 1.00 0.00 H new ATOM 0 HA ASN A 35 2.514 2.421 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.119 -0.156 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.481 0.375 10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.398 2.370 11.230 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.009 1.612 11.982 1.00 0.00 H new ATOM 547 N ALA A 36 4.816 1.521 9.235 1.00 0.00 N ATOM 548 CA ALA A 36 6.158 0.970 9.223 1.00 0.00 C ATOM 549 C ALA A 36 6.970 1.651 10.318 1.00 0.00 C ATOM 550 O ALA A 36 6.631 2.760 10.733 1.00 0.00 O ATOM 551 CB ALA A 36 6.785 1.234 7.853 1.00 0.00 C ATOM 0 H ALA A 36 4.797 2.537 9.143 1.00 0.00 H new ATOM 0 HA ALA A 36 6.139 -0.105 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.795 0.825 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.183 0.758 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.825 2.308 7.672 1.00 0.00 H new ATOM 557 N PRO A 37 8.040 1.007 10.799 1.00 0.00 N ATOM 558 CA PRO A 37 8.870 1.574 11.838 1.00 0.00 C ATOM 559 C PRO A 37 9.699 2.701 11.237 1.00 0.00 C ATOM 560 O PRO A 37 10.014 2.678 10.049 1.00 0.00 O ATOM 561 CB PRO A 37 9.746 0.419 12.317 1.00 0.00 C ATOM 562 CG PRO A 37 9.876 -0.459 11.071 1.00 0.00 C ATOM 563 CD PRO A 37 8.521 -0.293 10.387 1.00 0.00 C ATOM 0 HA PRO A 37 8.305 1.998 12.668 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.717 0.768 12.667 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.284 -0.121 13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.694 -0.130 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.072 -1.500 11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.618 -0.350 9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.830 -1.081 10.687 1.00 0.00 H new ATOM 571 N LYS A 38 10.058 3.697 12.046 1.00 0.00 N ATOM 572 CA LYS A 38 10.880 4.800 11.568 1.00 0.00 C ATOM 573 C LYS A 38 12.310 4.323 11.316 1.00 0.00 C ATOM 574 O LYS A 38 13.159 5.098 10.874 1.00 0.00 O ATOM 575 CB LYS A 38 10.802 5.972 12.547 1.00 0.00 C ATOM 576 CG LYS A 38 9.327 6.371 12.642 1.00 0.00 C ATOM 577 CD LYS A 38 9.109 7.647 13.451 1.00 0.00 C ATOM 578 CE LYS A 38 9.799 8.847 12.800 1.00 0.00 C ATOM 579 NZ LYS A 38 9.464 10.094 13.513 1.00 0.00 N ATOM 0 H LYS A 38 9.793 3.760 13.029 1.00 0.00 H new ATOM 0 HA LYS A 38 10.499 5.160 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.189 5.685 13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.407 6.809 12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.928 6.511 11.637 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.764 5.557 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.041 7.844 13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.493 7.509 14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.879 8.698 12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.493 8.926 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.943 10.895 13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.435 10.244 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.778 10.023 14.502 1.00 0.00 H new ATOM 593 N ASP A 39 12.569 3.042 11.595 1.00 0.00 N ATOM 594 CA ASP A 39 13.813 2.374 11.260 1.00 0.00 C ATOM 595 C ASP A 39 13.904 2.133 9.751 1.00 0.00 C ATOM 596 O ASP A 39 14.984 1.808 9.257 1.00 0.00 O ATOM 597 CB ASP A 39 13.902 1.047 12.008 1.00 0.00 C ATOM 598 CG ASP A 39 13.971 1.264 13.515 1.00 0.00 C ATOM 599 OD1 ASP A 39 15.091 1.524 14.012 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.905 1.168 14.162 1.00 0.00 O ATOM 0 H ASP A 39 11.901 2.435 12.070 1.00 0.00 H new ATOM 0 HA ASP A 39 14.645 3.012 11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.035 0.432 11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.784 0.499 11.677 1.00 0.00 H new ATOM 605 N VAL A 40 12.797 2.290 9.014 1.00 0.00 N ATOM 606 CA VAL A 40 12.820 2.227 7.558 1.00 0.00 C ATOM 607 C VAL A 40 12.219 3.490 6.954 1.00 0.00 C ATOM 608 O VAL A 40 11.272 4.077 7.483 1.00 0.00 O ATOM 609 CB VAL A 40 12.119 0.970 7.033 1.00 0.00 C ATOM 610 CG1 VAL A 40 12.738 -0.287 7.644 1.00 0.00 C ATOM 611 CG2 VAL A 40 10.618 0.987 7.311 1.00 0.00 C ATOM 0 H VAL A 40 11.873 2.462 9.410 1.00 0.00 H new ATOM 0 HA VAL A 40 13.863 2.165 7.246 1.00 0.00 H new ATOM 0 HB VAL A 40 12.260 0.959 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.226 -1.169 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.795 -0.337 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.635 -0.253 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.165 0.076 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.448 1.045 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.168 1.853 6.825 1.00 0.00 H new ATOM 621 N ALA A 41 12.791 3.905 5.823 1.00 0.00 N ATOM 622 CA ALA A 41 12.389 5.108 5.122 1.00 0.00 C ATOM 623 C ALA A 41 11.002 4.942 4.502 1.00 0.00 C ATOM 624 O ALA A 41 10.648 3.851 4.054 1.00 0.00 O ATOM 625 CB ALA A 41 13.422 5.402 4.034 1.00 0.00 C ATOM 0 H ALA A 41 13.555 3.404 5.369 1.00 0.00 H new ATOM 0 HA ALA A 41 12.338 5.938 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.136 6.305 3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.401 5.547 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.467 4.564 3.339 1.00 0.00 H new ATOM 631 N VAL A 42 10.228 6.025 4.482 1.00 0.00 N ATOM 632 CA VAL A 42 8.910 6.055 3.867 1.00 0.00 C ATOM 633 C VAL A 42 8.674 7.453 3.299 1.00 0.00 C ATOM 634 O VAL A 42 8.597 8.420 4.055 1.00 0.00 O ATOM 635 CB VAL A 42 7.834 5.728 4.907 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.457 5.727 4.256 1.00 0.00 C ATOM 637 CG2 VAL A 42 8.030 4.351 5.542 1.00 0.00 C ATOM 0 H VAL A 42 10.505 6.914 4.898 1.00 0.00 H new ATOM 0 HA VAL A 42 8.857 5.312 3.071 1.00 0.00 H new ATOM 0 HB VAL A 42 7.916 6.495 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.701 5.493 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.255 6.710 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.429 4.977 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.240 4.171 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.991 3.585 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.999 4.315 6.040 1.00 0.00 H new ATOM 647 N HIS A 43 8.562 7.546 1.969 1.00 0.00 N ATOM 648 CA HIS A 43 8.374 8.804 1.247 1.00 0.00 C ATOM 649 C HIS A 43 7.517 8.562 0.001 1.00 0.00 C ATOM 650 O HIS A 43 7.042 7.448 -0.213 1.00 0.00 O ATOM 651 CB HIS A 43 9.726 9.395 0.814 1.00 0.00 C ATOM 652 CG HIS A 43 10.786 9.445 1.886 1.00 0.00 C ATOM 653 ND1 HIS A 43 11.178 10.591 2.571 1.00 0.00 N ATOM 654 CD2 HIS A 43 11.517 8.380 2.334 1.00 0.00 C ATOM 655 CE1 HIS A 43 12.138 10.192 3.419 1.00 0.00 C ATOM 656 NE2 HIS A 43 12.361 8.871 3.303 1.00 0.00 N ATOM 0 H HIS A 43 8.601 6.732 1.355 1.00 0.00 H new ATOM 0 HA HIS A 43 7.877 9.507 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.107 8.810 -0.023 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.559 10.407 0.445 1.00 0.00 H new ATOM 0 HD1 HIS A 43 10.812 11.536 2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.446 7.357 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.661 10.844 4.103 1.00 0.00 H new ATOM 664 N ARG A 44 7.314 9.595 -0.828 1.00 0.00 N ATOM 665 CA ARG A 44 6.541 9.463 -2.059 1.00 0.00 C ATOM 666 C ARG A 44 7.428 9.639 -3.293 1.00 0.00 C ATOM 667 O ARG A 44 8.440 10.329 -3.240 1.00 0.00 O ATOM 668 CB ARG A 44 5.307 10.375 -2.024 1.00 0.00 C ATOM 669 CG ARG A 44 5.481 11.775 -1.426 1.00 0.00 C ATOM 670 CD ARG A 44 6.527 12.621 -2.144 1.00 0.00 C ATOM 671 NE ARG A 44 6.082 14.016 -2.270 1.00 0.00 N ATOM 672 CZ ARG A 44 6.384 15.013 -1.435 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.099 14.806 -0.335 1.00 0.00 N ATOM 674 NH2 ARG A 44 5.968 16.247 -1.688 1.00 0.00 N ATOM 0 H ARG A 44 7.678 10.533 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 44 6.153 8.447 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.943 10.488 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.526 9.863 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.523 12.295 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.761 11.680 -0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.468 12.584 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.718 12.206 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 44 5.489 14.243 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.431 13.868 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.316 15.585 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.415 16.437 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.201 17.005 -1.047 1.00 0.00 H new ATOM 688 N GLU A 45 7.038 9.004 -4.404 1.00 0.00 N ATOM 689 CA GLU A 45 7.892 8.859 -5.580 1.00 0.00 C ATOM 690 C GLU A 45 8.320 10.173 -6.231 1.00 0.00 C ATOM 691 O GLU A 45 9.343 10.195 -6.912 1.00 0.00 O ATOM 692 CB GLU A 45 7.220 7.928 -6.593 1.00 0.00 C ATOM 693 CG GLU A 45 6.034 8.562 -7.328 1.00 0.00 C ATOM 694 CD GLU A 45 6.450 9.448 -8.502 1.00 0.00 C ATOM 695 OE1 GLU A 45 7.245 8.973 -9.341 1.00 0.00 O ATOM 696 OE2 GLU A 45 5.964 10.599 -8.552 1.00 0.00 O ATOM 0 H GLU A 45 6.118 8.576 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 45 8.824 8.418 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.961 7.610 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.877 7.032 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.378 7.772 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.454 9.156 -6.622 1.00 0.00 H new ATOM 703 N GLU A 46 7.570 11.260 -6.045 1.00 0.00 N ATOM 704 CA GLU