USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 ASN : amide:sc= -0.3 K(o=-5,f=-6.6!) USER MOD Set 1.2: A 49 ASN : amide:sc= -4.65 K(o=-5,f=-18!) USER MOD Set 2.1: A 26 TYR OH : rot 131:sc= 0.0168 USER MOD Set 2.2: A 38 THR OG1 : rot -18:sc= 0.234 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 23 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.42 K(o=-2.4,f=-0.69) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.52! C(o=-1.5!,f=-5.3!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= -0.143 (180deg=-0.644) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0.441 K(o=0.44,f=-1.9!) USER MOD Single : A 53 GLN : amide:sc= -0.139 K(o=-0.14,f=-3.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0095 K(o=-0.0095,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.338 (180deg=-1.57!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -115:sc= 1.04 (180deg=-0.285) USER MOD Single : A 69 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= -1.46! (180deg=-3.44!) USER MOD Single : A 81 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 37:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.504 -12.831 -39.416 1.00 0.00 N ATOM 2 CA GLY A 1 -48.931 -12.806 -38.029 1.00 0.00 C ATOM 3 C GLY A 1 -49.934 -11.705 -37.751 1.00 0.00 C ATOM 4 O GLY A 1 -51.138 -11.955 -37.684 1.00 0.00 O ATOM 0 H1 GLY A 1 -47.819 -13.601 -39.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.329 -12.987 -40.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 -48.058 -11.923 -39.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -49.372 -13.769 -37.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -48.061 -12.671 -37.387 1.00 0.00 H new ATOM 8 N SER A 2 -49.439 -10.483 -37.586 1.00 0.00 N ATOM 9 CA SER A 2 -50.300 -9.340 -37.307 1.00 0.00 C ATOM 10 C SER A 2 -50.551 -8.527 -38.574 1.00 0.00 C ATOM 11 O SER A 2 -50.006 -8.827 -39.635 1.00 0.00 O ATOM 12 CB SER A 2 -49.671 -8.450 -36.233 1.00 0.00 C ATOM 13 OG SER A 2 -49.758 -9.055 -34.954 1.00 0.00 O ATOM 0 H SER A 2 -48.445 -10.259 -37.641 1.00 0.00 H new ATOM 0 HA SER A 2 -51.255 -9.717 -36.942 1.00 0.00 H new ATOM 0 HB2 SER A 2 -48.626 -8.261 -36.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 -50.174 -7.483 -36.217 1.00 0.00 H new ATOM 0 HG SER A 2 -49.348 -8.467 -34.286 1.00 0.00 H new ATOM 19 N SER A 3 -51.381 -7.496 -38.453 1.00 0.00 N ATOM 20 CA SER A 3 -51.708 -6.641 -39.588 1.00 0.00 C ATOM 21 C SER A 3 -50.612 -5.606 -39.823 1.00 0.00 C ATOM 22 O SER A 3 -50.124 -5.445 -40.940 1.00 0.00 O ATOM 23 CB SER A 3 -53.047 -5.938 -39.355 1.00 0.00 C ATOM 24 OG SER A 3 -54.064 -6.872 -39.036 1.00 0.00 O ATOM 0 H SER A 3 -51.839 -7.233 -37.581 1.00 0.00 H new ATOM 0 HA SER A 3 -51.785 -7.270 -40.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 -52.946 -5.215 -38.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 -53.329 -5.380 -40.248 1.00 0.00 H new ATOM 0 HG SER A 3 -54.909 -6.398 -38.890 1.00 0.00 H new ATOM 30 N GLY A 4 -50.229 -4.907 -38.759 1.00 0.00 N ATOM 31 CA GLY A 4 -49.194 -3.896 -38.869 1.00 0.00 C ATOM 32 C GLY A 4 -47.850 -4.482 -39.252 1.00 0.00 C ATOM 33 O GLY A 4 -47.684 -5.702 -39.288 1.00 0.00 O ATOM 0 H GLY A 4 -50.617 -5.023 -37.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -49.490 -3.157 -39.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -49.100 -3.371 -37.918 1.00 0.00 H new ATOM 37 N SER A 5 -46.887 -3.612 -39.541 1.00 0.00 N ATOM 38 CA SER A 5 -45.551 -4.051 -39.929 1.00 0.00 C ATOM 39 C SER A 5 -44.988 -5.041 -38.914 1.00 0.00 C ATOM 40 O SER A 5 -45.292 -4.967 -37.724 1.00 0.00 O ATOM 41 CB SER A 5 -44.614 -2.849 -40.060 1.00 0.00 C ATOM 42 OG SER A 5 -43.265 -3.265 -40.182 1.00 0.00 O ATOM 0 H SER A 5 -47.007 -2.599 -39.514 1.00 0.00 H new ATOM 0 HA SER A 5 -45.626 -4.551 -40.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 -44.896 -2.258 -40.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 -44.721 -2.203 -39.188 1.00 0.00 H new ATOM 0 HG SER A 5 -42.686 -2.478 -40.266 1.00 0.00 H new ATOM 48 N SER A 6 -44.166 -5.969 -39.395 1.00 0.00 N ATOM 49 CA SER A 6 -43.563 -6.977 -38.532 1.00 0.00 C ATOM 50 C SER A 6 -42.041 -6.937 -38.631 1.00 0.00 C ATOM 51 O SER A 6 -41.484 -6.412 -39.594 1.00 0.00 O ATOM 52 CB SER A 6 -44.073 -8.370 -38.905 1.00 0.00 C ATOM 53 OG SER A 6 -45.331 -8.630 -38.307 1.00 0.00 O ATOM 0 H SER A 6 -43.903 -6.043 -40.378 1.00 0.00 H new ATOM 0 HA SER A 6 -43.849 -6.757 -37.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 -44.158 -8.451 -39.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 -43.352 -9.122 -38.585 1.00 0.00 H new ATOM 0 HG SER A 6 -45.636 -9.526 -38.562 1.00 0.00 H new ATOM 59 N GLY A 7 -41.374 -7.496 -37.626 1.00 0.00 N ATOM 60 CA GLY A 7 -39.923 -7.513 -37.618 1.00 0.00 C ATOM 61 C GLY A 7 -39.338 -6.619 -36.543 1.00 0.00 C ATOM 62 O GLY A 7 -39.424 -6.927 -35.354 1.00 0.00 O ATOM 0 H GLY A 7 -41.812 -7.937 -36.818 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -39.576 -8.535 -37.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -39.554 -7.193 -38.592 1.00 0.00 H new ATOM 66 N LEU A 8 -38.739 -5.509 -36.961 1.00 0.00 N ATOM 67 CA LEU A 8 -38.135 -4.567 -36.025 1.00 0.00 C ATOM 68 C LEU A 8 -37.115 -5.265 -35.132 1.00 0.00 C ATOM 69 O LEU A 8 -37.129 -5.104 -33.911 1.00 0.00 O ATOM 70 CB LEU A 8 -39.216 -3.908 -35.166 1.00 0.00 C ATOM 71 CG LEU A 8 -39.835 -2.629 -35.731 1.00 0.00 C ATOM 72 CD1 LEU A 8 -40.892 -2.963 -36.772 1.00 0.00 C ATOM 73 CD2 LEU A 8 -40.433 -1.787 -34.613 1.00 0.00 C ATOM 0 H LEU A 8 -38.659 -5.239 -37.941 1.00 0.00 H new ATOM 0 HA LEU A 8 -37.620 -3.799 -36.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -40.014 -4.632 -35.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -38.788 -3.680 -34.190 1.00 0.00 H new ATOM 0 HG LEU A 8 -39.048 -2.050 -36.214 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -41.322 -2.041 -37.163 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -40.435 -3.525 -37.587 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -41.678 -3.563 -36.313 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -40.869 -0.881 -35.033 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -41.207 -2.359 -34.101 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -39.652 -1.518 -33.902 1.00 0.00 H new ATOM 85 N LYS A 9 -36.229 -6.039 -35.748 1.00 0.00 N ATOM 86 CA LYS A 9 -35.198 -6.760 -35.010 1.00 0.00 C ATOM 87 C LYS A 9 -34.638 -5.903 -33.879 1.00 0.00 C ATOM 88 O LYS A 9 -34.566 -4.679 -33.993 1.00 0.00 O ATOM 89 CB LYS A 9 -34.067 -7.180 -35.953 1.00 0.00 C ATOM 90 CG LYS A 9 -33.129 -6.045 -36.321 1.00 0.00 C ATOM 91 CD LYS A 9 -33.577 -5.340 -37.591 1.00 0.00 C ATOM 92 CE LYS A 9 -34.447 -4.132 -37.280 1.00 0.00 C ATOM 93 NZ LYS A 9 -34.417 -3.129 -38.380 1.00 0.00 N ATOM 0 H LYS A 9 -36.204 -6.184 -36.757 1.00 0.00 H new ATOM 0 HA LYS A 9 -35.652 -7.651 -34.577 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -33.492 -7.978 -35.484 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -34.500 -7.593 -36.864 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -33.086 -5.328 -35.502 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -32.120 -6.435 -36.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -32.703 -5.024 -38.160 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -34.131 -6.037 -38.219 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -35.474 -4.457 -37.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -34.106 -3.667 -36.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -35.022 -2.321 -38.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -33.441 -2.799 -38.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -34.767 -3.565 -39.257 1.00 0.00 H new ATOM 107 N ARG A 10 -34.243 -6.553 -32.790 1.00 0.00 N ATOM 108 CA ARG A 10 -33.690 -5.850 -31.639 1.00 0.00 C ATOM 109 C ARG A 10 -33.116 -6.835 -30.624 1.00 0.00 C ATOM 110 O ARG A 10 -33.339 -8.042 -30.721 1.00 0.00 O ATOM 111 CB ARG A 10 -34.766 -4.988 -30.976 1.00 0.00 C ATOM 112 CG ARG A 10 -36.003 -5.768 -30.563 1.00 0.00 C ATOM 113 CD ARG A 10 -37.251 -4.901 -30.611 1.00 0.00 C ATOM 114 NE ARG A 10 -38.457 -5.658 -30.286 1.00 0.00 N ATOM 115 CZ ARG A 10 -39.685 -5.241 -30.572 1.00 0.00 C ATOM 116 NH1 ARG A 10 -39.869 -4.081 -31.187 1.00 0.00 N ATOM 117 NH2 ARG A 10 -40.733 -5.987 -30.245 1.00 0.00 N ATOM 0 H ARG A 10 -34.296 -7.566 -32.680 1.00 0.00 H new ATOM 0 HA ARG A 10 -32.884 -5.206 -31.991 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -34.341 -4.505 -30.096 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -35.060 -4.196 -31.664 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -36.130 -6.627 -31.222 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -35.868 -6.158 -29.554 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -37.144 -4.072 -29.911 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -37.353 -4.467 -31.606 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.350 -6.556 -29.814 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.066 -3.506 -31.442 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -40.813 -3.764 -31.405 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.595 -6.881 -29.774 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -41.676 -5.666 -30.465 1.00 0.00 H new ATOM 131 N ASP A 11 -32.376 -6.312 -29.653 1.00 0.00 N ATOM 132 CA ASP A 11 -31.770 -7.145 -28.621 1.00 0.00 C ATOM 133 C ASP A 11 -32.352 -6.819 -27.249 1.00 0.00 C ATOM 134 O ASP A 11 -32.850 -5.716 -27.020 1.00 0.00 O ATOM 135 CB ASP A 11 -30.253 -6.951 -28.604 1.00 0.00 C ATOM 136 CG ASP A 11 -29.831 -5.752 -27.777 1.00 0.00 C ATOM 137 OD1 ASP A 11 -29.832 -4.627 -28.320 1.00 0.00 O ATOM 138 OD2 ASP A 11 -29.502 -5.939 -26.588 1.00 0.00 O ATOM 0 H ASP A 11 -32.181 -5.315 -29.559 1.00 0.00 H new ATOM 0 HA ASP A 11 -31.992 -8.187 -28.853 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -29.780 -7.848 -28.205 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -29.894 -6.828 -29.626 1.00 0.00 H new ATOM 143 N PHE A 12 -32.287 -7.785 -26.339 1.00 0.00 N ATOM 144 CA PHE A 12 -32.809 -7.601 -24.990 1.00 0.00 C ATOM 145 C PHE A 12 -31.673 -7.441 -23.984 1.00 0.00 C ATOM 146 O PHE A 12 -30.683 -8.172 -24.028 1.00 0.00 O ATOM 147 CB PHE A 12 -33.690 -8.788 -24.595 1.00 0.00 C ATOM 148 CG PHE A 12 -33.112 -10.119 -24.983 1.00 0.00 C ATOM 149 CD1 PHE A 12 -33.188 -10.568 -26.292 1.00 0.00 C ATOM 150 CD2 PHE A 12 -32.493 -10.922 -24.039 1.00 0.00 C ATOM 151 CE1 PHE A 12 -32.657 -11.792 -26.653 1.00 0.00 C ATOM 152 CE2 PHE A 12 -31.960 -12.147 -24.393 1.00 0.00 C ATOM 153 CZ PHE A 12 -32.043 -12.583 -25.702 1.00 0.00 C ATOM 0 H PHE