USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot 20:sc= -4.37! USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 30:sc= -3.83! USER MOD Set 2.2: A 52 ASN : amide:sc= -3.57! C(o=-9.1!,f=-17!) USER MOD Set 2.3: A 104 HEC O2A : rot 69:sc= -1.72! USER MOD Set 3.1: A 39 HIS : no HD1:sc= -6.72! C(o=-6.8!,f=-8!) USER MOD Set 3.2: A 56 ASN : amide:sc= -0.0878 K(o=-6.8,f=-7.9) USER MOD Set 4.1: A 19 THR OG1 : rot 116:sc= -0.684 USER MOD Set 4.2: A 26 HIS : no HD1:sc= -1.52 K(o=-3,f=-5.9) USER MOD Set 4.3: A 31 ASN :FLIP amide:sc= -0.816 F(o=-5.5!,f=-3) USER MOD Single : A 2 SER OG : rot 170:sc= -3.03! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 146:sc= 0.0776 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.00702 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.199 F(o=-0.89,f=-0.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -9.42! C(o=-9.4!,f=-17!) USER MOD Single : A 40 SER OG : rot 130:sc= -0.997 USER MOD Single : A 42 GLN : amide:sc= -4.64! C(o=-4.6!,f=-5.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 41:sc= 0.0049 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00873 USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= 0.346 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.4!) USER MOD Single : A 63 ASN : amide:sc= -1.05! C(o=-1!,f=-14!) USER MOD Single : A 64 MET CE :methyl -177:sc= -7.72! (180deg=-8.43!) USER MOD Single : A 65 SER OG : rot -82:sc= 0.815 USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.159 USER MOD Single : A 70 ASN : amide:sc= -4.09! C(o=-4.1!,f=-7.5!) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0306) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 161:sc= -1.01 (180deg=-2.38!) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0261) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= -0.0362 (180deg=-0.232) USER MOD Single : A 92 ASN : amide:sc= -2.57! C(o=-2.6!,f=-4.3!) USER MOD Single : A 96 THR OG1 : rot -110:sc= -1.55! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -53:sc= -1.19! USER MOD Single : A 104 HEC O2D : rot -41:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 11.082 -14.674 -8.876 1.00 0.00 N ATOM 2 CA THR A -5 10.077 -14.990 -7.875 1.00 0.00 C ATOM 3 C THR A -5 8.913 -15.754 -8.510 1.00 0.00 C ATOM 4 O THR A -5 8.654 -15.616 -9.704 1.00 0.00 O ATOM 5 CB THR A -5 9.652 -13.683 -7.203 1.00 0.00 C ATOM 6 OG1 THR A -5 10.803 -13.280 -6.467 1.00 0.00 O ATOM 7 CG2 THR A -5 8.580 -13.896 -6.132 1.00 0.00 C ATOM 0 H1 THR A -5 11.519 -13.757 -8.652 1.00 0.00 H new ATOM 0 H2 THR A -5 11.813 -15.414 -8.880 1.00 0.00 H new ATOM 0 H3 THR A -5 10.635 -14.625 -9.814 1.00 0.00 H new ATOM 0 HA THR A -5 10.478 -15.652 -7.107 1.00 0.00 H new ATOM 0 HB THR A -5 9.277 -12.992 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A -5 10.615 -12.439 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A -5 8.315 -12.937 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A -5 7.695 -14.342 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A -5 8.965 -14.561 -5.359 1.00 0.00 H new ATOM 15 N GLU A -4 8.244 -16.542 -7.682 1.00 0.00 N ATOM 16 CA GLU A -4 7.114 -17.328 -8.147 1.00 0.00 C ATOM 17 C GLU A -4 5.836 -16.902 -7.422 1.00 0.00 C ATOM 18 O GLU A -4 4.760 -16.870 -8.017 1.00 0.00 O ATOM 19 CB GLU A -4 7.375 -18.825 -7.965 1.00 0.00 C ATOM 20 CG GLU A -4 7.750 -19.144 -6.517 1.00 0.00 C ATOM 21 CD GLU A -4 9.222 -18.823 -6.249 1.00 0.00 C ATOM 22 OE1 GLU A -4 10.019 -18.981 -7.199 1.00 0.00 O ATOM 23 OE2 GLU A -4 9.518 -18.429 -5.100 1.00 0.00 O ATOM 0 H GLU A -4 8.463 -16.653 -6.692 1.00 0.00 H new ATOM 0 HA GLU A -4 6.982 -17.143 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A -4 6.486 -19.390 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A -4 8.178 -19.141 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.119 -18.569 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A -4 7.561 -20.198 -6.312 1.00 0.00 H new ATOM 30 N PHE A -3 5.996 -16.585 -6.145 1.00 0.00 N ATOM 31 CA PHE A -3 4.869 -16.162 -5.332 1.00 0.00 C ATOM 32 C PHE A -3 3.772 -17.229 -5.318 1.00 0.00 C ATOM 33 O PHE A -3 3.216 -17.566 -6.362 1.00 0.00 O ATOM 34 CB PHE A -3 4.314 -14.885 -5.966 1.00 0.00 C ATOM 35 CG PHE A -3 3.099 -14.307 -5.238 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.770 -14.758 -3.999 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.348 -13.340 -5.832 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.642 -14.221 -3.323 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.220 -12.803 -5.157 1.00 0.00 C ATOM 40 CZ PHE A -3 0.890 -13.255 -3.917 1.00 0.00 C ATOM 0 H PHE A -3 6.890 -16.613 -5.654 1.00 0.00 H new ATOM 0 HA PHE A -3 5.193 -15.998 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.102 -14.132 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.040 -15.094 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.367 -15.525 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.610 -12.981 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A -3 1.381 -14.579 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.624 -12.036 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A -3 0.031 -12.847 -3.404 1.00 0.00 H new ATOM 50 N LYS A -2 3.493 -17.730 -4.124 1.00 0.00 N ATOM 51 CA LYS A -2 2.473 -18.752 -3.961 1.00 0.00 C ATOM 52 C LYS A -2 1.124 -18.081 -3.693 1.00 0.00 C ATOM 53 O LYS A -2 0.304 -18.606 -2.941 1.00 0.00 O ATOM 54 CB LYS A -2 2.886 -19.754 -2.881 1.00 0.00 C ATOM 55 CG LYS A -2 3.220 -21.115 -3.496 1.00 0.00 C ATOM 56 CD LYS A -2 2.068 -22.103 -3.299 1.00 0.00 C ATOM 57 CE LYS A -2 2.435 -23.488 -3.835 1.00 0.00 C ATOM 58 NZ LYS A -2 1.244 -24.366 -3.862 1.00 0.00 N ATOM 0 H LYS A -2 3.955 -17.447 -3.260 1.00 0.00 H new ATOM 0 HA LYS A -2 2.365 -19.332 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.752 -19.374 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.080 -19.866 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.425 -20.997 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A -2 4.127 -21.512 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A -2 1.821 -22.173 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A -2 1.178 -21.736 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A -2 2.850 -23.398 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A -2 3.208 -23.933 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 1.511 -25.302 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 0.865 -24.466 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 0.518 -23.947 -4.478 1.00 0.00 H new ATOM 72 N ALA A -1 0.936 -16.930 -4.322 1.00 0.00 N ATOM 73 CA ALA A -1 -0.299 -16.182 -4.162 1.00 0.00 C ATOM 74 C ALA A -1 -1.473 -17.159 -4.069 1.00 0.00 C ATOM 75 O ALA A -1 -1.400 -18.274 -4.583 1.00 0.00 O ATOM 76 CB ALA A -1 -0.452 -15.194 -5.320 1.00 0.00 C ATOM 0 H ALA A -1 1.619 -16.497 -4.944 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.279 -15.601 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.379 -14.633 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.392 -14.504 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.478 -15.740 -6.263 1.00 0.00 H new ATOM 82 N GLY A 1 -2.529 -16.704 -3.411 1.00 0.00 N ATOM 83 CA GLY A 1 -3.717 -17.523 -3.244 1.00 0.00 C ATOM 84 C GLY A 1 -3.712 -18.227 -1.886 1.00 0.00 C ATOM 85 O GLY A 1 -2.767 -18.943 -1.557 1.00 0.00 O ATOM 0 H GLY A 1 -2.586 -15.778 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.607 -16.900 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.767 -18.264 -4.042 1.00 0.00 H new ATOM 89 N SER A 2 -4.778 -18.000 -1.133 1.00 0.00 N ATOM 90 CA SER A 2 -4.909 -18.603 0.182 1.00 0.00 C ATOM 91 C SER A 2 -5.884 -17.791 1.037 1.00 0.00 C ATOM 92 O SER A 2 -5.487 -16.829 1.694 1.00 0.00 O ATOM 93 CB SER A 2 -3.550 -18.705 0.879 1.00 0.00 C ATOM 94 OG SER A 2 -2.663 -17.666 0.473 1.00 0.00 O ATOM 0 H SER A 2 -5.560 -17.406 -1.409 1.00 0.00 H new ATOM 0 HA SER A 2 -5.300 -19.613 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.692 -18.659 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.100 -19.673 0.657 1.00 0.00 H new ATOM 0 HG SER A 2 -1.874 -17.663 1.055 1.00 0.00 H new ATOM 100 N ALA A 3 -7.141 -18.206 1.000 1.00 0.00 N ATOM 101 CA ALA A 3 -8.176 -17.529 1.763 1.00 0.00 C ATOM 102 C ALA A 3 -7.951 -17.782 3.255 1.00 0.00 C ATOM 103 O ALA A 3 -8.789 -18.393 3.917 1.00 0.00 O ATOM 104 CB ALA A 3 -9.552 -18.004 1.291 1.00 0.00 C ATOM 0 H ALA A 3 -7.467 -19.003 0.453 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.130 -16.452 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.328 -17.496 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.673 -17.774 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.636 -19.080 1.441 1.00 0.00 H new ATOM 110 N LYS A 4 -6.817 -17.299 3.740 1.00 0.00 N ATOM 111 CA LYS A 4 -6.472 -17.465 5.142 1.00 0.00 C ATOM 112 C LYS A 4 -6.698 -16.143 5.878 1.00 0.00 C ATOM 113 O LYS A 4 -7.707 -15.474 5.664 1.00 0.00 O ATOM 114 CB LYS A 4 -5.050 -18.012 5.282 1.00 0.00 C ATOM 115 CG LYS A 4 -4.891 -18.796 6.587 1.00 0.00 C ATOM 116 CD LYS A 4 -3.414 -19.054 6.895 1.00 0.00 C ATOM 117 CE LYS A 4 -3.179 -19.158 8.403 1.00 0.00 C ATOM 118 NZ LYS A 4 -1.767 -19.503 8.684 1.00 0.00 N ATOM 0 H LYS A 4 -6.125 -16.793 3.187 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.121 -18.205 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.820 -18.658 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.336 -17.189 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.346 -18.240 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.422 -19.745 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.093 -19.975 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.807 -18.248 6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.431 -18.212 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.837 -19.916 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.624 -19.570 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.538 -20.416 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.145 -18.765 8.295 1.00 0.00 H new ATOM 132 N LYS A 5 -5.741 -15.807 6.731 1.00 0.00 N ATOM 133 CA LYS A 5 -5.823 -14.577 7.500 1.00 0.00 C ATOM 134 C LYS A 5 -5.449 -13.394 6.604 1.00 0.00 C ATOM 135 O LYS A 5 -4.537 -12.633 6.924 1.00 0.00 O ATOM 136 CB LYS A 5 -4.973 -14.680 8.768 1.00 0.00 C ATOM 137 CG LYS A 5 -5.647 -13.964 9.940 1.00 0.00 C ATOM 138 CD LYS A 5 -6.204 -14.969 10.951 1.00 0.00 C ATOM 139 CE LYS A 5 -5.075 -15.638 11.737 1.00 0.00 C ATOM 140 NZ LYS A 5 -5.415 -15.707 13.175 1.00 0.00 N ATOM 0 H LYS A 5 -4.905 -16.365 6.906 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.845 -14.409 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.815 -15.729 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.990 -14.244 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.928 -13.309 10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.453 -13.331 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.880 -14.461 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.789 -15.727 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.900 -16.642 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.149 -15.079 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.638 -16.164 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.560 -14.745 13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.287 -16.260 13.299 1.00 0.00 H new ATOM 154 N GLY A 6 -6.172 -13.277 5.500 1.00 0.00 N ATOM 155 CA GLY A 6 -5.928 -12.201 4.556 1.00 0.00 C ATOM 156 C GLY A 6 -6.893 -11.037 4.789 1.00 0.00 C ATOM 157 O GLY A 6 -6.478 -9.880 4.831 1.00 0.00 O ATOM 0 H GLY A 6 -6.927 -13.910 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.900 -11.851 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.041 -12.573 3.538 1.00 0.00 H new ATOM 161 N ALA A 7 -8.164 -11.384 4.936 1.00 0.00 N ATOM 162 CA ALA A 7 -9.192 -10.383 5.164 1.00 0.00 C ATOM 163 C ALA A 7 -8.925 -9.679 6.496 1.00 0.00 C ATOM 164 O ALA A 7 -8.713 -8.468 6.530 1.00 0.00 O ATOM 165 CB ALA A 7 -10.569 -11.047 5.121 1.00 0.00 C ATOM 0 H ALA A 7 -8.505 -12.345 4.902 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.171 -9.625 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.340 -10.296 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.721 -11.507 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.629 -11.811 5.896 1.00 0.00 H new ATOM 171 N THR A 8 -8.944 -10.468 7.560 1.00 0.00 N ATOM 172 CA THR A 8 -8.707 -9.935 8.891 1.00 0.00 C ATOM 173 C THR A 8 -7.415 -9.117 8.915 1.00 0.00 C ATOM 174 O THR A 8 -7.225 -8.275 9.792 1.00 0.00 O ATOM 175 CB THR A 8 -8.704 -11.107 9.875 1.00 0.00 C ATOM 176 OG1 THR A 8 -9.850 -10.878 10.691 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.531 -11.044 10.856 1.00 0.00 C ATOM 0 H THR A 8 -9.120 -11.472 7.528 1.00 0.00 H new ATOM 0 HA THR A 8 -9.497 -9.245 9.188 1.00 0.00 H new ATOM 0 HB THR A 8 -8.666 -12.045 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.926 -11.593 11.357 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.576 -11.898 11.532 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.592 -11.068 10.303 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.589 -10.121 11.433 1.00 0.00 H new ATOM 185 N LEU A 9 -6.559 -9.393 7.942 1.00 0.00 N ATOM 186 CA LEU A 9 -5.290 -8.693 7.841 1.00 0.00 C ATOM 187 C LEU A 9 -5.550 -7.214 7.546 1.00 0.00 C ATOM 188 O LEU A 9 -5.463 -6.374 8.441 1.00 0.00 O ATOM 189 CB LEU A 9 -4.382 -9.374 6.815 1.00 0.00 C ATOM 190 CG LEU A 9 -2.877 -9.207 7.035 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.097 -10.344 6.372 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.403 -7.833 6.560 1.00 0.00 C ATOM 0 H LEU A 9 -6.720 -10.092 7.217 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.753 -8.740 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.612 -10.439 