A 46 7.933 12.535 -6.653 1.00 0.00 C ATOM 705 C GLU A 46 9.090 13.182 -5.892 1.00 0.00 C ATOM 706 O GLU A 46 9.536 14.272 -6.247 1.00 0.00 O ATOM 707 CB GLU A 46 6.711 13.457 -6.732 1.00 0.00 C ATOM 708 CG GLU A 46 6.120 13.727 -5.351 1.00 0.00 C ATOM 709 CD GLU A 46 4.842 14.557 -5.419 1.00 0.00 C ATOM 710 OE1 GLU A 46 4.746 15.436 -6.304 1.00 0.00 O ATOM 711 OE2 GLU A 46 3.962 14.294 -4.570 1.00 0.00 O ATOM 0 H GLU A 46 6.718 11.282 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 46 8.275 12.357 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.996 14.401 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.953 13.003 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.908 12.779 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.856 14.248 -4.739 1.00 0.00 H new ATOM 718 N ILE A 47 9.579 12.508 -4.844 1.00 0.00 N ATOM 719 CA ILE A 47 10.709 12.966 -4.049 1.00 0.00 C ATOM 720 C ILE A 47 11.654 11.816 -3.710 1.00 0.00 C ATOM 721 O ILE A 47 12.837 12.056 -3.503 1.00 0.00 O ATOM 722 CB ILE A 47 10.179 13.657 -2.783 1.00 0.00 C ATOM 723 CG1 ILE A 47 10.117 15.165 -3.040 1.00 0.00 C ATOM 724 CG2 ILE A 47 11.017 13.331 -1.542 1.00 0.00 C ATOM 725 CD1 ILE A 47 10.047 15.960 -1.739 1.00 0.00 C ATOM 0 H ILE A 47 9.192 11.620 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 47 11.291 13.683 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 47 9.180 13.278 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.995 15.473 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.245 15.394 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.599 13.844 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.005 12.255 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.044 13.661 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.004 17.025 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.155 15.671 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.932 15.752 -1.137 1.00 0.00 H new ATOM 737 N TYR A 48 11.172 10.572 -3.644 1.00 0.00 N ATOM 738 CA TYR A 48 12.032 9.474 -3.229 1.00 0.00 C ATOM 739 C TYR A 48 13.197 9.311 -4.197 1.00 0.00 C ATOM 740 O TYR A 48 14.297 8.921 -3.803 1.00 0.00 O ATOM 741 CB TYR A 48 11.222 8.182 -3.153 1.00 0.00 C ATOM 742 CG TYR A 48 12.077 7.006 -2.742 1.00 0.00 C ATOM 743 CD1 TYR A 48 12.735 6.251 -3.725 1.00 0.00 C ATOM 744 CD2 TYR A 48 12.215 6.679 -1.388 1.00 0.00 C ATOM 745 CE1 TYR A 48 13.534 5.162 -3.354 1.00 0.00 C ATOM 746 CE2 TYR A 48 13.008 5.588 -1.008 1.00 0.00 C ATOM 747 CZ TYR A 48 13.661 4.816 -1.988 1.00 0.00 C ATOM 748 OH TYR A 48 14.409 3.739 -1.619 1.00 0.00 O ATOM 0 H TYR A 48 10.212 10.309 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 48 12.436 9.699 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.407 8.306 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.768 7.980 -4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.625 6.510 -4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.710 7.268 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.052 4.588 -4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.118 5.339 0.037 1.00 0.00 H new ATOM 0 HH TYR A 48 14.140 3.446 -0.723 1.00 0.00 H new ATOM 758 N GLN A 49 12.956 9.612 -5.472 1.00 0.00 N ATOM 759 CA GLN A 49 13.962 9.482 -6.513 1.00 0.00 C ATOM 760 C GLN A 49 15.010 10.584 -6.390 1.00 0.00 C ATOM 761 O GLN A 49 16.058 10.515 -7.031 1.00 0.00 O ATOM 762 CB GLN A 49 13.265 9.518 -7.873 1.00 0.00 C ATOM 763 CG GLN A 49 12.186 8.436 -7.901 1.00 0.00 C ATOM 764 CD GLN A 49 11.476 8.377 -9.247 1.00 0.00 C ATOM 765 OE1 GLN A 49 12.042 7.936 -10.244 1.00 0.00 O ATOM 766 NE2 GLN A 49 10.224 8.826 -9.282 1.00 0.00 N ATOM 0 H GLN A 49 12.055 9.953 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 49 14.486 8.532 -6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.821 10.499 -8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.987 9.352 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.637 7.467 -7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.457 8.630 -7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.787 9.185 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.701 8.811 -10.158 1.00 0.00 H new ATOM 775 N ARG A 50 14.733 11.604 -5.571 1.00 0.00 N ATOM 776 CA ARG A 50 15.677 12.674 -5.286 1.00 0.00 C ATOM 777 C ARG A 50 16.476 12.343 -4.029 1.00 0.00 C ATOM 778 O ARG A 50 17.601 12.806 -3.879 1.00 0.00 O ATOM 779 CB ARG A 50 14.913 13.999 -5.157 1.00 0.00 C ATOM 780 CG ARG A 50 14.791 14.510 -3.719 1.00 0.00 C ATOM 781 CD ARG A 50 13.896 15.748 -3.700 1.00 0.00 C ATOM 782 NE ARG A 50 14.540 16.888 -4.363 1.00 0.00 N ATOM 783 CZ ARG A 50 13.981 18.097 -4.478 1.00 0.00 C ATOM 784 NH1 ARG A 50 12.770 18.340 -3.984 1.00 0.00 N ATOM 785 NH2 ARG A 50 14.639 19.076 -5.093 1.00 0.00 N ATOM 0 H ARG A 50 13.841 11.705 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 50 16.391 12.776 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 50 15.415 14.756 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.913 13.872 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.372 13.734 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.777 14.753 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.952 15.523 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.660 16.011 -2.669 1.00 0.00 H new ATOM 0 HE ARG A 50 15.469 16.750 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.255 17.599 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.357 19.268 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.569 18.904 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.214 19.999 -5.182 1.00 0.00 H new ATOM 799 N ILE A 51 15.891 11.545 -3.129 1.00 0.00 N ATOM 800 CA ILE A 51 16.555 11.099 -1.911 1.00 0.00 C ATOM 801 C ILE A 51 17.635 10.085 -2.264 1.00 0.00 C ATOM 802 O ILE A 51 18.786 10.224 -1.860 1.00 0.00 O ATOM 803 CB ILE A 51 15.529 10.459 -0.972 1.00 0.00 C ATOM 804 CG1 ILE A 51 14.491 11.486 -0.532 1.00 0.00 C ATOM 805 CG2 ILE A 51 16.211 9.887 0.274 1.00 0.00 C ATOM 806 CD1 ILE A 51 13.363 10.829 0.255 1.00 0.00 C ATOM 0 H ILE A 51 14.939 11.192 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 51 17.013 11.953 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 51 15.041 9.653 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 51 14.969 12.250 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 51 14.081 11.990 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 15.461 9.438 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 51 16.935 9.128 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.723 10.687 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.639 11.587 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.870 10.083 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.772 10.347 1.143 1.00 0.00 H new ATOM 818 N GLN A 52 17.248 9.059 -3.027 1.00 0.00 N ATOM 819 CA GLN A 52 18.134 7.964 -3.384 1.00 0.00 C ATOM 820 C GLN A 52 19.162 8.386 -4.429 1.00 0.00 C ATOM 821 O GLN A 52 19.927 7.554 -4.916 1.00 0.00 O ATOM 822 CB GLN A 52 17.304 6.756 -3.835 1.00 0.00 C ATOM 823 CG GLN A 52 16.429 6.276 -2.674 1.00 0.00 C ATOM 824 CD GLN A 52 17.201 6.206 -1.365 1.00 0.00 C ATOM 825 OE1 GLN A 52 18.246 5.567 -1.279 1.00 0.00 O ATOM 826 NE2 GLN A 52 16.686 6.871 -0.338 1.00 0.00 N ATOM 0 H GLN A 52 16.308 8.971 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 52 18.707 7.673 -2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.680 7.027 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 52 17.962 5.952 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.580 6.950 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.025 5.291 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.815 7.390 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 52 17.161 6.863 0.565 1.00 0.00 H new ATOM 835 N ALA A 53 19.181 9.676 -4.774 1.00 0.00 N ATOM 836 CA ALA A 53 20.161 10.200 -5.701 1.00 0.00 C ATOM 837 C ALA A 53 21.555 10.218 -5.068 1.00 0.00 C ATOM 838 O ALA A 53 22.551 10.301 -5.789 1.00 0.00 O ATOM 839 CB ALA A 53 19.750 11.609 -6.126 1.00 0.00 C ATOM 0 H ALA A 53 18.523 10.370 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 53 20.201 9.554 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.486 12.008 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.773 11.573 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.697 12.253 -5.248 1.00 0.00 H new ATOM 845 N GLY A 54 21.637 10.143 -3.733 1.00 0.00 N ATOM 846 CA GLY A 54 22.909 10.118 -3.026 1.00 0.00 C ATOM 847 C GLY A 54 22.895 10.980 -1.767 1.00 0.00 C ATOM 848 O GLY A 54 23.955 11.287 -1.221 1.00 0.00 O ATOM 0 H GLY A 54 20.822 10.098 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.151 9.090 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.698 10.466 -3.692 1.00 0.00 H new ATOM 852 N LEU A 55 21.708 11.372 -1.294 1.00 0.00 N ATOM 853 CA LEU A 55 21.553 12.289 -0.177 1.00 0.00 C ATOM 854 C LEU A 55 20.439 11.834 0.763 1.00 0.00 C ATOM 855 O LEU A 55 19.912 10.731 0.621 1.00 0.00 O ATOM 856 CB LEU A 55 21.307 13.693 -0.742 1.00 0.00 C ATOM 857 CG LEU A 55 20.099 13.758 -1.688 1.00 0.00 C ATOM 858 CD1 LEU A 55 18.768 13.672 -0.945 1.00 0.00 C ATOM 859 CD2 LEU A 55 20.141 15.085 -2.431 1.00 0.00 C ATOM 0 H LEU A 55 20.822 11.054 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 55 22.460 12.304 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.153 14.388 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.198 14.025 