A 12 -31.878 -8.703 -26.511 1.00 0.00 H new ATOM 0 HA PHE A 12 -33.410 -6.692 -24.981 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -33.848 -8.770 -23.517 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -34.668 -8.676 -25.062 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -33.668 -9.954 -27.039 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -32.426 -10.587 -23.014 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -32.722 -12.129 -27.677 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -31.479 -12.763 -23.648 1.00 0.00 H new ATOM 0 HZ PHE A 12 -31.628 -13.541 -25.981 1.00 0.00 H new ATOM 163 N ILE A 13 -31.823 -6.479 -23.080 1.00 0.00 N ATOM 164 CA ILE A 13 -30.811 -6.222 -22.063 1.00 0.00 C ATOM 165 C ILE A 13 -31.211 -6.830 -20.723 1.00 0.00 C ATOM 166 O ILE A 13 -32.370 -6.750 -20.315 1.00 0.00 O ATOM 167 CB ILE A 13 -30.569 -4.713 -21.877 1.00 0.00 C ATOM 168 CG1 ILE A 13 -29.432 -4.475 -20.882 1.00 0.00 C ATOM 169 CG2 ILE A 13 -31.843 -4.026 -21.408 1.00 0.00 C ATOM 170 CD1 ILE A 13 -28.665 -3.195 -21.135 1.00 0.00 C ATOM 0 H ILE A 13 -32.636 -5.865 -23.031 1.00 0.00 H new ATOM 0 HA ILE A 13 -29.890 -6.689 -22.411 1.00 0.00 H new ATOM 0 HB ILE A 13 -30.281 -4.285 -22.837 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -29.843 -4.449 -19.873 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -28.741 -5.317 -20.924 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -31.656 -2.960 -21.281 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -32.629 -4.171 -22.150 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -32.159 -4.455 -20.457 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -27.874 -3.092 -20.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -28.224 -3.226 -22.132 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -29.343 -2.344 -21.064 1.00 0.00 H new ATOM 182 N ILE A 14 -30.244 -7.436 -20.042 1.00 0.00 N ATOM 183 CA ILE A 14 -30.495 -8.055 -18.746 1.00 0.00 C ATOM 184 C ILE A 14 -29.663 -7.395 -17.652 1.00 0.00 C ATOM 185 O ILE A 14 -28.432 -7.434 -17.683 1.00 0.00 O ATOM 186 CB ILE A 14 -30.184 -9.563 -18.773 1.00 0.00 C ATOM 187 CG1 ILE A 14 -31.044 -10.264 -19.827 1.00 0.00 C ATOM 188 CG2 ILE A 14 -30.416 -10.176 -17.400 1.00 0.00 C ATOM 189 CD1 ILE A 14 -30.591 -11.674 -20.136 1.00 0.00 C ATOM 0 H ILE A 14 -29.280 -7.512 -20.366 1.00 0.00 H new ATOM 0 HA ILE A 14 -31.554 -7.915 -18.529 1.00 0.00 H new ATOM 0 HB ILE A 14 -29.135 -9.698 -19.038 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -32.078 -10.290 -19.482 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -31.029 -9.677 -20.745 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -30.192 -11.242 -17.435 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -29.766 -9.692 -16.671 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -31.457 -10.033 -17.109 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -31.246 -12.109 -20.891 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -29.568 -11.653 -20.511 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -30.632 -12.277 -19.229 1.00 0.00 H new ATOM 201 N LEU A 15 -30.343 -6.791 -16.683 1.00 0.00 N ATOM 202 CA LEU A 15 -29.667 -6.124 -15.576 1.00 0.00 C ATOM 203 C LEU A 15 -29.849 -6.903 -14.277 1.00 0.00 C ATOM 204 O LEU A 15 -30.691 -6.560 -13.448 1.00 0.00 O ATOM 205 CB LEU A 15 -30.202 -4.701 -15.409 1.00 0.00 C ATOM 206 CG LEU A 15 -29.570 -3.637 -16.308 1.00 0.00 C ATOM 207 CD1 LEU A 15 -30.424 -2.379 -16.326 1.00 0.00 C ATOM 208 CD2 LEU A 15 -28.156 -3.318 -15.844 1.00 0.00 C ATOM 0 H LEU A 15 -31.361 -6.750 -16.642 1.00 0.00 H new ATOM 0 HA LEU A 15 -28.602 -6.081 -15.806 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -31.276 -4.714 -15.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -30.062 -4.401 -14.371 1.00 0.00 H new ATOM 0 HG LEU A 15 -29.517 -4.030 -17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -29.959 -1.633 -16.970 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -31.417 -2.619 -16.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -30.509 -1.982 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -27.722 -2.559 -16.495 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -28.185 -2.945 -14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -27.547 -4.221 -15.884 1.00 0.00 H new ATOM 220 N GLY A 16 -29.052 -7.954 -14.106 1.00 0.00 N ATOM 221 CA GLY A 16 -29.140 -8.764 -12.906 1.00 0.00 C ATOM 222 C GLY A 16 -27.957 -9.699 -12.748 1.00 0.00 C ATOM 223 O GLY A 16 -28.126 -10.880 -12.452 1.00 0.00 O ATOM 0 H GLY A 16 -28.347 -8.258 -14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -29.202 -8.112 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -30.060 -9.348 -12.933 1.00 0.00 H new ATOM 227 N ASN A 17 -26.755 -9.168 -12.950 1.00 0.00 N ATOM 228 CA ASN A 17 -25.539 -9.963 -12.831 1.00 0.00 C ATOM 229 C ASN A 17 -24.624 -9.399 -11.748 1.00 0.00 C ATOM 230 O ASN A 17 -23.867 -8.459 -11.987 1.00 0.00 O ATOM 231 CB ASN A 17 -24.798 -10.004 -14.169 1.00 0.00 C ATOM 232 CG ASN A 17 -23.680 -11.028 -14.180 1.00 0.00 C ATOM 233 OD1 ASN A 17 -23.912 -12.220 -13.978 1.00 0.00 O ATOM 234 ND2 ASN A 17 -22.457 -10.566 -14.417 1.00 0.00 N ATOM 0 H ASN A 17 -26.598 -8.191 -13.197 1.00 0.00 H new ATOM 0 HA ASN A 17 -25.824 -10.977 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -25.505 -10.234 -14.966 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -24.386 -9.018 -14.383 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.664 -11.208 -14.437 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.311 -9.570 -14.579 1.00 0.00 H new ATOM 241 N GLY A 18 -24.699 -9.982 -10.555 1.00 0.00 N ATOM 242 CA GLY A 18 -23.872 -9.526 -9.453 1.00 0.00 C ATOM 243 C GLY A 18 -23.756 -10.558 -8.349 1.00 0.00 C ATOM 244 O GLY A 18 -24.282 -10.384 -7.249 1.00 0.00 O ATOM 0 H GLY A 18 -25.318 -10.762 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -22.877 -9.284 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -24.292 -8.607 -9.044 1.00 0.00 H new ATOM 248 N PRO A 19 -23.053 -11.663 -8.639 1.00 0.00 N ATOM 249 CA PRO A 19 -22.854 -12.750 -7.675 1.00 0.00 C ATOM 250 C PRO A 19 -21.933 -12.346 -6.529 1.00 0.00 C ATOM 251 O PRO A 19 -21.675 -13.136 -5.620 1.00 0.00 O ATOM 252 CB PRO A 19 -22.209 -13.855 -8.515 1.00 0.00 C ATOM 253 CG PRO A 19 -21.542 -13.137 -9.637 1.00 0.00 C ATOM 254 CD PRO A 19 -22.399 -11.937 -9.929 1.00 0.00 C ATOM 0 HA PRO A 19 -23.788 -13.048 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -21.491 -14.429 -7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -22.955 -14.559 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -20.531 -12.837 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -21.456 -13.778 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -21.802 -11.089 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.127 -12.145 -10.713 1.00 0.00 H new ATOM 262 N ARG A 20 -21.441 -11.113 -6.577 1.00 0.00 N ATOM 263 CA ARG A 20 -20.548 -10.605 -5.542 1.00 0.00 C ATOM 264 C ARG A 20 -21.225 -10.640 -4.175 1.00 0.00 C ATOM 265 O ARG A 20 -21.908 -9.693 -3.784 1.00 0.00 O ATOM 266 CB ARG A 20 -20.112 -9.176 -5.871 1.00 0.00 C ATOM 267 CG ARG A 20 -19.085 -8.615 -4.902 1.00 0.00 C ATOM 268 CD ARG A 20 -19.751 -7.911 -3.730 1.00 0.00 C ATOM 269 NE ARG A 20 -18.846 -6.974 -3.068 1.00 0.00 N ATOM 270 CZ ARG A 20 -19.260 -5.929 -2.360 1.00 0.00 C ATOM 271 NH1 ARG A 20 -20.556 -5.689 -2.222 1.00 0.00 N ATOM 272 NH2 ARG A 20 -18.376 -5.122 -1.787 1.00 0.00 N ATOM 0 H ARG A 20 -21.645 -10.447 -7.322 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.668 -11.247 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.698 -9.154 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.989 -8.529 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.454 -9.423 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.433 -7.915 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.633 -7.376 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.095 -8.653 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.842 -7.131 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.239 -6.307 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.871 -4.886 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.378 -5.304 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.695 -4.320 -1.244 1.00 0.00 H new ATOM 286 N LEU A 21 -21.030 -11.738 -3.453 1.00 0.00 N ATOM 287 CA LEU A 21 -21.622 -11.898 -2.129 1.00 0.00 C ATOM 288 C LEU A 21 -20.570 -11.723 -1.038 1.00 0.00 C ATOM 289 O LEU A 21 -20.668 -10.819 -0.208 1.00 0.00 O ATOM 290 CB LEU A 21 -22.278 -13.274 -2.004 1.00 0.00 C ATOM 291 CG LEU A 21 -23.479 -13.362 -1.062 1.00 0.00 C ATOM 292 CD1 LEU A 21 -23.022 -13.344 0.389 1.00 0.00 C ATOM 293 CD2 LEU A 21 -24.452 -12.223 -1.330 1.00 0.00 C ATOM 0 H LEU A 21 -20.467 -12.530 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 21 -22.382 -11.127 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.596 -13.594 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -21.524 -13.985 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.994 -14.305 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -23.890 -13.407 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -22.365 -14.194 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -22.483 -12.418 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -25.301 -12.302 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -23.948 -11.269 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -24.805 -12.281 -2.360 1.00 0.00 H new ATOM 305 N GLN A 22 -19.565 -12.591 -1.047 1.00 0.00 N ATOM 306 CA GLN A 22 -18.494 -12.531 -0.059 1.00 0.00 C ATOM 307 C GLN A 22 -17.137 -12.372 -0.736 1.00 0.00 C ATOM 308 O GLN A 22 -16.332 -13.302 -0.760 1.00 0.00 O ATOM 309 CB GLN A 22 -18.500 -13.791 0.808 1.00 0.00 C ATOM 310 CG GLN A 22 -19.548 -13.767 1.909 1.00 0.00 C ATOM 311 CD GLN A 22 -19.523 -15.017 2.767 1.00 0.00 C ATOM 312 OE1 GLN A 22 -18.532 -15.747 2.790 1.00 0.00 O ATOM 313 NE2 GLN A 22 -20.615 -15.270 3.477 1.00 0.00 N ATOM 0 H GLN A 22 -19.469 -13.345 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.667 -11.661 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.673 -14.659 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.515 -13.917 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -19.385 -12.894 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -20.536 -13.657 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -21.413 -14.637 3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.656 -16.097 4.072 1.00 0.00 H new ATOM 322 N ASN A 23 -16.890 -11.187 -1.285 1.00 