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.630 -8.987 5.827 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.680 -9.263 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.030 -10.201 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.409 -11.297 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.295 -10.345 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.330 -7.740 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.615 -7.723 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.926 -7.055 7.117 1.00 0.00 H new ATOM 204 N PHE A 10 -5.863 -6.941 6.288 1.00 0.00 N ATOM 205 CA PHE A 10 -6.136 -5.578 5.864 1.00 0.00 C ATOM 206 C PHE A 10 -7.064 -4.872 6.854 1.00 0.00 C ATOM 207 O PHE A 10 -6.945 -3.667 7.071 1.00 0.00 O ATOM 208 CB PHE A 10 -6.832 -5.664 4.504 1.00 0.00 C ATOM 209 CG PHE A 10 -6.865 -4.341 3.737 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.705 -3.690 3.453 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.055 -3.815 3.339 1.00 0.00 C ATOM 212 CE1 PHE A 10 -5.736 -2.462 2.742 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.085 -2.587 2.627 1.00 0.00 C ATOM 214 CZ PHE A 10 -6.925 -1.936 2.344 1.00 0.00 C ATOM 0 H PHE A 10 -5.934 -7.640 5.549 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.206 -5.011 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.325 -6.413 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.854 -6.012 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.760 -4.108 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.976 -4.331 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.815 -1.945 2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.029 -2.170 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.948 -1.001 1.803 1.00 0.00 H new ATOM 224 N LYS A 11 -7.969 -5.651 7.428 1.00 0.00 N ATOM 225 CA LYS A 11 -8.916 -5.115 8.390 1.00 0.00 C ATOM 226 C LYS A 11 -8.156 -4.360 9.482 1.00 0.00 C ATOM 227 O LYS A 11 -8.559 -3.269 9.883 1.00 0.00 O ATOM 228 CB LYS A 11 -9.821 -6.226 8.927 1.00 0.00 C ATOM 229 CG LYS A 11 -10.734 -5.701 10.037 1.00 0.00 C ATOM 230 CD LYS A 11 -12.135 -5.402 9.499 1.00 0.00 C ATOM 231 CE LYS A 11 -13.008 -6.658 9.514 1.00 0.00 C ATOM 232 NZ LYS A 11 -14.426 -6.302 9.746 1.00 0.00 N ATOM 0 H LYS A 11 -8.066 -6.650 7.245 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.581 -4.397 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.425 -6.632 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.211 -7.044 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.798 -6.437 10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.305 -4.796 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.602 -4.623 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.063 -5.017 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.910 -7.187 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.665 -7.337 10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.004 -7.166 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.517 -5.817 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.755 -5.672 8.987 1.00 0.00 H new ATOM 246 N THR A 12 -7.070 -4.970 9.932 1.00 0.00 N ATOM 247 CA THR A 12 -6.249 -4.368 10.970 1.00 0.00 C ATOM 248 C THR A 12 -4.796 -4.261 10.505 1.00 0.00 C ATOM 249 O THR A 12 -4.209 -5.245 10.057 1.00 0.00 O ATOM 250 CB THR A 12 -6.420 -5.195 12.246 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.248 -4.385 13.076 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.116 -5.328 13.036 1.00 0.00 C ATOM 0 H THR A 12 -6.739 -5.875 9.597 1.00 0.00 H new ATOM 0 HA THR A 12 -6.565 -3.347 11.183 1.00 0.00 H new ATOM 0 HB THR A 12 -6.792 -6.187 11.989 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.411 -4.846 13.925 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.292 -5.924 13.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.364 -5.817 12.417 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.762 -4.338 13.323 1.00 0.00 H new ATOM 260 N ARG A 13 -4.256 -3.057 10.628 1.00 0.00 N ATOM 261 CA ARG A 13 -2.882 -2.808 10.226 1.00 0.00 C ATOM 262 C ARG A 13 -2.834 -2.312 8.780 1.00 0.00 C ATOM 263 O ARG A 13 -1.776 -2.321 8.152 1.00 0.00 O ATOM 264 CB ARG A 13 -2.033 -4.075 10.352 1.00 0.00 C ATOM 265 CG ARG A 13 -2.220 -4.726 11.724 1.00 0.00 C ATOM 266 CD ARG A 13 -1.023 -4.440 12.634 1.00 0.00 C ATOM 267 NE ARG A 13 -0.653 -5.662 13.382 1.00 0.00 N ATOM 268 CZ ARG A 13 0.169 -6.610 12.912 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.712 -6.483 11.694 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.449 -7.685 13.662 1.00 0.00 N ATOM 0 H ARG A 13 -4.745 -2.243 11.000 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.475 -2.045 10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.309 -4.782 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.982 -3.829 10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.132 -4.350 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.343 -5.803 11.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.177 -4.098 12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.268 -3.638 13.330 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.048 -5.791 14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.500 -5.664 11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.338 -7.205 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.036 -7.781 14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.075 -8.407 13.305 1.00 0.00 H new ATOM 284 N CYS A 14 -3.992 -1.890 8.293 1.00 0.00 N ATOM 285 CA CYS A 14 -4.095 -1.391 6.933 1.00 0.00 C ATOM 286 C CYS A 14 -5.305 -0.457 6.854 1.00 0.00 C ATOM 287 O CYS A 14 -5.149 0.757 6.735 1.00 0.00 O ATOM 288 CB CYS A 14 -4.187 -2.531 5.917 1.00 0.00 C ATOM 289 SG CYS A 14 -2.796 -3.720 5.970 1.00 0.00 S ATOM 0 H CYS A 14 -4.867 -1.884 8.817 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.192 -0.837 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.117 -3.074 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.243 -2.103 4.916 1.00 0.00 H new ATOM 294 N LEU A 15 -6.482 -1.060 6.923 1.00 0.00 N ATOM 295 CA LEU A 15 -7.718 -0.298 6.861 1.00 0.00 C ATOM 296 C LEU A 15 -7.603 0.926 7.771 1.00 0.00 C ATOM 297 O LEU A 15 -8.075 2.008 7.425 1.00 0.00 O ATOM 298 CB LEU A 15 -8.916 -1.194 7.182 1.00 0.00 C ATOM 299 CG LEU A 15 -10.041 -1.206 6.145 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.547 -1.758 4.807 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.259 -1.973 6.666 1.00 0.00 C ATOM 0 H LEU A 15 -6.607 -2.068 7.021 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.888 0.072 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.557 -2.215 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.334 -0.880 8.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.357 -0.177 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.366 -1.756 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.735 -1.134 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.188 -2.778 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.044 -1.966 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.975 -3.002 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.627 -1.497 7.575 1.00 0.00 H new ATOM 313 N GLN A 16 -6.974 0.714 8.918 1.00 0.00 N ATOM 314 CA GLN A 16 -6.791 1.787 9.880 1.00 0.00 C ATOM 315 C GLN A 16 -6.402 3.082 9.164 1.00 0.00 C ATOM 316 O GLN A 16 -6.684 4.175 9.654 1.00 0.00 O ATOM 317 CB GLN A 16 -5.748 1.408 10.933 1.00 0.00 C ATOM 318 CG GLN A 16 -4.364 1.250 10.301 1.00 0.00 C ATOM 319 CD GLN A 16 -3.272 1.216 11.372 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.138 0.036 11.972 1.00 0.00 O flip ATOM 321 NE2 GLN A 16 -2.596 2.197 11.637 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.585 -0.185 9.202 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.737 1.951 10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.713 2.174 11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.038 0.477 11.419 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.331 0.332 9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.178 2.075 9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.751 3.073 11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.876 2.141 12.358 1.00 0.00 H new ATOM 330 N CYS A 17 -5.761 2.917 8.017 1.00 0.00 N ATOM 331 CA CYS A 17 -5.330 4.059 7.229 1.00 0.00 C ATOM 332 C CYS A 17 -6.179 4.112 5.957 1.00 0.00 C ATOM 333 O CYS A 17 -6.898 5.045 5.585 1.00 0.00 O ATOM 334 CB CYS A 17 -3.834 3.998 6.915 1.00 0.00 C ATOM 335 SG CYS A 17 -2.740 4.032 8.381 1.00 0.00 S ATOM 0 H CYS A 17 -5.529 2.009 7.614 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.476 4.975 7.801 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.633 3.088 6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.578 4.838 6.269 1.00 0.00 H new ATOM 340 N HIS A 18 -6.112 2.984 5.163 1.00 0.00 N ATOM 341 CA HIS A 18 -6.543 2.956 3.752 1.00 0.00 C ATOM 342 C HIS A 18 -7.895 2.301 3.503 1.00 0.00 C ATOM 343 O HIS A 18 -8.455 1.541 4.292 1.00 0.00 O ATOM 344 CB HIS A 18 -5.577 2.108 2.913 1.00 0.00 C ATOM 345 CG HIS A 18 -4.125 2.480 2.768 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.693 3.430 1.913 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.002 1.941 3.362 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.449 3.520 1.998 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.928 2.592 2.857 1.00 0.00 N ATOM 0 H HIS A 18 -5.758 2.088 5.499 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.580 4.011 3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.606 1.098 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.993 2.057 1.907 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.286 3.985 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.983 1.147 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.857 4.244 1.458 1.00 0.00 H new ATOM 357 N THR A 19 -8.393 2.667 2.331 1.00 0.00 N ATOM 358 CA THR A 19 -9.685 2.177 1.881 1.00 0.00 C ATOM 359 C THR A 19 -9.548 1.474 0.529 1.00 0.00 C ATOM 360 O THR A 19 -9.209 2.106 -0.471 1.00 0.00 O ATOM 361 CB THR A 19 -10.657 3.358 1.857 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.297 4.079 0.681 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.403 4.350 2.994 1.00 0.00 C ATOM 0 H THR A 19 -7.925 3.297 1.679 1.00 0.00 H new ATOM 0 HA THR A 19 -10.082 1.425 2.563 1.00 0.00 H new ATOM 0 HB THR A 19 -11.680 2.987 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.045 4.067 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.120 5.168 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.516 3.842 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.391 4.747 2.911 1.00 0.00 H new ATOM 371 N VAL A 20 -9.818 0.177 0.542 1.00 0.00 N ATOM 372 CA VAL A 20 -9.728 -0.618 -0.671 1.00 0.00 C ATOM 373 C VAL A 20 -10.794 -0.147 -1.663 1.00 0.00 C ATOM 374 O VAL A 20 -10.585 -0.198 -2.875 1.00 0.00 O ATOM 375 CB VAL A 20 -9.843 -2.105 -0.331 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.141 -2.397 0.423 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.737 -2.965 -1.592 1.00 0.00 C ATOM 0 H VAL A 20 -10.099 -0.343 1.373 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.757 -0.481 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.010 -2.364 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.197 -3.461 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.160 -1.825 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.993 -2.114 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.822 -4.018 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.539 -2.701 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.774 -2.790 -2.072 1.00 0.00 H new ATOM 387 N GLU A 21 -11.913 0.299 -1.113 1.00 0.00 N ATOM 388 CA GLU A 21 -13.012 0.778 -1.935 1.00 0.00 C ATOM 389 C GLU A 21 -12.569 1.989 -2.760 1.00 0.00 C ATOM 390 O GLU A 21 -11.420 2.418 -2.671 1.00 0.00 O ATOM 391 CB GLU A 21 -14.232 1.116 -1.076 1.00 0.00 C ATOM 392 CG GLU A 21 -13.819 1.861 0.194 1.00 0.00 C ATOM 393 CD GLU A 21 -14.970 2.716 0.728 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.752 3.206 -0.116 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.043 2.860 1.968 1.00 0.00 O ATOM 0 H GLU A 21 -12.083 0.339 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.301 -0.018 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.928 1.728 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.759 0.200 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.510 1.145 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.958 2.495 -0.016 1.00 0.00 H new ATOM 402 N LYS A 22 -13.505 2.505 -3.543 1.00 0.00 N ATOM 403 CA LYS A 22 -13.226 3.657 -4.383 1.00 0.00 C ATOM 404 C LYS A 22 -13.792 4.915 -3.721 1.00 0.00 C ATOM 405 O LYS A 22 -13.082 5.905 -3.552 1.00 0.00 O ATOM 406 CB LYS A 22 -13.744 3.424 -5.803 1.00 0.00 C ATOM 407 CG LYS A 22 -13.406 4.607 -6.712 1.00 0.00 C ATOM 408 CD LYS A 22 -13.873 4.348 -8.146 1.00 0.00 C ATOM 409 CE LYS A 22 -12.776 4.699 -9.152 1.00 0.00 C ATOM 410 NZ LYS A 22 -13.292 5.634 -10.177 1.00 0.00 N ATOM 0 H LYS A 22 -14.457 2.146 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.150 3.804 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.305 2.512 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.824 3.275 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.880 5.511 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.330 4.782 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.152 3.300 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.765 4.939 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.930 5.150 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.410 3.791 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.534 5.862 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.085 5.191 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.620 