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 55 20.162 12.906 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 17.948 13.723 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 55 18.716 12.730 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.689 14.502 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.290 15.150 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.097 15.905 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.066 15.152 -3.003 1.00 0.00 H new ATOM 871 N THR A 56 20.075 12.685 1.726 1.00 0.00 N ATOM 872 CA THR A 56 18.995 12.413 2.667 1.00 0.00 C ATOM 873 C THR A 56 18.179 13.682 2.912 1.00 0.00 C ATOM 874 O THR A 56 18.518 14.748 2.396 1.00 0.00 O ATOM 875 CB THR A 56 19.567 11.853 3.974 1.00 0.00 C ATOM 876 OG1 THR A 56 20.472 12.779 4.538 1.00 0.00 O ATOM 877 CG2 THR A 56 20.296 10.535 3.709 1.00 0.00 C ATOM 0 H THR A 56 20.527 13.587 1.872 1.00 0.00 H new ATOM 0 HA THR A 56 18.327 11.663 2.244 1.00 0.00 H new ATOM 0 HB THR A 56 18.744 11.677 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.833 12.416 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 56 20.698 10.147 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 56 19.598 9.812 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.112 10.705 3.007 1.00 0.00 H new ATOM 885 N ALA A 57 17.099 13.572 3.691 1.00 0.00 N ATOM 886 CA ALA A 57 16.195 14.681 3.970 1.00 0.00 C ATOM 887 C ALA A 57 16.944 15.919 4.486 1.00 0.00 C ATOM 888 O ALA A 57 18.004 15.797 5.099 1.00 0.00 O ATOM 889 CB ALA A 57 15.166 14.218 5.000 1.00 0.00 C ATOM 0 H ALA A 57 16.829 12.701 4.148 1.00 0.00 H new ATOM 0 HA ALA A 57 15.703 14.973 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.480 15.035 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.606 13.373 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.677 13.915 5.914 1.00 0.00 H new ATOM 895 N PRO A 58 16.390 17.112 4.234 1.00 0.00 N ATOM 896 CA PRO A 58 16.958 18.380 4.655 1.00 0.00 C ATOM 897 C PRO A 58 16.884 18.580 6.169 1.00 0.00 C ATOM 898 O PRO A 58 16.485 17.688 6.916 1.00 0.00 O ATOM 899 CB PRO A 58 16.165 19.460 3.918 1.00 0.00 C ATOM 900 CG PRO A 58 14.813 18.799 3.661 1.00 0.00 C ATOM 901 CD PRO A 58 15.156 17.320 3.501 1.00 0.00 C ATOM 0 HA PRO A 58 18.020 18.420 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.062 20.363 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.653 19.751 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.124 18.963 4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.336 19.198 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.358 16.690 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.279 17.060 2.450 1.00 0.00 H new ATOM 909 N ASP A 59 17.282 19.772 6.611 1.00 0.00 N ATOM 910 CA ASP A 59 17.396 20.118 8.019 1.00 0.00 C ATOM 911 C ASP A 59 17.044 21.596 8.224 1.00 0.00 C ATOM 912 O ASP A 59 16.941 22.351 7.258 1.00 0.00 O ATOM 913 CB ASP A 59 18.843 19.838 8.425 1.00 0.00 C ATOM 914 CG ASP A 59 19.123 20.258 9.867 1.00 0.00 C ATOM 915 OD1 ASP A 59 18.614 19.569 10.780 1.00 0.00 O ATOM 916 OD2 ASP A 59 19.847 21.261 10.042 1.00 0.00 O ATOM 0 H ASP A 59 17.538 20.536 5.985 1.00 0.00 H new ATOM 0 HA ASP A 59 16.709 19.534 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.053 18.775 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.517 20.371 7.755 1.00 0.00 H new ATOM 1635 N MET C 1 1.529 7.068 12.828 1.00 0.00 N ATOM 1636 CA MET C 1 1.195 6.572 11.480 1.00 0.00 C ATOM 1637 C MET C 1 1.472 7.658 10.447 1.00 0.00 C ATOM 1638 O MET C 1 1.071 8.800 10.648 1.00 0.00 O ATOM 1639 CB MET C 1 -0.272 6.141 11.412 1.00 0.00 C ATOM 1640 CG MET C 1 -0.507 5.232 10.206 1.00 0.00 C ATOM 1641 SD MET C 1 -2.195 4.594 10.062 1.00 0.00 S ATOM 1642 CE MET C 1 -3.042 6.101 9.532 1.00 0.00 C ATOM 0 H1 MET C 1 0.786 6.782 13.497 1.00 0.00 H new ATOM 0 H2 MET C 1 2.440 6.667 13.130 1.00 0.00 H new ATOM 0 H3 MET C 1 1.597 8.106 12.809 1.00 0.00 H new ATOM 0 HA MET C 1 1.818 5.704 11.263 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.546 5.618 12.328 1.00 0.00 H new ATOM 0 HB3 MET C 1 -0.913 7.020 11.343 1.00 0.00 H new ATOM 0 HG2 MET C 1 -0.262 5.784 9.298 1.00 0.00 H new ATOM 0 HG3 MET C 1 0.182 4.390 10.263 1.00 0.00 H new ATOM 0 HE1 MET C 1 -4.084 5.873 9.308 1.00 0.00 H new ATOM 0 HE2 MET C 1 -2.996 6.843 10.329 1.00 0.00 H new ATOM 0 HE3 MET C 1 -2.557 6.496 8.639 1.00 0.00 H new ATOM 1654 N LEU C 2 2.148 7.312 9.349 1.00 0.00 N ATOM 1655 CA LEU C 2 2.472 8.281 8.308 1.00 0.00 C ATOM 1656 C LEU C 2 1.354 8.254 7.266 1.00 0.00 C ATOM 1657 O LEU C 2 0.948 7.178 6.832 1.00 0.00 O ATOM 1658 CB LEU C 2 3.832 7.895 7.704 1.00 0.00 C ATOM 1659 CG LEU C 2 4.616 9.019 7.005 1.00 0.00 C ATOM 1660 CD1 LEU C 2 5.559 8.394 5.982 1.00 0.00 C ATOM 1661 CD2 LEU C 2 3.757 10.064 6.305 1.00 0.00 C ATOM 0 H LEU C 2 2.480 6.366 9.161 1.00 0.00 H new ATOM 0 HA LEU C 2 2.547 9.295 8.700 1.00 0.00 H new ATOM 0 HB2 LEU C 2 4.456 7.488 8.500 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.670 7.093 6.984 1.00 0.00 H new ATOM 0 HG LEU C 2 5.148 9.550 7.795 1.00 0.00 H new ATOM 0 HD11 LEU C 2 6.122 9.180 5.478 1.00 0.00 H new ATOM 0 HD12 LEU C 2 6.250 7.720 6.488 1.00 0.00 H new ATOM 0 HD13 LEU C 2 4.980 7.835 5.247 1.00 0.00 H new ATOM 0 HD21 LEU C 2 4.400 10.813 5.843 1.00 0.00 H new ATOM 0 HD22 LEU C 2 3.151 9.582 5.537 1.00 0.00 H new ATOM 0 HD23 LEU C 2 3.104 10.545 7.033 1.00 0.00 H new ATOM 1673 N ILE C 3 0.855 9.425 6.860 1.00 0.00 N ATOM 1674 CA ILE C 3 -0.182 9.546 5.838 1.00 0.00 C ATOM 1675 C ILE C 3 0.389 10.317 4.659 1.00 0.00 C ATOM 1676 O ILE C 3 1.221 11.200 4.838 1.00 0.00 O ATOM 1677 CB ILE C 3 -1.436 10.261 6.382 1.00 0.00 C ATOM 1678 CG1 ILE C 3 -2.270 9.352 7.286 1.00 0.00 C ATOM 1679 CG2 ILE C 3 -2.365 10.699 5.247 1.00 0.00 C ATOM 1680 CD1 ILE C 3 -1.690 9.251 8.692 1.00 0.00 C ATOM 0 H ILE C 3 1.164 10.321 7.236 1.00 0.00 H new ATOM 0 HA ILE C 3 -0.489 8.547 5.527 1.00 0.00 H new ATOM 0 HB ILE C 3 -1.059 11.118 6.941 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -3.289 9.734 7.342 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -2.326 8.357 6.845 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.239 11.199 5.665 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -1.835 11.385 4.587 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -2.684 9.824 4.680 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -2.316 8.595 9.297 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -0.680 8.843 8.641 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -1.659 10.242 9.145 1.00 0.00 H new ATOM 1692 N LEU C 4 -0.069 9.975 3.460 1.00 0.00 N ATOM 1693 CA LEU C 4 0.332 10.630 2.232 1.00 0.00 C ATOM 1694 C LEU C 4 -0.871 10.684 1.303 1.00 0.00 C ATOM 1695 O LEU C 4 -1.886 10.024 1.539 1.00 0.00 O ATOM 1696 CB LEU C 4 1.479 9.851 1.568 1.00 0.00 C ATOM 1697 CG LEU C 4 2.769 9.861 2.390 1.00 0.00 C ATOM 1698 CD1 LEU C 4 3.803 8.939 1.742 1.00 0.00 C ATOM 1699 CD2 LEU C 4 3.368 11.266 2.463 1.00 0.00 C ATOM 0 H LEU C 4 -0.741 9.221 3.317 1.00 0.00 H new ATOM 0 HA LEU C 4 0.684 11.639 2.445 1.00 0.00 H new ATOM 0 HB2 LEU C 4 1.165 8.819 1.409 1.00 0.00 H new ATOM 0 HB3 LEU C 4 1.679 10.278 0.585 1.00 0.00 H new ATOM 0 HG LEU C 4 2.522 9.520 3.395 1.00 0.00 H new ATOM 0 HD11 LEU C 4 4.720 8.950 2.331 1.00 0.00 H new ATOM 0 HD12 LEU C 4 3.410 7.923 1.701 1.00 0.00 H new ATOM 0 HD13 LEU C 4 4.017 9.286 0.731 1.00 0.00 H new ATOM 0 HD21 LEU C 4 4.284 11.241 3.054 1.00 0.00 H new ATOM 0 HD22 LEU C 4 3.595 11.618 1.457 1.00 0.00 H new ATOM 0 HD23 LEU C 4 2.653 11.943 2.931 1.00 0.00 H new ATOM 1711 N THR C 5 -0.753 11.474 0.240 1.00 0.00 N ATOM 1712 CA THR C 5 -1.805 11.632 -0.743 1.00 0.00 C ATOM 1713 C THR C 5 -1.177 11.382 -2.103 1.00 0.00 C ATOM 1714 O THR C 5 -0.044 11.791 -2.357 1.00 0.00 O ATOM 1715 CB THR C 5 -2.410 13.032 -0.612 1.00 0.00 C ATOM 1716 OG1 THR C 5 -2.918 13.178 0.698 1.00 0.00 O ATOM 1717 CG2 THR C 5 -3.557 13.276 -1.588 1.00 0.00 C ATOM 0 H THR C 5 0.083 12.023 0.041 1.00 0.00 H new ATOM 0 HA THR C 5 -2.624 10.927 -0.599 1.00 0.00 H new ATOM 0 HB THR C 5 -1.621 13.750 -0.835 1.00 0.00 H new ATOM 0 HG1 THR C 5 -3.308 14.071 0.800 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.945 14.285 -1.448 1.00 0.00 H new ATOM 0 HG22 THR C 5 -3.195 13.165 -2.610 1.00 0.00 H new ATOM 0 HG23 THR C 5 -4.351 12.553 -1.404 1.00 0.00 H new ATOM 1725 N ARG C 6 -1.908 10.707 -2.988 1.00 0.00 N ATOM 1726 CA ARG C 6 -1.357 10.288 -4.267 1.00 0.00 C ATOM 1727 C ARG C 6 -2.458 10.343 -5.314 1.00 0.00 C ATOM 1728 O ARG C 6 -3.613 10.580 -4.972 1.00 0.00 O ATOM 1729 CB ARG C 6 -0.792 8.872 -4.085 1.00 0.00 C ATOM 1730 CG ARG C 6 0.249 8.455 -5.128 1.00 0.00 C ATOM 1731 CD ARG C 6 1.541 9.277 -5.041 1.00 0.00 C ATOM 1732 NE ARG C 6 1.429 10.578 -5.719 1.00 0.00 N ATOM 1733 CZ ARG C 6 2.042 11.705 -5.347 1.00 0.00 C ATOM 1734 NH1 ARG C 6 2.811 11.748 -4.263 1.00 0.00 N ATOM 1735 NH2 ARG C 6 1.886 12.808 -6.071 1.00 0.00 N ATOM 0 H ARG C 6 -2.881 10.441 -2.840 1.00 0.00 H new ATOM 0 HA ARG C 6 -0.553 10.942 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -0.342 8.800 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -1.617 8.161 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG C 6 0.486 7.399 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -0.179 8.563 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG C 6 1.795 9.438 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.359 8.709 -5.484 