0.00 N ATOM 323 CA ASN A 23 -15.630 -10.907 -1.963 1.00 0.00 C ATOM 324 C ASN A 23 -14.995 -9.628 -1.425 1.00 0.00 C ATOM 325 O ASN A 23 -15.093 -8.567 -2.042 1.00 0.00 O ATOM 326 CB ASN A 23 -15.855 -10.782 -3.472 1.00 0.00 C ATOM 327 CG ASN A 23 -14.602 -11.081 -4.270 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.777 -11.901 -3.867 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.453 -10.416 -5.410 1.00 0.00 N ATOM 0 H ASN A 23 -17.546 -10.406 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.951 -11.738 -1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -16.648 -11.465 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -16.198 -9.773 -3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.629 -10.576 -5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.162 -9.745 -5.706 1.00 0.00 H new ATOM 336 N SER A 24 -14.344 -9.737 -0.272 1.00 0.00 N ATOM 337 CA SER A 24 -13.696 -8.589 0.352 1.00 0.00 C ATOM 338 C SER A 24 -12.189 -8.806 0.455 1.00 0.00 C ATOM 339 O SER A 24 -11.725 -9.919 0.706 1.00 0.00 O ATOM 340 CB SER A 24 -14.282 -8.338 1.742 1.00 0.00 C ATOM 341 OG SER A 24 -13.599 -7.286 2.402 1.00 0.00 O ATOM 0 H SER A 24 -14.251 -10.609 0.250 1.00 0.00 H new ATOM 0 HA SER A 24 -13.879 -7.716 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.340 -8.090 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.216 -9.248 2.338 1.00 0.00 H new ATOM 0 HG SER A 24 -13.994 -7.144 3.288 1.00 0.00 H new ATOM 347 N THR A 25 -11.428 -7.733 0.258 1.00 0.00 N ATOM 348 CA THR A 25 -9.974 -7.805 0.327 1.00 0.00 C ATOM 349 C THR A 25 -9.406 -6.654 1.149 1.00 0.00 C ATOM 350 O THR A 25 -9.893 -5.525 1.075 1.00 0.00 O ATOM 351 CB THR A 25 -9.343 -7.778 -1.078 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.945 -6.744 -1.866 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.517 -9.119 -1.775 1.00 0.00 C ATOM 0 H THR A 25 -11.795 -6.804 0.050 1.00 0.00 H new ATOM 0 HA THR A 25 -9.726 -8.750 0.810 1.00 0.00 H new ATOM 0 HB THR A 25 -8.277 -7.578 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.537 -6.732 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.064 -9.076 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.033 -9.900 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.579 -9.344 -1.872 1.00 0.00 H new ATOM 361 N TYR A 26 -8.372 -6.945 1.930 1.00 0.00 N ATOM 362 CA TYR A 26 -7.738 -5.934 2.768 1.00 0.00 C ATOM 363 C TYR A 26 -6.550 -5.299 2.051 1.00 0.00 C ATOM 364 O TYR A 26 -5.642 -5.995 1.596 1.00 0.00 O ATOM 365 CB TYR A 26 -7.279 -6.551 4.090 1.00 0.00 C ATOM 366 CG TYR A 26 -8.414 -6.862 5.039 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.513 -7.602 4.621 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.387 -6.415 6.355 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.552 -7.887 5.485 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.422 -6.697 7.226 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.502 -7.433 6.786 1.00 0.00 C ATOM 372 OH TYR A 26 -11.535 -7.716 7.650 1.00 0.00 O ATOM 0 H TYR A 26 -7.955 -7.873 2.000 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.474 -5.156 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.729 -7.469 3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.585 -5.867 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.556 -7.960 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.543 -5.838 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.400 -8.463 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.385 -6.343 8.246 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.172 -8.073 8.488 1.00 0.00 H new ATOM 382 N GLN A 27 -6.565 -3.973 1.954 1.00 0.00 N ATOM 383 CA GLN A 27 -5.490 -3.244 1.293 1.00 0.00 C ATOM 384 C GLN A 27 -4.447 -2.777 2.302 1.00 0.00 C ATOM 385 O GLN A 27 -4.571 -1.700 2.886 1.00 0.00 O ATOM 386 CB GLN A 27 -6.054 -2.042 0.532 1.00 0.00 C ATOM 387 CG GLN A 27 -4.984 -1.099 0.005 1.00 0.00 C ATOM 388 CD GLN A 27 -4.442 -1.526 -1.345 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.006 -1.192 -2.387 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.342 -2.270 -1.334 1.00 0.00 N ATOM 0 H GLN A 27 -7.310 -3.383 2.325 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.008 -3.920 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.654 -2.401 -0.304 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.723 -1.487 1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.399 -0.094 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.164 -1.049 0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.907 -2.524 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.932 -2.588 -2.212 1.00 0.00 H new ATOM 399 N CYS A 28 -3.419 -3.595 2.505 1.00 0.00 N ATOM 400 CA CYS A 28 -2.354 -3.268 3.445 1.00 0.00 C ATOM 401 C CYS A 28 -1.886 -1.828 3.256 1.00 0.00 C ATOM 402 O CYS A 28 -1.398 -1.456 2.189 1.00 0.00 O ATOM 403 CB CYS A 28 -1.176 -4.226 3.266 1.00 0.00 C ATOM 404 SG CYS A 28 -0.030 -4.268 4.682 1.00 0.00 S ATOM 0 H CYS A 28 -3.301 -4.490 2.030 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.749 -3.374 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.562 -5.231 3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.622 -3.940 2.372 1.00 0.00 H new ATOM 409 N LYS A 29 -2.039 -1.020 4.300 1.00 0.00 N ATOM 410 CA LYS A 29 -1.631 0.379 4.252 1.00 0.00 C ATOM 411 C LYS A 29 -0.145 0.524 4.567 1.00 0.00 C ATOM 412 O LYS A 29 0.285 1.532 5.127 1.00 0.00 O ATOM 413 CB LYS A 29 -2.456 1.206 5.241 1.00 0.00 C ATOM 414 CG LYS A 29 -2.341 0.728 6.678 1.00 0.00 C ATOM 415 CD LYS A 29 -1.211 1.431 7.411 1.00 0.00 C ATOM 416 CE LYS A 29 -1.409 1.384 8.918 1.00 0.00 C ATOM 417 NZ LYS A 29 -1.337 -0.008 9.444 1.00 0.00 N ATOM 0 H LYS A 29 -2.443 -1.311 5.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.808 0.749 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.137 2.247 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.503 1.178 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.281 0.909 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.171 -0.349 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.261 0.962 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.153 2.469 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.648 1.995 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.376 1.818 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.477 0.003 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.079 -0.586 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.405 -0.414 9.225 1.00 0.00 H new ATOM 431 N HIS A 30 0.634 -0.489 4.202 1.00 0.00 N ATOM 432 CA HIS A 30 2.072 -0.473 4.444 1.00 0.00 C ATOM 433 C HIS A 30 2.842 -0.787 3.164 1.00 0.00 C ATOM 434 O HIS A 30 3.857 -0.156 2.867 1.00 0.00 O ATOM 435 CB HIS A 30 2.439 -1.482 5.533 1.00 0.00 C ATOM 436 CG HIS A 30 2.427 -0.902 6.914 1.00 0.00 C ATOM 437 ND1 HIS A 30 1.943 0.358 7.197 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.843 -1.418 8.094 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.062 0.592 8.492 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.605 -0.470 9.059 1.00 0.00 N ATOM 0 H HIS A 30 0.294 -1.331 3.738 1.00 0.00 H new ATOM 0 HA HIS A 30 2.348 0.527 4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.741 -2.318 5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.430 -1.884 5.325 1.00 0.00 H new ATOM 0 HD1 HIS A 30 1.554 1.008 6.514 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.281 -2.393 8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.766 1.498 9.000 1.00 0.00 H new ATOM 448 N CYS A 31 2.352 -1.765 2.410 1.00 0.00 N ATOM 449 CA CYS A 31 2.994 -2.164 1.163 1.00 0.00 C ATOM 450 C CYS A 31 2.020 -2.060 -0.007 1.00 0.00 C ATOM 451 O CYS A 31 2.416 -2.160 -1.169 1.00 0.00 O ATOM 452 CB CYS A 31 3.525 -3.595 1.273 1.00 0.00 C ATOM 453 SG CYS A 31 2.240 -4.840 1.618 1.00 0.00 S ATOM 0 H CYS A 31 1.512 -2.296 2.641 1.00 0.00 H new ATOM 0 HA CYS A 31 3.829 -1.487 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.029 -3.857 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.275 -3.633 2.063 1.00 0.00 H new ATOM 458 N ASP A 32 0.746 -1.857 0.307 1.00 0.00 N ATOM 459 CA ASP A 32 -0.285 -1.737 -0.717 1.00 0.00 C ATOM 460 C ASP A 32 -0.615 -3.100 -1.318 1.00 0.00 C ATOM 461 O ASP A 32 -0.772 -3.233 -2.532 1.00 0.00 O ATOM 462 CB ASP A 32 0.169 -0.777 -1.818 1.00 0.00 C ATOM 463 CG ASP A 32 -0.987 -0.274 -2.661 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.572 0.768 -2.302 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.306 -0.924 -3.679 1.00 0.00 O ATOM 0 H ASP A 32 0.402 -1.772 1.263 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.185 -1.339 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.682 0.072 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.891 -1.281 -2.460 1.00 0.00 H new ATOM 470 N SER A 33 -0.718 -4.110 -0.460 1.00 0.00 N ATOM 471 CA SER A 33 -1.025 -5.464 -0.906 1.00 0.00 C ATOM 472 C SER A 33 -2.515 -5.759 -0.764 1.00 0.00 C ATOM 473 O SER A 33 -3.301 -4.883 -0.402 1.00 0.00 O ATOM 474 CB SER A 33 -0.213 -6.484 -0.105 1.00 0.00 C ATOM 475 OG SER A 33 -0.398 -7.794 -0.612 1.00 0.00 O ATOM 0 H SER A 33 -0.593 -4.016 0.548 1.00 0.00 H new ATOM 0 HA SER A 33 -0.756 -5.542 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.844 -6.222 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.513 -6.450 0.942 1.00 0.00 H new ATOM 0 HG SER A 33 0.133 -8.427 -0.084 1.00 0.00 H new ATOM 481 N LYS A 34 -2.896 -6.998 -1.052 1.00 0.00 N ATOM 482 CA LYS A 34 -4.291 -7.412 -0.956 1.00 0.00 C ATOM 483 C LYS A 34 -4.412 -8.757 -0.247 1.00 0.00 C ATOM 484 O LYS A 34 -3.865 -9.762 -0.703 1.00 0.00 O ATOM 485 CB LYS A 34 -4.916 -7.500 -2.350 1.00 0.00 C ATOM 486 CG LYS A 34 -5.385 -6.162 -2.892 1.00 0.00 C ATOM 487 CD LYS A 34 -6.226 -6.332 -4.146 1.00 0.00 C ATOM 488 CE LYS A 34 -5.362 -6.370 -5.397 1.00 0.00 C ATOM 489 NZ LYS A 34 -4.645 -5.083 -5.615 1.00 0.00 N ATOM 0 H LYS A 34 -2.258 -7.734 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.826 -6.664 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.187 -7.926 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.763 -8.186 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.967 -5.644 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.521 -5.536 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.805 -7.253 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.940 -5.512 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.637 -7.180 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.986 -6.589 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.425 -4.975 