USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -170:sc= -1.18 USER MOD Set 1.2: A 48 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.22 X(o=-2.5,f=-2.7) USER MOD Set 2.2: A 16 ASN : amide:sc= -2.25 K(o=-2.5,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= -0.0919 (180deg=-0.506) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0975) USER MOD Single : A 5 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 13 ASN : amide:sc= -2.95! C(o=-3!,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 94:sc= 1.13 USER MOD Single : A 28 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -145:sc= -0.492 (180deg=-1.73!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.515 USER MOD Single : A 63 GLN : amide:sc= -0.0805 K(o=-0.08,f=-3.6!) USER MOD Single : A 64 HIS : no HD1:sc= -25.1! C(o=-25!,f=-26!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 145:sc= -0.0553 (180deg=-1.24) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -6.06! K(o=-6.1!,f=-4.9) USER MOD Single : A 81 THR OG1 : rot -165:sc= -0.21 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.11) USER MOD Single : A 105 MET CE :methyl -157:sc= -0.101 (180deg=-0.675) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 111 ASN : amide:sc= -1.85 K(o=-1.9,f=-3.1) USER MOD Single : A 119 ASN : amide:sc= -4.67! C(o=-4.7!,f=-7.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 8OG O3' : rot 80:sc= -10! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.721 -24.998 0.761 1.00 0.00 N ATOM 2 CA MET A 1 -5.597 -24.236 0.152 1.00 0.00 C ATOM 3 C MET A 1 -6.085 -22.921 -0.448 1.00 0.00 C ATOM 4 O MET A 1 -5.849 -22.637 -1.623 1.00 0.00 O ATOM 5 CB MET A 1 -4.950 -25.106 -0.928 1.00 0.00 C ATOM 6 CG MET A 1 -3.468 -24.832 -1.122 1.00 0.00 C ATOM 7 SD MET A 1 -2.595 -26.225 -1.864 1.00 0.00 S ATOM 8 CE MET A 1 -2.880 -25.914 -3.604 1.00 0.00 C ATOM 0 H1 MET A 1 -6.361 -25.888 1.161 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.157 -24.430 1.516 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.432 -25.209 0.032 1.00 0.00 H new ATOM 0 HA MET A 1 -4.867 -23.991 0.924 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.086 -26.156 -0.667 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.468 -24.943 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.345 -23.953 -1.754 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.017 -24.597 -0.158 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.400 -26.693 -4.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.952 -25.915 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.462 -24.944 -3.874 1.00 0.00 H new ATOM 20 N LYS A 2 -6.767 -22.122 0.366 1.00 0.00 N ATOM 21 CA LYS A 2 -7.288 -20.837 -0.084 1.00 0.00 C ATOM 22 C LYS A 2 -6.529 -19.684 0.564 1.00 0.00 C ATOM 23 O LYS A 2 -6.544 -19.526 1.784 1.00 0.00 O ATOM 24 CB LYS A 2 -8.781 -20.728 0.235 1.00 0.00 C ATOM 25 CG LYS A 2 -9.680 -21.000 -0.959 1.00 0.00 C ATOM 26 CD LYS A 2 -10.924 -20.127 -0.931 1.00 0.00 C ATOM 27 CE LYS A 2 -10.658 -18.758 -1.535 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.345 -18.841 -2.988 1.00 0.00 N ATOM 0 H LYS A 2 -6.972 -22.342 1.341 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.150 -20.775 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.026 -21.431 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.990 -19.729 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.127 -20.818 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.972 -22.050 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.727 -20.618 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.266 -20.012 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.530 -18.121 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.827 -18.286 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.567 -17.933 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.335 -19.054 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.915 -19.594 -3.423 1.00 0.00 H new ATOM 42 N LYS A 3 -5.867 -18.882 -0.263 1.00 0.00 N ATOM 43 CA LYS A 3 -5.100 -17.738 0.223 1.00 0.00 C ATOM 44 C LYS A 3 -5.277 -16.543 -0.709 1.00 0.00 C ATOM 45 O LYS A 3 -5.618 -16.709 -1.880 1.00 0.00 O ATOM 46 CB LYS A 3 -3.618 -18.098 0.335 1.00 0.00 C ATOM 47 CG LYS A 3 -3.367 -19.452 0.981 1.00 0.00 C ATOM 48 CD LYS A 3 -1.902 -19.632 1.343 1.00 0.00 C ATOM 49 CE LYS A 3 -1.605 -21.061 1.771 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.642 -22.004 0.619 1.00 0.00 N ATOM 0 H LYS A 3 -5.846 -19.003 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.473 -17.470 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.175 -18.092 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.109 -17.328 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.979 -19.548 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.675 -20.245 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.280 -19.371 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.639 -18.947 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.623 -21.102 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.332 -21.374 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.225 -22.914 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.628 -22.152 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.099 -21.606 -0.173 1.00 0.00 H new ATOM 64 N LEU A 4 -5.026 -15.341 -0.196 1.00 0.00 N ATOM 65 CA LEU A 4 -5.144 -14.129 -1.003 1.00 0.00 C ATOM 66 C LEU A 4 -4.115 -13.088 -0.558 1.00 0.00 C ATOM 67 O LEU A 4 -4.078 -12.708 0.613 1.00 0.00 O ATOM 68 CB LEU A 4 -6.564 -13.566 -0.907 1.00 0.00 C ATOM 69 CG LEU A 4 -6.995 -13.113 0.488 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.759 -11.623 0.661 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.459 -13.452 0.731 1.00 0.00 C ATOM 0 H LEU A 4 -4.741 -15.180 0.770 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.944 -14.380 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.648 -12.719 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.263 -14.326 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.391 -13.645 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.072 -11.319 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.699 -11.405 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.337 -11.074 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.748 -13.122 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.077 -12.947 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.601 -14.530 0.650 1.00 0.00 H new ATOM 83 N GLN A 5 -3.258 -12.650 -1.483 1.00 0.00 N ATOM 84 CA GLN A 5 -2.210 -11.682 -1.162 1.00 0.00 C ATOM 85 C GLN A 5 -2.538 -10.267 -1.626 1.00 0.00 C ATOM 86 O GLN A 5 -3.158 -10.056 -2.664 1.00 0.00 O ATOM 87 CB GLN A 5 -0.898 -12.105 -1.815 1.00 0.00 C ATOM 88 CG GLN A 5 -0.586 -13.577 -1.637 1.00 0.00 C ATOM 89 CD GLN A 5 0.780 -13.957 -2.172 1.00 0.00 C ATOM 90 OE1 GLN A 5 0.906 -14.860 -3.000 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.812 -13.267 -1.703 1.00 0.00 N ATOM 0 H GLN A 5 -3.270 -12.950 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.128 -11.669 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.940 -11.876 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.084 -11.515 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.639 -13.829 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.347 -14.169 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.661 -12.527 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.756 -13.477 -2.028 1.00 0.00 H new ATOM 100 N ILE A 6 -2.066 -9.306 -0.847 1.00 0.00 N ATOM 101 CA ILE A 6 -2.226 -7.889 -1.137 1.00 0.00 C ATOM 102 C ILE A 6 -1.000 -7.155 -0.595 1.00 0.00 C ATOM 103 O ILE A 6 -0.642 -7.354 0.561 1.00 0.00 O ATOM 104 CB ILE A 6 -3.507 -7.321 -0.490 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.748 -7.912 -1.161 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.525 -5.802 -0.583 1.00 0.00 C ATOM 107 CD1 ILE A 6 -6.048 -7.410 -0.574 1.00 0.00 C ATOM 0 H ILE A 6 -1.554 -9.491 0.016 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.317 -7.750 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.515 -7.600 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.724 -7.675 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.715 -8.998 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.436 -5.420 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.657 -5.395 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.495 -5.501 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.886 -7.871 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.094 -7.670 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.103 -6.327 -0.684 1.00 0.00 H new ATOM 119 N ALA A 7 -0.341 -6.315 -1.391 1.00 0.00 N ATOM 120 CA ALA A 7 0.835 -5.606 -0.887 1.00 0.00 C ATOM 121 C ALA A 7 0.659 -4.112 -1.068 1.00 0.00 C ATOM 122 O ALA A 7 0.413 -3.658 -2.175 1.00 0.00 O ATOM 123 CB ALA A 7 2.090 -6.085 -1.605 1.00 0.00 C ATOM 0 H ALA A 7 -0.590 -6.112 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 7 0.944 -5.818 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.957 -5.548 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.220 -7.154 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.992 -5.896 -2.674 1.00 0.00 H new ATOM 129 N VAL A 8 0.785 -3.347 0.012 1.00 0.00 N ATOM 130 CA VAL A 8 0.616 -1.899 -0.081 1.00 0.00 C ATOM 131 C VAL A 8 1.539 -1.133 0.858 1.00 0.00 C ATOM 132 O VAL A 8 1.709 -1.495 2.018 1.00 0.00 O ATOM 133 CB VAL A 8 -0.857 -1.474 0.182 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.754 -2.687 0.396 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.963 -0.524 1.370 1.00 0.00 C ATOM 0 H VAL A 8 1.000 -3.696 0.946 1.00 0.00 H new ATOM 0 HA VAL A 8 0.888 -1.640 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.199 -0.945 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.777 -2.356 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.729 -3.319 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.399 -3.255 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.006 -0.249 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.582 -1.016 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.376 0.373 1.172 1.00 0.00 H new ATOM 145 N GLY A 9 2.104 -0.046 0.346 1.00 0.00 N ATOM 146 CA GLY A 9 2.980 0.786 1.146 1.00 0.00 C ATOM 147 C GLY A 9 2.908 2.249 0.731 1.00 0.00 C ATOM 148 O GLY A 9 2.877 2.548 -0.463 1.00 0.00 O ATOM 0 H GLY A 9 1.970 0.274 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.708 0.693 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.006 0.431 1.049 1.00 0.00 H new ATOM 152 N ILE A 10 2.829 3.167 1.700 1.00 0.00 N ATOM 153 CA ILE A 10 2.702 4.592 1.388 1.00 0.00 C ATOM 154 C ILE A 10 3.980 5.152 0.770 1.00 0.00 C ATOM 155 O ILE A 10 5.084 4.746 1.125 1.00 0.00 O ATOM 156 CB ILE A 10 2.356 5.444 2.640 1.00 0.00 C ATOM 157 CG1 ILE A 10 2.636 4.694 3.957 1.00 0.00 C ATOM 158 CG2 ILE A 10 0.914 5.929 2.578 1.00 0.00 C ATOM 159 CD1 ILE A 10 1.510 3.792 4.427 1.00 0.00 C ATOM 0 H ILE A 10 2.851 2.951 2.697 1.00 0.00 H new ATOM 0 HA ILE A 10 1.883 4.659 0.671 1.00 0.00 H new ATOM 0 HB ILE A 10 3.014 6.313 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.536 4.093 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.847 5.425 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.692 6.524 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.774 6.540 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.243 5.071 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.798 3.307 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.611 4.387 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.311 3.033 3.670 1.00 0.00 H new ATOM 171 N ILE A 11 3.806 6.078 -0.175 1.00 0.00 N ATOM 172 CA ILE A 11 4.932 6.694 -0.876 1.00 0.00 C ATOM 173 C ILE A 11 5.484 7.917 -0.144 1.00 0.00 C ATOM 174 O ILE A 11 4.757 8.870 0.140 1.00 0.00 O ATOM 175 CB ILE A 11 4.550 7.113 -2.312 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.483 6.183 -2.891 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.781 7.123 -3.201 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.106 6.800 -2.906 1.00 0.00 C ATOM 0 H ILE A 11 2.892 6.418 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 11 5.706 5.927 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 11 4.134 8.120 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.762 5.908 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.456 5.263 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.498 7.420 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.510 7.830 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.220 6.126 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.394 6.091 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.808 7.050 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.120 7.705 -3.513 1.00 0.00 H new ATOM 190 N ARG A 12 6.778 7.866 0.162 1.00 0.00 N ATOM 191 CA ARG A 12 7.453 8.952 0.881 1.00 0.00 C ATOM 192 C ARG A 12 7.775 10.082 -0.077 1.00 0.00 C ATOM 193 O ARG A 12 7.864 9.866 -1.286 1.00 0.00 O ATOM 194 CB ARG A 12 8.730 8.455 1.546 1.00 0.00 C ATOM 195 CG ARG A 12 8.541 8.068 3.002 1.00 0.00 C ATOM 196 CD ARG A 12 8.835 9.233 3.935 1.00 0.00 C ATOM 197 NE ARG A 12 9.542 8.800 5.138 1.00 0.00 N ATOM 198 CZ ARG A 12 9.482 9.436 6.306 1.00 0.00 C ATOM 199 NH1 ARG A 12 8.754 10.539 6.437 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.154 8.968 7.349 1.00 0.00 N ATOM 0 H ARG A 12 7.385 7.082 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 12 6.782 9.317 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.106 7.593 0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.491 9.232 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.518 7.726 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.197 7.232 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.434 9.977 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.900 9.717 4.217 1.00 0.00 H new ATOM 0 HE ARG A 12 10.117 7.959 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.235 10.905 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.714 11.020 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.716 8.122 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.109 9.454 8.245 1.00 0.00 H new ATOM 214 N ASN A 13 7.939 11.291 0.467 1.00 0.00 N ATOM 215 CA ASN A 13 8.214 12.461 -0.355 1.00 0.00 C ATOM 216 C ASN A 13 9.535 13.147 -0.016 1.00 0.00 C ATOM 217 O ASN A 13 10.242 12.786 0.925 1.00 0.00 O ATOM 218 CB ASN A 13 7.062 13.452 -0.216 1.00 0.00 C ATOM 219 CG ASN A 13 7.236 14.734 -1.007 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.557 15.783 -0.448 1.00 0.00 O ATOM 221 ND2 ASN A 13 7.025 14.655 -2.316 1.00 0.00 N ATOM 0 H ASN A 13 7.886 11.480 1.468 1.00 0.00 H new ATOM 0 HA ASN A 13 8.306 12.115 -1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.140 12.965 -0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.941 13.704 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.128 15.485 -2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.760 13.764 -2.737 1.00 0.00 H new ATOM 228 N GLU A 14 9.836 14.131 -0.844 1.00 0.00 N ATOM 229 CA GLU A 14 11.050 14.932 -0.761 1.00 0.00 C ATOM 230 C GLU A 14 11.390 15.336 0.662 1.00 0.00 C ATOM 231 O GLU A 14 12.559 15.374 1.045 1.00 0.00 O ATOM 232 CB GLU A 14 10.893 16.179 -1.637 1.00 0.00 C ATOM 233 CG GLU A 14 12.000 17.208 -1.458 1.00 0.00 C ATOM 234 CD GLU A 14 12.483 17.779 -2.778 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.306 17.117 -3.446 1.00 0.00 O ATOM 236 OE2 GLU A 14 12.039 18.888 -3.143 1.00 0.00 O ATOM 0 H GLU A 14 9.227 14.405 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 14 11.876 14.317 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.861 15.873 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.935 16.649 