6.507 -9.717 1.00 0.00 H new ATOM 424 N GLY A 23 -15.065 4.834 -3.363 1.00 0.00 N ATOM 425 CA GLY A 23 -15.735 5.953 -2.722 1.00 0.00 C ATOM 426 C GLY A 23 -15.315 6.078 -1.256 1.00 0.00 C ATOM 427 O GLY A 23 -16.150 5.987 -0.358 1.00 0.00 O ATOM 0 H GLY A 23 -15.650 4.011 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.497 6.875 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.815 5.819 -2.784 1.00 0.00 H new ATOM 431 N GLY A 24 -14.021 6.283 -1.060 1.00 0.00 N ATOM 432 CA GLY A 24 -13.480 6.421 0.282 1.00 0.00 C ATOM 433 C GLY A 24 -12.595 7.664 0.391 1.00 0.00 C ATOM 434 O GLY A 24 -11.682 7.853 -0.411 1.00 0.00 O ATOM 0 H GLY A 24 -13.331 6.357 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.296 6.487 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.900 5.534 0.537 1.00 0.00 H new ATOM 438 N PRO A 25 -12.903 8.501 1.417 1.00 0.00 N ATOM 439 CA PRO A 25 -12.146 9.721 1.642 1.00 0.00 C ATOM 440 C PRO A 25 -10.780 9.412 2.259 1.00 0.00 C ATOM 441 O PRO A 25 -10.698 8.755 3.295 1.00 0.00 O ATOM 442 CB PRO A 25 -13.027 10.570 2.544 1.00 0.00 C ATOM 443 CG PRO A 25 -14.031 9.614 3.166 1.00 0.00 C ATOM 444 CD PRO A 25 -13.978 8.310 2.387 1.00 0.00 C ATOM 0 HA PRO A 25 -11.918 10.251 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.435 11.068 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.532 11.350 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.794 9.441 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.034 10.039 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.773 7.464 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.927 8.106 1.891 1.00 0.00 H new ATOM 452 N HIS A 26 -9.743 9.901 1.596 1.00 0.00 N ATOM 453 CA HIS A 26 -8.385 9.686 2.066 1.00 0.00 C ATOM 454 C HIS A 26 -8.316 9.947 3.572 1.00 0.00 C ATOM 455 O HIS A 26 -8.844 10.946 4.057 1.00 0.00 O ATOM 456 CB HIS A 26 -7.394 10.538 1.271 1.00 0.00 C ATOM 457 CG HIS A 26 -7.666 10.572 -0.214 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.429 9.491 -1.045 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.158 11.567 -1.007 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.767 9.831 -2.281 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.218 11.118 -2.255 1.00 0.00 N ATOM 0 H HIS A 26 -9.816 10.446 0.737 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.098 8.648 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.415 11.557 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.387 10.155 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.449 12.553 -0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.697 9.200 -3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.547 11.648 -3.062 1.00 0.00 H new ATOM 469 N LYS A 27 -7.661 9.030 4.269 1.00 0.00 N ATOM 470 CA LYS A 27 -7.516 9.149 5.710 1.00 0.00 C ATOM 471 C LYS A 27 -6.040 9.357 6.054 1.00 0.00 C ATOM 472 O LYS A 27 -5.513 10.458 5.904 1.00 0.00 O ATOM 473 CB LYS A 27 -8.147 7.945 6.412 1.00 0.00 C ATOM 474 CG LYS A 27 -9.628 8.196 6.706 1.00 0.00 C ATOM 475 CD LYS A 27 -10.099 7.364 7.900 1.00 0.00 C ATOM 476 CE LYS A 27 -11.538 6.885 7.702 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.570 5.689 6.830 1.00 0.00 N ATOM 0 H LYS A 27 -7.225 8.202 3.863 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.055 10.022 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.042 7.059 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.617 7.743 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.787 9.255 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.224 7.948 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.441 6.505 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.032 7.959 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.986 6.651 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.135 7.682 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.554 5.376 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.162 5.924 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.017 4.925 7.268 1.00 0.00 H new ATOM 491 N VAL A 28 -5.414 8.281 6.509 1.00 0.00 N ATOM 492 CA VAL A 28 -4.009 8.332 6.876 1.00 0.00 C ATOM 493 C VAL A 28 -3.152 8.213 5.614 1.00 0.00 C ATOM 494 O VAL A 28 -2.009 8.667 5.591 1.00 0.00 O ATOM 495 CB VAL A 28 -3.699 7.251 7.913 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.190 7.113 8.127 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.416 7.536 9.234 1.00 0.00 C ATOM 0 H VAL A 28 -5.854 7.369 6.632 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.771 9.288 7.342 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.071 6.302 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.997 6.338 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.712 6.841 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.784 8.061 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.178 6.752 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.089 8.499 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.493 7.560 9.066 1.00 0.00 H new ATOM 507 N GLY A 29 -3.737 7.601 4.596 1.00 0.00 N ATOM 508 CA GLY A 29 -3.042 7.417 3.333 1.00 0.00 C ATOM 509 C GLY A 29 -3.996 7.594 2.150 1.00 0.00 C ATOM 510 O GLY A 29 -5.188 7.834 2.340 1.00 0.00 O ATOM 0 H GLY A 29 -4.685 7.226 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.225 8.134 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.597 6.422 3.300 1.00 0.00 H new ATOM 514 N PRO A 30 -3.422 7.466 0.924 1.00 0.00 N ATOM 515 CA PRO A 30 -4.208 7.610 -0.289 1.00 0.00 C ATOM 516 C PRO A 30 -5.077 6.373 -0.529 1.00 0.00 C ATOM 517 O PRO A 30 -4.864 5.331 0.088 1.00 0.00 O ATOM 518 CB PRO A 30 -3.189 7.842 -1.393 1.00 0.00 C ATOM 519 CG PRO A 30 -1.858 7.360 -0.840 1.00 0.00 C ATOM 520 CD PRO A 30 -2.014 7.182 0.662 1.00 0.00 C ATOM 0 HA PRO A 30 -4.915 8.438 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.459 7.293 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.140 8.897 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.569 6.419 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.070 8.081 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.750 6.170 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.364 7.863 1.211 1.00 0.00 H new ATOM 528 N ASN A 31 -6.039 6.531 -1.426 1.00 0.00 N ATOM 529 CA ASN A 31 -6.941 5.440 -1.755 1.00 0.00 C ATOM 530 C ASN A 31 -6.260 4.504 -2.755 1.00 0.00 C ATOM 531 O ASN A 31 -5.900 4.921 -3.855 1.00 0.00 O ATOM 532 CB ASN A 31 -8.227 5.964 -2.398 1.00 0.00 C ATOM 533 CG ASN A 31 -9.345 6.093 -1.362 1.00 0.00 C ATOM 534 OD1 ASN A 31 -10.345 5.232 -1.536 1.00 0.00 O flip ATOM 535 ND2 ASN A 31 -9.304 6.918 -0.464 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.214 7.397 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.187 4.916 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.039 6.934 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.541 5.289 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.507 7.549 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.067 6.976 0.210 1.00 0.00 H new ATOM 542 N LEU A 32 -6.104 3.257 -2.338 1.00 0.00 N ATOM 543 CA LEU A 32 -5.472 2.258 -3.183 1.00 0.00 C ATOM 544 C LEU A 32 -6.396 1.933 -4.358 1.00 0.00 C ATOM 545 O LEU A 32 -6.070 2.225 -5.508 1.00 0.00 O ATOM 546 CB LEU A 32 -5.072 1.033 -2.358 1.00 0.00 C ATOM 547 CG LEU A 32 -4.136 1.297 -1.177 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.809 -0.002 -0.436 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.872 2.030 -1.632 1.00 0.00 C ATOM 0 H LEU A 32 -6.404 2.915 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.544 2.646 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.979 0.563 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.593 0.313 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.651 1.950 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.142 0.213 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.730 -0.448 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.322 -0.698 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.224 2.205 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.344 1.423 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.147 2.985 -2.080 1.00 0.00 H new ATOM 561 N HIS A 33 -7.530 1.332 -4.030 1.00 0.00 N ATOM 562 CA HIS A 33 -8.504 0.964 -5.044 1.00 0.00 C ATOM 563 C HIS A 33 -7.987 -0.236 -5.839 1.00 0.00 C ATOM 564 O HIS A 33 -7.576 -1.240 -5.258 1.00 0.00 O ATOM 565 CB HIS A 33 -8.842 2.163 -5.932 1.00 0.00 C ATOM 566 CG HIS A 33 -10.113 1.996 -6.730 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.794 0.794 -6.813 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.820 2.892 -7.478 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.860 0.969 -7.580 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.874 2.270 -7.992 1.00 0.00 N ATOM 0 H HIS A 33 -7.797 1.090 -3.076 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.437 0.665 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.931 3.051 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.014 2.339 -6.619 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.521 -0.079 -6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.565 3.931 -7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.590 0.215 -7.835 1.00 0.00 H new ATOM 578 N GLY A 34 -8.025 -0.094 -7.156 1.00 0.00 N ATOM 579 CA GLY A 34 -7.566 -1.154 -8.037 1.00 0.00 C ATOM 580 C GLY A 34 -6.138 -0.888 -8.517 1.00 0.00 C ATOM 581 O GLY A 34 -5.899 -0.740 -9.715 1.00 0.00 O ATOM 0 H GLY A 34 -8.367 0.740 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.606 -2.109 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.233 -1.233 -8.895 1.00 0.00 H new ATOM 585 N ILE A 35 -5.226 -0.835 -7.558 1.00 0.00 N ATOM 586 CA ILE A 35 -3.827 -0.590 -7.868 1.00 0.00 C ATOM 587 C ILE A 35 -3.295 -1.729 -8.739 1.00 0.00 C ATOM 588 O ILE A 35 -3.988 -2.203 -9.638 1.00 0.00 O ATOM 589 CB ILE A 35 -3.025 -0.371 -6.584 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.876 -1.677 -5.800 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.643 0.741 -5.733 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.756 -1.669 -4.549 1.00 0.00 C ATOM 0 H ILE A 35 -5.428 -0.957 -6.566 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.719 0.329 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.022 -0.045 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.149 -2.520 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.833 -1.817 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.053 0.876 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.653 1.671 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.664 0.469 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.631 -2.608 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.465 -0.840 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.800 -1.553 -4.839 1.00 0.00 H new ATOM 604 N PHE A 36 -2.069 -2.135 -8.443 1.00 0.00 N ATOM 605 CA PHE A 36 -1.436 -3.209 -9.188 1.00 0.00 C ATOM 606 C PHE A 36 -1.545 -2.969 -10.695 1.00 0.00 C ATOM 607 O PHE A 36 -2.590 -3.217 -11.294 1.00 0.00 O ATOM 608 CB PHE A 36 -2.180 -4.498 -8.834 1.00 0.00 C ATOM 609 CG PHE A 36 -1.820 -5.068 -7.461 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.517 -5.280 -7.133 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.802 -5.362 -6.568 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.182 -5.808 -5.858 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.468 -5.891 -5.293 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.165 -6.103 -4.965 1.00 0.00 C ATOM 0 H PHE A 36 -1.497 -1.739 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.378 -3.266 -8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.253 -4.307 -8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.967 -5.249 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.263 -5.047 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.836 -5.193 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.853 -5.975 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.248 -6.125 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.911 -6.506 -3.996 1.00 0.00 H new ATOM 624 N GLY A 37 -0.450 -2.488 -11.266 1.00 0.00 N ATOM 625 CA GLY A 37 -0.409 -2.212 -12.692 1.00 0.00 C ATOM 626 C GLY A 37 -0.102 -0.736 -12.956 1.00 0.00 C ATOM 627 O GLY A 37 0.437 -0.388 -14.005 1.00 0.00 O ATOM 0 H GLY A 37 0.415 -2.282 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.350 -2.835 -13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.365 -2.475 -13.145 1.00 0.00 H new ATOM 631 N ARG A 38 -0.459 0.092 -11.985 1.00 0.00 N ATOM 632 CA ARG A 38 -0.229 1.522 -12.099 1.00 0.00 C ATOM 633 C ARG A 38 1.108 1.898 -11.456 1.00 0.00 C ATOM 634 O ARG A 38 1.737 1.072 -10.797 1.00 0.00 O ATOM 635 CB ARG A 38 -1.351 2.316 -11.427 1.00 0.00 C ATOM 636 CG ARG A 38 -2.441 2.686 -12.436 1.00 0.00 C ATOM 637 CD ARG A 38 -2.008 3.871 -13.301 1.00 0.00 C ATOM 638 NE ARG A 38 -2.911 4.004 -14.466 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.576 4.613 -15.611 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.355 5.149 -15.752 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.460 4.686 -16.615 1.00 0.00 N ATOM 0 H ARG A 38 -0.906 -0.200 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.209 1.771 -13.