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.247 -4.293 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.762 -5.080 -5.066 1.00 0.00 H new ATOM 503 N LEU A 35 -5.133 -8.770 0.869 1.00 0.00 N ATOM 504 CA LEU A 35 -5.327 -9.993 1.641 1.00 0.00 C ATOM 505 C LEU A 35 -6.800 -10.390 1.670 1.00 0.00 C ATOM 506 O LEU A 35 -7.678 -9.570 1.404 1.00 0.00 O ATOM 507 CB LEU A 35 -4.809 -9.807 3.068 1.00 0.00 C ATOM 508 CG LEU A 35 -3.297 -9.943 3.256 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.554 -9.066 2.259 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.903 -9.585 4.681 1.00 0.00 C ATOM 0 H LEU A 35 -5.593 -7.948 1.260 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.763 -10.791 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.111 -8.820 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.302 -10.537 3.710 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.019 -10.981 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.480 -9.176 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.813 -9.369 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.837 -8.024 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.824 -9.687 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.195 -8.556 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.408 -10.255 5.377 1.00 0.00 H new ATOM 522 N GLN A 36 -7.061 -11.651 1.998 1.00 0.00 N ATOM 523 CA GLN A 36 -8.427 -12.155 2.064 1.00 0.00 C ATOM 524 C GLN A 36 -9.175 -11.549 3.246 1.00 0.00 C ATOM 525 O GLN A 36 -10.191 -10.877 3.072 1.00 0.00 O ATOM 526 CB GLN A 36 -8.425 -13.681 2.174 1.00 0.00 C ATOM 527 CG GLN A 36 -9.649 -14.337 1.556 1.00 0.00 C ATOM 528 CD GLN A 36 -10.788 -14.495 2.543 1.00 0.00 C ATOM 529 OE1 GLN A 36 -10.664 -15.200 3.545 1.00 0.00 O ATOM 530 NE2 GLN A 36 -11.908 -13.838 2.265 1.00 0.00 N ATOM 0 H GLN A 36 -6.345 -12.342 2.222 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.939 -11.864 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.530 -14.071 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.365 -13.961 3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.988 -13.740 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.373 -15.317 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.968 -13.265 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.709 -13.907 2.893 1.00 0.00 H new ATOM 539 N SER A 37 -8.665 -11.792 4.450 1.00 0.00 N ATOM 540 CA SER A 37 -9.288 -11.273 5.662 1.00 0.00 C ATOM 541 C SER A 37 -8.240 -11.003 6.738 1.00 0.00 C ATOM 542 O SER A 37 -7.055 -11.285 6.553 1.00 0.00 O ATOM 543 CB SER A 37 -10.331 -12.261 6.188 1.00 0.00 C ATOM 544 OG SER A 37 -11.468 -12.299 5.342 1.00 0.00 O ATOM 0 H SER A 37 -7.823 -12.344 4.612 1.00 0.00 H new ATOM 0 HA SER A 37 -9.781 -10.333 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.892 -13.256 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.633 -11.975 7.196 1.00 0.00 H new ATOM 0 HG SER A 37 -12.119 -12.939 5.698 1.00 0.00 H new ATOM 550 N THR A 38 -8.684 -10.453 7.864 1.00 0.00 N ATOM 551 CA THR A 38 -7.787 -10.143 8.969 1.00 0.00 C ATOM 552 C THR A 38 -6.850 -11.310 9.261 1.00 0.00 C ATOM 553 O THR A 38 -5.633 -11.138 9.331 1.00 0.00 O ATOM 554 CB THR A 38 -8.571 -9.797 10.249 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.522 -8.763 9.976 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.629 -9.348 11.356 1.00 0.00 C ATOM 0 H THR A 38 -9.661 -10.213 8.034 1.00 0.00 H new ATOM 0 HA THR A 38 -7.200 -9.276 8.665 1.00 0.00 H new ATOM 0 HB THR A 38 -9.095 -10.693 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.283 -8.312 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.205 -9.109 12.250 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.925 -10.149 11.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.081 -8.464 11.031 1.00 0.00 H new ATOM 564 N ALA A 39 -7.424 -12.496 9.429 1.00 0.00 N ATOM 565 CA ALA A 39 -6.639 -13.692 9.710 1.00 0.00 C ATOM 566 C ALA A 39 -5.315 -13.670 8.954 1.00 0.00 C ATOM 567 O ALA A 39 -4.281 -14.075 9.484 1.00 0.00 O ATOM 568 CB ALA A 39 -7.432 -14.940 9.352 1.00 0.00 C ATOM 0 H ALA A 39 -8.430 -12.655 9.375 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.418 -13.709 10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.834 -15.825 9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.349 -14.970 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.682 -14.920 8.291 1.00 0.00 H new ATOM 574 N GLU A 40 -5.355 -13.195 7.713 1.00 0.00 N ATOM 575 CA GLU A 40 -4.158 -13.122 6.884 1.00 0.00 C ATOM 576 C GLU A 40 -3.331 -11.886 7.229 1.00 0.00 C ATOM 577 O GLU A 40 -2.101 -11.932 7.244 1.00 0.00 O ATOM 578 CB GLU A 40 -4.536 -13.098 5.402 1.00 0.00 C ATOM 579 CG GLU A 40 -4.836 -14.472 4.828 1.00 0.00 C ATOM 580 CD GLU A 40 -6.104 -15.079 5.396 1.00 0.00 C ATOM 581 OE1 GLU A 40 -6.988 -14.308 5.825 1.00 0.00 O ATOM 582 OE2 GLU A 40 -6.212 -16.323 5.413 1.00 0.00 O ATOM 0 H GLU A 40 -6.203 -12.855 7.260 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.556 -14.009 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.409 -12.459 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.722 -12.647 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.928 -14.397 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.997 -15.137 5.031 1.00 0.00 H new ATOM 589 N LEU A 41 -4.017 -10.782 7.506 1.00 0.00 N ATOM 590 CA LEU A 41 -3.348 -9.533 7.851 1.00 0.00 C ATOM 591 C LEU A 41 -2.534 -9.686 9.132 1.00 0.00 C ATOM 592 O LEU A 41 -1.381 -9.261 9.203 1.00 0.00 O ATOM 593 CB LEU A 41 -4.374 -8.411 8.016 1.00 0.00 C ATOM 594 CG LEU A 41 -3.850 -6.987 7.821 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.461 -6.756 6.369 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.891 -5.970 8.265 1.00 0.00 C ATOM 0 H LEU A 41 -5.035 -10.727 7.498 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.667 -9.278 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.184 -8.579 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.805 -8.484 9.014 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.961 -6.860 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.091 -5.738 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.681 -7.462 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.333 -6.902 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.501 -4.963 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.798 -6.097 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.120 -6.121 9.320 1.00 0.00 H new ATOM 608 N THR A 42 -3.143 -10.298 10.144 1.00 0.00 N ATOM 609 CA THR A 42 -2.475 -10.509 11.422 1.00 0.00 C ATOM 610 C THR A 42 -1.101 -11.139 11.227 1.00 0.00 C ATOM 611 O THR A 42 -0.163 -10.849 11.970 1.00 0.00 O ATOM 612 CB THR A 42 -3.313 -11.408 12.351 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.629 -10.865 12.502 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.654 -11.538 13.716 1.00 0.00 C ATOM 0 H THR A 42 -4.097 -10.656 10.103 1.00 0.00 H new ATOM 0 HA THR A 42 -2.359 -9.529 11.884 1.00 0.00 H new ATOM 0 HB THR A 42 -3.378 -12.398 11.900 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.156 -11.443 13.092 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.263 -12.177 14.355 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.663 -11.978 13.601 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.562 -10.552 14.171 1.00 0.00 H new ATOM 622 N SER A 43 -0.988 -12.003 10.224 1.00 0.00 N ATOM 623 CA SER A 43 0.272 -12.678 9.933 1.00 0.00 C ATOM 624 C SER A 43 1.128 -11.844 8.984 1.00 0.00 C ATOM 625 O SER A 43 2.333 -11.695 9.186 1.00 0.00 O ATOM 626 CB SER A 43 0.009 -14.056 9.324 1.00 0.00 C ATOM 627 OG SER A 43 1.183 -14.849 9.330 1.00 0.00 O ATOM 0 H SER A 43 -1.754 -12.253 9.598 1.00 0.00 H new ATOM 0 HA SER A 43 0.814 -12.802 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.777 -14.561 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.352 -13.942 8.302 1.00 0.00 H new ATOM 0 HG SER A 43 0.988 -15.725 8.937 1.00 0.00 H new ATOM 633 N HIS A 44 0.495 -11.303 7.948 1.00 0.00 N ATOM 634 CA HIS A 44 1.198 -10.484 6.967 1.00 0.00 C ATOM 635 C HIS A 44 1.924 -9.326 7.645 1.00 0.00 C ATOM 636 O HIS A 44 3.133 -9.155 7.479 1.00 0.00 O ATOM 637 CB HIS A 44 0.217 -9.945 5.925 1.00 0.00 C ATOM 638 CG HIS A 44 0.875 -9.157 4.834 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.444 -9.741 3.722 1.00 0.00 N ATOM 640 CD2 HIS A 44 1.050 -7.823 4.688 1.00 0.00 C ATOM 641 CE1 HIS A 44 1.943 -8.800 2.940 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.716 -7.627 3.503 1.00 0.00 N ATOM 0 H HIS A 44 -0.502 -11.417 7.766 1.00 0.00 H new ATOM 0 HA HIS A 44 1.937 -11.112 6.470 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.325 -10.780 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.520 -9.315 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.726 -7.055 5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.450 -8.962 2.000 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.991 -6.722 3.120 1.00 0.00 H new ATOM 650 N LEU A 45 1.180 -8.534 8.410 1.00 0.00 N ATOM 651 CA LEU A 45 1.753 -7.392 9.113 1.00 0.00 C ATOM 652 C LEU A 45 2.970 -7.811 9.932 1.00 0.00 C ATOM 653 O LEU A 45 4.029 -7.190 9.850 1.00 0.00 O ATOM 654 CB LEU A 45 0.706 -6.753 10.027 1.00 0.00 C ATOM 655 CG LEU A 45 -0.233 -5.742 9.367 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.358 -5.360 10.317 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.539 -4.507 8.927 1.00 0.00 C ATOM 0 H LEU A 45 0.179 -8.662 8.559 1.00 0.00 H new ATOM 0 HA LEU A 45 2.072 -6.662 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.102 -7.547 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.224 -6.256 10.848 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.673 -6.205 8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.016 -4.640 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.928 -6.250 10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.937 -4.915 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.144 -3.798 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.007 -4.042 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.309 -4.795 8.211 1.00 0.00 H new ATOM 669 N ASN A 46 2.812 -8.870 10.719 1.00 0.00 N ATOM 670 CA ASN A 46 3.898 -9.374 11.551 1.00 0.00 C ATOM 671 C ASN A 46 5.223 -9.341 10.795 1.00 0.00 C ATOM 672 O ASN A 46 6.263 -9.001 11.359 1.00 0.00 O ATOM 673 CB ASN A 46 3.596 -10.802 12.012 1.00 0.00 C ATOM 674 CG ASN A 46 2.757 -10.836 13.274 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.774 -9.898 14.070 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.016 -11.923 13.462 1.00 0.00 N