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.639 18.019 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.839 16.747 -0.937 1.00 0.00 H new ATOM 243 N ASN A 15 10.374 15.662 1.427 1.00 0.00 N ATOM 244 CA ASN A 15 10.584 16.101 2.807 1.00 0.00 C ATOM 245 C ASN A 15 10.408 14.959 3.799 1.00 0.00 C ATOM 246 O ASN A 15 11.347 14.575 4.496 1.00 0.00 O ATOM 247 CB ASN A 15 9.624 17.240 3.153 1.00 0.00 C ATOM 248 CG ASN A 15 10.132 18.099 4.294 1.00 0.00 C ATOM 249 OD1 ASN A 15 9.436 18.307 5.288 1.00 0.00 O ATOM 250 ND2 ASN A 15 11.353 18.604 4.157 1.00 0.00 N ATOM 0 H ASN A 15 9.398 15.636 1.130 1.00 0.00 H new ATOM 0 HA ASN A 15 11.612 16.455 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.473 17.864 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.653 16.824 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.748 19.190 4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.895 18.406 3.316 1.00 0.00 H new ATOM 257 N ASN A 16 9.197 14.426 3.850 1.00 0.00 N ATOM 258 CA ASN A 16 8.867 13.317 4.755 1.00 0.00 C ATOM 259 C ASN A 16 7.353 13.090 4.867 1.00 0.00 C ATOM 260 O ASN A 16 6.894 12.390 5.772 1.00 0.00 O ATOM 261 CB ASN A 16 9.445 13.572 6.151 1.00 0.00 C ATOM 262 CG ASN A 16 9.249 15.003 6.611 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.559 15.788 5.959 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.857 15.351 7.738 1.00 0.00 N ATOM 0 H ASN A 16 8.416 14.741 3.274 1.00 0.00 H new ATOM 0 HA ASN A 16 9.313 12.419 4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.972 12.897 6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.510 13.338 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.762 16.301 8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.419 14.668 8.246 1.00 0.00 H new ATOM 271 N GLU A 17 6.576 13.682 3.963 1.00 0.00 N ATOM 272 CA GLU A 17 5.133 13.535 3.990 1.00 0.00 C ATOM 273 C GLU A 17 4.692 12.500 2.969 1.00 0.00 C ATOM 274 O GLU A 17 5.076 12.558 1.801 1.00 0.00 O ATOM 275 CB GLU A 17 4.459 14.879 3.721 1.00 0.00 C ATOM 276 CG GLU A 17 5.147 15.721 2.656 1.00 0.00 C ATOM 277 CD GLU A 17 6.249 16.591 3.227 1.00 0.00 C ATOM 278 OE1 GLU A 17 6.700 16.314 4.359 1.00 0.00 O ATOM 279 OE2 GLU A 17 6.663 17.550 2.542 1.00 0.00 O ATOM 0 H GLU A 17 6.927 14.267 3.205 1.00 0.00 H new ATOM 0 HA GLU A 17 4.832 13.192 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.428 14.701 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.424 15.447 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.565 15.065 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.408 16.353 2.163 1.00 0.00 H new ATOM 286 N ILE A 18 3.986 11.488 3.450 1.00 0.00 N ATOM 287 CA ILE A 18 3.624 10.369 2.594 1.00 0.00 C ATOM 288 C ILE A 18 2.186 10.455 2.074 1.00 0.00 C ATOM 289 O ILE A 18 1.209 10.429 2.823 1.00 0.00 O ATOM 290 CB ILE A 18 3.828 9.051 3.400 1.00 0.00 C ATOM 291 CG1 ILE A 18 4.686 8.055 2.636 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.509 8.405 3.784 1.00 0.00 C ATOM 293 CD1 ILE A 18 5.212 6.927 3.496 1.00 0.00 C ATOM 0 H ILE A 18 3.657 11.418 4.413 1.00 0.00 H new ATOM 0 HA ILE A 18 4.266 10.392 1.714 1.00 0.00 H new ATOM 0 HB ILE A 18 4.348 9.331 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.100 7.635 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.528 8.582 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.701 7.490 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.933 9.094 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.944 8.167 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.815 6.255 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.825 7.337 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.375 6.375 3.924 1.00 0.00 H new ATOM 305 N PHE A 19 2.112 10.620 0.751 1.00 0.00 N ATOM 306 CA PHE A 19 0.855 10.781 0.029 1.00 0.00 C ATOM 307 C PHE A 19 -0.069 9.575 0.165 1.00 0.00 C ATOM 308 O PHE A 19 0.287 8.447 -0.177 1.00 0.00 O ATOM 309 CB PHE A 19 1.142 11.071 -1.456 1.00 0.00 C ATOM 310 CG PHE A 19 0.248 10.335 -2.423 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.121 10.554 -2.432 1.00 0.00 C ATOM 312 CD2 PHE A 19 0.781 9.422 -3.316 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.938 9.873 -3.317 1.00 0.00 C ATOM 314 CE2 PHE A 19 -0.031 8.741 -4.202 1.00 0.00 C ATOM 315 CZ PHE A 19 -1.392 8.967 -4.203 1.00 0.00 C ATOM 0 H PHE A 19 2.934 10.645 0.148 1.00 0.00 H new ATOM 0 HA PHE A 19 0.331 11.625 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.040 12.142 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.179 10.811 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.554 11.263 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.845 9.240 -3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.003 10.051 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.399 8.032 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.028 8.436 -4.895 1.00 0.00 H new ATOM 325 N ILE A 20 -1.272 9.855 0.640 1.00 0.00 N ATOM 326 CA ILE A 20 -2.300 8.850 0.807 1.00 0.00 C ATOM 327 C ILE A 20 -3.586 9.337 0.147 1.00 0.00 C ATOM 328 O ILE A 20 -4.081 10.416 0.475 1.00 0.00 O ATOM 329 CB ILE A 20 -2.576 8.549 2.294 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.832 9.529 3.208 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.187 7.117 2.624 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.450 9.654 4.582 1.00 0.00 C ATOM 0 H ILE A 20 -1.561 10.792 0.921 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.950 7.930 0.339 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.645 8.674 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.797 9.204 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.812 10.511 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.387 6.919 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.769 6.431 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.125 6.973 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.874 10.363 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.476 10.008 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.446 8.681 5.073 1.00 0.00 H new ATOM 344 N THR A 21 -4.125 8.560 -0.785 1.00 0.00 N ATOM 345 CA THR A 21 -5.347 8.961 -1.473 1.00 0.00 C ATOM 346 C THR A 21 -6.537 8.894 -0.529 1.00 0.00 C ATOM 347 O THR A 21 -6.951 7.815 -0.116 1.00 0.00 O ATOM 348 CB THR A 21 -5.600 8.073 -2.692 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.908 8.277 -3.194 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.446 6.596 -2.404 1.00 0.00 C ATOM 0 H THR A 21 -3.742 7.661 -1.079 1.00 0.00 H new ATOM 0 HA THR A 21 -5.221 9.990 -1.811 1.00 0.00 H new ATOM 0 HB THR A 21 -4.844 8.363 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.883 8.947 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.640 6.026 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.431 6.396 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.156 6.300 -1.632 1.00 0.00 H new ATOM 358 N ARG A 22 -7.080 10.060 -0.190 1.00 0.00 N ATOM 359 CA ARG A 22 -8.223 10.142 0.711 1.00 0.00 C ATOM 360 C ARG A 22 -9.394 10.849 0.039 1.00 0.00 C ATOM 361 O ARG A 22 -9.300 12.022 -0.321 1.00 0.00 O ATOM 362 CB ARG A 22 -7.833 10.883 1.992 1.00 0.00 C ATOM 363 CG ARG A 22 -7.020 12.142 1.743 1.00 0.00 C ATOM 364 CD ARG A 22 -7.337 13.225 2.763 1.00 0.00 C ATOM 365 NE ARG A 22 -6.172 14.056 3.057 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.245 15.272 3.597 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.423 15.798 3.906 1.00 0.00 N ATOM 368 NH2 ARG A 22 -5.137 15.961 3.828 1.00 0.00 N ATOM 0 H ARG A 22 -6.745 10.962 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.531 9.127 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.738 11.147 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.260 10.211 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.957 11.903 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.225 12.515 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.145 13.853 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.695 12.763 3.683 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.249 13.684 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.279 15.271 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.473 16.729 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.229 15.561 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.192 16.892 4.241 1.00 0.00 H new ATOM 382 N ARG A 23 -10.499 10.126 -0.124 1.00 0.00 N ATOM 383 CA ARG A 23 -11.701 10.680 -0.752 1.00 0.00 C ATOM 384 C ARG A 23 -11.358 11.448 -2.029 1.00 0.00 C ATOM 385 O ARG A 23 -12.064 12.383 -2.408 1.00 0.00 O ATOM 386 CB ARG A 23 -12.453 11.603 0.220 1.00 0.00 C ATOM 387 CG ARG A 23 -11.869 11.643 1.626 1.00 0.00 C ATOM 388 CD ARG A 23 -12.728 12.477 2.563 1.00 0.00 C ATOM 389 NE ARG A 23 -13.003 11.782 3.819 1.00 0.00 N ATOM 390 CZ ARG A 23 -13.568 12.361 4.877 1.00 0.00 C ATOM 391 NH1 ARG A 23 -13.915 13.642 4.835 1.00 0.00 N ATOM 392 NH2 ARG A 23 -13.785 11.658 5.980 1.00 0.00 N ATOM 0 H ARG A 23 -10.589 9.153 0.170 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.345 9.840 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.458 12.614 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.492 11.279 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.784 10.628 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.861 12.056 1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.224 13.420 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.669 12.722 2.071 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.748 10.797 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.749 14.188 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.347 14.080 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.519 10.674 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.218 12.101 6.790 1.00 0.00 H new ATOM 406 N ALA A 24 -10.271 11.051 -2.687 1.00 0.00 N ATOM 407 CA ALA A 24 -9.838 11.708 -3.919 1.00 0.00 C ATOM 408 C ALA A 24 -9.766 13.222 -3.742 1.00 0.00 C ATOM 409 O ALA A 24 -9.831 13.730 -2.623 1.00 0.00 O ATOM 410 CB ALA A 24 -10.775 11.354 -5.064 1.00 0.00 C ATOM 0 H ALA A 24 -9.675 10.279 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.837 11.349 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.440 11.850 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.772 10.275 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.786 11.683 -4.822 1.00 0.00 H new ATOM 416 N ALA A 25 -9.634 13.937 -4.855 1.00 0.00 N ATOM 417 CA ALA A 25 -9.556 15.392 -4.824 1.00 0.00 C ATOM 418 C ALA A 25 -10.896 16.021 -5.196 1.00 0.00 C ATOM 419 O ALA A 25 -11.233 17.108 -4.729 1.00 0.00 O ATOM 420 CB ALA A 25 -8.462 15.880 -5.760 1.00 0.00 C ATOM 0 H ALA A 25 -9.579 13.532 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.311 15.698 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.414 16.968 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.504 15.465 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.683 15.557 -6.777 1.00 0.00 H new ATOM 426 N ASP A 26 -11.654 15.330 -6.042 1.00 0.00 N ATOM 427 CA ASP A 26 -12.956 15.821 -6.478 1.00 0.00 C ATOM 428 C ASP A 26 -14.078 14.908 -5.987 1.00 0.00 C ATOM 429 O ASP A 26 -15.013 14.599 -6.727 1.00 0.00 O ATOM 430 CB ASP A 26 -12.993 15.938 -8.000 1.00 0.00 C ATOM 431 CG ASP A 26 -13.236 17.361 -8.466 1.00 0.00 C ATOM 432 OD1 ASP A 26 -14.116 18.033 -7.887 1.00 0.00 O ATOM 433 OD2 ASP A 26 -12.547 17.802 -9.410 1.00 0.00 O ATOM 0 H ASP A 26 -11.389 14.429 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.111 16.809 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.050 15.580 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.778 15.291 -8.392 1.00 0.00 H new ATOM 438 N ALA A 27 -13.979 14.482 -4.732 1.00 0.00 N ATOM 439 CA ALA A 27 -14.984 13.608 -4.137 1.00 0.00 C ATOM 440 C ALA A 27 -15.030 12.257 -4.843 1.00 0.00 C ATOM 441 O ALA A 27 -14.910 12.178 -6.065 1.00 0.00 O ATOM 442 CB ALA A 27 -16.353 14.272 -4.176 1.00 0.00 C ATOM 0 H ALA A 27 -13.212 14.728 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.705 13.435 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.092 13.608 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.320 15.207 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.629 14.477 -5.210 1.00 0.00 H new ATOM 448 N HIS A 28 -15.205 11.194 -4.062 1.00 0.00 N ATOM 449 CA HIS A 28 -15.269 9.843 -4.609 1.00 0.00 C ATOM 450 C HIS A 28 -15.634 8.837 -3.520 1.00 0.00 C ATOM 451 O HIS A 28 -16.767 8.359 -3.457 1.00 0.00 O ATOM 452 CB HIS A 28 -13.931 9.464 -5.248 1.00 0.00 C ATOM 453 CG HIS A 28 -13.977 9.413 -6.744 1.00 0.00 C ATOM 454 ND1 HIS A 28 -13.610 10.474 -7.546 1.00 0.00 N ATOM 455 CD2 HIS A 28 -14.349 8.419 -7.586 1.00 0.00 C ATOM 456 CE1 HIS A 28 -13.756 10.135 -8.815 1.00 0.00 C ATOM 457 NE2 HIS A 28 -14.202 8.894 -8.866 1.00 0.00 N ATOM 0 H HIS A 28 -15.305 11.243 -3.048 1.00 0.00 H new ATOM 0 HA HIS A 28 -16.044 9.821 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.173 10.184 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.619 8.491 -4.869 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.278 11.379 -7.212 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -14.696 7.436 -7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.546 10.766 -9.666 1.00 0.00 H new ATOM 466 N MET A 29 -14.667 8.521 -2.665 1.00 0.00 N ATOM 467 CA MET A 29 -14.885 7.575 -1.578 1.00 0.00 C ATOM 468 C MET A 29 -14.143 8.014 -0.319 1.00 0.00 C ATOM 469 O MET A 29 -12.929 7.842 -0.210 1.00 0.00 O ATOM 470 CB MET A 29 -14.428 6.174 -1.991 1.00 0.00 C ATOM 471 CG MET A 29 -15.532 5.329 -2.605 1.00 0.00 C ATOM 472 SD MET A 29 -15.438 5.263 -4.406 1.00 0.00 S ATOM 473 CE MET A 29 -16.294 3.724 -4.733 1.00 0.00 C ATOM 0 H MET A 29 -13.724 8.907 -2.704 1.00 0.00 H new ATOM 0 HA MET A 29 -15.953 7.551 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.611 6.264 -2.706 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.031 5.658 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.474 4.317 -2.205 1.00 0.00 H new ATOM 0 HG3 MET A 29 -16.500 5.734 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 29 -16.319 3.543 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.771 2.905 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 29 -17.313 3.786 -4.352 1.00 0.00 H new ATOM 483 N ALA A 30 -14.882 8.582 0.628 1.00 0.00 N ATOM 484 CA ALA A 30 -14.298 9.049 1.879 1.00 0.00 C ATOM 485 C ALA A 30 -13.598 7.916 2.625 1.00 0.00 C ATOM 486 O ALA A 30 -12.700 8.154 3.432 1.00 0.00 O ATOM 487 CB ALA A 30 -15.369 9.677 2.758 1.00 0.00 C ATOM 0 H ALA A 30 -15.888 8.730 0.552 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.549 9.803 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.919 10.022 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.818 10.523 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.139 8.937 2.979 1.00 0.00 H new ATOM 493 N ASN A 31 -14.015 6.682 2.354 1.00 0.00 N ATOM 494 CA ASN A 31 -13.427 5.517 3.005 1.00 0.00 C ATOM 495 C ASN A 31 -12.349 4.883 2.130 1.00 0.00 C ATOM 496 O ASN A 31 -12.101 3.679 2.211 1.00 0.00 O ATOM 497 CB ASN A 31 -14.513 4.488 3.328 1.00 0.00 C ATOM 498 CG ASN A 31 -14.664 4.253 4.819 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.012 3.380 5.391 1.00 0.00 O ATOM 500 ND2 ASN A 31 -15.529 5.033 5.456 1.00 0.00 N ATOM 0 H ASN A 31 -14.757 6.464 1.689 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.961 5.848 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.464 4.828 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.273 3.545 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.674 4.921 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.049 5.745 4.942 1.00 0.00 H new ATOM 507 N LYS A 32 -11.711 5.694 1.291 1.00 0.00 N ATOM 508 CA LYS A 32 -10.663 5.201 0.402 1.00 0.00 C ATOM 509 C LYS A 32 -9.306 5.791 