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.784 1.727 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.943 3.222 -10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.660 1.828 -13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.362 2.934 -11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.024 4.788 -12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.982 3.729 -13.640 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.848 3.607 -14.392 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.682 5.093 -14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.099 5.613 -16.624 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.389 4.278 -16.508 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.205 5.150 -17.487 1.00 0.00 H new ATOM 655 N HIS A 39 1.502 3.144 -11.672 1.00 0.00 N ATOM 656 CA HIS A 39 2.752 3.639 -11.121 1.00 0.00 C ATOM 657 C HIS A 39 2.485 4.335 -9.785 1.00 0.00 C ATOM 658 O HIS A 39 1.401 4.873 -9.567 1.00 0.00 O ATOM 659 CB HIS A 39 3.469 4.542 -12.127 1.00 0.00 C ATOM 660 CG HIS A 39 4.627 3.877 -12.833 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.555 3.440 -14.144 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.885 3.580 -12.397 1.00 0.00 C ATOM 663 CE1 HIS A 39 5.722 2.905 -14.472 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.545 2.993 -13.387 1.00 0.00 N ATOM 0 H HIS A 39 0.978 3.826 -12.221 1.00 0.00 H new ATOM 0 HA HIS A 39 3.424 2.803 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.749 4.882 -12.872 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.834 5.429 -11.608 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.277 3.788 -11.412 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.977 2.475 -15.429 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.509 2.662 -13.344 1.00 0.00 H new ATOM 672 N SER A 40 3.493 4.302 -8.926 1.00 0.00 N ATOM 673 CA SER A 40 3.381 4.924 -7.617 1.00 0.00 C ATOM 674 C SER A 40 2.583 6.225 -7.722 1.00 0.00 C ATOM 675 O SER A 40 2.823 7.033 -8.618 1.00 0.00 O ATOM 676 CB SER A 40 4.761 5.194 -7.016 1.00 0.00 C ATOM 677 OG SER A 40 5.486 6.170 -7.760 1.00 0.00 O ATOM 0 H SER A 40 4.391 3.855 -9.110 1.00 0.00 H new ATOM 0 HA SER A 40 2.855 4.236 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.648 5.534 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.331 4.265 -6.985 1.00 0.00 H new ATOM 0 HG SER A 40 5.831 6.856 -7.151 1.00 0.00 H new ATOM 683 N GLY A 41 1.651 6.387 -6.795 1.00 0.00 N ATOM 684 CA GLY A 41 0.817 7.576 -6.772 1.00 0.00 C ATOM 685 C GLY A 41 -0.359 7.440 -7.742 1.00 0.00 C ATOM 686 O GLY A 41 -0.219 7.711 -8.934 1.00 0.00 O ATOM 0 H GLY A 41 1.455 5.714 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.443 7.742 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.414 8.448 -7.038 1.00 0.00 H new ATOM 690 N GLN A 42 -1.490 7.021 -7.195 1.00 0.00 N ATOM 691 CA GLN A 42 -2.689 6.846 -7.998 1.00 0.00 C ATOM 692 C GLN A 42 -3.807 7.757 -7.487 1.00 0.00 C ATOM 693 O GLN A 42 -4.986 7.431 -7.617 1.00 0.00 O ATOM 694 CB GLN A 42 -3.134 5.383 -8.006 1.00 0.00 C ATOM 695 CG GLN A 42 -2.111 4.503 -8.727 1.00 0.00 C ATOM 696 CD GLN A 42 -2.587 3.050 -8.792 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.695 2.751 -9.204 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.690 2.167 -8.363 1.00 0.00 N ATOM 0 H GLN A 42 -1.602 6.798 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.459 7.127 -9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.263 5.033 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.103 5.297 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.947 4.881 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.153 4.553 -8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.780 2.485 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.912 1.172 -8.366 1.00 0.00 H new ATOM 707 N ALA A 43 -3.398 8.880 -6.916 1.00 0.00 N ATOM 708 CA ALA A 43 -4.351 9.840 -6.385 1.00 0.00 C ATOM 709 C ALA A 43 -4.013 11.235 -6.916 1.00 0.00 C ATOM 710 O ALA A 43 -2.875 11.686 -6.804 1.00 0.00 O ATOM 711 CB ALA A 43 -4.338 9.779 -4.856 1.00 0.00 C ATOM 0 H ALA A 43 -2.419 9.147 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.362 9.599 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.053 10.499 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.613 8.776 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.339 10.019 -4.491 1.00 0.00 H new ATOM 717 N GLU A 44 -5.024 11.878 -7.481 1.00 0.00 N ATOM 718 CA GLU A 44 -4.848 13.212 -8.030 1.00 0.00 C ATOM 719 C GLU A 44 -5.591 14.240 -7.173 1.00 0.00 C ATOM 720 O GLU A 44 -6.807 14.384 -7.285 1.00 0.00 O ATOM 721 CB GLU A 44 -5.315 13.272 -9.486 1.00 0.00 C ATOM 722 CG GLU A 44 -4.152 13.011 -10.445 1.00 0.00 C ATOM 723 CD GLU A 44 -3.226 14.226 -10.528 1.00 0.00 C ATOM 724 OE1 GLU A 44 -3.760 15.353 -10.448 1.00 0.00 O ATOM 725 OE2 GLU A 44 -2.005 13.999 -10.669 1.00 0.00 O ATOM 0 H GLU A 44 -5.967 11.501 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.785 13.454 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.100 12.534 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.749 14.250 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.587 12.141 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.539 12.776 -11.436 1.00 0.00 H new ATOM 732 N GLY A 45 -4.827 14.928 -6.337 1.00 0.00 N ATOM 733 CA GLY A 45 -5.397 15.938 -5.462 1.00 0.00 C ATOM 734 C GLY A 45 -4.809 15.839 -4.053 1.00 0.00 C ATOM 735 O GLY A 45 -4.336 16.832 -3.502 1.00 0.00 O ATOM 0 H GLY A 45 -3.818 14.806 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.204 16.930 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.479 15.817 -5.417 1.00 0.00 H new ATOM 739 N TYR A 46 -4.857 14.631 -3.511 1.00 0.00 N ATOM 740 CA TYR A 46 -4.335 14.388 -2.177 1.00 0.00 C ATOM 741 C TYR A 46 -2.820 14.600 -2.134 1.00 0.00 C ATOM 742 O TYR A 46 -2.081 13.980 -2.898 1.00 0.00 O ATOM 743 CB TYR A 46 -4.642 12.923 -1.864 1.00 0.00 C ATOM 744 CG TYR A 46 -4.200 12.479 -0.468 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.859 12.315 -0.188 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.143 12.242 0.512 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.443 11.898 1.126 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.728 11.824 1.826 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.398 11.672 2.068 1.00 0.00 C ATOM 750 OH TYR A 46 -3.005 11.278 3.309 1.00 0.00 O ATOM 0 H TYR A 46 -5.249 13.810 -3.972 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.786 15.072 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.715 12.758 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.152 12.293 -2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.121 12.499 -0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.193 12.370 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.396 11.768 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.456 11.636 2.601 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.793 11.155 3.878 1.00 0.00 H new ATOM 760 N SER A 47 -2.402 15.477 -1.233 1.00 0.00 N ATOM 761 CA SER A 47 -0.989 15.777 -1.081 1.00 0.00 C ATOM 762 C SER A 47 -0.206 14.490 -0.816 1.00 0.00 C ATOM 763 O SER A 47 -0.578 13.699 0.049 1.00 0.00 O ATOM 764 CB SER A 47 -0.758 16.781 0.051 1.00 0.00 C ATOM 765 OG SER A 47 -1.474 16.428 1.232 1.00 0.00 O ATOM 0 H SER A 47 -3.017 15.989 -0.601 1.00 0.00 H new ATOM 0 HA SER A 47 -0.633 16.227 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.307 16.836 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.066 17.774 -0.277 1.00 0.00 H new ATOM 0 HG SER A 47 -1.414 15.460 1.374 1.00 0.00 H new ATOM 771 N TYR A 48 0.865 14.320 -1.578 1.00 0.00 N ATOM 772 CA TYR A 48 1.705 13.142 -1.437 1.00 0.00 C ATOM 773 C TYR A 48 3.055 13.502 -0.814 1.00 0.00 C ATOM 774 O TYR A 48 3.305 14.663 -0.493 1.00 0.00 O ATOM 775 CB TYR A 48 1.934 12.616 -2.855 1.00 0.00 C ATOM 776 CG TYR A 48 1.162 11.334 -3.175 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.216 11.322 -3.103 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.844 10.190 -3.537 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.942 10.116 -3.405 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.118 8.984 -3.839 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.240 9.006 -3.757 1.00 0.00 C ATOM 782 OH TYR A 48 -0.926 7.867 -4.042 1.00 0.00 O ATOM 0 H TYR A 48 1.170 14.978 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 48 1.228 12.406 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.647 13.388 -3.569 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.999 12.431 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.750 12.217 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.922 10.200 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.021 10.093 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.639 8.082 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.805 8.098 -4.409 1.00 0.00 H new ATOM 792 N THR A 49 3.891 12.485 -0.663 1.00 0.00 N ATOM 793 CA THR A 49 5.210 12.680 -0.085 1.00 0.00 C ATOM 794 C THR A 49 6.272 12.730 -1.185 1.00 0.00 C ATOM 795 O THR A 49 5.996 12.392 -2.335 1.00 0.00 O ATOM 796 CB THR A 49 5.446 11.568 0.939 1.00 0.00 C ATOM 797 OG1 THR A 49 5.402 10.371 0.167 1.00 0.00 O ATOM 798 CG2 THR A 49 4.284 11.420 1.922 1.00 0.00 C ATOM 0 H THR A 49 3.681 11.524 -0.931 1.00 0.00 H new ATOM 0 HA THR A 49 5.278 13.637 0.432 1.00 0.00 H new ATOM 0 HB THR A 49 6.364 11.772 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.548 9.599 0.752 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.503 10.617 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.147 12.354 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.372 11.183 1.374 1.00 0.00 H new ATOM 806 N ASP A 50 7.464 13.156 -0.793 1.00 0.00 N ATOM 807 CA ASP A 50 8.569 13.254 -1.731 1.00 0.00 C ATOM 808 C ASP A 50 9.399 11.970 -1.672 1.00 0.00 C ATOM 809 O ASP A 50 10.572 11.968 -2.041 1.00 0.00 O ATOM 810 CB ASP A 50 9.487 14.427 -1.379 1.00 0.00 C ATOM 811 CG ASP A 50 9.525 15.552 -2.416 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.440 16.108 -2.690 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.639 15.830 -2.910 1.00 0.00 O ATOM 0 H ASP A 50 7.688 13.437 0.161 1.00 0.00 H new ATOM 0 HA ASP A 50 8.153 13.407 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.168 14.844 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.499 14.048 -1.239 1.00 0.00 H new ATOM 818 N ALA A 51 8.756 10.909 -1.205 1.00 0.00 N ATOM 819 CA ALA A 51 9.420 9.622 -1.093 1.00 0.00 C ATOM 820 C ALA A 51 8.791 8.641 -2.085 1.00 0.00 C ATOM 821 O ALA A 51 9.487 8.063 -2.919 1.00 0.00 O ATOM 822 CB ALA A 51 9.334 9.127 0.352 1.00 0.00 C ATOM 0 H ALA A 51 7.783 10.915 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 51 10.477 9.712 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.832 8.161 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.821 9.845 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.288 9.022 0.639 1.00 0.00 H new ATOM 828 N ASN A 52 7.482 8.482 -1.961 1.00 0.00 N ATOM 829 CA ASN A 52 6.751 7.581 -2.836 1.00 0.00 C ATOM 830 C ASN A 52 6.905 8.047 -4.285 1.00 0.00 C ATOM 831 O ASN A 52 7.678 7.469 -5.048 1.00 0.00 O ATOM 832 CB ASN A 52 5.259 7.574 -2.498 1.00 0.00 C ATOM 833 CG ASN A 52 4.450 6.889 -3.600 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.351 7.363 -4.720 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.878 5.749 -3.222 1.00 0.00 N ATOM 0 H ASN A 52 6.908 8.962 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 52 7.156 6.578 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.100 7.058 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.908 8.597 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.316 5.216 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.001 5.408 -2.269 1.00 0.00 H new ATOM 842 N ILE A 53 6.158 9.088 -4.621 1.00 0.00 N ATOM 843 CA ILE A 53 6.202 9.638 -5.965 1.00 0.00 C ATOM 844 C ILE A 53 7.646 9.628 -6.469 1.00 0.00 C ATOM 845 O ILE A 53 7.891 9.435 -7.659 1.00 0.00 O ATOM 846 CB ILE A 53 5.549 11.022 -5.999 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.028 10.907 -6.121 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.150 11.884 -7.110 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.350 12.237 -5.787 1.00 0.00 C ATOM 0 H ILE A 53 5.519 9.565 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 53 5.621 9.019 -6.649 1.00 0.00 H new ATOM 0 HB ILE A 53 5.759 11.523 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.763 10.603 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.663 10.130 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.669 12.862 -7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.219 12.006 -6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.991 11.399 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.270 12.128 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.598 12.525 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.699 13.006 -6.476 1.00 0.00 H new ATOM 861 N LYS A 54 8.566 9.837 -5.538 1.00 0.00 N ATOM 862 CA LYS A 54 9.979 9.853 -5.873 1.00 0.00 C ATOM 863 C LYS A 54 10.521 8.423 -5.852 1.00 0.00 C ATOM 864 O LYS A 54 11.587 8.167 -5.295 1.00 0.00 O ATOM 865 CB LYS A 54 10.737 10.811 -4.951 1.00 0.00 C ATOM 866 CG LYS A 54 10.154 12.223 -5.028 1.00 0.00 C ATOM 867 CD LYS A 54 10.782 13.014 -6.177 1.00 0.00 C ATOM 868 CE LYS A 54 10.379 14.488 -6.113 1.00 0.00 C ATOM 869 NZ LYS A 54 11.544 15.330 -5.760 1.00 0.00 N ATOM 0 H LYS A 54 8.360 9.997 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 54 10.126 10.235 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.687 10.449 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.790 10.833 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.074 12.167 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.327 12.744 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.868 12.928 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.468 12.589 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.974 14.802 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.588 14.623 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.532 16.197 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.498 15.582 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.422 14.804 -5.945 1.00 0.00 H new ATOM 883 N LYS A 55 9.762 7.528 -6.467 1.00 