ATOM 0 H ASN A 46 1.942 -9.396 10.798 1.00 0.00 H new ATOM 0 HA ASN A 46 3.982 -8.728 12.425 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.074 -11.335 11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.533 -11.330 12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.430 -12.003 14.293 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.033 -12.677 12.775 1.00 0.00 H new ATOM 683 N ILE A 47 5.176 -9.697 9.515 1.00 0.00 N ATOM 684 CA ILE A 47 6.371 -9.707 8.682 1.00 0.00 C ATOM 685 C ILE A 47 7.057 -8.345 8.688 1.00 0.00 C ATOM 686 O ILE A 47 8.256 -8.242 8.950 1.00 0.00 O ATOM 687 CB ILE A 47 6.041 -10.096 7.228 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.380 -11.475 7.184 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.302 -10.079 6.376 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.522 -11.694 5.958 1.00 0.00 C ATOM 0 H ILE A 47 4.323 -9.982 9.033 1.00 0.00 H new ATOM 0 HA ILE A 47 7.044 -10.452 9.105 1.00 0.00 H new ATOM 0 HB ILE A 47 5.342 -9.366 6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.154 -12.241 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.766 -11.603 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.053 -10.356 5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.735 -9.079 6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.023 -10.790 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.085 -12.692 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.726 -10.950 5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.136 -11.598 5.062 1.00 0.00 H new ATOM 702 N HIS A 48 6.288 -7.300 8.400 1.00 0.00 N ATOM 703 CA HIS A 48 6.821 -5.942 8.374 1.00 0.00 C ATOM 704 C HIS A 48 7.632 -5.653 9.634 1.00 0.00 C ATOM 705 O HIS A 48 8.846 -5.465 9.572 1.00 0.00 O ATOM 706 CB HIS A 48 5.684 -4.928 8.242 1.00 0.00 C ATOM 707 CG HIS A 48 5.081 -4.879 6.872 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.774 -5.227 5.732 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.841 -4.522 6.463 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.988 -5.084 4.681 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.809 -4.658 5.097 1.00 0.00 N ATOM 0 H HIS A 48 5.294 -7.367 8.181 1.00 0.00 H new ATOM 0 HA HIS A 48 7.480 -5.853 7.510 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.905 -5.172 8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.059 -3.938 8.500 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.743 -5.545 5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.029 -4.192 7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.262 -5.282 3.655 1.00 0.00 H new ATOM 719 N ASN A 49 6.952 -5.620 10.775 1.00 0.00 N ATOM 720 CA ASN A 49 7.610 -5.353 12.049 1.00 0.00 C ATOM 721 C ASN A 49 8.808 -6.277 12.247 1.00 0.00 C ATOM 722 O ASN A 49 9.922 -5.819 12.501 1.00 0.00 O ATOM 723 CB ASN A 49 6.621 -5.527 13.204 1.00 0.00 C ATOM 724 CG ASN A 49 5.714 -6.727 13.012 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.948 -6.793 12.050 1.00 0.00 O ATOM 726 ND2 ASN A 49 5.796 -7.684 13.930 1.00 0.00 N ATOM 0 H ASN A 49 5.946 -5.775 10.844 1.00 0.00 H new ATOM 0 HA ASN A 49 7.966 -4.323 12.037 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.173 -5.637 14.138 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.013 -4.627 13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.210 -8.515 13.854 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.445 -7.587 14.711 1.00 0.00 H new ATOM 733 N GLU A 50 8.570 -7.580 12.129 1.00 0.00 N ATOM 734 CA GLU A 50 9.630 -8.567 12.295 1.00 0.00 C ATOM 735 C GLU A 50 10.893 -8.141 11.552 1.00 0.00 C ATOM 736 O GLU A 50 12.001 -8.265 12.071 1.00 0.00 O ATOM 737 CB GLU A 50 9.166 -9.935 11.791 1.00 0.00 C ATOM 738 CG GLU A 50 8.345 -10.712 12.807 1.00 0.00 C ATOM 739 CD GLU A 50 9.088 -10.934 14.110 1.00 0.00 C ATOM 740 OE1 GLU A 50 9.804 -11.951 14.220 1.00 0.00 O ATOM 741 OE2 GLU A 50 8.953 -10.089 15.020 1.00 0.00 O ATOM 0 H GLU A 50 7.654 -7.976 11.919 1.00 0.00 H new ATOM 0 HA GLU A 50 9.862 -8.638 13.358 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.574 -9.798 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.039 -10.526 11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.419 -10.174 13.008 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.067 -11.677 12.383 1.00 0.00 H new ATOM 748 N GLU A 51 10.714 -7.638 10.334 1.00 0.00 N ATOM 749 CA GLU A 51 11.839 -7.195 9.520 1.00 0.00 C ATOM 750 C GLU A 51 12.362 -5.845 10.002 1.00 0.00 C ATOM 751 O GLU A 51 13.571 -5.626 10.080 1.00 0.00 O ATOM 752 CB GLU A 51 11.426 -7.098 8.049 1.00 0.00 C ATOM 753 CG GLU A 51 11.477 -8.427 7.314 1.00 0.00 C ATOM 754 CD GLU A 51 12.890 -8.840 6.952 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.777 -8.754 7.826 1.00 0.00 O ATOM 756 OE2 GLU A 51 13.108 -9.249 5.792 1.00 0.00 O ATOM 0 H GLU A 51 9.802 -7.528 9.891 1.00 0.00 H new ATOM 0 HA GLU A 51 12.637 -7.931 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.414 -6.698 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.079 -6.387 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.025 -9.199 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.879 -8.359 6.406 1.00 0.00 H new ATOM 763 N PHE A 52 11.442 -4.942 10.325 1.00 0.00 N ATOM 764 CA PHE A 52 11.808 -3.612 10.799 1.00 0.00 C ATOM 765 C PHE A 52 12.778 -3.701 11.973 1.00 0.00 C ATOM 766 O PHE A 52 13.813 -3.035 11.988 1.00 0.00 O ATOM 767 CB PHE A 52 10.558 -2.833 11.213 1.00 0.00 C ATOM 768 CG PHE A 52 10.851 -1.436 11.680 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.027 -0.408 10.767 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.950 -1.150 13.032 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.295 0.879 11.194 1.00 0.00 C ATOM 772 CE2 PHE A 52 11.218 0.135 13.465 1.00 0.00 C ATOM 773 CZ PHE A 52 11.392 1.151 12.544 1.00 0.00 C ATOM 0 H PHE A 52 10.437 -5.107 10.267 1.00 0.00 H new ATOM 0 HA PHE A 52 12.302 -3.085 9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.871 -2.789 10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.049 -3.375 12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.954 -0.615 9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.816 -1.940 13.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.428 1.671 10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.291 0.345 14.522 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.603 2.155 12.880 1.00 0.00 H new ATOM 783 N GLN A 53 12.435 -4.528 12.955 1.00 0.00 N ATOM 784 CA GLN A 53 13.274 -4.704 14.134 1.00 0.00 C ATOM 785 C GLN A 53 14.747 -4.789 13.746 1.00 0.00 C ATOM 786 O GLN A 53 15.600 -4.148 14.361 1.00 0.00 O ATOM 787 CB GLN A 53 12.862 -5.964 14.897 1.00 0.00 C ATOM 788 CG GLN A 53 11.447 -5.904 15.450 1.00 0.00 C ATOM 789 CD GLN A 53 11.362 -5.139 16.757 1.00 0.00 C ATOM 790 OE1 GLN A 53 12.040 -4.128 16.942 1.00 0.00 O ATOM 791 NE2 GLN A 53 10.528 -5.619 17.671 1.00 0.00 N ATOM 0 H GLN A 53 11.582 -5.087 12.957 1.00 0.00 H new ATOM 0 HA GLN A 53 13.136 -3.836 14.779 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.948 -6.825 14.234 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.558 -6.125 15.720 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.794 -5.434 14.715 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.077 -6.918 15.602 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.985 -6.460 17.475 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.430 -5.147 18.570 1.00 0.00 H new ATOM 800 N LYS A 54 15.038 -5.585 12.723 1.00 0.00 N ATOM 801 CA LYS A 54 16.408 -5.754 12.252 1.00 0.00 C ATOM 802 C LYS A 54 16.989 -4.426 11.778 1.00 0.00 C ATOM 803 O LYS A 54 18.075 -4.028 12.198 1.00 0.00 O ATOM 804 CB LYS A 54 16.454 -6.778 11.115 1.00 0.00 C ATOM 805 CG LYS A 54 16.189 -8.203 11.568 1.00 0.00 C ATOM 806 CD LYS A 54 16.886 -9.212 10.670 1.00 0.00 C ATOM 807 CE LYS A 54 18.353 -9.367 11.040 1.00 0.00 C ATOM 808 NZ LYS A 54 18.976 -10.536 10.359 1.00 0.00 N ATOM 0 H LYS A 54 14.344 -6.123 12.204 1.00 0.00 H new ATOM 0 HA LYS A 54 17.010 -6.116 13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.718 -6.503 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.433 -6.734 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.533 -8.329 12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.116 -8.393 11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.386 -10.177 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.803 -8.894 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.893 -8.459 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.445 -9.484 12.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 19.976 -10.608 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.477 -11.405 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.911 -10.412 9.328 1.00 0.00 H new ATOM 822 N ARG A 55 16.257 -3.744 10.903 1.00 0.00 N ATOM 823 CA ARG A 55 16.700 -2.460 10.373 1.00 0.00 C ATOM 824 C ARG A 55 16.828 -1.426 11.488 1.00 0.00 C ATOM 825 O ARG A 55 17.922 -0.945 11.779 1.00 0.00 O ATOM 826 CB ARG A 55 15.723 -1.959 9.308 1.00 0.00 C ATOM 827 CG ARG A 55 16.068 -2.419 7.900 1.00 0.00 C ATOM 828 CD ARG A 55 15.801 -3.905 7.718 1.00 0.00 C ATOM 829 NE ARG A 55 16.569 -4.467 6.611 1.00 0.00 N ATOM 830 CZ ARG A 55 16.190 -4.390 5.340 1.00 0.00 C ATOM 831 NH1 ARG A 55 15.059 -3.777 5.018 1.00 0.00 N ATOM 832 NH2 ARG A 55 16.943 -4.926 4.388 1.00 0.00 N ATOM 0 H ARG A 55 15.355 -4.059 10.546 1.00 0.00 H new ATOM 0 HA ARG A 55 17.681 -2.602 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.719 -2.303 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.702 -0.869 9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.482 -1.852 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.118 -2.209 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.051 -4.434 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.738 -4.063 7.539 1.00 0.00 H new ATOM 0 HE ARG A 55 17.444 -4.945 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.478 -3.363 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.770 -3.719 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.814 -5.398 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.651 -4.866 3.413 1.00 0.00 H new ATOM 846 N ALA A 56 15.701 -1.090 12.107 1.00 0.00 N ATOM 847 CA ALA A 56 15.687 -0.115 13.191 1.00 0.00 C ATOM 848 C ALA A 56 16.577 1.079 12.866 1.00 0.00 C ATOM 849 O ALA A 56 17.314 1.569 13.722 1.00 0.00 O ATOM 850 CB ALA A 56 16.129 -0.767 14.493 1.00 0.00 C ATOM 0 H ALA A 56 14.786 -1.478 11.877 1.00 0.00 H new ATOM 0 HA ALA A 56 14.666 0.248 13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.114 -0.028 15.