0.759 1.00 0.00 C ATOM 510 O LYS A 32 -8.420 5.897 -0.086 1.00 0.00 O ATOM 511 CB LYS A 32 -11.005 5.509 -1.057 1.00 0.00 C ATOM 512 CG LYS A 32 -10.372 4.545 -2.047 1.00 0.00 C ATOM 513 CD LYS A 32 -11.361 3.482 -2.500 1.00 0.00 C ATOM 514 CE LYS A 32 -10.788 2.631 -3.622 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.389 1.268 -3.647 1.00 0.00 N ATOM 0 H LYS A 32 -11.900 6.693 1.208 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.605 4.120 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.088 5.485 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.680 6.523 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.008 5.098 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.507 4.067 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.624 2.844 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.281 3.959 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.965 3.124 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.708 2.549 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.972 0.719 -4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.198 0.788 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.417 1.344 -3.788 1.00 0.00 H new ATOM 529 N LEU A 33 -9.155 6.169 2.018 1.00 0.00 N ATOM 530 CA LEU A 33 -7.908 6.752 2.509 1.00 0.00 C ATOM 531 C LEU A 33 -6.801 5.700 2.586 1.00 0.00 C ATOM 532 O LEU A 33 -6.250 5.443 3.657 1.00 0.00 O ATOM 533 CB LEU A 33 -8.133 7.381 3.887 1.00 0.00 C ATOM 534 CG LEU A 33 -6.943 8.158 4.461 1.00 0.00 C ATOM 535 CD1 LEU A 33 -7.390 9.515 4.985 1.00 0.00 C ATOM 536 CD2 LEU A 33 -6.259 7.359 5.564 1.00 0.00 C ATOM 0 H LEU A 33 -9.884 6.083 2.726 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.593 7.524 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.988 8.054 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.401 6.591 4.588 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.224 8.319 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.530 10.051 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.829 10.093 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.132 9.375 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.417 7.929 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.971 7.163 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.899 6.413 5.159 1.00 0.00 H new ATOM 548 N GLU A 34 -6.473 5.092 1.448 1.00 0.00 N ATOM 549 CA GLU A 34 -5.430 4.071 1.404 1.00 0.00 C ATOM 550 C GLU A 34 -4.322 4.457 0.431 1.00 0.00 C ATOM 551 O GLU A 34 -4.371 5.516 -0.192 1.00 0.00 O ATOM 552 CB GLU A 34 -6.008 2.702 1.026 1.00 0.00 C ATOM 553 CG GLU A 34 -7.252 2.768 0.157 1.00 0.00 C ATOM 554 CD GLU A 34 -6.948 3.181 -1.270 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.354 2.368 -2.010 1.00 0.00 O ATOM 556 OE2 GLU A 34 -7.303 4.318 -1.649 1.00 0.00 O ATOM 0 H GLU A 34 -6.912 5.288 0.548 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.003 4.001 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.243 2.130 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.245 2.156 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.739 1.793 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.958 3.475 0.593 1.00 0.00 H new ATOM 563 N PHE A 35 -3.311 3.602 0.330 1.00 0.00 N ATOM 564 CA PHE A 35 -2.171 3.860 -0.544 1.00 0.00 C ATOM 565 C PHE A 35 -2.005 2.772 -1.611 1.00 0.00 C ATOM 566 O PHE A 35 -2.623 1.710 -1.535 1.00 0.00 O ATOM 567 CB PHE A 35 -0.887 3.982 0.290 1.00 0.00 C ATOM 568 CG PHE A 35 -0.976 3.358 1.658 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.867 3.840 2.603 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.165 2.289 1.994 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.947 3.267 3.858 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.240 1.711 3.246 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.131 2.200 4.179 1.00 0.00 C ATOM 0 H PHE A 35 -3.257 2.722 0.843 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.361 4.800 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.067 3.516 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.638 5.037 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.507 4.674 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.535 1.902 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.646 3.653 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.399 0.876 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.190 1.749 5.159 1.00 0.00 H new ATOM 583 N PRO A 36 -1.139 3.028 -2.614 1.00 0.00 N ATOM 584 CA PRO A 36 -0.845 2.086 -3.707 1.00 0.00 C ATOM 585 C PRO A 36 -0.566 0.675 -3.196 1.00 0.00 C ATOM 586 O PRO A 36 -0.367 0.478 -1.998 1.00 0.00 O ATOM 587 CB PRO A 36 0.423 2.669 -4.361 1.00 0.00 C ATOM 588 CG PRO A 36 0.882 3.759 -3.450 1.00 0.00 C ATOM 589 CD PRO A 36 -0.351 4.258 -2.763 1.00 0.00 C ATOM 0 HA PRO A 36 -1.689 1.988 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.192 1.905 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.207 3.056 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.609 3.386 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.369 4.558 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.124 4.716 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.874 5.008 -3.357 1.00 0.00 H new ATOM 597 N GLY A 37 -0.541 -0.306 -4.104 1.00 0.00 N ATOM 598 CA GLY A 37 -0.273 -1.674 -3.685 1.00 0.00 C ATOM 599 C GLY A 37 -1.500 -2.561 -3.598 1.00 0.00 C ATOM 600 O GLY A 37 -1.832 -3.095 -2.540 1.00 0.00 O ATOM 0 H GLY A 37 -0.699 -0.180 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.434 -2.122 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.213 -1.652 -2.710 1.00 0.00 H new ATOM 604 N GLY A 38 -2.155 -2.716 -4.722 1.00 0.00 N ATOM 605 CA GLY A 38 -3.339 -3.550 -4.811 1.00 0.00 C ATOM 606 C GLY A 38 -3.347 -4.393 -6.077 1.00 0.00 C ATOM 607 O GLY A 38 -3.490 -3.851 -7.174 1.00 0.00 O ATOM 0 H GLY A 38 -1.888 -2.272 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.389 -4.203 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.229 -2.921 -4.789 1.00 0.00 H new ATOM 611 N LYS A 39 -3.190 -5.721 -5.920 1.00 0.00 N ATOM 612 CA LYS A 39 -3.174 -6.671 -7.044 1.00 0.00 C ATOM 613 C LYS A 39 -1.814 -7.359 -7.177 1.00 0.00 C ATOM 614 O LYS A 39 -1.550 -8.028 -8.178 1.00 0.00 O ATOM 615 CB LYS A 39 -3.537 -6.002 -8.375 1.00 0.00 C ATOM 616 CG LYS A 39 -3.634 -6.976 -9.537 1.00 0.00 C ATOM 617 CD LYS A 39 -4.868 -6.717 -10.388 1.00 0.00 C ATOM 618 CE LYS A 39 -5.573 -8.011 -10.760 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.836 -8.197 -9.993 1.00 0.00 N ATOM 0 H LYS A 39 -3.071 -6.164 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.933 -7.419 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.490 -5.485 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.788 -5.245 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.741 -6.893 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.663 -7.996 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.557 -6.070 -9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.580 -6.185 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.794 -8.010 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.907 -8.854 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.286 -9.091 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.623 -8.224 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.482 -7.406 -10.191 1.00 0.00 H new ATOM 633 N ILE A 40 -0.954 -7.210 -6.172 1.00 0.00 N ATOM 634 CA ILE A 40 0.364 -7.842 -6.211 1.00 0.00 C ATOM 635 C ILE A 40 0.224 -9.349 -6.302 1.00 0.00 C ATOM 636 O ILE A 40 1.043 -10.040 -6.909 1.00 0.00 O ATOM 637 CB ILE A 40 1.233 -7.470 -4.987 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.955 -8.392 -3.787 1.00 0.00 C ATOM 639 CG2 ILE A 40 1.008 -6.014 -4.623 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.206 -8.790 -3.030 1.00 0.00 C ATOM 0 H ILE A 40 -1.142 -6.665 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 40 0.870 -7.465 -7.100 1.00 0.00 H new ATOM 0 HB ILE A 40 2.280 -7.611 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.270 -7.890 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.451 -9.292 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.622 -5.756 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.283 -5.381 -5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.043 -5.858 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.936 -9.440 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.883 -9.320 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.700 -7.897 -2.648 1.00 0.00 H new ATOM 652 N GLU A 41 -0.833 -9.839 -5.678 1.00 0.00 N ATOM 653 CA GLU A 41 -1.136 -11.261 -5.644 1.00 0.00 C ATOM 654 C GLU A 41 -0.952 -11.896 -7.018 1.00 0.00 C ATOM 655 O GLU A 41 0.112 -12.435 -7.314 1.00 0.00 O ATOM 656 CB GLU A 41 -2.563 -11.479 -5.134 1.00 0.00 C ATOM 657 CG GLU A 41 -3.548 -10.397 -5.572 1.00 0.00 C ATOM 658 CD GLU A 41 -4.798 -10.966 -6.216 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.140 -12.130 -5.921 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.434 -10.247 -7.016 1.00 0.00 O ATOM 0 H GLU A 41 -1.508 -9.260 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.439 -11.745 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.921 -12.446 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.547 -11.523 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.831 -9.798 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.055 -9.727 -6.276 1.00 0.00 H new ATOM 667 N MET A 42 -1.991 -11.819 -7.853 1.00 0.00 N ATOM 668 CA MET A 42 -1.954 -12.379 -9.207 1.00 0.00 C ATOM 669 C MET A 42 -1.142 -13.675 -9.261 1.00 0.00 C ATOM 670 O MET A 42 -1.691 -14.768 -9.115 1.00 0.00 O ATOM 671 CB MET A 42 -1.374 -11.354 -10.187 1.00 0.00 C ATOM 672 CG MET A 42 -2.347 -10.249 -10.558 1.00 0.00 C ATOM 673 SD MET A 42 -3.531 -10.759 -11.819 1.00 0.00 S ATOM 674 CE MET A 42 -2.427 -11.314 -13.116 1.00 0.00 C ATOM 0 H MET A 42 -2.875 -11.371 -7.613 1.00 0.00 H new ATOM 0 HA MET A 42 -2.978 -12.616 -9.495 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.482 -10.908 -9.748 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.059 -11.869 -11.094 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.887 -9.931 -9.666 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.789 -9.385 -10.918 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.858 -11.075 -14.088 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.464 -10.813 -13.013 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.286 -12.392 -13.037 1.00 0.00 H new ATOM 684 N GLY A 43 0.166 -13.545 -9.470 1.00 0.00 N ATOM 685 CA GLY A 43 1.028 -14.709 -9.535 1.00 0.00 C ATOM 686 C GLY A 43 2.494 -14.345 -9.572 1.00 0.00 C ATOM 687 O GLY A 43 3.307 -15.057 -10.161 1.00 0.00 O ATOM 0 H GLY A 43 0.643 -12.652 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.837 -15.346 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.780 -15.291 -10.422 1.00 0.00 H new ATOM 691 N GLU A 44 2.830 -13.231 -8.946 1.00 0.00 N ATOM 692 CA GLU A 44 4.210 -12.760 -8.908 1.00 0.00 C ATOM 693 C GLU A 44 4.918 -13.242 -7.645 1.00 0.00 C ATOM 694 O GLU A 44 4.377 -14.053 -6.893 1.00 0.00 O ATOM 695 CB GLU A 44 4.244 -11.233 -8.983 1.00 0.00 C ATOM 696 CG GLU A 44 4.422 -10.698 -10.393 1.00 0.00 C ATOM 697 CD GLU A 44 3.399 -11.255 -11.364 1.00 0.00 C ATOM 698 OE1 GLU A 44 3.494 -12.454 -11.703 1.00 0.00 O ATOM 699 OE2 GLU A 44 2.503 -10.494 -11.784 1.00 0.00 O ATOM 0 H GLU A 44 2.167 -12.632 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 44 4.736 -13.172 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.318 -10.836 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.058 -10.865 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.347 -9.611 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.424 -10.943 -10.746 1.00 0.00 H new ATOM 706 N THR A 45 6.127 -12.737 -7.413 1.00 0.00 N ATOM 707 CA THR A 45 6.896 -13.118 -6.237 1.00 0.00 C ATOM 708 C THR A 45 6.729 -12.070 -5.142 1.00 0.00 C ATOM 709 O THR A 45 6.264 -10.961 -5.406 1.00 0.00 O ATOM 710 CB THR A 45 8.377 -13.279 -6.596 1.00 0.00 C ATOM 711 OG1 THR A 45 8.597 -12.998 -7.968 1.00 0.00 O ATOM 712 CG2 THR A 45 8.912 -14.669 -6.326 1.00 0.00 C ATOM 0 H THR A 45 6.592 -12.065 -8.023 1.00 0.00 H new ATOM 0 HA THR A 45 6.523 -14.074 -5.870 1.00 0.00 H new ATOM 0 HB THR A 45 8.904 -12.571 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.510 -13.257 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.965 -14.713 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.805 -14.901 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.352 -15.395 -6.915 1.00 0.00 H new ATOM 720 N PRO A 46 7.108 -12.397 -3.895 1.00 0.00 N ATOM 721 CA PRO A 46 6.998 -11.470 -2.770 1.00 0.00 C ATOM 722 C PRO A 46 7.502 -10.074 -3.125 1.00 0.00 C ATOM 723 O PRO A 46 7.059 -9.080 -2.551 1.00 0.00 O ATOM 724 CB PRO A 46 7.880 -12.108 -1.682 1.00 0.00 C ATOM 725 CG PRO A 46 8.566 -13.263 -2.338 1.00 0.00 C ATOM 726 CD PRO A 46 7.677 -13.677 -3.470 1.00 0.00 C ATOM 0 HA PRO A 46 5.963 -11.328 -2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.605 -11.391 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.278 -12.440 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.553 -12.977 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.710 -14.083 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.235 -14.161 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.907 -14.379 -3.149 1.00 0.00 H new ATOM 734 N GLU A 47 8.435 -10.008 -4.072 1.00 0.00 N ATOM 735 CA GLU A 47 8.999 -8.733 -4.499 1.00 0.00 C ATOM 736 C GLU A 47 8.435 -8.294 -5.849 1.00 0.00 C ATOM 737 O GLU A 47 7.990 -7.158 -6.000 1.00 0.00 O ATOM 738 CB GLU A 47 10.523 -8.832 -4.581 1.00 0.00 C ATOM 739 CG GLU A 47 11.220 -8.621 -3.246 1.00 0.00 C ATOM 740 CD GLU A 47 10.887 -9.702 -2.237 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.113 -10.892 -2.545 1.00 0.00 O ATOM 742 OE2 GLU A 47 10.400 -9.360 -1.139 1.00 0.00 O ATOM 0 H GLU A 47 8.815 -10.821 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 47 8.722 -7.983 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.794 -9.813 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.889 -8.092 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.298 -8.596 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.934 -7.650 -2.841 1.00 0.00 H new ATOM 749 N GLN A 48 8.463 -9.193 -6.832 1.00 0.00 N ATOM 750 CA GLN A 48 7.966 -8.879 -8.171 1.00 0.00 C ATOM 751 C GLN A 48 6.449 -8.695 -8.190 1.00 0.00 C ATOM 752 O GLN A 48 5.878 -8.330 -9.218 1.00 0.00 O ATOM 753 CB GLN A 48 8.368 -9.978 -9.157 1.00 0.00 C ATOM 754 CG GLN A 48 9.800 -9.856 -9.650 1.00 0.00 C ATOM 755 CD GLN A 48 10.540 -11.180 -9.626 1.00 0.00 C ATOM 756 OE1 GLN A 48 10.219 -12.098 -10.381 1.00 0.00 O ATOM 757 NE2 GLN A 48 11.537 -11.284 -8.755 1.00 0.00 N ATOM 0 H GLN A 48 8.823 -10.141 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 48 8.419 -7.935 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.238 -10.949 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.694 -9.951 -10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.798 -9.463 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.333 -9.135 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.768 -10.497 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.071 -12.151 -8.693 1.00 0.00 H new ATOM 766 N ALA A 49 5.799 -8.931 -7.056 1.00 0.00 N ATOM 767 CA ALA A 49 4.357 -8.769 -6.966 1.00 0.00 C ATOM 768 C ALA A 49 3.999 -7.304 -6.758 1.00 0.00 C ATOM 769 O ALA A 49 3.158 -6.751 -7.467 1.00 0.00 O ATOM 770 CB ALA A 49 3.802 -9.623 -5.836 1.00 0.00 C ATOM 0 H ALA A 49 6.247 -9.234 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 49 3.908 -9.101 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.721 -9.493 