1.00 0.00 H new ATOM 0 HE ARG C 6 0.832 10.623 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.942 10.910 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG C 6 3.270 12.619 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.301 12.791 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG C 6 2.352 13.671 -5.792 1.00 0.00 H new ATOM 1749 N LYS C 7 -2.118 10.130 -6.589 1.00 0.00 N ATOM 1750 CA LYS C 7 -3.106 10.188 -7.654 1.00 0.00 C ATOM 1751 C LYS C 7 -2.919 9.021 -8.610 1.00 0.00 C ATOM 1752 O LYS C 7 -1.826 8.469 -8.705 1.00 0.00 O ATOM 1753 CB LYS C 7 -2.990 11.524 -8.394 1.00 0.00 C ATOM 1754 CG LYS C 7 -2.833 12.680 -7.401 1.00 0.00 C ATOM 1755 CD LYS C 7 -2.836 14.024 -8.126 1.00 0.00 C ATOM 1756 CE LYS C 7 -2.460 15.137 -7.146 1.00 0.00 C ATOM 1757 NZ LYS C 7 -2.302 16.429 -7.835 1.00 0.00 N ATOM 0 H LYS C 7 -1.170 9.918 -6.901 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.104 10.114 -7.223 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -2.134 11.499 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -3.876 11.683 -9.008 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -3.644 12.653 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -1.902 12.564 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -2.130 14.002 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -3.821 14.217 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -3.230 15.224 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -1.531 14.878 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -2.047 17.163 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -1.551 16.352 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -3.196 16.687 -8.299 1.00 0.00 H new ATOM 1771 N VAL C 8 -3.991 8.647 -9.310 1.00 0.00 N ATOM 1772 CA VAL C 8 -3.985 7.517 -10.227 1.00 0.00 C ATOM 1773 C VAL C 8 -2.813 7.624 -11.199 1.00 0.00 C ATOM 1774 O VAL C 8 -2.766 8.539 -12.020 1.00 0.00 O ATOM 1775 CB VAL C 8 -5.316 7.466 -10.983 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -5.278 6.343 -12.017 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -6.464 7.217 -10.004 1.00 0.00 C ATOM 0 H VAL C 8 -4.890 9.125 -9.253 1.00 0.00 H new ATOM 0 HA VAL C 8 -3.865 6.594 -9.659 1.00 0.00 H new ATOM 0 HB VAL C 8 -5.474 8.420 -11.487 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -6.227 6.310 -12.553 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.468 6.526 -12.723 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.112 5.391 -11.514 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.407 7.182 -10.550 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.306 6.268 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -6.499 8.023 -9.271 1.00 0.00 H new ATOM 1787 N GLY C 9 -1.868 6.680 -11.108 1.00 0.00 N ATOM 1788 CA GLY C 9 -0.731 6.635 -12.013 1.00 0.00 C ATOM 1789 C GLY C 9 0.580 7.019 -11.333 1.00 0.00 C ATOM 1790 O GLY C 9 1.587 7.215 -12.014 1.00 0.00 O ATOM 0 H GLY C 9 -1.876 5.936 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.640 5.630 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.912 7.309 -12.851 1.00 0.00 H new ATOM 1794 N GLU C 10 0.579 7.130 -10.003 1.00 0.00 N ATOM 1795 CA GLU C 10 1.759 7.517 -9.241 1.00 0.00 C ATOM 1796 C GLU C 10 2.080 6.460 -8.180 1.00 0.00 C ATOM 1797 O GLU C 10 1.374 5.460 -8.068 1.00 0.00 O ATOM 1798 CB GLU C 10 1.528 8.895 -8.614 1.00 0.00 C ATOM 1799 CG GLU C 10 1.259 9.959 -9.679 1.00 0.00 C ATOM 1800 CD GLU C 10 1.003 11.322 -9.043 1.00 0.00 C ATOM 1801 OE1 GLU C 10 0.267 11.364 -8.031 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.546 12.318 -9.569 1.00 0.00 O ATOM 0 H GLU C 10 -0.244 6.953 -9.427 1.00 0.00 H new ATOM 0 HA GLU C 10 2.621 7.581 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.684 8.846 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU C 10 2.401 9.179 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU C 10 2.111 10.024 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU C 10 0.397 9.667 -10.279 1.00 0.00 H new ATOM 1809 N SER C 11 3.141 6.679 -7.398 1.00 0.00 N ATOM 1810 CA SER C 11 3.661 5.657 -6.497 1.00 0.00 C ATOM 1811 C SER C 11 4.175 6.222 -5.172 1.00 0.00 C ATOM 1812 O SER C 11 4.267 7.432 -4.979 1.00 0.00 O ATOM 1813 CB SER C 11 4.796 4.900 -7.202 1.00 0.00 C ATOM 1814 OG SER C 11 4.310 4.235 -8.345 1.00 0.00 O ATOM 0 H SER C 11 3.655 7.559 -7.374 1.00 0.00 H new ATOM 0 HA SER C 11 2.833 4.991 -6.254 1.00 0.00 H new ATOM 0 HB2 SER C 11 5.584 5.597 -7.487 1.00 0.00 H new ATOM 0 HB3 SER C 11 5.241 4.179 -6.516 1.00 0.00 H new ATOM 0 HG SER C 11 5.045 3.759 -8.784 1.00 0.00 H new ATOM 1820 N ILE C 12 4.508 5.305 -4.260 1.00 0.00 N ATOM 1821 CA ILE C 12 5.001 5.558 -2.914 1.00 0.00 C ATOM 1822 C ILE C 12 6.177 4.607 -2.711 1.00 0.00 C ATOM 1823 O ILE C 12 6.298 3.625 -3.444 1.00 0.00 O ATOM 1824 CB ILE C 12 3.880 5.278 -1.898 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.642 6.153 -2.147 1.00 0.00 C ATOM 1826 CG2 ILE C 12 4.360 5.461 -0.456 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.898 7.643 -1.915 1.00 0.00 C ATOM 0 H ILE C 12 4.434 4.307 -4.459 1.00 0.00 H new ATOM 0 HA ILE C 12 5.314 6.593 -2.775 1.00 0.00 H new ATOM 0 HB ILE C 12 3.597 4.235 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.301 6.005 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.835 5.824 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE C 12 3.539 5.254 0.230 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.182 4.773 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE C 12 4.702 6.486 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE C 12 1.983 8.204 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.210 7.802 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.683 7.986 -2.588 1.00 0.00 H new ATOM 1839 N ASN C 13 7.042 4.869 -1.733 1.00 0.00 N ATOM 1840 CA ASN C 13 8.235 4.061 -1.544 1.00 0.00 C ATOM 1841 C ASN C 13 8.473 3.764 -0.069 1.00 0.00 C ATOM 1842 O ASN C 13 8.164 4.578 0.801 1.00 0.00 O ATOM 1843 CB ASN C 13 9.423 4.806 -2.150 1.00 0.00 C ATOM 1844 CG ASN C 13 9.358 4.812 -3.666 1.00 0.00 C ATOM 1845 OD1 ASN C 13 8.923 5.787 -4.273 1.00 0.00 O ATOM 1846 ND2 ASN C 13 9.785 3.717 -4.285 1.00 0.00 N ATOM 0 H ASN C 13 6.936 5.632 -1.064 1.00 0.00 H new ATOM 0 HA ASN C 13 8.107 3.101 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.438 5.832 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN C 13 10.352 4.337 -1.826 1.00 0.00 H new ATOM 0 HD21 ASN C 13 9.759 3.664 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN C 13 10.139 2.929 -3.742 1.00 0.00 H new ATOM 1853 N ILE C 14 9.033 2.582 0.194 1.00 0.00 N ATOM 1854 CA ILE C 14 9.309 2.104 1.543 1.00 0.00 C ATOM 1855 C ILE C 14 10.631 1.336 1.554 1.00 0.00 C ATOM 1856 O ILE C 14 10.965 0.645 0.589 1.00 0.00 O ATOM 1857 CB ILE C 14 8.161 1.203 2.021 1.00 0.00 C ATOM 1858 CG1 ILE C 14 6.832 1.969 1.961 1.00 0.00 C ATOM 1859 CG2 ILE C 14 8.436 0.717 3.449 1.00 0.00 C ATOM 1860 CD1 ILE C 14 5.651 1.142 2.467 1.00 0.00 C ATOM 0 H ILE C 14 9.310 1.924 -0.535 1.00 0.00 H new ATOM 0 HA ILE C 14 9.390 2.954 2.221 1.00 0.00 H new ATOM 0 HB ILE C 14 8.092 0.335 1.365 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.915 2.879 2.556 1.00 0.00 H new ATOM 0 HG13 ILE C 14 6.641 2.277 0.933 1.00 0.00 H new ATOM 0 HG21 ILE C 14 7.617 0.079 3.780 1.00 0.00 H new ATOM 0 HG22 ILE C 14 9.367 0.151 3.468 1.00 0.00 H new ATOM 0 HG23 ILE C 14 8.519 1.575 4.116 1.00 0.00 H new ATOM 0 HD11 ILE C 14 4.738 1.734 2.402 1.00 0.00 H new ATOM 0 HD12 ILE C 14 5.547 0.245 1.856 1.00 0.00 H new ATOM 0 HD13 ILE C 14 5.825 0.856 3.505 1.00 0.00 H new ATOM 1872 N GLY C 15 11.381 1.460 2.654 1.00 0.00 N ATOM 1873 CA GLY C 15 12.653 0.777 2.805 1.00 0.00 C ATOM 1874 C GLY C 15 13.615 1.181 1.690 1.00 0.00 C ATOM 1875 O GLY C 15 13.725 2.359 1.353 1.00 0.00 O ATOM 0 H GLY C 15 11.119 2.034 3.455 1.00 0.00 H new ATOM 0 HA2 GLY C 15 13.089 1.019 3.774 1.00 0.00 H new ATOM 0 HA3 GLY C 15 12.497 -0.302 2.786 1.00 0.00 H new ATOM 1879 N ASP C 16 14.305 0.192 1.126 1.00 0.00 N ATOM 1880 CA ASP C 16 15.241 0.384 0.028 1.00 0.00 C ATOM 1881 C ASP C 16 14.950 -0.622 -1.092 1.00 0.00 C ATOM 1882 O ASP C 16 15.705 -0.714 -2.057 1.00 0.00 O ATOM 1883 CB ASP C 16 16.667 0.254 0.570 1.00 0.00 C ATOM 1884 CG ASP C 16 17.717 0.573 -0.490 1.00 0.00 C ATOM 1885 OD1 ASP C 16 17.635 1.680 -1.069 1.00 0.00 O ATOM 1886 OD2 ASP C 16 18.589 -0.293 -0.714 1.00 0.00 O ATOM 0 H ASP C 16 14.226 -0.780 1.426 1.00 0.00 H new ATOM 0 HA ASP C 16 15.129 1.379 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP C 16 16.794 0.926 1.419 1.00 0.00 H new ATOM 0 HB3 ASP C 16 16.822 -0.760 0.940 1.00 0.00 H new ATOM 1891 N ASP C 17 13.854 -1.380 -0.964 1.00 0.00 N ATOM 1892 CA ASP C 17 13.531 -2.449 -1.896 1.00 0.00 C ATOM 1893 C ASP C 17 12.022 -2.636 -2.089 1.00 0.00 C ATOM 1894 O ASP C 17 11.610 -3.634 -2.681 1.00 0.00 O ATOM 1895 CB ASP C 17 14.179 -3.745 -1.408 1.00 0.00 C ATOM 1896 CG ASP C 17 13.634 -4.188 -0.052 1.00 0.00 C ATOM 1897 OD1 ASP C 17 14.018 -3.563 0.963 1.00 0.00 O ATOM 1898 OD2 ASP C 17 12.835 -5.152 -0.039 1.00 0.00 O ATOM 0 H ASP C 17 13.174 -1.265 -0.213 1.00 0.00 H new ATOM 0 HA ASP C 17 13.928 -2.174 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP C 17 14.008 -4.533 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP C 17 15.258 -3.605 -1.336 1.00 0.00 H new ATOM 1903 N ILE C 18 11.192 -1.699 -1.607 1.00 0.00 N ATOM 1904 CA ILE C 18 9.751 -1.781 -1.800 