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.450 -1.583 14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.140 -1.158 14.379 1.00 0.00 H new ATOM 856 N LYS A 57 16.504 1.545 11.624 1.00 0.00 N ATOM 857 CA LYS A 57 17.302 2.684 11.185 1.00 0.00 C ATOM 858 C LYS A 57 17.243 3.816 12.205 1.00 0.00 C ATOM 859 O LYS A 57 16.256 3.962 12.927 1.00 0.00 O ATOM 860 CB LYS A 57 16.811 3.183 9.824 1.00 0.00 C ATOM 861 CG LYS A 57 17.478 2.494 8.647 1.00 0.00 C ATOM 862 CD LYS A 57 17.588 3.420 7.447 1.00 0.00 C ATOM 863 CE LYS A 57 18.897 4.195 7.460 1.00 0.00 C ATOM 864 NZ LYS A 57 19.227 4.748 6.117 1.00 0.00 N ATOM 0 H LYS A 57 15.900 1.151 10.903 1.00 0.00 H new ATOM 0 HA LYS A 57 18.337 2.356 11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 57 15.733 3.033 9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.989 4.256 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.472 2.155 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.907 1.607 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 57 17.518 2.837 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.751 4.118 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.830 5.009 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.703 3.541 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.126 5.269 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 19.316 3.969 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 18.470 5.392 5.811 1.00 0.00 H new ATOM 878 N ARG A 58 18.304 4.614 12.259 1.00 0.00 N ATOM 879 CA ARG A 58 18.371 5.733 13.191 1.00 0.00 C ATOM 880 C ARG A 58 17.234 6.719 12.941 1.00 0.00 C ATOM 881 O ARG A 58 16.576 7.172 13.877 1.00 0.00 O ATOM 882 CB ARG A 58 19.717 6.449 13.065 1.00 0.00 C ATOM 883 CG ARG A 58 20.898 5.613 13.532 1.00 0.00 C ATOM 884 CD ARG A 58 22.200 6.091 12.907 1.00 0.00 C ATOM 885 NE ARG A 58 22.258 5.804 11.476 1.00 0.00 N ATOM 886 CZ ARG A 58 23.391 5.742 10.785 1.00 0.00 C ATOM 887 NH1 ARG A 58 24.553 5.946 11.390 1.00 0.00 N ATOM 888 NH2 ARG A 58 23.362 5.476 9.485 1.00 0.00 N ATOM 0 H ARG A 58 19.129 4.507 11.669 1.00 0.00 H new ATOM 0 HA ARG A 58 18.270 5.337 14.202 1.00 0.00 H new ATOM 0 HB2 ARG A 58 19.872 6.732 12.024 1.00 0.00 H new ATOM 0 HB3 ARG A 58 19.684 7.371 13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 58 20.974 5.664 14.618 1.00 0.00 H new ATOM 0 HG3 ARG A 58 20.731 4.568 13.273 1.00 0.00 H new ATOM 0 HD2 ARG A 58 22.306 7.164 13.066 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.040 5.610 13.408 1.00 0.00 H new ATOM 0 HE ARG A 58 21.381 5.642 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.579 6.151 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 58 25.421 5.898 10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.470 5.319 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 58 24.232 5.428 8.955 1.00 0.00 H new ATOM 902 N GLN A 59 17.008 7.045 11.672 1.00 0.00 N ATOM 903 CA GLN A 59 15.951 7.977 11.300 1.00 0.00 C ATOM 904 C GLN A 59 14.626 7.247 11.102 1.00 0.00 C ATOM 905 O GLN A 59 14.541 6.299 10.323 1.00 0.00 O ATOM 906 CB GLN A 59 16.330 8.727 10.022 1.00 0.00 C ATOM 907 CG GLN A 59 17.309 9.866 10.252 1.00 0.00 C ATOM 908 CD GLN A 59 17.476 10.748 9.030 1.00 0.00 C ATOM 909 OE1 GLN A 59 16.649 10.729 8.119 1.00 0.00 O ATOM 910 NE2 GLN A 59 18.550 11.529 9.006 1.00 0.00 N ATOM 0 H GLN A 59 17.543 6.677 10.885 1.00 0.00 H new ATOM 0 HA GLN A 59 15.831 8.694 12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 59 16.765 8.023 9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.425 9.124 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.964 10.473 11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 59 18.278 9.455 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 59 19.210 11.513 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.715 12.145 8.210 1.00 0.00 H new ATOM 919 N GLU A 60 13.597 7.697 11.813 1.00 0.00 N ATOM 920 CA GLU A 60 12.277 7.085 11.716 1.00 0.00 C ATOM 921 C GLU A 60 11.179 8.127 11.904 1.00 0.00 C ATOM 922 O GLU A 60 11.457 9.312 12.084 1.00 0.00 O ATOM 923 CB GLU A 60 12.127 5.975 12.759 1.00 0.00 C ATOM 924 CG GLU A 60 12.927 4.724 12.437 1.00 0.00 C ATOM 925 CD GLU A 60 12.540 4.111 11.105 1.00 0.00 C ATOM 926 OE1 GLU A 60 11.341 4.153 10.758 1.00 0.00 O ATOM 927 OE2 GLU A 60 13.436 3.588 10.410 1.00 0.00 O ATOM 0 H GLU A 60 13.652 8.482 12.462 1.00 0.00 H new ATOM 0 HA GLU A 60 12.177 6.653 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.441 6.356 13.731 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.073 5.710 12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.989 4.969 12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.779 3.989 13.228 1.00 0.00 H new ATOM 934 N ARG A 61 9.929 7.676 11.861 1.00 0.00 N ATOM 935 CA ARG A 61 8.788 8.569 12.025 1.00 0.00 C ATOM 936 C ARG A 61 8.458 8.762 13.502 1.00 0.00 C ATOM 937 O ARG A 61 8.519 7.819 14.291 1.00 0.00 O ATOM 938 CB ARG A 61 7.569 8.014 11.287 1.00 0.00 C ATOM 939 CG ARG A 61 6.616 9.089 10.791 1.00 0.00 C ATOM 940 CD ARG A 61 5.181 8.586 10.750 1.00 0.00 C ATOM 941 NE ARG A 61 4.964 7.638 9.661 1.00 0.00 N ATOM 942 CZ ARG A 61 3.929 6.808 9.605 1.00 0.00 C ATOM 943 NH1 ARG A 61 3.021 6.809 10.571 1.00 0.00 N ATOM 944 NH2 ARG A 61 3.800 5.974 8.580 1.00 0.00 N ATOM 0 H ARG A 61 9.681 6.698 11.714 1.00 0.00 H new ATOM 0 HA ARG A 61 9.051 9.537 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.908 7.421 10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.029 7.340 11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.679 9.961 11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.918 9.413 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.937 8.109 11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.504 9.432 10.634 1.00 0.00 H new ATOM 0 HE ARG A 61 5.645 7.612 8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.116 7.448 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.227 6.170 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.496 5.970 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.005 5.337 8.538 1.00 0.00 H new ATOM 958 N ARG A 62 8.107 9.991 13.868 1.00 0.00 N ATOM 959 CA ARG A 62 7.768 10.309 15.250 1.00 0.00 C ATOM 960 C ARG A 62 6.257 10.422 15.427 1.00 0.00 C ATOM 961 O ARG A 62 5.526 10.677 14.470 1.00 0.00 O ATOM 962 CB ARG A 62 8.441 11.615 15.675 1.00 0.00 C ATOM 963 CG ARG A 62 8.695 11.711 17.171 1.00 0.00 C ATOM 964 CD ARG A 62 9.942 10.939 17.574 1.00 0.00 C ATOM 965 NE ARG A 62 9.947 10.614 18.998 1.00 0.00 N ATOM 966 CZ ARG A 62 10.852 9.827 19.569 1.00 0.00 C ATOM 967 NH1 ARG A 62 11.819 9.287 18.841 1.00 0.00 N ATOM 968 NH2 ARG A 62 10.790 9.579 20.871 1.00 0.00 N ATOM 0 H ARG A 62 8.050 10.782 13.227 1.00 0.00 H new ATOM 0 HA ARG A 62 8.131 9.499 15.882 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.389 11.714 15.147 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.816 12.453 15.367 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.805 12.757 17.456 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.833 11.322 17.713 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.003 10.019 16.992 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.827 11.528 17.333 1.00 0.00 H new ATOM 0 HE ARG A 62 9.216 11.013 19.586 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.870 9.475 17.840 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.513 8.683 19.282 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.047 9.993 21.434 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.485 8.975 21.309 1.00 0.00 H new ATOM 982 N LYS A 63 5.795 10.230 16.658 1.00 0.00 N ATOM 983 CA LYS A 63 4.371 10.311 16.962 1.00 0.00 C ATOM 984 C LYS A 63 4.146 10.805 18.388 1.00 0.00 C ATOM 985 O LYS A 63 5.037 10.714 19.233 1.00 0.00 O ATOM 986 CB LYS A 63 3.710 8.943 16.776 1.00 0.00 C ATOM 987 CG LYS A 63 4.041 7.952 17.878 1.00 0.00 C ATOM 988 CD LYS A 63 5.102 6.959 17.435 1.00 0.00 C ATOM 989 CE LYS A 63 6.499 7.432 17.806 1.00 0.00 C ATOM 990 NZ LYS A 63 6.556 7.955 19.199 1.00 0.00 N ATOM 0 H LYS A 63 6.386 10.017 17.462 1.00 0.00 H new ATOM 0 HA LYS A 63 3.918 11.024 16.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.629 9.075 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.021 8.526 15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.390 8.490 18.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.138 7.415 18.169 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.910 5.990 17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.040 6.816 16.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.202 6.606 17.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.815 8.211 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.530 7.886 19.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.254 8.950 19.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.924 7.395 19.806 1.00 0.00 H new ATOM 1004 N GLN A 64 2.952 11.327 18.647 1.00 0.00 N ATOM 1005 CA GLN A 64 2.612 11.835 19.971 1.00 0.00 C ATOM 1006 C GLN A 64 1.797 10.811 20.754 1.00 0.00 C ATOM 1007 O GLN A 64 0.954 10.111 20.191 1.00 0.00 O ATOM 1008 CB GLN A 64 1.829 13.144 19.853 1.00 0.00 C ATOM 1009 CG GLN A 64 0.450 12.975 19.236 1.00 0.00 C ATOM 1010 CD GLN A 64 -0.375 14.245 19.294 1.00 0.00 C ATOM 1011 OE1 GLN A 64 0.084 15.275 19.788 1.00 0.00 O ATOM 1012 NE2 GLN A 64 -1.601 14.178 18.789 1.00 0.00 N ATOM 0 H GLN A 64 2.204 11.409 17.958 1.00 0.00 H new ATOM 0 HA GLN A 64 3.541 12.023 20.510 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.723 13.585 20.844 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.403 13.848 19.251 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.557 12.663 18.197 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.081 12.177 19.756 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.941 13.303 18.389 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.203 15.001 18.801 1.00 0.00 H new ATOM 1021 N LEU A 65 2.054 10.728 22.055 1.00 0.00 N ATOM 1022 CA LEU A 65 1.344 9.788 22.916 1.00 0.00 C ATOM 1023 C LEU A 65 0.671 10.515 24.076 1.00 0.00 C ATOM 1024 O LEU A 65 1.268 11.389 24.705 1.00 0.00 O ATOM 1025 CB LEU A 65 2.309 8.730 23.453 1.00 0.00 C ATOM 1026 CG LEU A 65 1.977 8.156 24.831 1.00 0.00 C ATOM 1027 CD1 LEU A 65 0.778 7.225 24.747 1.00 0.00 C ATOM 1028 CD2 LEU A 65 3.181 7.427 25.410 1.00 0.00 C ATOM 0 H LEU A 65 2.748 11.300 22.536 1.00 0.00 H new ATOM 0 HA LEU A 65 0.573 9.299 22.321 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.349 7.907 22.739 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.308 9.165 23.494 1.00 0.00 H new ATOM 0 HG LEU A 65 1.724 8.982 25.495 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.557 6.826 25.737 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.086 7.777 24.