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.032 -10.671 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.255 -9.317 -4.893 1.00 0.00 H new ATOM 776 N VAL A 50 4.674 -6.674 -5.806 1.00 0.00 N ATOM 777 CA VAL A 50 4.456 -5.260 -5.538 1.00 0.00 C ATOM 778 C VAL A 50 5.212 -4.402 -6.546 1.00 0.00 C ATOM 779 O VAL A 50 4.703 -3.386 -7.014 1.00 0.00 O ATOM 780 CB VAL A 50 4.854 -4.847 -4.104 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.181 -5.468 -3.703 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.903 -3.326 -3.982 1.00 0.00 C ATOM 0 H VAL A 50 5.373 -7.117 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 50 3.383 -5.092 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 50 4.094 -5.222 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.435 -5.160 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.101 -6.554 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.960 -5.136 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.185 -3.051 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.638 -2.928 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.922 -2.911 -4.211 1.00 0.00 H new ATOM 792 N VAL A 51 6.441 -4.807 -6.859 1.00 0.00 N ATOM 793 CA VAL A 51 7.277 -4.064 -7.792 1.00 0.00 C ATOM 794 C VAL A 51 6.533 -3.767 -9.085 1.00 0.00 C ATOM 795 O VAL A 51 6.714 -2.706 -9.682 1.00 0.00 O ATOM 796 CB VAL A 51 8.583 -4.824 -8.108 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.426 -4.062 -9.124 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.379 -5.068 -6.833 1.00 0.00 C ATOM 0 H VAL A 51 6.878 -5.646 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 51 7.531 -3.121 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 51 8.317 -5.787 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.340 -4.619 -9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.860 -3.940 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.681 -3.081 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.297 -5.605 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.628 -4.113 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.783 -5.662 -6.140 1.00 0.00 H new ATOM 808 N ARG A 52 5.697 -4.702 -9.520 1.00 0.00 N ATOM 809 CA ARG A 52 4.938 -4.515 -10.749 1.00 0.00 C ATOM 810 C ARG A 52 3.739 -3.600 -10.524 1.00 0.00 C ATOM 811 O ARG A 52 3.306 -2.889 -11.431 1.00 0.00 O ATOM 812 CB ARG A 52 4.484 -5.864 -11.313 1.00 0.00 C ATOM 813 CG ARG A 52 5.126 -6.213 -12.646 1.00 0.00 C ATOM 814 CD ARG A 52 5.811 -7.571 -12.600 1.00 0.00 C ATOM 815 NE ARG A 52 5.566 -8.349 -13.812 1.00 0.00 N ATOM 816 CZ ARG A 52 6.117 -8.076 -14.993 1.00 0.00 C ATOM 817 NH1 ARG A 52 6.945 -7.048 -15.126 1.00 0.00 N ATOM 818 NH2 ARG A 52 5.838 -8.834 -16.046 1.00 0.00 N ATOM 0 H ARG A 52 5.529 -5.589 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 52 5.594 -4.037 -11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.716 -6.647 -10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.401 -5.852 -11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.366 -6.215 -13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.854 -5.447 -12.911 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.884 -7.431 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.454 -8.128 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 52 4.936 -9.149 -13.750 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.163 -6.461 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.364 -6.844 -16.034 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.202 -9.625 -15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.260 -8.625 -16.951 1.00 0.00 H new ATOM 832 N GLU A 53 3.239 -3.593 -9.299 1.00 0.00 N ATOM 833 CA GLU A 53 2.125 -2.728 -8.939 1.00 0.00 C ATOM 834 C GLU A 53 2.647 -1.316 -8.706 1.00 0.00 C ATOM 835 O GLU A 53 1.969 -0.331 -8.970 1.00 0.00 O ATOM 836 CB GLU A 53 1.417 -3.251 -7.686 1.00 0.00 C ATOM 837 CG GLU A 53 0.718 -4.590 -7.883 1.00 0.00 C ATOM 838 CD GLU A 53 0.045 -4.715 -9.237 1.00 0.00 C ATOM 839 OE1 GLU A 53 -1.043 -4.131 -9.414 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.607 -5.399 -10.118 1.00 0.00 O ATOM 0 H GLU A 53 3.586 -4.176 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 53 1.400 -2.718 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.147 -3.349 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.683 -2.514 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.446 -5.393 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.028 -4.723 -7.099 1.00 0.00 H new ATOM 847 N LEU A 54 3.850 -1.258 -8.149 1.00 0.00 N ATOM 848 CA LEU A 54 4.467 0.015 -7.807 1.00 0.00 C ATOM 849 C LEU A 54 4.352 0.964 -8.990 1.00 0.00 C ATOM 850 O LEU A 54 3.937 2.113 -8.843 1.00 0.00 O ATOM 851 CB LEU A 54 5.934 -0.194 -7.444 1.00 0.00 C ATOM 852 CG LEU A 54 6.344 0.376 -6.092 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.384 -0.724 -5.043 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.687 1.076 -6.202 1.00 0.00 C ATOM 0 H LEU A 54 4.416 -2.076 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 54 3.954 0.445 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.147 -1.263 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.554 0.260 -8.217 1.00 0.00 H new ATOM 0 HG LEU A 54 5.603 1.112 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.679 -0.301 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.396 -1.176 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.106 -1.485 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.968 1.479 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.443 0.363 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.615 1.889 -6.924 1.00 0.00 H new ATOM 866 N GLN A 55 4.710 0.474 -10.163 1.00 0.00 N ATOM 867 CA GLN A 55 4.634 1.284 -11.380 1.00 0.00 C ATOM 868 C GLN A 55 3.182 1.431 -11.831 1.00 0.00 C ATOM 869 O GLN A 55 2.813 2.406 -12.487 1.00 0.00 O ATOM 870 CB GLN A 55 5.469 0.650 -12.495 1.00 0.00 C ATOM 871 CG GLN A 55 6.348 1.646 -13.235 1.00 0.00 C ATOM 872 CD GLN A 55 7.384 0.970 -14.111 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.586 1.072 -13.864 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.922 0.275 -15.145 1.00 0.00 N ATOM 0 H GLN A 55 5.055 -0.475 -10.306 1.00 0.00 H new ATOM 0 HA GLN A 55 5.035 2.274 -11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.098 -0.131 -12.068 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.801 0.167 -13.208 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.721 2.291 -13.851 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.852 2.288 -12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.918 0.217 -15.313 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.572 -0.200 -15.771 1.00 0.00 H new ATOM 883 N GLU A 56 2.372 0.447 -11.466 1.00 0.00 N ATOM 884 CA GLU A 56 0.958 0.436 -11.818 1.00 0.00 C ATOM 885 C GLU A 56 0.160 1.389 -10.935 1.00 0.00 C ATOM 886 O GLU A 56 -0.873 1.912 -11.350 1.00 0.00 O ATOM 887 CB GLU A 56 0.391 -0.977 -11.684 1.00 0.00 C ATOM 888 CG GLU A 56 -0.654 -1.317 -12.733 1.00 0.00 C ATOM 889 CD GLU A 56 -1.713 -2.271 -12.213 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.269 -2.007 -11.123 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.988 -3.282 -12.893 1.00 0.00 O ATOM 0 H GLU A 56 2.673 -0.361 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 56 0.871 0.768 -12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.208 -1.695 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.051 -1.089 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.133 -0.399 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.163 -1.762 -13.599 1.00 0.00 H new ATOM 898 N GLU A 57 0.627 1.589 -9.707 1.00 0.00 N ATOM 899 CA GLU A 57 -0.061 2.456 -8.759 1.00 0.00 C ATOM 900 C GLU A 57 0.697 3.763 -8.499 1.00 0.00 C ATOM 901 O GLU A 57 0.297 4.554 -7.644 1.00 0.00 O ATOM 902 CB GLU A 57 -0.290 1.712 -7.445 1.00 0.00 C ATOM 903 CG GLU A 57 -1.457 0.739 -7.495 1.00 0.00 C ATOM 904 CD GLU A 57 -1.009 -0.708 -7.519 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.799 -1.247 -8.626 1.00 0.00 O ATOM 906 OE2 GLU A 57 -0.869 -1.303 -6.432 1.00 0.00 O ATOM 0 H GLU A 57 1.480 1.162 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.019 2.725 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.617 1.167 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.466 2.438 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.099 0.902 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.058 0.944 -8.381 1.00 0.00 H new ATOM 913 N VAL A 58 1.784 3.992 -9.235 1.00 0.00 N ATOM 914 CA VAL A 58 2.572 5.209 -9.067 1.00 0.00 C ATOM 915 C VAL A 58 2.904 5.827 -10.422 1.00 0.00 C ATOM 916 O VAL A 58 2.778 7.037 -10.614 1.00 0.00 O ATOM 917 CB VAL A 58 3.876 4.937 -8.289 1.00 0.00 C ATOM 918 CG1 VAL A 58 4.556 6.243 -7.907 1.00 0.00 C ATOM 919 CG2 VAL A 58 3.594 4.096 -7.051 1.00 0.00 C ATOM 0 H VAL A 58 2.136 3.354 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 58 1.967 5.909 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 58 4.551 4.378 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.474 6.029 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.795 6.806 -8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.887 6.831 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.525 3.914 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.899 4.627 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.156 3.144 -7.350 1.00 0.00 H new ATOM 929 N GLY A 59 3.300 4.980 -11.367 1.00 0.00 N ATOM 930 CA GLY A 59 3.611 5.439 -12.708 1.00 0.00 C ATOM 931 C GLY A 59 4.831 6.344 -12.806 1.00 0.00 C ATOM 932 O GLY A 59 5.130 6.856 -13.884 1.00 0.00 O ATOM 0 H GLY A 59 3.412 3.976 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.768 4.570 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.747 5.973 -13.104 1.00 0.00 H new ATOM 936 N ILE A 60 5.547 6.543 -11.703 1.00 0.00 N ATOM 937 CA ILE A 60 6.731 7.389 -11.721 1.00 0.00 C ATOM 938 C ILE A 60 7.957 6.619 -11.238 1.00 0.00 C ATOM 939 O ILE A 60 7.917 5.396 -11.106 1.00 0.00 O ATOM 940 CB ILE A 60 6.565 8.660 -10.852 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.312 8.603 -9.975 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.539 9.904 -11.727 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.531 9.205 -8.602 1.00 0.00 C ATOM 0 H ILE A 60 5.329 6.133 -10.795 1.00 0.00 H new ATOM 0 HA ILE A 60 6.868 7.698 -12.757 1.00 0.00 H new ATOM 0 HB ILE A 60 7.426 8.707 -10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.500 9.132 -10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.997 7.565 -9.866 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.422 10.788 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.473 9.976 -12.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.704 9.841 -12.425 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.609 9.137 -8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.323 8.660 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.818 10.251 -8.705 1.00 0.00 H new ATOM 955 N THR A 61 9.045 7.345 -10.991 1.00 0.00 N ATOM 956 CA THR A 61 10.287 6.756 -10.529 1.00 0.00 C ATOM 957 C THR A 61 10.517 7.071 -9.052 1.00 0.00 C ATOM 958 O THR A 61 11.090 8.106 -8.709 1.00 0.00 O ATOM 959 CB THR A 61 11.449 7.278 -11.379 1.00 0.00 C ATOM 960 OG1 THR A 61 12.491 7.807 -10.578 1.00 0.00 O ATOM 961 CG2 THR A 61 11.061 8.346 -12.388 1.00 0.00 C ATOM 0 H THR A 61 9.084 8.358 -11.107 1.00 0.00 H new ATOM 0 HA THR A 61 10.227 5.673 -10.635 1.00 0.00 H new ATOM 0 HB THR A 61 11.783 6.396 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.113 8.416 -9.909 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.944 8.658 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.320 7.943 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.640 9.205 -11.865 1.00 0.00 H new ATOM 969 N PRO A 62 10.022 6.210 -8.151 1.00 0.00 N ATOM 970 CA PRO A 62 10.115 6.404 -6.723 1.00 0.00 C ATOM 971 C PRO A 62 11.038 5.428 -6.017 1.00 0.00 C ATOM 972 O PRO A 62 10.924 4.218 -6.212 1.00 0.00 O ATOM 973 CB PRO A 62 8.674 6.082 -6.336 1.00 0.00 C ATOM 974 CG PRO A 62 8.297 4.947 -7.245 1.00 0.00 C ATOM 975 CD PRO A 62 9.252 4.993 -8.421 1.00 0.00 C ATOM 0 HA PRO A 62 10.512 7.383 -6.455 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.597 5.795 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.021 6.942 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.371 3.993 -6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.265 5.047 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.889 4.110 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.723 5.049 -9.372 1.00 0.00 H new ATOM 983 N GLN A 63 11.893 5.935 -5.127 1.00 0.00 N ATOM 984 CA GLN A 63 12.725 5.039 -4.350 1.00 0.00 C ATOM 985 C GLN A 63 11.790 4.435 -3.323 1.00 0.00 C ATOM 986 O GLN A 63 11.704 4.877 -2.177 1.00 0.00 O ATOM 987 CB GLN A 63 13.883 5.776 -3.673 1.00 0.00 C ATOM 988 CG GLN A 63 14.548 6.808 -4.568 1.00 0.00 C ATOM 989 CD GLN A 63 15.569 7.650 -3.828 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.387 8.853 -3.648 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.654 7.017 -3.396 1.00 0.00 N ATOM 0 H GLN A 63 12.020 6.929 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 63 13.194 4.283 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.514 6.270 -2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.629 5.049 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.035 6.301 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.785 7.460 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.764 6.018 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.377 7.530 -2.893 1.00 0.00 H new ATOM 1000 N HIS A 64 11.040 3.463 -3.802 1.00 0.00 N ATOM 1001 CA HIS A 64 10.015 2.793 -3.030 1.00 0.00 C ATOM 1002 C HIS A 64 10.411 1.351 -2.792 1.00 0.00 C ATOM 1003 O HIS A 64 10.701 0.620 -3.738 1.00 0.00 O ATOM 1004 CB HIS A 64 8.724 2.903 -3.852 1.00 0.00 C ATOM 1005 CG HIS A 64 7.546 2.085 -3.389 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.637 0.957 -2.591 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.224 2.246 -3.646 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.426 0.470 -2.381 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.554 1.233 -3.009 1.00 0.00 N ATOM 0 H HIS A 64 11.128 3.111 -4.755 1.00 0.00 H new ATOM 0 HA HIS A 64 9.877 3.243 -2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.423 3.950 -3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.951 2.618 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.780 3.029 -4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.191 -0.405 -1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.544 1.093 -3.020 1.00 0.00 H new ATOM 1018 N PHE A 65 10.434 0.936 -1.527 1.00 0.00 N ATOM 1019 CA PHE A 65 10.811 -0.419 -1.203 1.00 0.00 C ATOM 1020 C PHE A 65 10.867 -0.656 0.306 1.00 0.00 C ATOM 1021 O PHE A 65 10.505 0.203 1.107 1.00 0.00 O ATOM 1022 CB PHE A 65 12.181 -0.688 -1.797 1.00 0.00 C ATOM 1023 CG PHE A 65 12.295 -2.014 -2.495 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.416 -2.344 -3.514 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.277 -2.925 -2.140 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.513 -3.558 -4.166 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.379 -4.141 -2.789 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.495 -4.457 -3.805 1.00 0.00 C ATOM 0 H PHE A 65 10.197 1.519 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 65 10.059 -1.092 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.421 0.105 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.926 -0.642 -1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.646 -1.644 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.970 -2.682 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.821 -3.803 