0.00 N ATOM 884 CA LYS A 55 10.152 6.129 -6.526 1.00 0.00 C ATOM 885 C LYS A 55 9.691 5.532 -7.857 1.00 0.00 C ATOM 886 O LYS A 55 10.460 4.853 -8.536 1.00 0.00 O ATOM 887 CB LYS A 55 9.631 5.375 -5.301 1.00 0.00 C ATOM 888 CG LYS A 55 10.518 4.170 -4.981 1.00 0.00 C ATOM 889 CD LYS A 55 11.879 4.618 -4.443 1.00 0.00 C ATOM 890 CE LYS A 55 12.963 4.485 -5.514 1.00 0.00 C ATOM 891 NZ LYS A 55 14.235 4.028 -4.911 1.00 0.00 N ATOM 0 H LYS A 55 8.879 7.744 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 55 11.237 6.034 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.600 6.046 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.609 5.041 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.024 3.535 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.658 3.568 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.819 5.654 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.146 4.017 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.642 3.778 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.113 5.444 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.960 3.943 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.548 4.717 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.092 3.102 -4.459 1.00 0.00 H new ATOM 905 N ASN A 56 8.439 5.806 -8.191 1.00 0.00 N ATOM 906 CA ASN A 56 7.867 5.304 -9.428 1.00 0.00 C ATOM 907 C ASN A 56 8.025 3.783 -9.478 1.00 0.00 C ATOM 908 O ASN A 56 9.025 3.276 -9.984 1.00 0.00 O ATOM 909 CB ASN A 56 8.582 5.895 -10.645 1.00 0.00 C ATOM 910 CG ASN A 56 7.596 6.619 -11.563 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.333 6.209 -12.682 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.066 7.716 -11.030 1.00 0.00 N ATOM 0 H ASN A 56 7.804 6.370 -7.626 1.00 0.00 H new ATOM 0 HA ASN A 56 6.815 5.590 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.354 6.590 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.083 5.100 -11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.396 8.270 -11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.329 8.004 -10.088 1.00 0.00 H new ATOM 919 N VAL A 57 7.024 3.098 -8.947 1.00 0.00 N ATOM 920 CA VAL A 57 7.039 1.645 -8.924 1.00 0.00 C ATOM 921 C VAL A 57 5.724 1.116 -9.499 1.00 0.00 C ATOM 922 O VAL A 57 4.698 1.126 -8.821 1.00 0.00 O ATOM 923 CB VAL A 57 7.315 1.147 -7.504 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.754 0.644 -7.369 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.015 2.236 -6.473 1.00 0.00 C ATOM 0 H VAL A 57 6.196 3.522 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 57 7.844 1.261 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 57 6.648 0.308 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.924 0.296 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.919 -0.178 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.446 1.455 -7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.220 1.856 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.645 3.104 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.966 2.525 -6.544 1.00 0.00 H new ATOM 935 N LEU A 58 5.797 0.668 -10.743 1.00 0.00 N ATOM 936 CA LEU A 58 4.624 0.136 -11.417 1.00 0.00 C ATOM 937 C LEU A 58 4.138 -1.112 -10.677 1.00 0.00 C ATOM 938 O LEU A 58 4.398 -2.234 -11.108 1.00 0.00 O ATOM 939 CB LEU A 58 4.920 -0.105 -12.899 1.00 0.00 C ATOM 940 CG LEU A 58 3.704 -0.345 -13.795 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.337 0.921 -14.573 1.00 0.00 C ATOM 942 CD2 LEU A 58 3.934 -1.541 -14.722 1.00 0.00 C ATOM 0 H LEU A 58 6.650 0.662 -11.303 1.00 0.00 H new ATOM 0 HA LEU A 58 3.810 0.860 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.466 0.756 -13.285 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.583 -0.966 -12.981 1.00 0.00 H new ATOM 0 HG LEU A 58 2.854 -0.589 -13.158 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.469 0.723 -15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.102 1.723 -13.873 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.178 1.220 -15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.055 -1.690 -15.348 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.801 -1.350 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.110 -2.436 -14.125 1.00 0.00 H new ATOM 954 N TRP A 59 3.442 -0.874 -9.575 1.00 0.00 N ATOM 955 CA TRP A 59 2.917 -1.965 -8.771 1.00 0.00 C ATOM 956 C TRP A 59 2.577 -3.123 -9.710 1.00 0.00 C ATOM 957 O TRP A 59 1.945 -2.923 -10.746 1.00 0.00 O ATOM 958 CB TRP A 59 1.723 -1.503 -7.934 1.00 0.00 C ATOM 959 CG TRP A 59 1.991 -0.244 -7.107 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.429 0.965 -7.238 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.919 -0.119 -6.008 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.924 1.856 -6.309 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.859 1.176 -5.537 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.780 -1.069 -5.431 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.635 1.640 -4.468 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.549 -0.590 -4.364 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.500 0.711 -3.878 1.00 0.00 C ATOM 0 H TRP A 59 3.229 0.058 -9.220 1.00 0.00 H new ATOM 0 HA TRP A 59 3.661 -2.308 -8.052 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.878 -1.316 -8.597 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.429 -2.310 -7.263 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.682 1.211 -7.978 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.654 2.834 -6.207 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.843 -2.088 -5.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.570 2.659 -4.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.228 -1.280 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.127 1.004 -3.049 1.00 0.00 H new ATOM 978 N ASP A 60 3.012 -4.311 -9.315 1.00 0.00 N ATOM 979 CA ASP A 60 2.761 -5.502 -10.109 1.00 0.00 C ATOM 980 C ASP A 60 1.980 -6.514 -9.269 1.00 0.00 C ATOM 981 O ASP A 60 0.811 -6.784 -9.544 1.00 0.00 O ATOM 982 CB ASP A 60 4.072 -6.160 -10.543 1.00 0.00 C ATOM 983 CG ASP A 60 4.155 -6.520 -12.028 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.542 -7.545 -12.398 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.828 -5.762 -12.759 1.00 0.00 O ATOM 0 H ASP A 60 3.537 -4.474 -8.456 1.00 0.00 H new ATOM 0 HA ASP A 60 2.196 -5.206 -10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.896 -5.488 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.217 -7.067 -9.956 1.00 0.00 H new ATOM 990 N GLU A 61 2.655 -7.047 -8.261 1.00 0.00 N ATOM 991 CA GLU A 61 2.039 -8.023 -7.380 1.00 0.00 C ATOM 992 C GLU A 61 3.064 -8.553 -6.375 1.00 0.00 C ATOM 993 O GLU A 61 2.722 -8.850 -5.231 1.00 0.00 O ATOM 994 CB GLU A 61 1.414 -9.167 -8.180 1.00 0.00 C ATOM 995 CG GLU A 61 0.966 -10.302 -7.257 1.00 0.00 C ATOM 996 CD GLU A 61 0.051 -11.281 -7.995 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.556 -11.929 -8.938 1.00 0.00 O ATOM 998 OE2 GLU A 61 -1.132 -11.360 -7.600 1.00 0.00 O ATOM 0 H GLU A 61 3.624 -6.821 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 61 1.239 -7.530 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.560 -8.795 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.136 -9.546 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.839 -10.832 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.442 -9.889 -6.395 1.00 0.00 H new ATOM 1005 N ASN A 62 4.301 -8.657 -6.839 1.00 0.00 N ATOM 1006 CA ASN A 62 5.378 -9.146 -5.995 1.00 0.00 C ATOM 1007 C ASN A 62 6.124 -7.956 -5.388 1.00 0.00 C ATOM 1008 O ASN A 62 6.200 -7.824 -4.167 1.00 0.00 O ATOM 1009 CB ASN A 62 6.381 -9.970 -6.805 1.00 0.00 C ATOM 1010 CG ASN A 62 6.002 -11.452 -6.802 1.00 0.00 C ATOM 1011 OD1 ASN A 62 5.863 -12.082 -5.766 1.00 0.00 O ATOM 1012 ND2 ASN A 62 5.842 -11.972 -8.015 1.00 0.00 N ATOM 0 H ASN A 62 4.581 -8.411 -7.788 1.00 0.00 H new ATOM 0 HA ASN A 62 4.940 -9.773 -5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.416 -9.602 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.380 -9.846 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.588 -12.954 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.974 -11.389 -8.841 1.00 0.00 H new ATOM 1019 N ASN A 63 6.657 -7.121 -6.267 1.00 0.00 N ATOM 1020 CA ASN A 63 7.395 -5.947 -5.833 1.00 0.00 C ATOM 1021 C ASN A 63 6.612 -5.238 -4.727 1.00 0.00 C ATOM 1022 O ASN A 63 7.174 -4.888 -3.690 1.00 0.00 O ATOM 1023 CB ASN A 63 7.585 -4.959 -6.985 1.00 0.00 C ATOM 1024 CG ASN A 63 6.236 -4.495 -7.538 1.00 0.00 C ATOM 1025 OD1 ASN A 63 5.233 -5.184 -7.459 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.268 -3.290 -8.100 1.00 0.00 N ATOM 0 H ASN A 63 6.593 -7.234 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 63 8.371 -6.276 -5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.156 -4.097 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.166 -5.428 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.418 -2.890 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.142 -2.766 -8.133 1.00 0.00 H new ATOM 1033 N MET A 64 5.326 -5.048 -4.985 1.00 0.00 N ATOM 1034 CA MET A 64 4.460 -4.387 -4.023 1.00 0.00 C ATOM 1035 C MET A 64 4.698 -4.924 -2.611 1.00 0.00 C ATOM 1036 O MET A 64 4.628 -4.175 -1.638 1.00 0.00 O ATOM 1037 CB MET A 64 2.998 -4.610 -4.415 1.00 0.00 C ATOM 1038 CG MET A 64 2.053 -3.974 -3.394 1.00 0.00 C ATOM 1039 SD MET A 64 1.581 -2.339 -3.935 1.00 0.00 S ATOM 1040 CE MET A 64 0.361 -2.761 -5.167 1.00 0.00 C ATOM 0 H MET A 64 4.863 -5.340 -5.846 1.00 0.00 H new ATOM 0 HA MET A 64 4.689 -3.321 -4.029 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.813 -4.184 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.796 -5.679 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.166 -4.595 -3.271 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.541 -3.917 -2.421 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.001 -1.852 -5.647 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.811 -3.412 -5.916 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.473 -3.277 -4.691 1.00 0.00 H new ATOM 1050 N SER A 65 4.975 -6.218 -2.543 1.00 0.00 N ATOM 1051 CA SER A 65 5.224 -6.864 -1.266 1.00 0.00 C ATOM 1052 C SER A 65 6.549 -6.373 -0.680 1.00 0.00 C ATOM 1053 O SER A 65 6.609 -5.977 0.483 1.00 0.00 O ATOM 1054 CB SER A 65 5.240 -8.387 -1.413 1.00 0.00 C ATOM 1055 OG SER A 65 6.500 -8.865 -1.877 1.00 0.00 O ATOM 0 H SER A 65 5.032 -6.836 -3.352 1.00 0.00 H new ATOM 0 HA SER A 65 4.414 -6.600 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.009 -8.847 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.458 -8.692 -2.108 1.00 0.00 H new ATOM 0 HG SER A 65 6.544 -8.779 -2.852 1.00 0.00 H new ATOM 1061 N GLU A 66 7.579 -6.415 -1.513 1.00 0.00 N ATOM 1062 CA GLU A 66 8.900 -5.979 -1.092 1.00 0.00 C ATOM 1063 C GLU A 66 8.788 -4.770 -0.162 1.00 0.00 C ATOM 1064 O GLU A 66 9.469 -4.705 0.861 1.00 0.00 O ATOM 1065 CB GLU A 66 9.783 -5.662 -2.301 1.00 0.00 C ATOM 1066 CG GLU A 66 11.193 -6.225 -2.113 1.00 0.00 C ATOM 1067 CD GLU A 66 11.945 -6.276 -3.444 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.666 -5.397 -4.288 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.782 -7.193 -3.588 1.00 0.00 O ATOM 0 H GLU A 66 7.525 -6.744 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 66 9.373 -6.793 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.337 -6.083 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.835 -4.583 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.744 -5.607 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.135 -7.226 -1.686 1.00 0.00 H new ATOM 1076 N TYR A 67 7.925 -3.842 -0.549 1.00 0.00 N ATOM 1077 CA TYR A 67 7.716 -2.639 0.237 1.00 0.00 C ATOM 1078 C TYR A 67 6.796 -2.915 1.428 1.00 0.00 C ATOM 1079 O TYR A 67 7.136 -2.597 2.567 1.00 0.00 O ATOM 1080 CB TYR A 67 7.034 -1.637 -0.697 1.00 0.00 C ATOM 1081 CG TYR A 67 7.631 -1.594 -2.105 1.00 0.00 C ATOM 1082 CD1 TYR A 67 8.680 -0.742 -2.384 1.00 0.00 C ATOM 1083 CD2 TYR A 67 7.120 -2.407 -3.096 1.00 0.00 C ATOM 1084 CE1 TYR A 67 9.241 -0.701 -3.710 1.00 0.00 C ATOM 1085 CE2 TYR A 67 7.682 -2.367 -4.422 1.00 0.00 C ATOM 1086 CZ TYR A 67 8.715 -1.515 -4.663 1.00 0.00 C ATOM 1087 OH TYR A 67 9.245 -1.477 -5.915 1.00 0.00 O ATOM 0 H TYR A 67 7.362 -3.900 -1.398 1.00 0.00 H new ATOM 0 HA TYR A 67 8.663 -2.268 0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.975 -1.886 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.098 -0.642 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.080 -0.106 -1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.299 -3.073 -2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.061 -0.038 -3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.292 -2.999 -5.207 1.00 0.00 H new ATOM 0 HH TYR A 67 10.146 -1.093 -5.877 1.00 0.00 H new ATOM 1097 N LEU A 68 5.650 -3.506 1.125 1.00 0.00 N ATOM 1098 CA LEU A 68 4.678 -3.829 2.156 1.00 0.00 C ATOM 1099 C LEU A 68 5.406 -4.394 3.377 1.00 0.00 C ATOM 1100 O LEU A 68 4.947 -4.234 4.507 1.00 0.00 O ATOM 1101 CB LEU A 68 3.596 -4.757 1.601 1.00 0.00 C ATOM 1102 CG LEU A 68 2.577 -4.111 0.660 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.786 -5.174 -0.105 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.659 -3.152 1.421 1.00 0.00 C ATOM 0 H LEU A 68 5.372 -3.770 0.180 1.00 0.00 H new ATOM 0 HA LEU A 68 4.156 -2.930 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.084 -5.575 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.058 -5.198 2.440 1.00 0.00 H new ATOM 0 HG LEU A 68 3.120 -3.520 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.069 -4.688 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.471 -5.782 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.254 -5.811 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.944 -2.706 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.121 -3.700 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.256 -2.365 1.882 1.00 0.00 H new ATOM 1116 N THR A 69 6.529 -5.044 3.108 1.00 0.00 N ATOM 1117 CA THR A 69 7.325 -5.634 4.171 1.00 0.00 C ATOM 1118 C THR A 69 8.378 -4.640 4.663 1.00 0.00 C ATOM 1119 O THR A 69 8.662 -4.572 5.858 1.00 0.00 O ATOM 1120 CB THR A 69 7.922 -6.941 3.644 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.698 -7.432 4.734 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.947 -6.710 2.532 1.00 0.00 C ATOM 0 H THR A 69 6.906 -5.175 2.169 1.00 0.00 H new ATOM 0 HA THR A 69 6.712 -5.867 5.042 1.00 0.00 H new ATOM 0 HB THR A 69 7.122 -7.582 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.102 -7.794 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.339 -7.669 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.469 -6.199 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.764 -6.097 2.912 1.00 0.00 H new ATOM 1130 N ASN A 70 8.929 -3.894 3.718 1.00 0.00 N ATOM 1131 CA ASN A 70 9.945 -2.906 4.040 1.00 0.00 C ATOM 1132 C ASN A 70 9.596 -1.580 3.361 1.00 0.00 C ATOM 1133 O ASN A 70 10.298 -1.141 2.451 1.00 0.00 O ATOM 1134 CB ASN A 70 11.321 -3.347 3.538 1.00 0.00 C ATOM 1135 CG ASN A 70 12.429 -2.856 4.472 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.210 -2.068 5.377 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.628 -3.363 4.202 1.00 0.00 N ATOM 0 H ASN A 70 8.691 -3.954 2.728 1.00 0.00 H new ATOM 0 HA ASN A 70 9.975 -2.795 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.355 -4.434 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.488 -2.957 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.434 -3.096 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.742 -4.019 3.429 1.00 0.00 H new ATOM 1144 N PRO A 71 8.482 -0.964 3.840 1.00 0.00 N ATOM 1145 CA PRO A 71 8.031 0.302 3.289 1.00 0.00 C ATOM 1146 C PRO A 71 8.917 1.455 3.767 1.00 0.00 C ATOM 1147 O PRO A 71 9.044 2.410 3.020 1.00 0.00 O ATOM 1148 CB PRO A 71 6.587 0.436 3.742 1.00 0.00 C ATOM 1149 CG PRO A 71 6.425 -0.524 4.909 1.00 0.00 C ATOM 1150 CD PRO A 71 7.626 -1.455 4.916 1.00 0.00 C ATOM 0 HA PRO A 71 8.098 0.335 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.366 1.460 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.899 0.187 2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.362 0.025 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.501 -1.094 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.142 -1.429 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.327 -2.489 4.743 1.00 0.00 H new HETATM 1158 N M3L A 72 9.460 1.285 4.962 1.00 0.00 N HETATM 1159 CA M3L A 72 10.309 2.318 5.591 1.00 0.00 C HETATM 1160 CB M3L A 72 10.079 2.285 7.116 1.00 0.00 C HETATM 1161 CG M3L A 72 9.878 3.756 7.484 1.00 0.00 C HETATM 1162 CD M3L A 72 9.405 3.935 8.939 1.00 0.00 C HETATM 1163 CE M3L A 72 9.172 5.447 9.124 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.742 5.792 9.121 1.00 0.00 N HETATM 1165 C M3L A 72 11.792 2.206 5.358 1.00 0.00 C HETATM 1166 O M3L A 72 12.589 2.923 5.960 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.283 5.188 10.395 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.603 7.262 9.131 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.051 5.218 7.955 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.500 5.603 7.040 1.00 0.00 H new HETATM 0 HM32 M3L A 72 7.143 4.132 7.975 1.00 0.00 H new HETATM 0 HM31 M3L A 72 5.997 5.493 7.985 1.00 0.00 H new HETATM 0 HM23 M3L A 72 8.077 7.666 10.026 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.084 7.679 8.246 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.546 7.528 9.129 1.00 0.00 H new HETATM 0 HM13 M3L A 72 7.465 4.114 10.375 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.830 5.633 11.226 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.216 5.373 10.522 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.814 4.296 7.340 1.00 0.00 H new HETATM 0 HG2 M3L A 72 9.146 4.200 6.809 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.620 5.770 10.064 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.677 5.991 8.326 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.489 3.373 9.124 1.00 0.00 H new HETATM 0 HD2 M3L A 72 10.153 3.566 9.641 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.208 1.684 7.377 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.932 1.854 7.640 1.00 0.00 H new HETATM 0 HA M3L A 72 10.003 3.249 5.113 1.00 0.00 H new HETATM 0 H M3L A 72 8.856 0.700 5.540 1.00 0.00 H new ATOM 1189 N LYS A 73 12.124 1.357 4.396 1.00 0.00 N ATOM 1190 CA LYS A 73 13.506 1.211 3.971 1.00 0.00 C ATOM 1191 C LYS A 73 13.633 1.640 2.508 1.00 0.00 C ATOM 1192 O LYS A 73 14.432 2.517 2.181 1.00 0.00 O ATOM 1193 CB LYS A 73 14.001 -0.211 4.240 1.00 0.00 C ATOM 1194 CG LYS A 73 15.515 -0.311 4.039 1.00 0.00 C ATOM 1195 CD LYS A 73 15.848 -0.842 2.643 1.00 0.00 C ATOM 1196 CE LYS A 73 17.231 -1.496 2.621 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.283 -0.493 2.897 1.00 0.00 N ATOM 0 H LYS A 73 11.460 0.763 3.899 1.00 0.00 H new ATOM 0 HA LYS A 73 14.155 1.865 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.746 -0.502 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.495 -0.909 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.970 0.670 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.943 -0.970 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.094 -1.567 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.817 -0.025 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.275 -2.292 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.406 -1.957 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.219 -0.935 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.197 0.295 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.174 -0.133 3.867 1.00 0.00 H new ATOM 1211 N TYR A 74 12.833 1.002 1.666 1.00 0.00 N ATOM 1212 CA TYR A 74 12.846 1.307 0.245 1.00 0.00 C ATOM 1213 C TYR A 74 12.421 2.754 -0.009 1.00 0.00 C ATOM 1214 O TYR A 74 13.025 3.448 -0.825 1.00 0.00 O ATOM 1215 CB TYR A 74 11.824 0.367 -0.397 1.00 0.00 C ATOM 1216 CG TYR A 74 12.004 0.188 -1.906 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.935 1.284 -2.743 1.00 0.00 C ATOM 1218 CD2 TYR A 74 12.236 -1.067 -2.430 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.105 1.116 -4.163 1.00 0.00 C ATOM 1220 CE2 TYR A 74 12.406 -1.235 -3.850 1.00 0.00 C ATOM 1221 CZ TYR A 74 12.332 -0.135 -4.646 1.00 0.00 C ATOM 1222 OH TYR A 74 12.492 -0.293 -5.988 1.00 0.00 O ATOM 0 H TYR A 74 12.172 0.275 1.940 1.00 0.00 H new ATOM 0 HA TYR A 74 13.847 1.179 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.890 -0.609 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.822 0.750 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.754 2.267 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.290 -1.924 -1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.053 1.964 -4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.588 -2.212 -4.273 1.00 0.00 H new ATOM 0 HH TYR A 74 12.648 -1.239 -6.190 1.00 0.00 H new ATOM 1232 N ILE A 75 11.383 3.166 0.704 1.00 0.00 N ATOM 1233 CA ILE A 75 10.869 4.518 0.566 1.00 0.00 C ATOM 1234 C ILE A 75 11.395 5.379 1.716 1.00 0.00 C ATOM 1235 O ILE A 75 10.978 5.213 2.861 1.00 0.00 O ATOM 1236 CB ILE A 75 9.343 4.503 0.456 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.883 3.570 -0.665 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.792 5.920 0.285 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.378 3.307 -0.577 1.00 0.00 C ATOM 0 H ILE A 75 10.884 2.587 1.379 1.00 0.00 H new ATOM 0 HA ILE A 75 11.227 4.969 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 75 8.937 4.110 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.123 4.012 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.425 2.626 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.705 5.881 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.074 6.526 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.203 6.363 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.077 2.641 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.145 2.843 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.838 4.250 -0.664 1.00 0.00 H new ATOM 1251 N PRO A 76 12.327 6.304 1.362 1.00 0.00 N ATOM 1252 CA PRO A 76 12.915 7.191 2.352 1.00 0.00 C ATOM 1253 C PRO A 76 11.929 8.289 2.758 1.00 0.00 C ATOM 1254 O PRO A 76 11.649 9.196 1.976 1.00 0.00 O ATOM 1255 CB PRO A 76 14.173 7.736 1.695 1.00 0.00 C ATOM 1256 CG PRO A 76 13.999 7.500 0.204 1.00 0.00 C ATOM 1257 CD PRO A 76 12.845 6.529 0.016 1.00 0.00 C ATOM 0 HA PRO A 76 13.158 6.680 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.298 8.797 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.061 7.228 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.795 8.439 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.914 7.093 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.079 6.946 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.181 5.598 -0.440 1.00 0.00 H new ATOM 1265 N GLY A 77 11.430 8.170 3.979 1.00 0.00 N ATOM 1266 CA GLY A 77 10.482 9.141 4.498 1.00 0.00 C ATOM 1267 C GLY A 77 9.073 8.868 3.969 1.00 0.00 C ATOM 1268 O GLY A 77 8.448 9.745 3.374 1.00 0.00 O ATOM 0 H GLY A 77 11.664 7.416 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.479 9.105 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.793 10.146 4.213 1.00 0.00 H new ATOM 1272 N THR A 78 8.613 7.648 4.206 1.00 0.00 N ATOM 1273 CA THR A 78 7.289 7.248 3.761 1.00 0.00 C ATOM 1274 C THR A 78 6.266 7.448 4.882 1.00 0.00 C ATOM 1275 O THR A 78 6.255 6.699 5.857 1.00 0.00 O ATOM 1276 CB THR A 78 7.373 5.803 3.266 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.111 5.576 2.642 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.409 4.792 4.413 1.00 0.00 C ATOM 0 H THR A 78 9.134 6.924 4.700 1.00 0.00 H new ATOM 0 HA THR A 78 6.945 7.870 2.935 1.00 0.00 H new ATOM 0 HB THR A 78 8.263 5.682 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.080 4.662 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.469 3.782 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.280 4.983 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.504 4.889 5.012 1.00 0.00 H new ATOM 1286 N LYS A 79 5.433 8.462 4.704 1.00 0.00 N ATOM 1287 CA LYS A 79 4.409 8.770 5.688 1.00 0.00 C ATOM 1288 C LYS A 79 3.802 7.467 6.211 1.00 0.00 C ATOM 1289 O LYS A 79 3.361 7.399 7.358 1.00 0.00 O ATOM 1290 CB LYS A 79 3.378 9.738 5.104 1.00 0.00 C ATOM 1291 CG LYS A 79 2.320 10.108 6.147 1.00 0.00 C ATOM 1292 CD LYS A 79 2.746 11.342 6.945 1.00 0.00 C ATOM 1293 CE LYS A 79 2.100 12.609 6.381 1.00 0.00 C ATOM 1294 NZ LYS A 79 1.822 13.576 7.467 1.00 0.00 N ATOM 0 H LYS A 79 5.446 9.081 3.893 1.00 0.00 H new ATOM 0 HA LYS A 79 4.846 9.285 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.879 10.640 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.897 9.283 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.368 10.301 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.163 9.269 6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.463 11.219 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.831 11.440 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.760 13.063 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.173 12.354 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.384 14.430 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.175 13.146 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.712 13.832 7.940 1.00 0.00 H new ATOM 1308 N MET A 80 3.798 6.464 5.346 1.00 0.00 N ATOM 1309 CA MET A 80 3.252 5.166 5.706 1.00 0.00 C ATOM 1310 C MET A 80 4.001 4.569 6.898 1.00 0.00 C ATOM 1311 O MET A 80 4.975 3.838 6.722 1.00 0.00 O ATOM 1312 CB MET A 80 3.357 4.218 4.509 1.00 0.00 C ATOM 1313 CG MET A 80 2.873 2.815 4.878 1.00 0.00 C ATOM 1314 SD MET A 80 2.486 1.894 3.399 1.00 0.00 S ATOM 1315 CE MET A 80 2.518 0.232 4.051 1.00 0.00 C ATOM 0 H MET A 80 4.164 6.524 4.396 1.00 0.00 H new ATOM 0 HA MET A 80 2.207 5.297 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.764 4.605 3.681 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.391 4.172 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.642 2.295 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.992 2.881 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.982 -0.434 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.551 -0.102 4.145 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.041 0.216 5.031 1.00 0.00 H new ATOM 1325 N ALA A 81 3.518 4.901 8.087 1.00 0.00 N ATOM 1326 CA ALA A 81 4.130 4.406 9.308 1.00 0.00 C ATOM 1327 C ALA A 81 3.493 3.067 9.686 1.00 0.00 C ATOM 1328 O ALA A 81 2.803 2.968 10.699 1.00 0.00 O ATOM 1329 CB ALA A 81 3.983 5.454 10.413 1.00 0.00 C ATOM 0 H ALA A 81 2.710 5.507 8.230 1.00 0.00 H new ATOM 0 HA ALA A 81 5.196 4.234 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.442 5.083 11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.477 6.377 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.926 5.650 10.590 1.00 0.00 H new ATOM 1335 N PHE A 82 3.747 2.071 8.850 1.00 0.00 N ATOM 1336 CA PHE A 82 3.207 0.742 9.084 1.00 0.00 C ATOM 1337 C PHE A 82 4.236 -0.153 9.777 1.00 0.00 C ATOM 1338 O PHE A 82 5.431 -0.063 9.500 1.00 0.00 O ATOM 1339 CB PHE A 82 2.873 0.148 7.714 1.00 0.00 C ATOM 1340 CG PHE A 82 2.666 -1.368 7.727 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.638 -1.908 8.436 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.510 -2.175 7.030 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.446 -3.315 8.448 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.318 -3.582 7.042 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.290 -4.122 7.751 1.00 0.00 C ATOM 0 H PHE A 82 4.319 2.157 8.010 