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.002 6.403 24.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.926 7.025 26.391 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.466 6.611 24.746 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.015 8.122 25.508 1.00 0.00 H new ATOM 1040 N LEU A 66 -0.574 10.146 24.356 1.00 0.00 N ATOM 1041 CA LEU A 66 -1.328 10.760 25.442 1.00 0.00 C ATOM 1042 C LEU A 66 -1.518 9.781 26.596 1.00 0.00 C ATOM 1043 O LEU A 66 -1.699 8.582 26.383 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.690 11.240 24.937 1.00 0.00 C ATOM 1045 CG LEU A 66 -2.663 12.240 23.780 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -3.979 12.212 23.019 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -2.372 13.642 24.294 1.00 0.00 C ATOM 0 H LEU A 66 -1.083 9.424 23.845 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.760 11.616 25.806 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.267 10.369 24.625 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.225 11.694 25.771 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.865 11.952 23.095 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.941 12.930 22.200 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.146 11.212 22.618 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.795 12.474 23.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.357 14.340 23.457 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.147 13.939 25.000 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.403 13.653 24.793 1.00 0.00 H new ATOM 1059 N SER A 67 -1.475 10.300 27.819 1.00 0.00 N ATOM 1060 CA SER A 67 -1.641 9.471 29.007 1.00 0.00 C ATOM 1061 C SER A 67 -2.884 9.883 29.789 1.00 0.00 C ATOM 1062 O SER A 67 -3.907 9.198 29.759 1.00 0.00 O ATOM 1063 CB SER A 67 -0.404 9.574 29.903 1.00 0.00 C ATOM 1064 OG SER A 67 0.630 8.720 29.444 1.00 0.00 O ATOM 0 H SER A 67 -1.327 11.290 28.013 1.00 0.00 H new ATOM 0 HA SER A 67 -1.763 8.437 28.684 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.048 10.604 29.920 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.670 9.311 30.927 1.00 0.00 H new ATOM 0 HG SER A 67 1.410 8.805 30.032 1.00 0.00 H new ATOM 1070 N LYS A 68 -2.789 11.009 30.489 1.00 0.00 N ATOM 1071 CA LYS A 68 -3.905 11.516 31.278 1.00 0.00 C ATOM 1072 C LYS A 68 -5.162 11.647 30.423 1.00 0.00 C ATOM 1073 O LYS A 68 -5.085 11.970 29.238 1.00 0.00 O ATOM 1074 CB LYS A 68 -3.549 12.872 31.890 1.00 0.00 C ATOM 1075 CG LYS A 68 -3.771 14.042 30.948 1.00 0.00 C ATOM 1076 CD LYS A 68 -2.634 14.177 29.949 1.00 0.00 C ATOM 1077 CE LYS A 68 -3.084 14.897 28.686 1.00 0.00 C ATOM 1078 NZ LYS A 68 -4.026 14.070 27.883 1.00 0.00 N ATOM 0 H LYS A 68 -1.950 11.588 30.526 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.104 10.803 32.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.145 13.023 32.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.504 12.858 32.199 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.712 13.907 30.414 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.861 14.963 31.525 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.809 14.724 30.406 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.256 13.188 29.690 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.565 15.837 28.956 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.213 15.147 28.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.587 13.830 26.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.248 13.196 28.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.902 14.605 27.716 1.00 0.00 H new ATOM 1092 N GLN A 69 -6.316 11.394 31.033 1.00 0.00 N ATOM 1093 CA GLN A 69 -7.588 11.485 30.326 1.00 0.00 C ATOM 1094 C GLN A 69 -8.613 12.260 31.148 1.00 0.00 C ATOM 1095 O GLN A 69 -8.951 13.399 30.824 1.00 0.00 O ATOM 1096 CB GLN A 69 -8.122 10.086 30.011 1.00 0.00 C ATOM 1097 CG GLN A 69 -9.447 10.094 29.267 1.00 0.00 C ATOM 1098 CD GLN A 69 -10.188 8.776 29.381 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -9.792 7.775 28.784 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -11.270 8.769 30.150 1.00 0.00 N ATOM 0 H GLN A 69 -6.396 11.125 32.014 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.418 12.020 29.392 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.383 9.550 29.415 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.241 9.533 30.943 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.075 10.894 29.659 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.267 10.316 28.215 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.562 9.622 30.627 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.809 7.911 30.264 1.00 0.00 H new ATOM 1109 N LYS A 70 -9.105 11.636 32.212 1.00 0.00 N ATOM 1110 CA LYS A 70 -10.091 12.266 33.082 1.00 0.00 C ATOM 1111 C LYS A 70 -9.976 11.737 34.508 1.00 0.00 C ATOM 1112 O LYS A 70 -9.236 10.789 34.771 1.00 0.00 O ATOM 1113 CB LYS A 70 -11.504 12.020 32.548 1.00 0.00 C ATOM 1114 CG LYS A 70 -11.985 13.091 31.584 1.00 0.00 C ATOM 1115 CD LYS A 70 -12.629 14.254 32.320 1.00 0.00 C ATOM 1116 CE LYS A 70 -12.420 15.567 31.580 1.00 0.00 C ATOM 1117 NZ LYS A 70 -12.572 16.742 32.482 1.00 0.00 N ATOM 0 H LYS A 70 -8.837 10.693 32.493 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.895 13.338 33.094 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.530 11.053 32.046 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.196 11.962 33.388 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.144 13.454 30.993 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.702 12.659 30.886 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.696 14.066 32.436 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.208 14.329 33.323 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.426 15.578 31.134 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.137 15.641 30.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.422 17.617 31.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.529 16.746 32.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.871 16.685 33.248 1.00 0.00 H new ATOM 1131 N TYR A 71 -10.713 12.354 35.424 1.00 0.00 N ATOM 1132 CA TYR A 71 -10.693 11.946 36.824 1.00 0.00 C ATOM 1133 C TYR A 71 -12.089 11.550 37.296 1.00 0.00 C ATOM 1134 O TYR A 71 -13.093 12.016 36.759 1.00 0.00 O ATOM 1135 CB TYR A 71 -10.148 13.076 37.699 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.645 13.051 37.854 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -7.811 13.367 36.788 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.057 12.712 39.066 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -6.437 13.344 36.925 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -6.684 12.689 39.213 1.00 0.00 C ATOM 1141 CZ TYR A 71 -5.878 13.005 38.139 1.00 0.00 C ATOM 1142 OH TYR A 71 -4.509 12.983 38.280 1.00 0.00 O ATOM 0 H TYR A 71 -11.332 13.139 35.223 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.039 11.079 36.914 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.444 14.033 37.269 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.608 13.014 38.685 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.245 13.635 35.836 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.685 12.462 39.908 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.804 13.590 36.086 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.244 12.425 40.163 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.279 12.726 39.197 1.00 0.00 H new ATOM 1152 N ALA A 72 -12.142 10.686 38.304 1.00 0.00 N ATOM 1153 CA ALA A 72 -13.413 10.228 38.852 1.00 0.00 C ATOM 1154 C ALA A 72 -13.225 9.611 40.234 1.00 0.00 C ATOM 1155 O ALA A 72 -12.649 8.532 40.369 1.00 0.00 O ATOM 1156 CB ALA A 72 -14.064 9.227 37.909 1.00 0.00 C ATOM 0 H ALA A 72 -11.319 10.289 38.758 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.068 11.093 38.955 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.012 8.893 38.331 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.243 9.700 36.943 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.404 8.370 37.777 1.00 0.00 H new ATOM 1162 N ASP A 73 -13.715 10.304 41.257 1.00 0.00 N ATOM 1163 CA ASP A 73 -13.601 9.823 42.629 1.00 0.00 C ATOM 1164 C ASP A 73 -14.890 9.139 43.074 1.00 0.00 C ATOM 1165 O ASP A 73 -14.861 8.050 43.644 1.00 0.00 O ATOM 1166 CB ASP A 73 -13.272 10.982 43.572 1.00 0.00 C ATOM 1167 CG ASP A 73 -12.524 10.527 44.809 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -11.367 10.079 44.671 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -13.096 10.619 45.916 1.00 0.00 O ATOM 0 H ASP A 73 -14.194 11.199 41.162 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.792 9.093 42.666 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.673 11.721 43.040 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.196 11.477 43.871 1.00 0.00 H new ATOM 1174 N GLY A 74 -16.020 9.788 42.810 1.00 0.00 N ATOM 1175 CA GLY A 74 -17.303 9.228 43.191 1.00 0.00 C ATOM 1176 C GLY A 74 -17.830 9.813 44.486 1.00 0.00 C ATOM 1177 O GLY A 74 -17.143 10.589 45.149 1.00 0.00 O ATOM 0 H GLY A 74 -16.070 10.691 42.339 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.025 9.408 42.395 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.207 8.147 43.297 1.00 0.00 H new ATOM 1181 N ALA A 75 -19.055 9.443 44.846 1.00 0.00 N ATOM 1182 CA ALA A 75 -19.673 9.937 46.070 1.00 0.00 C ATOM 1183 C ALA A 75 -20.904 9.113 46.434 1.00 0.00 C ATOM 1184 O ALA A 75 -21.646 8.667 45.559 1.00 0.00 O ATOM 1185 CB ALA A 75 -20.044 11.405 45.919 1.00 0.00 C ATOM 0 H ALA A 75 -19.639 8.803 44.307 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.949 9.838 46.879 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -20.505 11.761 46.841 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.146 11.988 45.714 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.747 11.520 45.094 1.00 0.00 H new ATOM 1191 N PHE A 76 -21.115 8.915 47.731 1.00 0.00 N ATOM 1192 CA PHE A 76 -22.256 8.143 48.211 1.00 0.00 C ATOM 1193 C PHE A 76 -23.038 8.925 49.262 1.00 0.00 C ATOM 1194 O PHE A 76 -22.472 9.732 50.000 1.00 0.00 O ATOM 1195 CB PHE A 76 -21.786 6.809 48.795 1.00 0.00 C ATOM 1196 CG PHE A 76 -20.954 6.959 50.037 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -21.553 7.207 51.262 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -19.574 6.851 49.979 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -20.790 7.344 52.406 