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.148 -4.844 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.574 -5.406 -4.315 1.00 0.00 H new ATOM 1038 N SER A 66 11.363 -1.832 0.661 1.00 0.00 N ATOM 1039 CA SER A 66 11.537 -2.242 2.052 1.00 0.00 C ATOM 1040 C SER A 66 10.209 -2.367 2.784 1.00 0.00 C ATOM 1041 O SER A 66 9.690 -1.383 3.308 1.00 0.00 O ATOM 1042 CB SER A 66 12.441 -1.250 2.785 1.00 0.00 C ATOM 1043 OG SER A 66 13.801 -1.639 2.698 1.00 0.00 O ATOM 0 H SER A 66 11.660 -2.538 -0.013 1.00 0.00 H new ATOM 0 HA SER A 66 12.003 -3.227 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.316 -0.255 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.144 -1.187 3.832 1.00 0.00 H new ATOM 0 HG SER A 66 14.359 -0.988 3.173 1.00 0.00 H new ATOM 1049 N LEU A 67 9.661 -3.580 2.825 1.00 0.00 N ATOM 1050 CA LEU A 67 8.393 -3.822 3.500 1.00 0.00 C ATOM 1051 C LEU A 67 8.401 -3.264 4.920 1.00 0.00 C ATOM 1052 O LEU A 67 9.221 -3.670 5.744 1.00 0.00 O ATOM 1053 CB LEU A 67 8.089 -5.321 3.536 1.00 0.00 C ATOM 1054 CG LEU A 67 9.157 -6.189 4.209 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.514 -7.192 5.155 1.00 0.00 C ATOM 1056 CD2 LEU A 67 10.000 -6.904 3.165 1.00 0.00 C ATOM 0 H LEU A 67 10.077 -4.408 2.398 1.00 0.00 H new ATOM 0 HA LEU A 67 7.615 -3.307 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.142 -5.471 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.951 -5.672 2.513 1.00 0.00 H new ATOM 0 HG LEU A 67 9.810 -5.539 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.289 -7.799 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.955 -6.660 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.836 -7.837 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.753 -7.516 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.360 -7.541 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.492 -6.168 2.529 1.00 0.00 H new ATOM 1068 N PHE A 68 7.499 -2.323 5.210 1.00 0.00 N ATOM 1069 CA PHE A 68 7.441 -1.726 6.537 1.00 0.00 C ATOM 1070 C PHE A 68 6.813 -2.714 7.516 1.00 0.00 C ATOM 1071 O PHE A 68 7.236 -2.827 8.667 1.00 0.00 O ATOM 1072 CB PHE A 68 6.641 -0.409 6.495 1.00 0.00 C ATOM 1073 CG PHE A 68 5.412 -0.375 7.368 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.283 -1.101 7.028 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.388 0.391 8.522 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.152 -1.065 7.822 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.259 0.434 9.319 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.139 -0.296 8.969 1.00 0.00 C ATOM 0 H PHE A 68 6.809 -1.965 4.550 1.00 0.00 H new ATOM 0 HA PHE A 68 8.452 -1.496 6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.300 0.407 6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.340 -0.218 5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.286 -1.703 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.261 0.961 8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.279 -1.638 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.252 1.038 10.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.256 -0.265 9.591 1.00 0.00 H new ATOM 1088 N GLU A 69 5.808 -3.439 7.035 1.00 0.00 N ATOM 1089 CA GLU A 69 5.119 -4.437 7.841 1.00 0.00 C ATOM 1090 C GLU A 69 4.153 -5.247 6.980 1.00 0.00 C ATOM 1091 O GLU A 69 3.450 -4.698 6.138 1.00 0.00 O ATOM 1092 CB GLU A 69 4.365 -3.772 8.994 1.00 0.00 C ATOM 1093 CG GLU A 69 4.747 -4.312 10.363 1.00 0.00 C ATOM 1094 CD GLU A 69 3.538 -4.667 11.208 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.837 -5.641 10.860 1.00 0.00 O ATOM 1096 OE2 GLU A 69 3.294 -3.973 12.218 1.00 0.00 O ATOM 0 H GLU A 69 5.452 -3.352 6.083 1.00 0.00 H new ATOM 0 HA GLU A 69 5.866 -5.112 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.555 -2.699 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.294 -3.910 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.372 -5.197 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.347 -3.569 10.888 1.00 0.00 H new ATOM 1103 N LYS A 70 4.115 -6.550 7.199 1.00 0.00 N ATOM 1104 CA LYS A 70 3.220 -7.418 6.444 1.00 0.00 C ATOM 1105 C LYS A 70 2.329 -8.199 7.403 1.00 0.00 C ATOM 1106 O LYS A 70 2.816 -8.759 8.386 1.00 0.00 O ATOM 1107 CB LYS A 70 4.024 -8.383 5.569 1.00 0.00 C ATOM 1108 CG LYS A 70 4.901 -9.338 6.362 1.00 0.00 C ATOM 1109 CD LYS A 70 5.760 -10.196 5.448 1.00 0.00 C ATOM 1110 CE LYS A 70 7.138 -10.439 6.044 1.00 0.00 C ATOM 1111 NZ LYS A 70 8.195 -10.484 4.996 1.00 0.00 N ATOM 0 H LYS A 70 4.690 -7.031 7.890 1.00 0.00 H new ATOM 0 HA LYS A 70 2.596 -6.802 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.335 -8.962 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.651 -7.807 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.541 -8.770 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.274 -9.979 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.265 -11.151 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.863 -9.707 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.369 -9.649 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.134 -11.378 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.072 -10.068 5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.370 -11.472 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.882 -9.943 4.164 1.00 0.00 H new ATOM 1125 N LEU A 71 1.022 -8.227 7.142 1.00 0.00 N ATOM 1126 CA LEU A 71 0.111 -8.930 8.022 1.00 0.00 C ATOM 1127 C LEU A 71 -0.233 -10.330 7.510 1.00 0.00 C ATOM 1128 O LEU A 71 -0.814 -10.506 6.440 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.171 -8.114 8.197 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.311 -8.852 8.902 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.706 -8.135 10.184 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.509 -9.001 7.974 1.00 0.00 C ATOM 0 H LEU A 71 0.583 -7.776 6.339 1.00 0.00 H new ATOM 0 HA LEU A 71 0.614 -9.050 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.936 -7.212 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.518 -7.793 7.215 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.960 -9.849 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.518 -8.677 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.848 -8.090 10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.035 -7.123 9.948 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.309 -9.528 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.861 -8.014 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.216 -9.567 7.090 1.00 0.00 H new ATOM 1144 N GLU A 72 0.180 -11.311 8.297 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.026 -12.702 7.949 1.00 0.00 C ATOM 1146 C GLU A 72 -0.993 -13.385 8.911 1.00 0.00 C ATOM 1147 O GLU A 72 -0.662 -13.675 10.061 1.00 0.00 O ATOM 1148 CB GLU A 72 1.319 -13.426 7.941 1.00 0.00 C ATOM 1149 CG GLU A 72 1.189 -14.924 7.797 1.00 0.00 C ATOM 1150 CD GLU A 72 2.530 -15.633 7.785 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.105 -15.795 6.689 1.00 0.00 O ATOM 1152 OE2 GLU A 72 3.004 -16.024 8.872 1.00 0.00 O ATOM 0 H GLU A 72 0.662 -11.165 9.184 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.472 -12.746 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.927 -13.040 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.850 -13.201 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.586 -15.312 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.655 -15.151 6.874 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.195 -13.648 8.398 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.247 -14.313 9.155 1.00 0.00 C ATOM 1161 C TYR A 73 -4.042 -15.250 8.246 1.00 0.00 C ATOM 1162 O TYR A 73 -4.521 -14.837 7.190 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.182 -13.282 9.791 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.773 -13.730 11.109 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -3.963 -14.236 12.118 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.139 -13.647 11.344 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -4.499 -14.648 13.324 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -6.683 -14.055 12.547 1.00 0.00 C ATOM 1169 CZ TYR A 73 -5.858 -14.556 13.533 1.00 0.00 C ATOM 1170 OH TYR A 73 -6.396 -14.965 14.732 1.00 0.00 O ATOM 0 H TYR A 73 -2.464 -13.404 7.445 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.783 -14.900 9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.633 -12.353 9.946 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.992 -13.061 9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.897 -14.309 11.958 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.787 -13.257 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.856 -15.040 14.098 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.747 -13.982 12.714 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.367 -14.832 14.717 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.188 -16.504 8.655 1.00 0.00 N ATOM 1181 CA GLU A 74 -4.939 -17.472 7.855 1.00 0.00 C ATOM 1182 C GLU A 74 -6.266 -17.822 8.511 1.00 0.00 C ATOM 1183 O GLU A 74 -6.311 -18.454 9.567 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.134 -18.747 7.594 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.281 -19.190 8.768 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.103 -20.045 8.344 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.308 -21.248 8.077 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -0.975 -19.512 8.278 1.00 0.00 O ATOM 0 H GLU A 74 -3.803 -16.874 9.524 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.137 -16.995 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.822 -19.552 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.489 -18.587 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.915 -18.311 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.898 -19.751 9.469 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.343 -17.405 7.862 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.688 -17.657 8.342 1.00 0.00 C ATOM 1197 C PHE A 75 -9.149 -19.058 7.936 1.00 0.00 C ATOM 1198 O PHE A 75 -8.563 -19.669 7.044 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.637 -16.601 7.774 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.885 -15.443 8.700 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -8.955 -14.421 8.813 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.047 -15.373 9.453 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.178 -13.353 9.661 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -11.274 -14.307 10.303 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.338 -13.296 10.407 1.00 0.00 C ATOM 0 H PHE A 75 -7.306 -16.882 6.987 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.694 -17.599 9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.226 -16.223 6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.590 -17.074 7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.046 -14.460 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.783 -16.160 9.375 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.445 -12.564 9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.182 -14.264 10.886 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.514 -12.462 11.071 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.205 -19.578 8.592 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.773 -20.899 8.332 1.00 0.00 C ATOM 1217 C PRO A 76 -10.689 -21.315 6.867 1.00 0.00 C ATOM 1218 O PRO A 76 -11.655 -21.195 6.114 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.242 -20.747 8.770 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.351 -19.390 9.404 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.946 -18.914 9.652 1.00 0.00 C ATOM 0 HA PRO A 76 -10.228 -21.679 8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.914 -20.833 7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.521 -21.530 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.884 -18.699 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.912 -19.443 10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.866 -17.829 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.588 -19.201 10.641 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.514 -21.806 6.483 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.243 -22.264 5.117 1.00 0.00 C ATOM 1231 C ASP A 77 -8.780 -21.115 4.228 1.00 0.00 C ATOM 1232 O ASP A 77 -7.783 -21.233 3.515 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.474 -22.939 4.498 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.152 -23.898 5.457 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.552 -24.948 5.771 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.283 -23.600 5.895 1.00 0.00 O ATOM 0 H ASP A 77 -8.716 -21.899 7.112 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.441 -22.999 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.187 -22.175 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.175 -23.479 3.599 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.503 -20.004 4.274 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.159 -18.836 3.470 1.00 0.00 C ATOM 1243 C ARG A 78 -8.172 -17.942 4.213 1.00 0.00 C ATOM 1244 O ARG A 78 -8.507 -17.354 5.237 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.421 -18.043 3.120 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.435 -17.526 1.691 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.282 -16.269 1.558 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.585 -16.413 2.205 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.858 -15.993 3.440 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -11.923 -15.407 4.179 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.074 -16.162 3.941 1.00 0.00 N ATOM 0 H ARG A 78 -10.331 -19.886 4.858 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.689 -19.181 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.294 -18.676 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.512 -17.199 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.415 -17.314 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.823 -18.299 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.750 -15.426 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.425 -16.039 0.502 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.333 -16.864 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.984 -15.274 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.144 -15.090 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.798 -16.613 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.285 -15.841 4.886 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.952 -17.846 3.693 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.919 -17.028 4.308 1.00 0.00 C ATOM 1267 C HIS A 79 -5.765 -15.708 3.568 1.00 0.00 C ATOM 1268 O HIS A 79 -6.063 -15.615 2.377 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.581 -17.774 4.330 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.710 -19.240 4.612 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -3.689 -20.141 4.389 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -5.745 -19.964 5.101 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -4.091 -21.353 4.726 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -5.335 -21.273 5.162 1.00 0.00 N ATOM 0 H HIS A 79 -6.657 -18.328 2.844 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.222 -16.820 5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.086 -17.641 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.937 -17.324 5.085 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -2.767 -19.907 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.713 -19.582 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.503 -22.256 4.657 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.273 -14.696 4.270 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.048 -13.393 3.684 1.00 0.00 C ATOM 1285 C ILE A 80 -3.653 -12.918 4.063 1.00 0.00 C ATOM 1286 O ILE A 80 -3.234 -13.057 5.212 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.097 -12.362 4.158 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.645 -10.944 3.820 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.339 -12.494 5.651 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.781 -9.947 3.741 1.00 0.00 C ATOM 0 H ILE A 80 -5.022 -14.760 5.256 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.141 -13.481 2.602 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.033 -12.563 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.932 -10.610 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.118 -10.958 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.081 -11.760 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.704 -13.497 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.406 -12.320 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.384 -8.962 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.484 -10.257 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.295 -9.904 4.701 1.00 0.00 H new ATOM 1302 N THR A 81 -2.932 -12.369 3.100 1.00 0.00 N ATOM 1303 CA THR A 81 -1.586 -11.890 3.342 1.00 0.00 C ATOM 1304 C THR A 81 -1.451 -10.459 2.845 1.00 0.00 C ATOM 1305 O THR A 81 -1.662 -10.187 1.663 1.00 0.00 O ATOM 1306 CB THR A 81 -0.586 -12.791 2.618 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.256 -13.693 1.754 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.275 -13.609 3.550 1.00 0.00 C ATOM 0 H THR A 81 -3.259 -12.245 2.142 1.00 0.00 H new ATOM 0 HA THR A 81 -1.380 -11.913 4.412 1.00 0.00 H new ATOM 0 HB THR A 81 0.058 -12.110 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.641 -14.407 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.960 -14.224 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.846 -12.943 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.359 -14.252 4.161 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.091 -9.544 3.736 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.929 -8.153 3.343 1.00 0.00 C ATOM 1318 C LEU A 82 0.488 -7.677 3.623 1.00 0.00 C ATOM 1319 O LEU A 82 0.896 -7.565 4.772 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.932 -7.271 4.089 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.289 -7.107 3.403 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.384 -6.886 4.433 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.247 -5.954 2.412 1.00 0.00 C ATOM 0 H LEU A 82 -0.908 -9.737 4.721 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.116 -8.077 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.093 -7.691 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.491 -6.284 4.228 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.513 -8.023 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.342 -6.771 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.429 -7.743 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.167 -5.985 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.220 -5.851 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.002 -5.031 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.489 -6.153 1.655 1.00 0.00 H new ATOM 1335 N TRP A 83 1.236 -7.398 2.566 1.00 0.00 N ATOM 1336 CA TRP A 83 2.610 -6.938 2.719 1.00 0.00 C ATOM 1337 C TRP A 83 2.713 -5.442 2.470 1.00 0.00 C ATOM 1338 O TRP A 83 2.374 -4.958 1.392 1.00 0.00 O ATOM 1339 CB TRP A 83 3.533 -7.684 1.753 1.00 0.00 C ATOM 1340 CG TRP A 83 3.651 -9.148 2.047 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.692 -9.957 2.582 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.795 -9.980 1.819 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.166 -11.239 2.702 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.456 -11.280 2.241 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.073 -9.752 1.300 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.347 -12.346 2.158 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.957 -10.812 1.219 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.591 -12.094 1.646 1.00 0.00 C ATOM 0 H TRP A 83 0.919 -7.481 1.600 1.00 0.00 H new ATOM 0 HA TRP A 83 2.920 -7.144 3.744 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.162 -7.555 0.736 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.525 -7.233 1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.702 -9.635 2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.643 -12.032 3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.364 -8.766 0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.067 -13.336 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.947 -10.648 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.305 -12.901 1.570 1.00 0.00 H new ATOM 1359 N PHE A 84 3.197 -4.709 3.465 1.00 0.00 N ATOM 1360 CA PHE A 84 3.348 -3.269 3.322 1.00 0.00 C ATOM 1361 C PHE A 84 4.821 -2.913 3.145 1.00 0.00 C ATOM 1362 O PHE A 84 5.689 -3.511 3.778 1.00 0.00 O ATOM 1363 CB PHE A 84 2.758 -2.516 4.525 1.00 0.00 C ATOM 1364 CG PHE A 84 1.252 -2.419 4.533 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.466 -3.401 3.945 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.621 -1.339 5.136 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.912 -3.308 3.959 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.758 -1.243 5.152 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.525 -2.228 4.563 1.00 0.00 C ATOM 0 H PHE A 84 3.488 -5.083 4.368 1.00 0.00 H new ATOM 0 HA PHE A 84 2.794 -2.960 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.081 -3.012 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.173 -1.508 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.938 -4.249 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.215 -0.564 5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.510 -4.080 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.235 -0.398 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.602 -2.154 4.575 1.00 0.00 H new ATOM 1379 N TRP A 85 5.096 -1.944 2.274 1.00 0.00 N ATOM 1380 CA TRP A 85 6.470 -1.522 2.008 1.00 0.00 C ATOM 1381 C TRP A 85 6.666 -0.054 2.335 1.00 0.00 C ATOM 1382 O TRP A 85 5.828 0.780 1.994 1.00 0.00 O ATOM 1383 CB TRP A 85 6.829 -1.796 0.549 1.00 0.00 C ATOM 1384 CG TRP A 85 6.673 -3.236 0.169 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.508 -3.944 0.104 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.717 -4.148 -0.190 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.762 -5.239 -0.275 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.111 -5.389 -0.462 1.00 0.00 C ATOM 1389 CE3 TRP A 85 9.105 -4.035 -0.311 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.846 -6.508 -0.845 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.832 -5.146 -0.691 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.203 -6.369 -0.955 1.00 0.00 C ATOM 0 H TRP A 85 4.388 -1.438 1.742 1.00 0.00 H new ATOM 0 HA TRP A 85 7.134 -2.099 2.652 1.00 0.00 H new ATOM 0 HB2 TRP A 85 6.197 -1.185 -0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.859 -1.488 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.528 -3.544 0.319 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.061 -5.970 -0.397 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.600 -3.096 -0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.362 -7.452 -1.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.905 -5.070 -0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.800 -7.219 -1.251 1.00 0.00 H new ATOM 1403 N LEU A 86 7.765 0.272 3.014 1.00 0.00 N ATOM 1404 CA LEU A 86 7.998 1.659 3.373 1.00 0.00 C ATOM 1405 C LEU A 86 8.787 2.397 2.296 1.00 0.00 C ATOM 1406 O LEU A 86 10.009 2.291 2.197 1.00 0.00 O ATOM 1407 CB LEU A 86 8.717 1.758 4.712 1.00 0.00 C ATOM 1408 CG LEU A 86 10.162 1.251 4.721 1.00 0.00 C ATOM 1409 CD1 LEU A 86 11.139 2.415 4.763 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.393 0.318 5.901 1.00 0.00 C ATOM 0 H LEU A 86 8.484 -0.386 3.316 1.00 0.00 H new ATOM 0 HA LEU A 86 7.023 2.138 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.714 2.800 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.148 1.196 5.453 1.00 0.00 H new ATOM 0 HG LEU A 86 10.334 0.693 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.160 2.033 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.992 3.045 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.966 3.003 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.425 -0.032 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.200 0.853 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.719 -0.536 5.827 1.00 0.00 H new ATOM 1422 N VAL A 87 8.044 3.134 1.491 1.00 0.00 N ATOM 1423 CA VAL A 87 8.574 3.915 0.379 1.00 0.00 C ATOM 1424 C VAL A 87 9.368 5.105 0.845 1.00 0.00 C ATOM 1425 O VAL A 87 9.074 5.685 1.885 1.00 0.00 O ATOM 1426 CB VAL A 87 7.442 4.411 -0.497 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.966 5.075 -1.762 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.517 3.251 -0.817 1.00 0.00 C ATOM 0 H VAL A 87 7.032 3.211 1.591 1.00 0.00 H new ATOM 0 HA VAL A 87 9.235 3.254 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 87 6.881 5.174 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.127 5.419 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.593 5.926 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.554 4.357 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.699 3.601 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.074 2.475 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.112 2.843 0.109 1.00 0.00 H new ATOM 1438 N GLU A 88 10.394 5.452 0.082 1.00 0.00 N ATOM 1439 CA GLU A 88 11.231 6.576 0.461 1.00 0.00 C ATOM 1440 C GLU A 88 11.237 7.736 -0.551 1.00 0.00 C ATOM 1441 O GLU A 88 11.710 8.822 -0.214 1.00 0.00 O ATOM 1442 CB GLU A 88 12.667 6.111 0.721 1.00 0.00 C ATOM 1443 CG GLU A 88 12.791 4.626 1.023 1.00 0.00 C ATOM 1444 CD GLU A 88 14.220 4.202 1.301 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.146 4.943 0.908 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.414 3.129 1.910 1.00 0.00 O ATOM 0 H GLU A 88 10.662 4.983 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 88 10.786 6.971 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.278 6.346 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.075 6.677 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.170 4.382 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.405 4.054 0.179 1.00 0.00 H new ATOM 1453 N ARG A 89 10.747 7.540 -1.781 1.00 0.00 N ATOM 1454 CA ARG A 89 10.771 8.638 -2.756 1.00 0.00 C ATOM 1455 C ARG A 89 9.843 8.385 -3.942 1.00 0.00 C ATOM 1456 O ARG A 89 9.455 7.253 -4.198 1.00 0.00 O ATOM 1457 CB ARG A 89 12.220 8.856 -3.229 1.00 0.00 C ATOM 1458 CG ARG A 89 12.369 9.540 -4.585 1.00 0.00 C ATOM 1459 CD ARG A 89 12.164 11.043 -4.483 1.00 0.00 C ATOM 1460 NE ARG A 89 13.424 11.775 -4.587 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.508 13.070 -4.885 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.409 13.779 -5.108 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.695 13.656 -4.960 1.00 0.00 N ATOM 0 H ARG A 89 10.343 6.666 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 89 10.401 9.539 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.743 9.452 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.720 7.888 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.360 9.335 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.646 9.121 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.488 11.371 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.684 11.280 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 89 14.291 11.264 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.494 13.332 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.479 14.771 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.543 13.115 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.761 14.648 -5.188 1.00 0.00 H new ATOM 1477 N TRP A 90 9.530 9.454 -4.682 1.00 0.00 N ATOM 1478 CA TRP A 90 8.694 9.365 -5.879 1.00 0.00 C ATOM 1479 C TRP A 90 8.946 10.559 -6.798 1.00 0.00 C ATOM 1480 O TRP A 90 8.768 11.708 -6.396 1.00 0.00 O ATOM 1481 CB TRP A 90 7.210 9.221 -5.510 1.00 0.00 C ATOM 1482 CG TRP A 90 6.463 10.508 -5.330 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.205 11.457 -6.278 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.845 10.965 -4.127 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.483 12.487 -5.727 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.245 12.205 -4.408 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.748 10.446 -2.835 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.555 12.932 -3.445 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.062 11.168 -1.878 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.472 12.399 -2.188 1.00 0.00 C ATOM 0 H TRP A 90 9.848 10.399 -4.468 1.00 0.00 H new ATOM 0 HA TRP A 90 8.970 8.465 -6.428 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.715 8.639 -6.287 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.137 8.646 -4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.522 11.405 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.174 13.325 -6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.201 9.497 -2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.101 13.883 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.979 10.777 -0.875 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.940 12.939 -1.419 1.00 0.00 H new ATOM 1501 N GLU A 91 9.383 10.288 -8.034 1.00 0.00 N ATOM 1502 CA GLU A 91 9.665 11.362 -8.979 1.00 0.00 C ATOM 1503 C GLU A 91 8.378 12.041 -9.437 1.00 0.00 C ATOM 1504 O GLU A 91 7.339 11.396 -9.579 1.00 0.00 O ATOM 1505 CB GLU A 91 10.425 10.820 -10.188 1.00 0.00 C ATOM 1506 CG GLU A 91 11.181 11.888 -10.959 1.00 0.00 C ATOM 1507 CD GLU A 91 12.468 11.367 -11.569 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.502 11.370 -10.867 1.00 0.00 O ATOM 1509 OE2 GLU A 91 12.442 10.957 -12.748 1.00 0.00 O ATOM 0 H GLU A 91 9.545 9.348 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 91 10.283 12.102 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.129 10.059 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.721 10.329 -10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.542 12.281 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.410 12.719 -10.292 1.00 0.00 H new ATOM 1516 N GLY A 92 8.455 13.350 -9.668 1.00 0.00 N ATOM 1517 CA GLY A 92 7.291 14.099 -10.109 1.00 0.00 C ATOM 1518 C GLY A 92 6.093 13.909 -9.199 1.00 0.00 C ATOM 1519 O GLY A 92 6.141 14.251 -8.017 1.00 0.00 O ATOM 0 H GLY A 92 9.304 13.905 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.542 15.159 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.027 13.789 -11.120 1.00 0.00 H new ATOM 1523 N GLU A 93 5.016 13.360 -9.751 1.00 0.00 N ATOM 1524 CA GLU A 93 3.798 13.120 -8.984 1.00 0.00 C ATOM 1525 C GLU A 93 3.365 11.661 -9.112 1.00 0.00 C ATOM 1526 O GLU A 93 3.477 11.071 -10.184 1.00 0.00 O ATOM 1527 CB GLU A 93 2.678 14.045 -9.464 1.00 0.00 C ATOM 1528 CG GLU A 93 3.125 15.482 -9.674 1.00 0.00 C ATOM 1529 CD GLU A 93 2.113 16.301 -10.451 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.897 16.001 -11.644 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.538 17.242 -9.867 1.00 0.00 O ATOM 0 H GLU A 93 4.961 13.072 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 93 4.004 13.332 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.275 13.658 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.867 14.028 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.298 15.950 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.077 15.488 -10.205 1.00 0.00 H new ATOM 1538 N PRO A 94 2.853 11.060 -8.023 1.00 0.00 N ATOM 1539 CA PRO A 94 2.395 9.672 -8.022 1.00 0.00 C ATOM 1540 C PRO A 94 1.035 9.536 -8.686 1.00 0.00 C ATOM 1541 O PRO A 94 0.135 10.335 -8.429 1.00 0.00 O ATOM 1542 CB PRO A 94 2.304 9.312 -6.528 1.00 0.00 C ATOM 1543 CG PRO A 94 2.830 10.503 -5.790 1.00 0.00 C ATOM 1544 CD PRO A 94 2.650 11.671 -6.710 1.00 0.00 C ATOM 0 HA PRO A 94 3.065 9.017 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.275 9.096 -6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.892 8.422 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.288 10.654 -4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.880 10.369 -5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.659 12.115 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.374 12.461 -6.512 1.00 0.00 H new ATOM 1552 N TRP A 95 0.878 8.530 -9.535 1.00 0.00 N ATOM 1553 CA TRP A 95 -0.394 8.333 -10.208 1.00 0.00 C ATOM 1554 C TRP A 95 -0.680 6.866 -10.486 1.00 0.00 C ATOM 1555 O TRP A 95 -1.687 6.325 -10.032 1.00 0.00 O ATOM 1556 CB TRP A 95 -0.440 9.115 -11.524 1.00 0.00 C ATOM 1557 CG TRP A 95 0.766 8.920 -12.406 1.00 0.00 C ATOM 1558 CD1 TRP A 95 1.904 9.665 -12.398 1.00 0.00 C ATOM 1559 CD2 TRP A 95 0.948 7.925 -13.429 1.00 0.00 C ATOM 1560 NE1 TRP A 95 2.780 9.213 -13.359 1.00 0.00 N ATOM 1561 CE2 TRP A 95 2.215 8.148 -14.005 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.167 6.872 -13.914 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 2.712 7.362 -15.042 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 0.663 6.090 -14.941 1.00 0.00 C ATOM 1565 CH2 TRP A 95 1.923 6.341 -15.498 1.00 0.00 C ATOM 0 H TRP A 95 1.601 7.850 -9.770 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.163 8.706 -9.531 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.331 8.819 -12.077 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.542 10.176 -11.298 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.094 10.494 -11.732 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.700 9.608 -13.557 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.808 6.672 -13.