1.00 0.00 H new ATOM 0 HA PHE A 82 2.328 0.805 9.726 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.970 0.625 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.678 0.389 7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.968 -1.267 8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.326 -1.746 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.630 -3.744 9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.988 -4.223 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.144 -5.192 7.760 1.00 0.00 H new ATOM 1355 N GLY A 83 3.734 -0.998 10.667 1.00 0.00 N ATOM 1356 CA GLY A 83 4.595 -1.909 11.402 1.00 0.00 C ATOM 1357 C GLY A 83 5.561 -2.631 10.461 1.00 0.00 C ATOM 1358 O GLY A 83 6.733 -2.270 10.371 1.00 0.00 O ATOM 0 H GLY A 83 2.742 -1.070 10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.159 -1.356 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.987 -2.640 11.935 1.00 0.00 H new ATOM 1362 N GLY A 84 5.032 -3.639 9.782 1.00 0.00 N ATOM 1363 CA GLY A 84 5.833 -4.415 8.850 1.00 0.00 C ATOM 1364 C GLY A 84 5.552 -5.911 9.000 1.00 0.00 C ATOM 1365 O GLY A 84 5.946 -6.525 9.990 1.00 0.00 O ATOM 0 H GLY A 84 4.059 -3.936 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.616 -4.101 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.891 -4.221 9.025 1.00 0.00 H new ATOM 1369 N LEU A 85 4.871 -6.456 8.002 1.00 0.00 N ATOM 1370 CA LEU A 85 4.533 -7.869 8.010 1.00 0.00 C ATOM 1371 C LEU A 85 5.694 -8.671 7.418 1.00 0.00 C ATOM 1372 O LEU A 85 6.202 -8.337 6.349 1.00 0.00 O ATOM 1373 CB LEU A 85 3.198 -8.104 7.301 1.00 0.00 C ATOM 1374 CG LEU A 85 1.942 -7.746 8.098 1.00 0.00 C ATOM 1375 CD1 LEU A 85 0.829 -7.248 7.173 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.486 -8.924 8.961 1.00 0.00 C ATOM 0 H LEU A 85 4.544 -5.944 7.182 1.00 0.00 H new ATOM 0 HA LEU A 85 4.391 -8.221 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.194 -7.527 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.139 -9.156 7.021 1.00 0.00 H new ATOM 0 HG LEU A 85 2.188 -6.928 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.052 -7.000 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.169 -6.360 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.576 -8.028 6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.592 -8.643 9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.262 -9.778 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.279 -9.191 9.660 1.00 0.00 H new ATOM 1388 N LYS A 86 6.079 -9.713 8.140 1.00 0.00 N ATOM 1389 CA LYS A 86 7.171 -10.565 7.699 1.00 0.00 C ATOM 1390 C LYS A 86 6.740 -12.030 7.795 1.00 0.00 C ATOM 1391 O LYS A 86 7.448 -12.852 8.373 1.00 0.00 O ATOM 1392 CB LYS A 86 8.448 -10.247 8.480 1.00 0.00 C ATOM 1393 CG LYS A 86 8.302 -10.640 9.952 1.00 0.00 C ATOM 1394 CD LYS A 86 8.141 -9.403 10.837 1.00 0.00 C ATOM 1395 CE LYS A 86 9.236 -9.346 11.904 1.00 0.00 C ATOM 1396 NZ LYS A 86 9.073 -10.452 12.873 1.00 0.00 N ATOM 0 H LYS A 86 5.655 -9.987 9.026 1.00 0.00 H new ATOM 0 HA LYS A 86 7.408 -10.370 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.290 -10.780 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.669 -9.182 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.438 -11.293 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.177 -11.207 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.180 -8.504 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.162 -9.419 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.216 -9.410 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.195 -8.389 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.675 -10.278 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.079 -10.507 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.350 -11.349 12.426 1.00 0.00 H new ATOM 1410 N LYS A 87 5.580 -12.311 7.220 1.00 0.00 N ATOM 1411 CA LYS A 87 5.046 -13.662 7.234 1.00 0.00 C ATOM 1412 C LYS A 87 4.580 -14.036 5.826 1.00 0.00 C ATOM 1413 O LYS A 87 3.406 -13.881 5.494 1.00 0.00 O ATOM 1414 CB LYS A 87 3.954 -13.796 8.298 1.00 0.00 C ATOM 1415 CG LYS A 87 4.518 -13.536 9.697 1.00 0.00 C ATOM 1416 CD LYS A 87 5.367 -14.716 10.174 1.00 0.00 C ATOM 1417 CE LYS A 87 5.745 -14.559 11.648 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.131 -15.021 11.880 1.00 0.00 N ATOM 0 H LYS A 87 4.995 -11.626 6.741 1.00 0.00 H new ATOM 0 HA LYS A 87 5.822 -14.375 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.149 -13.091 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.521 -14.795 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.123 -12.629 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.700 -13.366 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.816 -15.646 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.271 -14.787 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.649 -13.515 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.056 -15.131 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.371 -14.907 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.211 -16.024 11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.786 -14.457 11.302 1.00 0.00 H new ATOM 1432 N GLU A 88 5.525 -14.522 5.034 1.00 0.00 N ATOM 1433 CA GLU A 88 5.227 -14.919 3.669 1.00 0.00 C ATOM 1434 C GLU A 88 3.859 -15.601 3.601 1.00 0.00 C ATOM 1435 O GLU A 88 3.173 -15.527 2.583 1.00 0.00 O ATOM 1436 CB GLU A 88 6.322 -15.830 3.111 1.00 0.00 C ATOM 1437 CG GLU A 88 7.329 -15.033 2.280 1.00 0.00 C ATOM 1438 CD GLU A 88 8.289 -15.965 1.539 1.00 0.00 C ATOM 1439 OE1 GLU A 88 7.889 -16.449 0.458 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.401 -16.173 2.070 1.00 0.00 O ATOM 0 H GLU A 88 6.498 -14.650 5.312 1.00 0.00 H new ATOM 0 HA GLU A 88 5.196 -14.023 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.837 -16.330 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.873 -16.609 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.799 -14.407 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.894 -14.365 2.930 1.00 0.00 H new ATOM 1447 N LYS A 89 3.502 -16.250 4.700 1.00 0.00 N ATOM 1448 CA LYS A 89 2.229 -16.945 4.779 1.00 0.00 C ATOM 1449 C LYS A 89 1.100 -15.974 4.427 1.00 0.00 C ATOM 1450 O LYS A 89 0.507 -16.068 3.353 1.00 0.00 O ATOM 1451 CB LYS A 89 2.064 -17.609 6.147 1.00 0.00 C ATOM 1452 CG LYS A 89 3.321 -18.393 6.531 1.00 0.00 C ATOM 1453 CD LYS A 89 3.017 -19.887 6.658 1.00 0.00 C ATOM 1454 CE LYS A 89 3.586 -20.665 5.470 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.066 -20.669 5.513 1.00 0.00 N ATOM 0 H LYS A 89 4.073 -16.309 5.543 1.00 0.00 H new ATOM 0 HA LYS A 89 2.192 -17.755 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.860 -16.849 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.204 -18.279 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.095 -18.238 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.715 -18.017 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.442 -20.271 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.939 -20.039 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.213 -21.689 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.245 -20.216 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.426 -21.490 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.428 -19.795 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.384 -20.724 6.502 1.00 0.00 H new ATOM 1469 N ASP A 90 0.837 -15.062 5.352 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.210 -14.075 5.153 1.00 0.00 C ATOM 1471 C ASP A 90 0.149 -13.192 3.956 1.00 0.00 C ATOM 1472 O ASP A 90 -0.650 -13.037 3.033 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.355 -13.171 6.379 1.00 0.00 C ATOM 1474 CG ASP A 90 -1.507 -13.535 7.318 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -2.285 -14.438 6.938 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -1.585 -12.903 8.393 1.00 0.00 O ATOM 0 H ASP A 90 1.331 -14.986 6.241 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.146 -14.606 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.577 -13.198 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.493 -12.144 6.040 1.00 0.00 H new ATOM 1481 N ARG A 91 1.350 -12.636 4.009 1.00 0.00 N ATOM 1482 CA ARG A 91 1.824 -11.773 2.941 1.00 0.00 C ATOM 1483 C ARG A 91 1.429 -12.348 1.579 1.00 0.00 C ATOM 1484 O ARG A 91 0.972 -11.617 0.702 1.00 0.00 O ATOM 1485 CB ARG A 91 3.345 -11.612 2.996 1.00 0.00 C ATOM 1486 CG ARG A 91 3.784 -11.014 4.334 1.00 0.00 C ATOM 1487 CD ARG A 91 5.276 -10.675 4.320 1.00 0.00 C ATOM 1488 NE ARG A 91 5.612 -9.922 3.091 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.838 -9.874 2.552 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.851 -10.533 3.129 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.051 -9.165 1.434 1.00 0.00 N ATOM 0 H ARG A 91 2.010 -12.767 4.776 1.00 0.00 H new ATOM 0 HA ARG A 91 1.361 -10.795 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.822 -12.581 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.676 -10.970 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.205 -10.114 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.575 -11.720 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.531 -10.084 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.866 -11.590 4.368 1.00 0.00 H new ATOM 0 HE ARG A 91 4.864 -9.408 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.690 -11.072 3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.784 -10.496 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.280 -8.662 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.984 -9.128 1.023 1.00 0.00 H new ATOM 1505 N ASN A 92 1.618 -13.653 1.446 1.00 0.00 N ATOM 1506 CA ASN A 92 1.287 -14.334 0.206 1.00 0.00 C ATOM 1507 C ASN A 92 -0.214 -14.201 -0.059 1.00 0.00 C ATOM 1508 O ASN A 92 -0.626 -13.905 -1.179 1.00 0.00 O ATOM 1509 CB ASN A 92 1.621 -15.825 0.290 1.00 0.00 C ATOM 1510 CG ASN A 92 3.112 -16.067 0.045 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.865 -15.170 -0.298 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.495 -17.326 0.239 1.00 0.00 N ATOM 0 H ASN A 92 1.996 -14.256 2.176 1.00 0.00 H new ATOM 0 HA ASN A 92 1.870 -13.878 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.343 -16.209 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.034 -16.375 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.471 -17.589 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.813 -18.028 0.526 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.990 -14.425 0.991 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.436 -14.334 0.886 1.00 0.00 C ATOM 1521 C ASP A 93 -2.835 -12.876 0.646 1.00 0.00 C ATOM 1522 O ASP A 93 -3.550 -12.574 -0.308 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.113 -14.802 2.176 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.749 -16.221 2.619 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -1.597 -16.622 2.349 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -3.632 -16.872 3.217 1.00 0.00 O ATOM 0 H ASP A 93 -0.644 -14.669 1.919 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.754 -14.970 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.853 -14.110 2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.193 -14.745 2.043 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.354 -12.012 1.527 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.652 -10.593 1.423 1.00 0.00 C ATOM 1533 C LEU A 94 -2.594 -10.172 -0.047 1.00 0.00 C ATOM 1534 O LEU A 94 -3.628 -9.927 -0.667 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.725 -9.783 2.331 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.321 -8.509 2.932 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.483 -7.424 1.866 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -3.638 -8.806 3.652 1.00 0.00 C ATOM 0 H LEU A 94 -1.760 -12.267 2.316 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.663 -10.389 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.395 -10.426 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.837 -9.511 1.761 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.625 -8.126 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.909 -6.529 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.509 -7.186 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.147 -7.783 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.040 -7.883 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.353 -9.226 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.460 -9.521 4.455 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.375 -10.099 -0.562 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.170 -9.712 -1.947 1.00 0.00 C ATOM 1552 C ILE A 95 -2.255 -10.348 -2.817 1.00 0.00 C ATOM 1553 O ILE A 95 -2.657 -9.779 -3.831 1.00 0.00 O ATOM 1554 CB ILE A 95 0.254 -10.052 -2.393 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.285 -9.249 -1.597 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.417 -9.857 -3.901 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.546 -10.076 -1.342 1.00 0.00 C ATOM 0 H ILE A 95 -0.520 -10.301 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.265 -8.632 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 95 0.435 -11.106 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.545 -8.342 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.853 -8.936 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.438 -10.105 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.279 -10.508 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.209 -8.818 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.262 -9.482 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.286 -10.970 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.989 -10.366 -2.294 1.00 0.00 H new ATOM 1569 N THR A 96 -2.700 -11.521 -2.389 1.00 0.00 N ATOM 1570 CA THR A 96 -3.731 -12.241 -3.116 1.00 