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -18.807 6.987 51.120 1.00 0.00 C ATOM 1201 CZ PHE A 76 -19.415 7.235 52.335 1.00 0.00 C ATOM 0 H PHE A 76 -20.511 9.278 48.469 1.00 0.00 H new ATOM 0 HA PHE A 76 -22.914 7.949 47.364 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -22.657 6.194 49.022 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -21.207 6.275 48.041 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -22.628 7.294 51.323 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.093 6.658 49.032 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -21.269 7.536 53.355 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.732 6.899 51.062 1.00 0.00 H new ATOM 0 HZ PHE A 76 -18.817 7.343 53.228 1.00 0.00 H new ATOM 1211 N ALA A 77 -24.342 8.680 49.324 1.00 0.00 N ATOM 1212 CA ALA A 77 -25.202 9.359 50.285 1.00 0.00 C ATOM 1213 C ALA A 77 -26.607 8.765 50.281 1.00 0.00 C ATOM 1214 O ALA A 77 -27.098 8.316 49.245 1.00 0.00 O ATOM 1215 CB ALA A 77 -25.257 10.849 49.983 1.00 0.00 C ATOM 0 H ALA A 77 -24.826 8.016 48.720 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.778 9.216 51.279 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -25.903 11.344 50.708 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -24.253 11.270 50.044 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -25.654 11.002 48.980 1.00 0.00 H new ATOM 1221 N ASP A 78 -27.247 8.764 51.445 1.00 0.00 N ATOM 1222 CA ASP A 78 -28.596 8.225 51.575 1.00 0.00 C ATOM 1223 C ASP A 78 -29.533 9.251 52.204 1.00 0.00 C ATOM 1224 O ASP A 78 -29.685 9.303 53.425 1.00 0.00 O ATOM 1225 CB ASP A 78 -28.578 6.948 52.417 1.00 0.00 C ATOM 1226 CG ASP A 78 -28.065 7.189 53.823 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -26.845 7.409 53.980 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -28.882 7.157 54.766 1.00 0.00 O ATOM 0 H ASP A 78 -26.854 9.130 52.312 1.00 0.00 H new ATOM 0 HA ASP A 78 -28.964 7.988 50.577 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -29.585 6.535 52.467 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -27.951 6.202 51.928 1.00 0.00 H new ATOM 1233 N PHE A 79 -30.159 10.067 51.362 1.00 0.00 N ATOM 1234 CA PHE A 79 -31.080 11.094 51.836 1.00 0.00 C ATOM 1235 C PHE A 79 -31.863 11.700 50.675 1.00 0.00 C ATOM 1236 O PHE A 79 -31.585 11.418 49.509 1.00 0.00 O ATOM 1237 CB PHE A 79 -30.316 12.191 52.579 1.00 0.00 C ATOM 1238 CG PHE A 79 -29.482 13.057 51.677 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -28.512 12.497 50.861 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -29.669 14.429 51.645 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -27.744 13.291 50.031 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -28.904 15.228 50.816 1.00 0.00 C ATOM 1243 CZ PHE A 79 -27.941 14.658 50.008 1.00 0.00 C ATOM 0 H PHE A 79 -30.045 10.037 50.349 1.00 0.00 H new ATOM 0 HA PHE A 79 -31.786 10.625 52.522 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -31.028 12.818 53.116 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -29.670 11.730 53.326 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -28.355 11.429 50.874 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -30.421 14.880 52.275 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -26.990 12.843 49.401 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -29.060 16.297 50.801 1.00 0.00 H new ATOM 0 HZ PHE A 79 -27.342 15.280 49.359 1.00 0.00 H new ATOM 1253 N LYS A 80 -32.844 12.534 51.002 1.00 0.00 N ATOM 1254 CA LYS A 80 -33.668 13.182 49.988 1.00 0.00 C ATOM 1255 C LYS A 80 -34.629 14.181 50.625 1.00 0.00 C ATOM 1256 O LYS A 80 -34.902 14.114 51.823 1.00 0.00 O ATOM 1257 CB LYS A 80 -34.455 12.135 49.196 1.00 0.00 C ATOM 1258 CG LYS A 80 -35.789 11.773 49.825 1.00 0.00 C ATOM 1259 CD LYS A 80 -36.917 12.627 49.269 1.00 0.00 C ATOM 1260 CE LYS A 80 -38.012 12.845 50.302 1.00 0.00 C ATOM 1261 NZ LYS A 80 -37.452 13.178 51.642 1.00 0.00 N ATOM 0 H LYS A 80 -33.088 12.777 51.962 1.00 0.00 H new ATOM 0 HA LYS A 80 -33.008 13.722 49.309 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -34.628 12.509 48.187 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -33.850 11.233 49.102 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -36.005 10.720 49.643 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -35.731 11.904 50.906 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -36.521 13.590 48.948 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -37.338 12.146 48.387 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -38.668 13.651 49.972 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -38.624 11.946 50.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -38.013 13.941 52.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -37.487 12.336 52.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -36.465 13.490 51.538 1.00 0.00 H new ATOM 1275 N GLN A 81 -35.138 15.104 49.816 1.00 0.00 N ATOM 1276 CA GLN A 81 -36.069 16.115 50.301 1.00 0.00 C ATOM 1277 C GLN A 81 -36.973 16.608 49.176 1.00 0.00 C ATOM 1278 O GLN A 81 -36.495 17.059 48.136 1.00 0.00 O ATOM 1279 CB GLN A 81 -35.304 17.292 50.909 1.00 0.00 C ATOM 1280 CG GLN A 81 -34.321 16.884 51.994 1.00 0.00 C ATOM 1281 CD GLN A 81 -35.010 16.387 53.250 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -36.127 16.801 53.564 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -34.346 15.496 53.977 1.00 0.00 N ATOM 0 H GLN A 81 -34.921 15.172 48.822 1.00 0.00 H new ATOM 0 HA GLN A 81 -36.693 15.659 51.070 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -34.764 17.811 50.117 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -36.018 18.002 51.326 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -33.666 16.102 51.610 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -33.688 17.735 52.244 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -33.423 15.181 53.679 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -34.759 15.127 54.833 1.00 0.00 H new ATOM 1292 N GLU A 82 -38.282 16.517 49.393 1.00 0.00 N ATOM 1293 CA GLU A 82 -39.252 16.952 48.395 1.00 0.00 C ATOM 1294 C GLU A 82 -39.516 18.451 48.511 1.00 0.00 C ATOM 1295 O GLU A 82 -40.659 18.900 48.423 1.00 0.00 O ATOM 1296 CB GLU A 82 -40.563 16.179 48.555 1.00 0.00 C ATOM 1297 CG GLU A 82 -40.499 14.757 48.024 1.00 0.00 C ATOM 1298 CD GLU A 82 -41.549 13.855 48.643 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -42.753 14.135 48.462 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -41.168 12.870 49.309 1.00 0.00 O ATOM 0 H GLU A 82 -38.694 16.147 50.249 1.00 0.00 H new ATOM 0 HA GLU A 82 -38.836 16.748 47.408 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -40.833 16.152 49.611 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -41.357 16.716 48.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -40.630 14.771 46.942 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -39.509 14.344 48.220 1.00 0.00 H new ATOM 1307 N SER A 83 -38.450 19.220 48.709 1.00 0.00 N ATOM 1308 CA SER A 83 -38.566 20.668 48.842 1.00 0.00 C ATOM 1309 C SER A 83 -38.194 21.364 47.536 1.00 0.00 C ATOM 1310 O SER A 83 -37.239 20.977 46.863 1.00 0.00 O ATOM 1311 CB SER A 83 -37.669 21.170 49.975 1.00 0.00 C ATOM 1312 OG SER A 83 -37.732 22.582 50.087 1.00 0.00 O ATOM 0 H SER A 83 -37.497 18.865 48.781 1.00 0.00 H new ATOM 0 HA SER A 83 -39.603 20.906 49.077 1.00 0.00 H new ATOM 0 HB2 SER A 83 -37.976 20.713 50.916 1.00 0.00 H new ATOM 0 HB3 SER A 83 -36.640 20.862 49.792 1.00 0.00 H new ATOM 0 HG SER A 83 -37.152 22.878 50.819 1.00 0.00 H new ATOM 1318 N GLY A 84 -38.957 22.395 47.184 1.00 0.00 N ATOM 1319 CA GLY A 84 -38.693 23.129 45.961 1.00 0.00 C ATOM 1320 C GLY A 84 -39.964 23.526 45.237 1.00 0.00 C ATOM 1321 O GLY A 84 -40.854 24.161 45.804 1.00 0.00 O ATOM 0 H GLY A 84 -39.753 22.734 47.724 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -38.117 24.024 46.195 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -38.078 22.518 45.300 1.00 0.00 H new ATOM 1325 N PRO A 85 -40.061 23.149 43.954 1.00 0.00 N ATOM 1326 CA PRO A 85 -41.229 23.460 43.124 1.00 0.00 C ATOM 1327 C PRO A 85 -42.467 22.679 43.549 1.00 0.00 C ATOM 1328 O PRO A 85 -42.371 21.528 43.975 1.00 0.00 O ATOM 1329 CB PRO A 85 -40.788 23.041 41.719 1.00 0.00 C ATOM 1330 CG PRO A 85 -39.745 22.000 41.945 1.00 0.00 C ATOM 1331 CD PRO A 85 -39.039 22.390 43.214 1.00 0.00 C ATOM 0 HA PRO A 85 -41.515 24.509 43.200 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -41.624 22.645 41.143 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -40.388 23.887 41.160 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -40.194 21.011 42.036 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -39.048 21.958 41.108 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -38.705 21.516 43.773 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -38.156 22.996 43.012 1.00 0.00 H new ATOM 1339 N SER A 86 -43.630 23.311 43.430 1.00 0.00 N ATOM 1340 CA SER A 86 -44.888 22.676 43.805 1.00 0.00 C ATOM 1341 C SER A 86 -44.861 22.241 45.267 1.00 0.00 C ATOM 1342 O SER A 86 -45.283 21.135 45.605 1.00 0.00 O ATOM 1343 CB SER A 86 -45.161 21.468 42.907 1.00 0.00 C ATOM 1344 OG SER A 86 -45.609 21.876 41.626 1.00 0.00 O ATOM 0 H SER A 86 -43.727 24.263 43.077 1.00 0.00 H new ATOM 0 HA SER A 86 -45.688 23.405 43.675 1.00 0.00 H new ATOM 0 HB2 SER A 86 -44.253 20.873 42.806 1.00 0.00 H new ATOM 0 HB3 SER A 86 -45.911 20.828 43.371 1.00 0.00 H new ATOM 0 HG SER A 86 -45.775 21.086 41.070 1.00 0.00 H new ATOM 1350 N SER A 87 -44.363 23.121 46.131 1.00 0.00 N ATOM 1351 CA SER A 87 -44.277 22.827 47.557 1.00 0.00 C ATOM 1352 C SER A 87 -45.387 23.538 48.325 1.00 0.00 C ATOM 1353 O SER A 87 -45.296 24.732 48.609 1.00 0.00 O ATOM 1354 CB SER A 87 -42.912 23.249 48.104 1.00 0.00 C ATOM 1355 OG SER A 87 -42.756 24.656 48.056 1.00 0.00 O ATOM 0 H SER A 87 -44.013 24.042 45.868 1.00 0.00 H new ATOM 0 HA SER A 87 -44.397 21.752 47.690 1.00 0.00 H new ATOM 0 HB2 SER A 87 -42.806 22.903 49.132 1.00 0.00 H new ATOM 0 HB3 SER A 87 -42.121 22.772 47.524 1.00 0.00 H new ATOM 0 HG SER A 87 -43.614 25.087 48.254 1.00 0.00 H new ATOM 1361 N GLY A 88 -46.438 22.794 48.658 1.00 0.00 N ATOM 1362 CA GLY A 88 -47.552 23.369 49.390 1.00 0.00 C ATOM 1363 C GLY A 88 -47.494 23.057 50.872 1.00 0.00 C ATOM 1364 O GLY A 88 -47.635 23.972 51.683 1.00 0.00 O ATOM 0 H GLY A 88 -46.538 21.804 48.434 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -47.556 24.450 49.249 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -48.488 22.990 48.978 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.929 -5.300 3.880 1.00 0.00 ZN