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.685 7.551 -15.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.069 5.272 -15.320 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.279 5.716 -16.304 1.00 0.00 H new ATOM 1576 N GLY A 96 0.202 6.241 -11.255 1.00 0.00 N ATOM 1577 CA GLY A 96 0.029 4.842 -11.620 1.00 0.00 C ATOM 1578 C GLY A 96 -1.405 4.501 -11.988 1.00 0.00 C ATOM 1579 O GLY A 96 -1.811 4.637 -13.144 1.00 0.00 O ATOM 0 H GLY A 96 1.041 6.679 -11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.680 4.608 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.345 4.213 -10.788 1.00 0.00 H new ATOM 1583 N LYS A 97 -2.169 4.053 -10.995 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.570 3.681 -11.187 1.00 0.00 C ATOM 1585 C LYS A 97 -4.116 3.003 -9.930 1.00 0.00 C ATOM 1586 O LYS A 97 -4.873 2.036 -10.013 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.720 2.745 -12.392 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.749 3.221 -13.405 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.565 2.537 -14.751 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.699 1.027 -14.637 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.909 0.521 -15.341 1.00 0.00 N ATOM 0 H LYS A 97 -1.837 3.938 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.142 4.589 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.754 2.645 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.001 1.753 -12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.752 3.020 -13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.665 4.301 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.305 2.916 -15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.584 2.786 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.811 0.552 -15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.747 0.745 -13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.963 -0.513 -15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.759 0.955 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.852 0.767 -16.350 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.719 3.515 -8.768 1.00 0.00 N ATOM 1606 CA GLU A 98 -4.158 2.959 -7.493 1.00 0.00 C ATOM 1607 C GLU A 98 -5.623 3.290 -7.222 1.00 0.00 C ATOM 1608 O GLU A 98 -6.398 2.424 -6.817 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.282 3.490 -6.356 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.319 5.002 -6.210 1.00 0.00 C ATOM 1611 CD GLU A 98 -4.423 5.474 -5.283 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -5.247 4.634 -4.865 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -4.464 6.683 -4.975 1.00 0.00 O ATOM 0 H GLU A 98 -3.093 4.316 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.059 1.875 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.604 3.036 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.252 3.176 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.358 5.350 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.457 5.454 -7.192 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.998 4.546 -7.448 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.371 4.955 -7.217 1.00 0.00 C ATOM 1622 C GLY A 99 -7.623 6.411 -7.560 1.00 0.00 C ATOM 1623 O GLY A 99 -8.069 6.725 -8.665 1.00 0.00 O ATOM 0 H GLY A 99 -5.379 5.284 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.036 4.328 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.623 4.785 -6.170 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.351 7.300 -6.610 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.564 8.729 -6.817 1.00 0.00 C ATOM 1629 C GLN A 100 -6.404 9.555 -6.283 1.00 0.00 C ATOM 1630 O GLN A 100 -5.911 9.329 -5.179 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.866 9.172 -6.149 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.094 8.437 -6.664 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.544 7.328 -5.733 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.748 6.190 -6.157 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.703 7.654 -4.456 1.00 0.00 N ATOM 0 H GLN A 100 -6.983 7.057 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.630 8.898 -7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.784 9.017 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.000 10.242 -6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.909 9.148 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.876 8.016 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.523 8.609 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.005 6.949 -3.784 1.00 0.00 H new ATOM 1644 N PRO A 101 -5.961 10.538 -7.079 1.00 0.00 N ATOM 1645 CA PRO A 101 -4.858 11.431 -6.717 1.00 0.00 C ATOM 1646 C PRO A 101 -4.940 11.929 -5.274 1.00 0.00 C ATOM 1647 O PRO A 101 -6.025 12.196 -4.759 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.064 12.588 -7.686 1.00 0.00 C ATOM 1649 CG PRO A 101 -5.598 11.944 -8.910 1.00 0.00 C ATOM 1650 CD PRO A 101 -6.512 10.863 -8.415 1.00 0.00 C ATOM 0 HA PRO A 101 -3.887 10.941 -6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.762 13.324 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.129 13.111 -7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.135 12.661 -9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.795 11.532 -9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.545 11.207 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.504 9.996 -9.075 1.00 0.00 H new ATOM 1658 N GLY A 102 -3.781 12.054 -4.629 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.739 12.524 -3.254 1.00 0.00 C ATOM 1660 C GLY A 102 -2.667 13.575 -3.028 1.00 0.00 C ATOM 1661 O GLY A 102 -1.911 13.907 -3.942 1.00 0.00 O ATOM 0 H GLY A 102 -2.870 11.838 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.711 12.938 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.559 11.678 -2.590 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.601 14.097 -1.806 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.613 15.115 -1.456 1.00 0.00 C ATOM 1667 C GLU A 103 -0.569 14.544 -0.500 1.00 0.00 C ATOM 1668 O GLU A 103 -0.826 13.557 0.191 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.299 16.324 -0.813 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.684 17.407 -1.809 1.00 0.00 C ATOM 1671 CD GLU A 103 -1.478 18.102 -2.411 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -0.368 17.534 -2.338 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -1.644 19.213 -2.956 1.00 0.00 O ATOM 0 H GLU A 103 -3.221 13.832 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.114 15.434 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.195 15.988 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.634 16.752 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.280 16.966 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.313 18.145 -1.312 1.00 0.00 H new ATOM 1680 N TRP A 104 0.609 15.164 -0.459 1.00 0.00 N ATOM 1681 CA TRP A 104 1.673 14.693 0.428 1.00 0.00 C ATOM 1682 C TRP A 104 1.421 15.173 1.855 1.00 0.00 C ATOM 1683 O TRP A 104 1.615 16.347 2.168 1.00 0.00 O ATOM 1684 CB TRP A 104 3.057 15.184 -0.047 1.00 0.00 C ATOM 1685 CG TRP A 104 3.032 15.966 -1.327 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.672 15.510 -2.562 1.00 0.00 C ATOM 1687 CD2 TRP A 104 3.380 17.345 -1.495 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.779 16.519 -3.488 1.00 0.00 N ATOM 1689 CE2 TRP A 104 3.209 17.656 -2.857 1.00 0.00 C ATOM 1690 CE3 TRP A 104 3.818 18.349 -0.625 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 3.464 18.927 -3.369 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 4.070 19.609 -1.134 1.00 0.00 C ATOM 1693 CH2 TRP A 104 3.891 19.888 -2.495 1.00 0.00 C ATOM 0 H TRP A 104 0.850 15.981 -1.020 1.00 0.00 H new ATOM 0 HA TRP A 104 1.668 13.603 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.497 15.804 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.711 14.321 -0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.350 14.502 -2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.572 16.435 -4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 104 3.957 18.143 0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 3.329 19.145 -4.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 4.410 20.391 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 104 4.095 20.883 -2.862 1.00 0.00 H new ATOM 1704 N MET A 105 0.995 14.254 2.717 1.00 0.00 N ATOM 1705 CA MET A 105 0.723 14.583 4.113 1.00 0.00 C ATOM 1706 C MET A 105 1.573 13.748 5.061 1.00 0.00 C ATOM 1707 O MET A 105 2.119 12.716 4.676 1.00 0.00 O ATOM 1708 CB MET A 105 -0.762 14.399 4.431 1.00 0.00 C ATOM 1709 CG MET A 105 -1.227 12.955 4.376 1.00 0.00 C ATOM 1710 SD MET A 105 -2.929 12.757 4.939 1.00 0.00 S ATOM 1711 CE MET A 105 -2.764 13.181 6.671 1.00 0.00 C ATOM 0 H MET A 105 0.831 13.277 2.474 1.00 0.00 H new ATOM 0 HA MET A 105 0.988 15.630 4.260 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.963 14.798 5.425 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.350 14.987 3.727 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.141 12.587 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.570 12.341 4.992 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.582 12.733 7.235 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.814 12.804 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.795 14.265 6.785 1.00 0.00 H new ATOM 1721 N SER A 106 1.667 14.195 6.310 1.00 0.00 N ATOM 1722 CA SER A 106 2.435 13.476 7.316 1.00 0.00 C ATOM 1723 C SER A 106 1.731 12.175 7.684 1.00 0.00 C ATOM 1724 O SER A 106 0.631 12.188 8.237 1.00 0.00 O ATOM 1725 CB SER A 106 2.622 14.342 8.564 1.00 0.00 C ATOM 1726 OG SER A 106 1.545 15.248 8.723 1.00 0.00 O ATOM 0 H SER A 106 1.222 15.049 6.647 1.00 0.00 H new ATOM 0 HA SER A 106 3.416 13.243 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.698 13.704 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.558 14.895 8.490 1.00 0.00 H new ATOM 0 HG SER A 106 1.688 15.788 9.528 1.00 0.00 H new ATOM 1732 N LEU A 107 2.366 11.055 7.363 1.00 0.00 N ATOM 1733 CA LEU A 107 1.791 9.740 7.649 1.00 0.00 C ATOM 1734 C LEU A 107 1.553 9.537 9.147 1.00 0.00 C ATOM 1735 O LEU A 107 0.791 8.657 9.547 1.00 0.00 O ATOM 1736 CB LEU A 107 2.689 8.626 7.105 1.00 0.00 C ATOM 1737 CG LEU A 107 2.017 7.255 6.945 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.935 6.539 8.284 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.627 7.397 6.333 1.00 0.00 C ATOM 0 H LEU A 107 3.277 11.027 6.906 1.00 0.00 H new ATOM 0 HA LEU A 107 0.825 9.695 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.077 8.937 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.546 8.516 7.770 1.00 0.00 H new ATOM 0 HG LEU A 107 2.628 6.658 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.456 5.569 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.940 6.395 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.351 7.139 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.172 6.412 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.006 8.017 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.708 7.864 5.351 1.00 0.00 H new ATOM 1751 N VAL A 108 2.210 10.349 9.972 1.00 0.00 N ATOM 1752 CA VAL A 108 2.072 10.251 11.424 1.00 0.00 C ATOM 1753 C VAL A 108 0.609 10.320 11.875 1.00 0.00 C ATOM 1754 O VAL A 108 0.299 10.034 13.031 1.00 0.00 O ATOM 1755 CB VAL A 108 2.862 11.365 12.135 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.891 11.127 13.637 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.275 11.457 11.577 1.00 0.00 C ATOM 0 H VAL A 108 2.845 11.084 9.659 1.00 0.00 H new ATOM 0 HA VAL A 108 2.477 9.277 11.700 1.00 0.00 H new ATOM 0 HB VAL A 108 2.359 12.314 11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.454 11.925 14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.872 11.116 14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.368 10.169 13.844 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.818 12.250 12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.789 10.508 11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.231 11.680 10.511 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.285 10.693 10.963 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.694 10.782 11.296 1.00 0.00 C ATOM 1769 C GLY A 109 -2.541 9.924 10.381 1.00 0.00 C ATOM 1770 O GLY A 109 -3.542 10.380 9.827 1.00 0.00 O ATOM 0 H GLY A 109 -0.057 10.935 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.844 10.470 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.020 11.820 11.226 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.120 8.678 10.221 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.815 7.721 9.364 1.00 0.00 C ATOM 1776 C LEU A 110 -4.237 7.470 9.865 1.00 0.00 C ATOM 1777 O LEU A 110 -4.495 7.512 11.068 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.029 6.409 9.337 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.255 5.509 8.120 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.320 6.323 6.835 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -1.147 4.473 8.042 1.00 0.00 C ATOM 0 H LEU A 110 -1.290 8.300 10.678 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.882 8.133 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.967 6.645 9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.279 5.842 10.233 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.213 5.003 8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.481 5.655 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.143 7.035 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.383 6.862 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.308 3.832 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.185 4.976 