1.00 0.00 C ATOM 1905 C ILE C 18 9.219 -0.504 -2.443 1.00 0.00 C ATOM 1906 O ILE C 18 9.691 0.599 -2.167 1.00 0.00 O ATOM 1907 CB ILE C 18 9.032 -2.043 -0.470 1.00 0.00 C ATOM 1908 CG1 ILE C 18 9.535 -3.322 0.209 1.00 0.00 C ATOM 1909 CG2 ILE C 18 7.523 -2.163 -0.709 1.00 0.00 C ATOM 1910 CD1 ILE C 18 10.571 -2.976 1.277 1.00 0.00 C ATOM 0 H ILE C 18 11.501 -0.880 -1.083 1.00 0.00 H new ATOM 0 HA ILE C 18 9.551 -2.618 -2.469 1.00 0.00 H new ATOM 0 HB ILE C 18 9.245 -1.201 0.188 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.699 -3.856 0.661 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.975 -3.988 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE C 18 7.018 -2.349 0.239 1.00 0.00 H new ATOM 0 HG22 ILE C 18 7.149 -1.236 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE C 18 7.327 -2.989 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.922 -3.891 1.753 1.00 0.00 H new ATOM 0 HD12 ILE C 18 11.413 -2.462 0.814 1.00 0.00 H new ATOM 0 HD13 ILE C 18 10.118 -2.327 2.027 1.00 0.00 H new ATOM 1922 N THR C 19 8.217 -0.669 -3.311 1.00 0.00 N ATOM 1923 CA THR C 19 7.519 0.423 -3.970 1.00 0.00 C ATOM 1924 C THR C 19 6.048 0.042 -4.071 1.00 0.00 C ATOM 1925 O THR C 19 5.726 -1.135 -4.226 1.00 0.00 O ATOM 1926 CB THR C 19 8.115 0.651 -5.363 1.00 0.00 C ATOM 1927 OG1 THR C 19 9.494 0.927 -5.265 1.00 0.00 O ATOM 1928 CG2 THR C 19 7.442 1.819 -6.086 1.00 0.00 C ATOM 0 H THR C 19 7.865 -1.589 -3.577 1.00 0.00 H new ATOM 0 HA THR C 19 7.624 1.348 -3.403 1.00 0.00 H new ATOM 0 HB THR C 19 7.947 -0.263 -5.933 1.00 0.00 H new ATOM 0 HG1 THR C 19 9.864 1.069 -6.161 1.00 0.00 H new ATOM 0 HG21 THR C 19 7.894 1.947 -7.070 1.00 0.00 H new ATOM 0 HG22 THR C 19 6.378 1.612 -6.200 1.00 0.00 H new ATOM 0 HG23 THR C 19 7.574 2.731 -5.505 1.00 0.00 H new ATOM 1936 N ILE C 20 5.155 1.030 -3.984 1.00 0.00 N ATOM 1937 CA ILE C 20 3.714 0.819 -4.007 1.00 0.00 C ATOM 1938 C ILE C 20 3.111 1.762 -5.045 1.00 0.00 C ATOM 1939 O ILE C 20 3.658 2.836 -5.277 1.00 0.00 O ATOM 1940 CB ILE C 20 3.123 1.103 -2.617 1.00 0.00 C ATOM 1941 CG1 ILE C 20 3.930 0.464 -1.476 1.00 0.00 C ATOM 1942 CG2 ILE C 20 1.673 0.613 -2.557 1.00 0.00 C ATOM 1943 CD1 ILE C 20 3.920 -1.062 -1.498 1.00 0.00 C ATOM 0 H ILE C 20 5.420 2.011 -3.895 1.00 0.00 H new ATOM 0 HA ILE C 20 3.485 -0.214 -4.269 1.00 0.00 H new ATOM 0 HB ILE C 20 3.166 2.183 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE C 20 4.961 0.813 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE C 20 3.529 0.808 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.260 0.817 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE C 20 1.082 1.132 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE C 20 1.643 -0.460 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE C 20 4.510 -1.442 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE C 20 2.894 -1.420 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE C 20 4.349 -1.415 -2.436 1.00 0.00 H new ATOM 1955 N THR C 21 1.997 1.375 -5.674 1.00 0.00 N ATOM 1956 CA THR C 21 1.428 2.159 -6.763 1.00 0.00 C ATOM 1957 C THR C 21 -0.096 2.188 -6.681 1.00 0.00 C ATOM 1958 O THR C 21 -0.716 1.249 -6.180 1.00 0.00 O ATOM 1959 CB THR C 21 1.881 1.547 -8.094 1.00 0.00 C ATOM 1960 OG1 THR C 21 3.284 1.428 -8.111 1.00 0.00 O ATOM 1961 CG2 THR C 21 1.477 2.398 -9.294 1.00 0.00 C ATOM 0 H THR C 21 1.477 0.528 -5.446 1.00 0.00 H new ATOM 0 HA THR C 21 1.778 3.188 -6.688 1.00 0.00 H new ATOM 0 HB THR C 21 1.395 0.574 -8.171 1.00 0.00 H new ATOM 0 HG1 THR C 21 3.687 2.317 -8.204 1.00 0.00 H new ATOM 0 HG21 THR C 21 1.822 1.920 -10.211 1.00 0.00 H new ATOM 0 HG22 THR C 21 0.392 2.496 -9.322 1.00 0.00 H new ATOM 0 HG23 THR C 21 1.929 3.386 -9.208 1.00 0.00 H new ATOM 1969 N ILE C 22 -0.692 3.274 -7.176 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.136 3.460 -7.233 1.00 0.00 C ATOM 1971 C ILE C 22 -2.561 3.365 -8.693 1.00 0.00 C ATOM 1972 O ILE C 22 -2.528 4.339 -9.443 1.00 0.00 O ATOM 1973 CB ILE C 22 -2.539 4.781 -6.555 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -4.009 5.144 -6.783 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -1.669 5.951 -7.005 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -4.942 4.068 -6.229 1.00 0.00 C ATOM 0 H ILE C 22 -0.170 4.064 -7.556 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.659 2.683 -6.677 1.00 0.00 H new ATOM 0 HB ILE C 22 -2.385 4.606 -5.490 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -4.228 6.099 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.192 5.272 -7.850 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -1.992 6.861 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.628 5.747 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.765 6.082 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -5.978 4.357 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -4.739 3.119 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -4.775 3.959 -5.157 1.00 0.00 H new ATOM 1988 N LEU C 23 -2.963 2.158 -9.087 1.00 0.00 N ATOM 1989 CA LEU C 23 -3.261 1.828 -10.471 1.00 0.00 C ATOM 1990 C LEU C 23 -4.560 2.479 -10.943 1.00 0.00 C ATOM 1991 O LEU C 23 -4.740 2.686 -12.143 1.00 0.00 O ATOM 1992 CB LEU C 23 -3.377 0.302 -10.589 1.00 0.00 C ATOM 1993 CG LEU C 23 -2.213 -0.414 -9.895 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -2.424 -1.916 -10.009 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -0.868 -0.051 -10.517 1.00 0.00 C ATOM 0 H LEU C 23 -3.091 1.377 -8.444 1.00 0.00 H new ATOM 0 HA LEU C 23 -2.458 2.208 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -4.319 -0.026 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -3.401 0.020 -11.642 1.00 0.00 H new ATOM 0 HG LEU C 23 -2.195 -0.099 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.602 -2.437 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.364 -2.189 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -2.458 -2.200 -11.061 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -0.071 -0.580 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -0.865 -0.336 -11.569 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -0.706 1.024 -10.432 1.00 0.00 H new ATOM 2007 N GLY C 24 -5.462 2.801 -10.011 1.00 0.00 N ATOM 2008 CA GLY C 24 -6.710 3.467 -10.345 1.00 0.00 C ATOM 2009 C GLY C 24 -7.738 3.373 -9.228 1.00 0.00 C ATOM 2010 O GLY C 24 -7.447 2.898 -8.134 1.00 0.00 O ATOM 0 H GLY C 24 -5.344 2.607 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -6.511 4.516 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -7.122 3.025 -11.252 1.00 0.00 H new ATOM 2014 N VAL C 25 -8.958 3.829 -9.522 1.00 0.00 N ATOM 2015 CA VAL C 25 -10.062 3.842 -8.576 1.00 0.00 C ATOM 2016 C VAL C 25 -11.314 3.294 -9.252 1.00 0.00 C ATOM 2017 O VAL C 25 -11.383 3.217 -10.478 1.00 0.00 O ATOM 2018 CB VAL C 25 -10.303 5.265 -8.054 1.00 0.00 C ATOM 2019 CG1 VAL C 25 -9.053 5.807 -7.363 1.00 0.00 C ATOM 2020 CG2 VAL C 25 -10.681 6.221 -9.189 1.00 0.00 C ATOM 0 H VAL C 25 -9.204 4.204 -10.438 1.00 0.00 H new ATOM 0 HA VAL C 25 -9.814 3.210 -7.723 1.00 0.00 H new ATOM 0 HB VAL C 25 -11.127 5.206 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -9.246 6.817 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -8.794 5.163 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -8.226 5.828 -8.072 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -10.845 7.220 -8.784 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -9.874 6.254 -9.921 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -11.594 5.871 -9.671 1.00 0.00 H new ATOM 2030 N SER C 26 -12.305 2.914 -8.443 1.00 0.00 N ATOM 2031 CA SER C 26 -13.556 2.332 -8.914 1.00 0.00 C ATOM 2032 C SER C 26 -14.658 2.683 -7.921 1.00 0.00 C ATOM 2033 O SER C 26 -15.300 1.804 -7.352 1.00 0.00 O ATOM 2034 CB SER C 26 -13.399 0.816 -9.054 1.00 0.00 C ATOM 2035 OG SER C 26 -12.603 0.505 -10.174 1.00 0.00 O ATOM 0 H SER C 26 -12.257 3.005 -7.428 1.00 0.00 H new ATOM 0 HA SER C 26 -13.820 2.732 -9.893 1.00 0.00 H new ATOM 0 HB2 SER C 26 -12.944 0.406 -8.152 1.00 0.00 H new ATOM 0 HB3 SER C 26 -14.379 0.351 -9.156 1.00 0.00 H new ATOM 0 HG SER C 26 -12.211 1.327 -10.535 1.00 0.00 H new ATOM 2041 N GLY C 27 -14.878 3.983 -7.710 1.00 0.00 N ATOM 2042 CA GLY C 27 -15.853 4.445 -6.736 1.00 0.00 C ATOM 2043 C GLY C 27 -15.296 4.240 -5.336 1.00 0.00 C ATOM 2044 O GLY C 27 -14.164 4.629 -5.056 1.00 0.00 O ATOM 0 H GLY C 27 -14.390 4.730 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.078 5.499 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -16.788 3.898 -6.852 1.00 0.00 H new ATOM 2048 N GLN C 28 -16.086 3.624 -4.454 1.00 0.00 N ATOM 2049 CA GLN C 28 -15.640 3.293 -3.111 1.00 0.00 C ATOM 2050 C GLN C 28 -14.549 2.216 -3.149 1.00 0.00 C ATOM 2051 O GLN C 28 -13.902 1.966 -2.134 1.00 0.00 O ATOM 2052 CB GLN C 28 -16.848 2.834 -2.290 1.00 0.00 C ATOM 2053 CG GLN C 28 -16.507 2.732 -0.798 1.00 0.00 C ATOM 2054 CD GLN C 28 -17.724 2.390 0.055 1.00 0.00 C ATOM 2055 OE1 GLN C 28 -18.861 2.407 -0.410 1.00 0.00 O ATOM 2056 NE2 GLN C 28 -17.489 2.066 1.325 1.00 0.00 N ATOM 0 H GLN C 28 -17.046 3.345 -4.655 1.00 0.00 H new ATOM 0 HA GLN C 28 -15.203 4.174 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -17.671 3.535 -2.429 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -17.189 1.865 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.741 1.970 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -16.084 3.678 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -16.533 