0.00 C ATOM 1571 C THR A 96 -5.108 -11.640 -2.825 1.00 0.00 C ATOM 1572 O THR A 96 -5.868 -11.345 -3.745 1.00 0.00 O ATOM 1573 CB THR A 96 -3.624 -13.721 -2.746 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.286 -14.362 -3.974 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.976 -14.330 -2.369 1.00 0.00 C ATOM 0 H THR A 96 -2.365 -11.990 -1.548 1.00 0.00 H new ATOM 0 HA THR A 96 -3.592 -12.149 -4.193 1.00 0.00 H new ATOM 0 HB THR A 96 -2.929 -13.838 -1.915 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.047 -14.895 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.843 -15.382 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.388 -13.799 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.662 -14.244 -3.212 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.386 -11.476 -1.540 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.658 -10.915 -1.115 1.00 0.00 C ATOM 1585 C TYR A 97 -6.812 -9.474 -1.604 1.00 0.00 C ATOM 1586 O TYR A 97 -7.893 -9.071 -2.031 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.632 -10.923 0.415 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.895 -10.349 1.061 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.038 -11.118 1.143 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.891 -9.063 1.561 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.227 -10.578 1.751 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.079 -8.524 2.169 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.189 -9.308 2.234 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.311 -8.798 2.809 1.00 0.00 O ATOM 0 H TYR A 97 -4.753 -11.722 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.488 -11.493 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.493 -11.947 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.769 -10.351 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.041 -12.124 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.997 -8.461 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.128 -11.169 1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.089 -7.519 2.565 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.137 -7.882 3.110 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.715 -8.735 -1.525 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.714 -7.347 -1.954 1.00 0.00 C ATOM 1606 C LEU A 98 -5.990 -7.282 -3.457 1.00 0.00 C ATOM 1607 O LEU A 98 -6.863 -6.538 -3.901 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.414 -6.658 -1.537 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.567 -5.326 -0.800 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.632 -5.257 0.409 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.361 -4.146 -1.752 1.00 0.00 C ATOM 0 H LEU A 98 -4.820 -9.072 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.513 -6.795 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.853 -7.341 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.813 -6.489 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.587 -5.261 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.761 -4.300 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.869 -6.067 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.599 -5.355 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.475 -3.211 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.360 -4.195 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.101 -4.190 -2.551 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.228 -8.072 -4.201 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.380 -8.113 -5.645 1.00 0.00 C ATOM 1625 C LYS A 99 -6.865 -8.226 -5.995 1.00 0.00 C ATOM 1626 O LYS A 99 -7.307 -7.701 -7.016 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.521 -9.230 -6.242 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.486 -9.140 -7.769 1.00 0.00 C ATOM 1629 CD LYS A 99 -5.335 -10.244 -8.403 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.465 -11.205 -9.215 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.061 -12.560 -9.226 1.00 0.00 N ATOM 0 H LYS A 99 -4.504 -8.688 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.017 -7.188 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.507 -9.164 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.918 -10.199 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.854 -8.165 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.457 -9.222 -8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.863 -10.795 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.093 -9.800 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.363 -10.838 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.462 -11.246 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.458 -13.200 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.136 -12.914 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.008 -12.519 -9.653 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.594 -8.913 -5.129 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.020 -9.101 -5.334 1.00 0.00 C ATOM 1647 C LYS A 100 -9.771 -7.869 -4.824 1.00 0.00 C ATOM 1648 O LYS A 100 -10.443 -7.185 -5.595 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.485 -10.412 -4.696 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.949 -10.698 -5.036 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.058 -11.671 -6.212 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.521 -11.991 -6.525 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.164 -10.853 -7.218 1.00 0.00 N ATOM 0 H LYS A 100 -7.224 -9.347 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.243 -9.194 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.859 -11.233 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.363 -10.358 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.453 -11.116 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.458 -9.766 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.580 -11.239 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.523 -12.591 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.579 -12.883 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.057 -12.212 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.156 -11.087 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.126 -10.010 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.663 -10.661 -8.109 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.631 -7.624 -3.530 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.287 -6.486 -2.909 1.00 0.00 C ATOM 1669 C ALA A 101 -10.087 -5.247 -3.784 1.00 0.00 C ATOM 1670 O ALA A 101 -11.056 -4.618 -4.206 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.743 -6.293 -1.492 1.00 0.00 C ATOM 0 H ALA A 101 -9.073 -8.194 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.360 -6.661 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.235 -5.439 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.937 -7.189 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.669 -6.113 -1.536 1.00 0.00 H new ATOM 1677 N SER A 102 -8.824 -4.933 -4.030 1.00 0.00 N ATOM 1678 CA SER A 102 -8.484 -3.781 -4.847 1.00 0.00 C ATOM 1679 C SER A 102 -9.293 -3.804 -6.146 1.00 0.00 C ATOM 1680 O SER A 102 -9.550 -2.758 -6.740 1.00 0.00 O ATOM 1681 CB SER A 102 -6.986 -3.746 -5.155 1.00 0.00 C ATOM 1682 OG SER A 102 -6.263 -2.972 -4.202 1.00 0.00 O ATOM 0 H SER A 102 -8.023 -5.457 -3.678 1.00 0.00 H new ATOM 0 HA SER A 102 -8.733 -2.879 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.595 -4.763 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.830 -3.332 -6.151 1.00 0.00 H new ATOM 0 HG SER A 102 -6.672 -2.085 -4.123 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.671 -5.008 -6.549 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.445 -5.181 -7.767 1.00 0.00 C ATOM 1690 C GLU A 103 -9.919 -4.255 -8.866 1.00 0.00 C ATOM 1691 O GLU A 103 -10.454 -4.234 -9.973 1.00 0.00 O ATOM 1692 CB GLU A 103 -11.933 -4.937 -7.509 1.00 0.00 C ATOM 1693 CG GLU A 103 -12.194 -3.473 -7.147 1.00 0.00 C ATOM 1694 CD GLU A 103 -13.688 -3.218 -6.940 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -14.450 -3.505 -7.888 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -14.035 -2.740 -5.838 1.00 0.00 O ATOM 0 H GLU A 103 -9.456 -5.873 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.333 -6.212 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -12.508 -5.204 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.276 -5.582 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.648 -3.216 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.817 -2.826 -7.939 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.002 2.204 3.114 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.054 4.567 0.925 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.461 0.048 0.657 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.535 -0.124 5.476 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.140 4.605 5.537 1.00 0.00 C HETATM 1709 NA HEC A 104 0.247 2.340 1.236 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.674 3.327 0.433 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.994 2.846 -0.933 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.535 1.595 -0.976 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.102 1.207 0.293 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.606 0.637 -2.225 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.494 3.774 -2.002 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.303 4.642 -2.524 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.626 5.971 -3.190 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.585 6.936 -2.419 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.916 6.020 -4.405 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.432 0.311 3.097 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.791 -0.369 1.940 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.124 -1.724 2.369 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.090 -1.826 3.721 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.703 -0.503 4.131 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.609 -2.810 1.341 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.429 -2.960 4.653 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.552 -4.209 4.473 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.283 2.288 5.158 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.484 1.238 6.002 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.746 1.531 7.356 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.587 2.870 7.385 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.389 3.354 6.020 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.016 0.598 8.496 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.909 3.914 8.499 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.141 3.614 9.806 1.00 0.00 C HETATM 1736 ND HEC A 104 0.375 4.232 3.238 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.260 5.072 4.340 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.624 6.365 3.986 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.994 6.355 2.695 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.909 4.972 2.232 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.688 7.624 4.965 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.605 7.554 1.928 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.866 8.848 2.181 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.634 9.782 1.007 1.00 0.00 C HETATM 1745 O1D HEC A 104 0.551 9.256 -0.135 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.719 10.999 1.287 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.298 7.803 5.393 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.401 7.426 5.766 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.006 8.504 4.406 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.906 0.006 8.279 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.163 -0.066 8.632 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.176 1.174 9.407 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.524 -2.469 0.856 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.837 -2.969 0.588 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.803 -3.746 1.865 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.065 1.085 -3.058 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.648 0.485 -2.508 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.155 -0.323 -1.973 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -0.106 8.599 2.606 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 1.414 9.401 2.943 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.419 2.626 10.173 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.931 3.641 9.612 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.393 4.364 10.556 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.662 -4.588 3.457 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.491 -3.950 4.652 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.862 -4.977 5.182 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.262 4.040 -3.236 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.358 4.843 -1.681 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.648 7.673 2.221 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.596 7.339 0.860 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.281 4.415 -1.605 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.931 3.203 -2.821 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.298 5.391 6.275 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.432 -0.931 6.201 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.687 -0.651 -0.149 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.500 5.273 0.224 1.00 0.00 H new HETATM 0 H2D HEC A 104 0.286 11.167 2.150 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.122 5.808 -4.940 1.00 0.00 H new