2.061 1.682 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -18.265 1.823 1.941 1.00 0.00 H new ATOM 2065 N GLN C 29 -14.332 1.580 -4.309 1.00 0.00 N ATOM 2066 CA GLN C 29 -13.280 0.586 -4.461 1.00 0.00 C ATOM 2067 C GLN C 29 -12.018 1.237 -5.018 1.00 0.00 C ATOM 2068 O GLN C 29 -12.060 2.339 -5.563 1.00 0.00 O ATOM 2069 CB GLN C 29 -13.708 -0.531 -5.416 1.00 0.00 C ATOM 2070 CG GLN C 29 -14.985 -1.249 -4.985 1.00 0.00 C ATOM 2071 CD GLN C 29 -15.238 -2.440 -5.898 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -15.887 -2.321 -6.933 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -14.721 -3.606 -5.518 1.00 0.00 N ATOM 0 H GLN C 29 -14.878 1.743 -5.155 1.00 0.00 H new ATOM 0 HA GLN C 29 -13.085 0.163 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -13.856 -0.110 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -12.901 -1.259 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -14.894 -1.584 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -15.831 -0.562 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -14.187 -3.669 -4.651 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.859 -4.437 -6.093 1.00 0.00 H new ATOM 2082 N VAL C 30 -10.890 0.536 -4.876 1.00 0.00 N ATOM 2083 CA VAL C 30 -9.576 1.035 -5.263 1.00 0.00 C ATOM 2084 C VAL C 30 -8.725 -0.106 -5.816 1.00 0.00 C ATOM 2085 O VAL C 30 -8.871 -1.252 -5.391 1.00 0.00 O ATOM 2086 CB VAL C 30 -8.912 1.665 -4.032 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -7.494 2.135 -4.340 1.00 0.00 C ATOM 2088 CG2 VAL C 30 -9.706 2.879 -3.541 1.00 0.00 C ATOM 0 H VAL C 30 -10.868 -0.405 -4.484 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.674 1.787 -6.045 1.00 0.00 H new ATOM 0 HB VAL C 30 -8.888 0.891 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -7.054 2.576 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -6.891 1.286 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -7.522 2.880 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.214 3.307 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -9.754 3.627 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.716 2.569 -3.273 1.00 0.00 H new ATOM 2098 N ARG C 31 -7.835 0.213 -6.760 1.00 0.00 N ATOM 2099 CA ARG C 31 -6.926 -0.740 -7.389 1.00 0.00 C ATOM 2100 C ARG C 31 -5.497 -0.292 -7.121 1.00 0.00 C ATOM 2101 O ARG C 31 -5.079 0.768 -7.583 1.00 0.00 O ATOM 2102 CB ARG C 31 -7.206 -0.799 -8.896 1.00 0.00 C ATOM 2103 CG ARG C 31 -7.773 -2.153 -9.339 1.00 0.00 C ATOM 2104 CD ARG C 31 -6.707 -3.255 -9.359 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.295 -4.538 -9.762 1.00 0.00 N ATOM 2106 CZ ARG C 31 -7.614 -4.868 -11.018 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -7.357 -4.058 -12.037 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.201 -6.033 -11.273 1.00 0.00 N ATOM 0 H ARG C 31 -7.727 1.164 -7.114 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.073 -1.738 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.910 -0.010 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.283 -0.600 -9.441 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.580 -2.444 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -8.208 -2.054 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.908 -2.983 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -6.256 -3.350 -8.371 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.473 -5.227 -9.032 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.905 -3.158 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -7.611 -4.335 -12.985 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.409 -6.677 -10.510 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -8.444 -6.283 -12.232 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.755 -1.105 -6.370 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.399 -0.786 -5.938 1.00 0.00 C ATOM 2124 C ILE C 32 -2.508 -2.015 -6.054 1.00 0.00 C ATOM 2125 O ILE C 32 -2.993 -3.145 -6.055 1.00 0.00 O ATOM 2126 CB ILE C 32 -3.406 -0.284 -4.483 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -4.317 -1.165 -3.617 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -3.848 1.180 -4.437 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -4.206 -0.791 -2.138 1.00 0.00 C ATOM 0 H ILE C 32 -5.084 -2.013 -6.042 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.007 0.001 -6.582 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.396 -0.349 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.351 -1.057 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.048 -2.213 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -3.850 1.527 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.157 1.787 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -4.852 1.270 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -4.863 -1.432 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.177 -0.924 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.499 0.250 -2.003 1.00 0.00 H new ATOM 2141 N GLY C 33 -1.198 -1.790 -6.156 1.00 0.00 N ATOM 2142 CA GLY C 33 -0.245 -2.875 -6.315 1.00 0.00 C ATOM 2143 C GLY C 33 1.025 -2.634 -5.515 1.00 0.00 C ATOM 2144 O GLY C 33 1.262 -1.531 -5.024 1.00 0.00 O ATOM 0 H GLY C 33 -0.777 -0.861 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -0.703 -3.811 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY C 33 0.006 -2.987 -7.370 1.00 0.00 H new ATOM 2148 N ILE C 34 1.844 -3.681 -5.393 1.00 0.00 N ATOM 2149 CA ILE C 34 3.039 -3.662 -4.570 1.00 0.00 C ATOM 2150 C ILE C 34 4.200 -4.260 -5.353 1.00 0.00 C ATOM 2151 O ILE C 34 4.025 -5.207 -6.123 1.00 0.00 O ATOM 2152 CB ILE C 34 2.794 -4.473 -3.284 1.00 0.00 C ATOM 2153 CG1 ILE C 34 1.689 -3.865 -2.413 1.00 0.00 C ATOM 2154 CG2 ILE C 34 4.075 -4.551 -2.449 1.00 0.00 C ATOM 2155 CD1 ILE C 34 0.319 -4.449 -2.742 1.00 0.00 C ATOM 0 H ILE C 34 1.689 -4.569 -5.869 1.00 0.00 H new ATOM 0 HA ILE C 34 3.282 -2.635 -4.299 1.00 0.00 H new ATOM 0 HB ILE C 34 2.481 -5.468 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.916 -4.043 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.667 -2.785 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE C 34 3.885 -5.127 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE C 34 4.859 -5.036 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.394 -3.545 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.435 -3.991 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE C 34 0.079 -4.248 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.332 -5.526 -2.573 1.00 0.00 H new ATOM 2167 N ASN C 35 5.390 -3.699 -5.144 1.00 0.00 N ATOM 2168 CA ASN C 35 6.599 -4.090 -5.840 1.00 0.00 C ATOM 2169 C ASN C 35 7.717 -4.296 -4.826 1.00 0.00 C ATOM 2170 O ASN C 35 8.626 -3.483 -4.680 1.00 0.00 O ATOM 2171 CB ASN C 35 6.945 -3.030 -6.885 1.00 0.00 C ATOM 2172 CG ASN C 35 8.065 -3.473 -7.814 1.00 0.00 C ATOM 2173 OD1 ASN C 35 8.536 -4.606 -7.751 1.00 0.00 O ATOM 2174 ND2 ASN C 35 8.497 -2.573 -8.689 1.00 0.00 N ATOM 0 H ASN C 35 5.536 -2.946 -4.472 1.00 0.00 H new ATOM 0 HA ASN C 35 6.456 -5.034 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN C 35 6.057 -2.802 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN C 35 7.238 -2.109 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN C 35 9.245 -2.812 -9.340 1.00 0.00 H new ATOM 0 HD22 ASN C 35 8.081 -1.642 -8.711 1.00 0.00 H new ATOM 2181 N ALA C 36 7.609 -5.425 -4.132 1.00 0.00 N ATOM 2182 CA ALA C 36 8.555 -5.910 -3.144 1.00 0.00 C ATOM 2183 C ALA C 36 9.075 -7.256 -3.638 1.00 0.00 C ATOM 2184 O ALA C 36 8.433 -7.893 -4.474 1.00 0.00 O ATOM 2185 CB ALA C 36 7.836 -6.070 -1.803 1.00 0.00 C ATOM 0 H ALA C 36 6.817 -6.056 -4.253 1.00 0.00 H new ATOM 0 HA ALA C 36 9.385 -5.216 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA C 36 8.539 -6.434 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA C 36 7.436 -5.106 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA C 36 7.019 -6.784 -1.911 1.00 0.00 H new ATOM 2191 N PRO C 37 10.230 -7.708 -3.136 1.00 0.00 N ATOM 2192 CA PRO C 37 10.796 -8.973 -3.543 1.00 0.00 C ATOM 2193 C PRO C 37 9.971 -10.098 -2.937 1.00 0.00 C ATOM 2194 O PRO C 37 9.360 -9.927 -1.882 1.00 0.00 O ATOM 2195 CB PRO C 37 12.224 -8.962 -2.995 1.00 0.00 C ATOM 2196 CG PRO C 37 12.112 -8.077 -1.759 1.00 0.00 C ATOM 2197 CD PRO C 37 11.065 -7.048 -2.153 1.00 0.00 C ATOM 0 HA PRO C 37 10.797 -9.122 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO C 37 12.567 -9.965 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO C 37 12.931 -8.556 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO C 37 11.804 -8.648 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.065 -7.607 -1.514 1.00 0.00 H new ATOM 0 HD2 PRO C 37 10.480 -6.732 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.529 -6.154 -2.568 1.00 0.00 H new ATOM 2205 N LYS C 38 9.945 -11.257 -3.594 1.00 0.00 N ATOM 2206 CA LYS C 38 9.218 -12.407 -3.072 1.00 0.00 C ATOM 2207 C LYS C 38 9.958 -12.995 -1.873 1.00 0.00 C ATOM 2208 O LYS C 38 9.499 -13.965 -1.273 1.00 0.00 O ATOM 2209 CB LYS C 38 8.977 -13.419 -4.191 1.00 0.00 C ATOM 2210 CG LYS C 38 8.120 -12.708 -5.242 1.00 0.00 C ATOM 2211 CD LYS C 38 7.625 -13.642 -6.343 1.00 0.00 C ATOM 2212 CE LYS C 38 6.739 -14.753 -5.782 1.00 0.00 C ATOM 2213 NZ LYS C 38 6.187 -15.582 -6.867 1.00 0.00 N ATOM 0 H LYS C 38 10.417 -11.421 -4.483 1.00 0.00 H new ATOM 0 HA LYS C 38 8.237 -12.100 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS C 38 9.921 -13.754 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS C 38 8.469 -14.305 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS C 38 7.262 -12.248 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS C 38 8.701 -11.902 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS C 38 7.066 -13.069 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS C 38 8.479 -14.082 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS C 38 7.318 -15.377 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS C 38 5.926 -14.317 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 5.588 -16.330 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 5.617 -14.988 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 6.966 -16.014 -7.404 1.00 0.00 H new ATOM 2227 N ASP C 39 11.100 -12.395 -1.527 1.00 0.00 N ATOM 2228 CA ASP C 39 11.828 -12.713 -0.312 1.00 0.00 C ATOM 2229 C ASP C 39 11.074 -12.186 0.913 1.00 0.00 C ATOM 2230 O ASP C 39 11.391 -12.574 2.039 1.00 0.00 O ATOM 2231 CB ASP C 39 13.226 -12.099 -0.381 1.00 0.00 C ATOM 2232 CG ASP C 39 14.049 -12.719 -1.507 1.00 0.00 C ATOM 2233 OD1 ASP C 39 14.587 -13.827 -1.289 1.00 0.00 O ATOM 2234 OD2 ASP C 39 14.133 -12.082 -2.582 1.00 0.00 O ATOM 0 H ASP C 39 11.543 -11.670 -2.092 1.00 0.00 H new ATOM 0 HA ASP C 39 11.917 -13.795 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP C 39 13.146 -11.023 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP C 39 13.738 -12.247 0.570 1.00 0.00 H new ATOM 2239 N VAL C 40 10.081 -11.311 0.708 1.00 0.00 N ATOM 2240 CA VAL C 40 9.198 -10.880 1.783 1.00 0.00 C ATOM 2241 C VAL C 40 7.737 -11.096 1.396 1.00 0.00 C ATOM 2242 O VAL C 40 7.343 -10.947 0.236 1.00 0.00 O ATOM 2243 CB VAL C 40 9.471 -9.424 2.170 1.00 0.00 C ATOM 2244 CG1 VAL C 40 10.948 -9.226 2.522 1.00 0.00 C ATOM 2245 CG2 VAL C 40 9.082 -8.446 1.062 1.00 0.00 C ATOM 0 H VAL C 40 9.874 -10.890 -0.198 1.00 0.00 H new ATOM 0 HA VAL C 40 9.403 -11.491 2.662 1.00 0.00 H new ATOM 0 HB VAL C 40 8.851 -9.212 3.041 1.00 0.00 H new ATOM 0 HG11 VAL C 40 11.121 -8.185 2.794 1.00 0.00 H new ATOM 0 HG12 VAL C 40 11.211 -9.869 3.362 1.00 0.00 H new ATOM 0 HG13 VAL C 40 11.565 -9.483 1.661 1.00 0.00 H new ATOM 0 HG21 VAL C 40 9.295 -7.427 1.385 1.00 0.00 H new ATOM 0 HG22 VAL C 40 9.655 -8.669 0.162 1.00 0.00 H new ATOM 0 HG23 VAL C 40 8.018 -8.544 0.847 1.00 0.00 H new ATOM 2255 N ALA C 41 6.932 -11.459 2.392 1.00 0.00 N ATOM 2256 CA ALA C 41 5.529 -11.780 2.208 1.00 0.00 C ATOM 2257 C ALA C 41 4.719 -10.524 1.898 1.00 0.00 C ATOM 2258 O ALA C 41 5.012 -9.445 2.412 1.00 0.00 O ATOM 2259 CB ALA C 41 5.006 -12.443 3.480 1.00 0.00 C ATOM 0 H ALA C 41 7.245 -11.538 3.360 1.00 0.00 H new ATOM 0 HA ALA C 41 5.424 -12.461 1.363 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.952 -12.689 3.355 1.00 0.00 H new ATOM 0 HB2 ALA C 41 5.571 -13.355 3.674 1.00 0.00 H new ATOM 0 HB3 ALA C 41 5.121 -11.759 4.321 1.00 0.00 H new ATOM 2265 N VAL C 42 3.698 -10.677 1.054 1.00 0.00 N ATOM 2266 CA VAL C 42 2.787 -9.602 0.680 1.00 0.00 C ATOM 2267 C VAL C 42 1.402 -10.207 0.479 1.00 0.00 C ATOM 2268 O VAL C 42 1.231 -11.064 -0.390 1.00 0.00 O ATOM 2269 CB VAL C 42 3.268 -8.932 -0.611 1.00 0.00 C ATOM 2270 CG1 VAL C 42 2.323 -7.809 -1.018 1.00 0.00 C ATOM 2271 CG2 VAL C 42 4.663 -8.331 -0.450 1.00 0.00 C ATOM 0 H VAL C 42 3.480 -11.567 0.606 1.00 0.00 H new ATOM 0 HA VAL C 42 2.754 -8.843 1.462 1.00 0.00 H new ATOM 0 HB VAL C 42 3.292 -9.710 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL C 42 2.682 -7.346 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL C 42 1.325 -8.215 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL C 42 2.284 -7.061 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL C 42 4.969 -7.865 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL C 42 4.647 -7.580 0.340 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.370 -9.118 -0.188 1.00 0.00 H new ATOM 2281 N HIS C 43 0.425 -9.759 1.281 1.00 0.00 N ATOM 2282 CA HIS C 43 -0.934 -10.297 1.273 1.00 0.00 C ATOM 2283 C HIS C 43 -1.944 -9.238 1.706 1.00 0.00 C ATOM 2284 O HIS C 43 -1.569 -8.161 2.171 1.00 0.00 O ATOM 2285 CB HIS C 43 -1.049 -11.471 2.257 1.00 0.00 C ATOM 2286 CG HIS C 43 -0.104 -12.618 2.021 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -0.445 -13.827 1.414 1.00 0.00 N ATOM 2288 CD2 HIS C 43 1.215 -12.646 2.372 1.00 0.00 C ATOM 2289 CE1 HIS C 43 0.686 -14.555 1.410 1.00 0.00 C ATOM 2290 NE2 HIS C 43 1.694 -13.873 1.978 1.00 0.00 N ATOM 0 H HIS C 43 0.562 -9.007 1.957 1.00 0.00 H new ATOM 0 HA HIS C 43 -1.146 -10.623 0.255 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -0.886 -11.092 3.266 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -2.070 -11.852 2.221 1.00 0.00 H new ATOM 0 HD2 HIS C 43 1.771 -11.861 2.862 1.00 0.00 H new ATOM 0 HE1 HIS C 43 0.772 -15.553 1.005 1.00 0.00 H new ATOM 0 HE2 HIS C 43 2.650 -14.208 2.097 1.00 0.00 H new ATOM 2298 N ARG C 44 -3.236 -9.550 1.557 1.00 0.00 N ATOM 2299 CA ARG C 44 -4.310 -8.703 2.062 1.00 0.00 C ATOM 2300 C ARG C 44 -4.352 -8.792 3.587 1.00 0.00 C ATOM 2301 O ARG C 44 -3.809 -9.732 4.169 1.00 0.00 O ATOM 2302 CB ARG C 44 -5.643 -9.147 1.449 1.00 0.00 C ATOM 2303 CG ARG C 44 -6.094 -10.486 2.026 1.00 0.00 C ATOM 2304 CD ARG C 44 -7.342 -11.014 1.317 1.00 0.00 C ATOM 2305 NE ARG C 44 -7.001 -11.567 0.003 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.632 -12.603 -0.559 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -8.690 -13.157 0.023 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -7.201 -13.090 -1.714 1.00 0.00 N ATOM 0 H ARG C 44 -3.560 -10.394 1.085 1.00 0.00 H new ATOM 0 HA ARG C 44 -4.131 -7.665 1.781 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -6.404 -8.391 1.639 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -5.540 -9.230 0.367 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -5.287 -11.213 1.933 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -6.300 -10.373 3.090 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -7.815 -11.783 1.928 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -8.067 -10.209 1.200 1.00 0.00 H new ATOM 0 HE ARG C 44 -6.235 -11.135 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -9.032 -12.792 0.912 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -9.160 -13.947 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -6.390 -12.674 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.681 -13.880 -2.145 1.00 0.00 H new ATOM 2322 N GLU C 45 -4.990 -7.826 4.246 1.00 0.00 N ATOM 2323 CA GLU C 45 -5.070 -7.829 5.708 1.00 0.00 C ATOM 2324 C GLU C 45 -6.002 -8.933 6.210 1.00 0.00 C ATOM 2325 O GLU C 45 -5.870 -9.378 7.347 1.00 0.00 O ATOM 2326 CB GLU C 45 -5.506 -6.447 6.209 1.00 0.00 C ATOM 2327 CG GLU C 45 -6.969 -6.116 5.895 1.00 0.00 C ATOM 2328 CD GLU C 45 -7.945 -6.725 6.905 1.00 0.00 C ATOM 2329 OE1 GLU C 45 -7.673 -6.617 8.121 1.00 0.00 O ATOM 2330 OE2 GLU C 45 -8.961 -7.298 6.451 1.00 0.00 O ATOM 0 H GLU C 45 -5.456 -7.037 3.797 1.00 0.00 H new ATOM 0 HA GLU C 45 -4.081 -8.043 6.113 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -5.354 -6.395 7.287 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -4.866 -5.688 5.760 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -7.097 -5.034 5.880 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.213 -6.479 4.897 1.00 0.00 H new ATOM 2337 N GLU C 46 -6.938 -9.370 5.366 1.00 0.00 N ATOM 2338 CA GLU C 46 -7.923 -10.384 5.716 1.00 0.00 C ATOM 2339 C GLU C 46 -7.298 -11.787 5.791 1.00 0.00 C ATOM 2340 O GLU C 46 -7.937 -12.724 6.266 1.00 0.00 O ATOM 2341 CB GLU C 46 -9.042 -10.334 4.672 1.00 0.00 C ATOM 2342 CG GLU C 46 -10.229 -11.226 5.030 1.00 0.00 C ATOM 2343 CD GLU C 46 -11.348 -11.070 4.004 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -11.122 -11.465 2.837 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -12.426 -10.558 4.389 1.00 0.00 O ATOM 0 H GLU C 46 -7.031 -9.024 4.411 1.00 0.00 H new ATOM 0 HA GLU C 46 -8.323 -10.176 6.708 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -9.386 -9.305 4.565 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -8.643 -10.639 3.705 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -9.909 -12.267 5.071 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -10.599 -10.967 6.022 1.00 0.00 H new ATOM 2352 N ILE C 47 -6.055 -11.942 5.324 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.413 -13.247 5.257 1.00 0.00 C ATOM 2354 C ILE C 47 -4.003 -13.203 5.839 1.00 0.00 C ATOM 2355 O ILE C 47 -3.500 -14.232 6.279 1.00 0.00 O ATOM 2356 CB ILE C 47 -5.425 -13.736 3.800 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.832 -14.246 3.463 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -4.377 -14.818 3.529 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -6.873 -14.954 2.109 1.00 0.00 C ATOM 0 H ILE C 47 -5.476 -11.173 4.987 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.970 -13.958 5.867 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.163 -12.895 3.157 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -7.165 -14.932 4.242 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.530 -13.409 3.456 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -4.432 -15.125 2.484 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -3.383 -14.423 3.739 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -4.568 -15.678 4.170 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.887 -15.299 1.910 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -6.565 -14.261 1.326 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.196 -15.808 2.124 1.00 0.00 H new ATOM 2371 N TYR C 48 -3.339 -12.046 5.860 1.00 0.00 N ATOM 2372 CA TYR C 48 -2.002 -12.026 6.418 1.00 0.00 C ATOM 2373 C TYR C 48 -2.038 -12.407 7.892 1.00 0.00 C ATOM 2374 O TYR C 48 -1.130 -13.065 8.396 1.00 0.00 O ATOM 2375 CB TYR C 48 -1.382 -10.642 6.264 1.00 0.00 C ATOM 2376 CG TYR C 48 0.012 -10.635 6.832 1.00 0.00 C ATOM 2377 CD1 TYR C 48 1.079 -11.076 6.037 1.00 0.00 C ATOM 2378 CD2 TYR C 48 0.230 -10.210 8.146 1.00 0.00 C ATOM 2379 CE1 TYR C 48 2.377 -11.101 6.565 1.00 0.00 C ATOM 2380 CE2 TYR C 48 1.523 -10.230 8.680 1.00 0.00 C ATOM 2381 CZ TYR C 48 2.606 -10.663 7.885 1.00 0.00 C ATOM 2382 OH TYR C 48 3.869 -10.664 8.402 1.00 0.00 O ATOM 0 H TYR C 48 -3.691 -11.154 5.513 1.00 0.00 H new ATOM 0 HA TYR C 48 -1.395 -12.751 5.876 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -1.356 -10.362 5.211 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.996 -9.901 6.776 1.00 0.00 H new ATOM 0 HD1 TYR C 48 0.901 -11.396 5.021 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.598 -9.867 8.748 1.00 0.00 H new ATOM 0 HE1 TYR C 48 3.200 -11.455 5.962 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.692 -9.915 9.699 1.00 0.00 H new ATOM 0 HH TYR C 48 3.846 -10.330 9.323 1.00 0.00 H new ATOM 2392 N GLN C 49 -3.101 -11.992 8.582 1.00 0.00 N ATOM 2393 CA GLN C 49 -3.256 -12.225 10.005 1.00 0.00 C ATOM 2394 C GLN C 49 -3.606 -13.681 10.292 1.00 0.00 C ATOM 2395 O GLN C 49 -3.541 -14.111 11.442 1.00 0.00 O ATOM 2396 CB GLN C 49 -4.334 -11.281 10.541 1.00 0.00 C ATOM 2397 CG GLN C 49 -3.967 -9.836 10.200 1.00 0.00 C ATOM 2398 CD GLN C 49 -4.967 -8.843 10.783 1.00 0.00 C ATOM 2399 OE1 GLN C 49 -4.955 -8.562 11.977 1.00 0.00 O ATOM 2400 NE2 GLN C 49 -5.842 -8.303 9.941 1.00 0.00 N ATOM 0 H GLN C 49 -3.878 -11.483 8.161 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.312 -12.023 10.510 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -5.301 -11.533 10.106 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -4.429 -11.397 11.621 1.00 0.00 H new ATOM 0 HG2 GLN C 49 -2.971 -9.615 10.582 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -3.927 -9.717 9.117 1.00 0.00 H new ATOM 0 HE21 GLN C 49 -5.824 -8.559 8.954 1.00 0.00 H new ATOM 0 HE22 GLN C 49 -6.531 -7.633 10.282 1.00 0.00 H new ATOM 2409 N ARG C 50 -3.977 -14.448 9.257 1.00 0.00 N ATOM 2410 CA ARG C 50 -4.255 -15.868 9.412 1.00 0.00 C ATOM 2411 C ARG C 50 -3.005 -16.689 9.107 1.00 0.00 C ATOM 2412 O ARG C 50 -2.827 -17.763 9.668 1.00 0.00 O ATOM 2413 CB ARG C 50 -5.457 -16.265 8.541 1.00 0.00 C ATOM 2414 CG ARG C 50 -5.063 -16.939 7.223 1.00 0.00 C ATOM 2415 CD ARG C 50 -6.295 -17.158 6.343 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.311 -17.976 7.020 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.185 -19.270 7.334 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -6.102 -19.963 6.995 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -8.159 -19.883 7.999 1.00 0.00 N ATOM 0 H ARG C 50 -4.089 -14.100 8.305 1.00 0.00 H new ATOM 0 HA ARG C 50 -4.525 -16.081 10.446 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.098 -16.940 9.107 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.046 -15.375 8.322 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -4.337 -16.321 6.695 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -4.580 -17.895 7.427 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -6.725 -16.193 6.074 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -5.997 -17.644 5.414 1.00 0.00 H new ATOM 0 HE ARG C 50 -8.187 -17.518 7.272 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -5.345 -19.509 6.485 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -6.028 -20.949 7.245 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -8.997 -19.367 8.267 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -8.069 -20.870 8.241 1.00 0.00 H new ATOM 2433 N ILE C 51 -2.141 -16.181 8.221 1.00 0.00 N ATOM 2434 CA ILE C 51 -0.861 -16.808 7.909 1.00 0.00 C ATOM 2435 C ILE C 51 0.043 -16.696 9.127 1.00 0.00 C ATOM 2436 O ILE C 51 0.653 -17.673 9.559 1.00 0.00 O ATOM 2437 CB ILE C 51 -0.238 -16.091 6.706 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -1.090 -16.331 5.455 1.00 0.00 C ATOM 2439 CG2 ILE C 51 1.190 -16.574 6.426 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -0.667 -15.383 4.340 1.00 0.00 C ATOM 0 H ILE C 51 -2.315 -15.321 7.701 1.00 0.00 H new ATOM 0 HA ILE C 51 -0.995 -17.861 7.660 1.00 0.00 H new ATOM 0 HB ILE C 51 -0.203 -15.029 6.948 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -0.981 -17.364 5.125 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -2.144 -16.181 5.690 1.00 0.00 H new ATOM 0 HG21 ILE C 51 1.593 -16.040 5.566 1.00 0.00 H new ATOM 0 HG22 ILE C 51 1.816 -16.383 7.298 1.00 0.00 H new ATOM 0 HG23 ILE C 51 1.178 -17.643 6.216 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -1.280 -15.564 3.457 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -0.799 -14.352 4.669 1.00 0.00 H new ATOM 0 HD13 ILE C 51 0.381 -15.554 4.095 1.00 0.00 H new ATOM 2452 N GLN C 52 0.131 -15.492 9.689 1.00 0.00 N ATOM 2453 CA GLN C 52 0.997 -15.229 10.824 1.00 0.00 C ATOM 2454 C GLN C 52 0.418 -15.801 12.115 1.00 0.00 C ATOM 2455 O GLN C 52 0.973 -15.585 13.190 1.00 0.00 O ATOM 2456 CB GLN C 52 1.268 -13.723 10.906 1.00 0.00 C ATOM 2457 CG GLN C 52 2.028 -13.284 9.653 1.00 0.00 C ATOM 2458 CD GLN C 52 3.260 -14.146 9.406 1.00 0.00 C ATOM 2459 OE1 GLN C 52 4.248 -14.063 10.130 1.00 0.00 O ATOM 2460 NE2 GLN C 52 3.202 -14.977 8.371 1.00 0.00 N ATOM 0 H GLN C 52 -0.395 -14.679 9.369 1.00 0.00 H new ATOM 0 HA GLN C 52 1.950 -15.738 10.684 1.00 0.00 H new ATOM 0 HB2 GLN C 52 0.329 -13.176 10.988 1.00 0.00 H new ATOM 0 HB3 GLN C 52 1.850 -13.493 11.799 1.00 0.00 H new ATOM 0 HG2 GLN C 52 1.366 -13.340 8.789 1.00 0.00 H new ATOM 0 HG3 GLN C 52 2.329 -12.242 9.757 1.00 0.00 H new ATOM 0 HE21 GLN C 52 2.362 -15.015 7.794 1.00 0.00 H new ATOM 0 HE22 GLN C 52 3.998 -15.577 8.153 1.00 0.00 H new ATOM 2469 N ALA C 53 -0.698 -16.533 12.015 1.00 0.00 N ATOM 2470 CA ALA C 53 -1.281 -17.195 13.163 1.00 0.00 C ATOM 2471 C ALA C 53 -0.446 -18.418 13.569 1.00 0.00 C ATOM 2472 O ALA C 53 -0.598 -18.916 14.684 1.00 0.00 O ATOM 2473 CB ALA C 53 -2.711 -17.613 12.829 1.00 0.00 C ATOM 0 H ALA C 53 -1.208 -16.675 11.143 1.00 0.00 H new ATOM 0 HA ALA C 53 -1.292 -16.504 14.006 1.00 0.00 H new ATOM 0 HB1 ALA C 53 -3.155 -18.112 13.690 1.00 0.00 H new ATOM 0 HB2 ALA C 53 -3.299 -16.730 12.579 1.00 0.00 H new ATOM 0 HB3 ALA C 53 -2.701 -18.296 11.979 1.00 0.00 H new ATOM 2479 N GLY C 54 0.429 -18.905 12.676 1.00 0.00 N ATOM 2480 CA GLY C 54 1.293 -20.046 12.959 1.00 0.00 C ATOM 2481 C GLY C 54 1.264 -21.079 11.835 1.00 0.00 C ATOM 2482 O GLY C 54 1.654 -22.230 12.048 1.00 0.00 O ATOM 0 H GLY C 54 0.552 -18.515 11.741 1.00 0.00 H new ATOM 0 HA2 GLY C 54 2.316 -19.699 13.106 1.00 0.00 H new ATOM 0 HA3 GLY C 54 0.979 -20.516 13.891 1.00 0.00 H new ATOM 2486 N LEU C 55 0.808 -20.687 10.645 1.00 0.00 N ATOM 2487 CA LEU C 55 0.595 -21.597 9.526 1.00 0.00 C ATOM 2488 C LEU C 55 0.982 -20.941 8.198 1.00 0.00 C ATOM 2489 O LEU C 55 1.531 -19.844 8.179 1.00 0.00 O ATOM 2490 CB LEU C 55 -0.874 -22.037 9.554 1.00 0.00 C ATOM 2491 CG LEU C 55 -1.857 -20.861 9.496 1.00 0.00 C ATOM 2492 CD1 LEU C 55 -2.056 -20.343 8.071 1.00 0.00 C ATOM 2493 CD2 LEU C 55 -3.214 -21.334 10.006 1.00 0.00 C ATOM 0 H LEU C 55 0.574 -19.717 10.432 1.00 0.00 H new ATOM 0 HA LEU C 55 1.235 -22.474 9.620 1.00 0.00 H new ATOM 0 HB2 LEU C 55 -1.063 -22.703 8.712 1.00 0.00 H new ATOM 0 HB3 LEU C 55 -1.058 -22.611 10.462 1.00 0.00 H new ATOM 0 HG LEU C 55 -1.444 -20.057 10.105 1.00 0.00 H new ATOM 0 HD11 LEU C 55 -2.760 -19.511 8.081 1.00 0.00 H new ATOM 0 HD12 LEU C 55 -1.101 -20.005 7.670 1.00 0.00 H new ATOM 0 HD13 LEU C 55 -2.449 -21.143 7.445 1.00 0.00 H new ATOM 0 HD21 LEU C 55 -3.924 -20.508 9.971 1.00 0.00 H new ATOM 0 HD22 LEU C 55 -3.574 -22.149 9.379 1.00 0.00 H new ATOM 0 HD23 LEU C 55 -3.115 -21.683 11.034 1.00 0.00 H new ATOM 2505 N THR C 56 0.697 -21.614 7.083 1.00 0.00 N ATOM 2506 CA THR C 56 0.965 -21.086 5.749 1.00 0.00 C ATOM 2507 C THR C 56 -0.167 -21.462 4.797 1.00 0.00 C ATOM 2508 O THR C 56 -1.040 -22.256 5.144 1.00 0.00 O ATOM 2509 CB THR C 56 2.306 -21.615 5.228 1.00 0.00 C ATOM 2510 OG1 THR C 56 2.290 -23.026 5.213 1.00 0.00 O ATOM 2511 CG2 THR C 56 3.457 -21.136 6.114 1.00 0.00 C ATOM 0 H THR C 56 0.273 -22.542 7.081 1.00 0.00 H new ATOM 0 HA THR C 56 1.023 -19.999 5.806 1.00 0.00 H new ATOM 0 HB THR C 56 2.455 -21.235 4.217 1.00 0.00 H new ATOM 0 HG1 THR C 56 3.148 -23.359 4.878 1.00 0.00 H new ATOM 0 HG21 THR C 56 4.400 -21.523 5.727 1.00 0.00 H new ATOM 0 HG22 THR C 56 3.485 -20.046 6.116 1.00 0.00 H new ATOM 0 HG23 THR C 56 3.308 -21.497 7.132 1.00 0.00 H new ATOM 2519 N ALA C 57 -0.154 -20.886 3.591 1.00 0.00 N ATOM 2520 CA ALA C 57 -1.177 -21.134 2.591 1.00 0.00 C ATOM 2521 C ALA C 57 -1.289 -22.628 2.270 1.00 0.00 C ATOM 2522 O ALA C 57 -0.303 -23.360 2.359 1.00 0.00 O ATOM 2523 CB ALA C 57 -0.840 -20.349 1.328 1.00 0.00 C ATOM 0 H ALA C 57 0.570 -20.235 3.288 1.00 0.00 H new ATOM 0 HA ALA C 57 -2.139 -20.807 2.985 1.00 0.00 H new ATOM 0 HB1 ALA C 57 -1.604 -20.530 0.572 1.00 0.00 H new ATOM 0 HB2 ALA C 57 -0.804 -19.285 1.560 1.00 0.00 H new ATOM 0 HB3 ALA C 57 0.130 -20.670 0.948 1.00 0.00 H new