7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.152 3.866 8.948 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.161 7.232 8.934 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.559 7.002 9.293 1.00 0.00 C ATOM 1795 C ASN A 111 -7.093 5.669 8.776 1.00 0.00 C ATOM 1796 O ASN A 111 -7.458 5.545 7.606 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.428 8.149 8.768 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.177 8.861 9.877 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -9.366 9.156 9.749 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.484 9.142 10.975 1.00 0.00 N ATOM 0 H ASN A 111 -4.968 7.194 7.933 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.605 6.964 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.799 8.866 8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.142 7.758 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.935 9.620 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.500 8.879 11.039 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.169 4.684 9.668 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.699 3.371 9.317 1.00 0.00 C ATOM 1809 C ALA A 112 -9.217 3.441 9.138 1.00 0.00 C ATOM 1810 O ALA A 112 -9.826 2.558 8.537 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.347 2.345 10.382 1.00 0.00 C ATOM 0 H ALA A 112 -6.870 4.771 10.639 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.245 3.062 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.752 1.373 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.263 2.273 10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.773 2.652 11.337 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.825 4.494 9.681 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.269 4.679 9.587 1.00 0.00 C ATOM 1819 C ASP A 113 -11.660 5.232 8.218 1.00 0.00 C ATOM 1820 O ASP A 113 -12.649 4.804 7.624 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.785 5.615 10.694 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.683 6.306 11.476 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.732 6.811 10.841 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.770 6.342 12.721 1.00 0.00 O ATOM 0 H ASP A 113 -9.339 5.232 10.191 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.731 3.701 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.429 6.372 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.402 5.040 11.385 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.882 6.195 7.730 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.151 6.821 6.441 1.00 0.00 C ATOM 1831 C ASP A 114 -10.680 5.952 5.274 1.00 0.00 C ATOM 1832 O ASP A 114 -10.833 6.332 4.113 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.478 8.190 6.373 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.476 9.330 6.428 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.190 9.544 5.425 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.545 10.008 7.474 1.00 0.00 O ATOM 0 H ASP A 114 -10.059 6.559 8.210 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.231 6.938 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.774 8.287 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.899 8.262 5.452 1.00 0.00 H new ATOM 1841 N PHE A 115 -10.106 4.791 5.577 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.623 3.891 4.536 1.00 0.00 C ATOM 1843 C PHE A 115 -10.363 2.552 4.595 1.00 0.00 C ATOM 1844 O PHE A 115 -11.047 2.259 5.576 1.00 0.00 O ATOM 1845 CB PHE A 115 -8.095 3.729 4.653 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.612 2.470 5.316 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.257 1.961 6.423 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.490 1.814 4.837 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.796 0.819 7.046 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -6.027 0.672 5.451 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.679 0.174 6.558 1.00 0.00 C ATOM 0 H PHE A 115 -9.965 4.453 6.529 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.832 4.320 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.668 3.775 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.701 4.581 5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.133 2.462 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.973 2.203 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.309 0.431 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.154 0.167 5.065 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.316 -0.720 7.043 1.00 0.00 H new ATOM 1861 N PRO A 116 -10.258 1.728 3.538 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.943 0.432 3.479 1.00 0.00 C ATOM 1863 C PRO A 116 -10.627 -0.455 4.682 1.00 0.00 C ATOM 1864 O PRO A 116 -9.467 -0.611 5.061 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.417 -0.211 2.186 1.00 0.00 C ATOM 1866 CG PRO A 116 -9.244 0.614 1.773 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.488 1.992 2.315 1.00 0.00 C ATOM 0 HA PRO A 116 -12.026 0.555 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.126 -1.248 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -11.184 -0.217 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.317 0.199 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.146 0.635 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.555 2.514 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -10.045 2.611 1.612 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.665 -1.050 5.303 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.494 -1.926 6.467 1.00 0.00 C ATOM 1877 C PRO A 117 -10.805 -3.239 6.112 1.00 0.00 C ATOM 1878 O PRO A 117 -10.250 -3.913 6.981 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.927 -2.183 6.936 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.764 -1.993 5.721 1.00 0.00 C ATOM 1881 CD PRO A 117 -13.084 -0.920 4.917 1.00 0.00 C ATOM 0 HA PRO A 117 -10.859 -1.470 7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -13.037 -3.190 7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.215 -1.490 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.841 -2.919 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.779 -1.698 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.225 -1.070 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.476 0.069 5.154 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.842 -3.599 4.833 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.215 -4.832 4.373 1.00 0.00 C ATOM 1891 C ALA A 118 -8.710 -4.798 4.603 1.00 0.00 C ATOM 1892 O ALA A 118 -8.048 -5.836 4.619 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.523 -5.067 2.902 1.00 0.00 C ATOM 0 H ALA A 118 -11.298 -3.056 4.099 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.627 -5.658 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.048 -5.991 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.601 -5.145 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.141 -4.234 2.313 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.176 -3.596 4.782 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.752 -3.416 5.014 1.00 0.00 C ATOM 1901 C ASN A 119 -6.483 -2.937 6.443 1.00 0.00 C ATOM 1902 O ASN A 119 -5.336 -2.708 6.827 1.00 0.00 O ATOM 1903 CB ASN A 119 -6.202 -2.411 4.001 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.166 -3.024 3.081 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.316 -4.159 2.626 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.107 -2.275 2.802 1.00 0.00 N ATOM 0 H ASN A 119 -8.713 -2.729 4.770 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.249 -4.375 4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.024 -2.014 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.759 -1.569 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.376 -2.634 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.024 -1.340 3.201 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.554 -2.779 7.223 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.456 -2.317 8.608 1.00 0.00 C ATOM 1915 C GLU A 120 -6.600 -3.232 9.493 1.00 0.00 C ATOM 1916 O GLU A 120 -5.982 -2.757 10.438 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.853 -2.173 9.214 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.089 -0.833 9.890 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.826 -0.967 11.209 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -9.166 -1.252 12.232 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -11.061 -0.784 11.221 1.00 0.00 O ATOM 0 H GLU A 120 -8.508 -2.966 6.915 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.956 -1.349 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.596 -2.310 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.008 -2.970 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.131 -0.343 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.661 -0.189 9.222 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.564 -4.554 9.243 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.786 -5.480 10.077 1.00 0.00 C ATOM 1930 C PRO A 121 -4.387 -4.972 10.421 1.00 0.00 C ATOM 1931 O PRO A 121 -3.991 -4.967 11.587 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.676 -6.707 9.184 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.955 -6.715 8.425 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.289 -5.270 8.169 1.00 0.00 C ATOM 0 HA PRO A 121 -6.263 -5.643 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.816 -6.640 8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.554 -7.618 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.851 -7.264 7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.745 -7.204 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.960 -4.951 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.363 -5.091 8.221 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.641 -4.552 9.408 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.285 -4.050 9.616 1.00 0.00 C ATOM 1944 C VAL A 122 -2.309 -2.620 10.138 1.00 0.00 C ATOM 1945 O VAL A 122 -1.693 -2.305 11.156 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.432 -4.090 8.322 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -0.156 -4.889 8.543 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.215 -4.644 7.138 1.00 0.00 C ATOM 0 H VAL A 122 -3.949 -4.548 8.436 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.828 -4.711 10.352 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.163 -3.062 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.428 -4.904 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.430 -4.426 9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.411 -5.910 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.578 -4.654 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.542 -5.660 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.086 -4.015 6.952 1.00 0.00 H new ATOM 1958 N ILE A 123 -3.023 -1.760 9.423 1.00 0.00 N ATOM 1959 CA ILE A 123 -3.139 -0.357 9.790 1.00 0.00 C ATOM 1960 C ILE A 123 -3.704 -0.200 11.193 1.00 0.00 C ATOM 1961 O ILE A 123 -3.401 0.758 11.885 1.00 0.00 O ATOM 1962 CB ILE A 123 -4.023 0.405 8.782 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -3.300 0.503 7.437 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -4.381 1.792 9.305 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.323 1.653 7.359 1.00 0.00 C ATOM 0 H ILE A 123 -3.534 -2.014 8.578 1.00 0.00 H new ATOM 0 HA ILE A 123 -2.136 0.069 9.771 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.954 -0.145 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.767 -0.429 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.039 0.611 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -5.005 2.307 8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.926 1.697 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.469 2.365 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.848 1.661 6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.854 2.593 7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.562 1.536 8.130 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.513 -1.159 11.605 1.00 0.00 N ATOM 1978 CA ALA A 124 -5.105 -1.128 12.934 1.00 0.00 C ATOM 1979 C ALA A 124 -4.004 -1.071 13.985 1.00 0.00 C ATOM 1980 O ALA A 124 -4.030 -0.240 14.893 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.994 -2.344 13.151 1.00 0.00 C ATOM 0 H ALA A 124 -4.776 -1.968 11.042 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.726 -0.237 13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.428 -2.304 14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.792 -2.348 12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.400 -3.252 13.050 1.00 0.00 H new ATOM 1987 N LYS A 125 -3.056 -1.994 13.867 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.959 -2.091 14.821 1.00 0.00 C ATOM 1989 C LYS A 125 -1.224 -0.762 14.957 1.00 0.00 C ATOM 1990 O LYS A 125 -0.962 -0.303 16.069 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.980 -3.189 14.394 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.207 -4.514 15.104 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.051 -4.859 16.029 1.00 0.00 C ATOM 1994 CE LYS A 125 0.130 -3.808 17.112 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.499 -3.839 17.696 1.00 0.00 N ATOM 0 H LYS A 125 -3.026 -2.686 13.119 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.383 -2.346 15.792 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.066 -3.343 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.038 -2.852 14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.132 -4.465 15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.332 -5.306 14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.230 -5.830 16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.867 -4.946 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.064 -2.820 16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.604 -3.970 17.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.580 -3.107 18.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.675 -4.773 18.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.199 -3.659 16.949 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.896 -0.146 13.832 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.190 1.135 13.841 1.00 0.00 C ATOM 2011 C LEU A 126 -1.151 2.280 14.139 1.00 0.00 C ATOM 2012 O LEU A 126 -0.879 3.127 14.985 1.00 0.00 O ATOM 2013 CB LEU A 126 0.503 1.369 12.497 1.00 0.00 C ATOM 2014 CG LEU A 126 1.892 2.002 12.588 1.00 0.00 C ATOM 2015 CD1 LEU A 126 1.832 3.317 13.351 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.871 1.044 13.251 1.00 0.00 C ATOM 0 H LEU A 126 -1.105 -0.507 12.901 1.00 0.00 H new ATOM 0 HA LEU A 126 0.564 1.103 14.628 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.589 0.414 11.978 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.132 2.009 11.884 1.00 0.00 H new ATOM 0 HG LEU A 126 2.243 2.208 11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.830 3.752 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.163 4.006 12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.460 3.136 14.359 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.855 1.510 13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.523 0.807 14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.937 0.128 12.664 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.259 2.308 13.409 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.267 3.357 13.552 1.00 0.00 C ATOM 2030 C LYS A 127 -3.661 3.539 15.004 1.00 0.00 C ATOM 2031 O LYS A 127 -3.903 4.658 15.457 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.506 3.009 12.739 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.701 3.913 13.010 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.973 3.111 13.239 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.316 3.018 14.717 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.910 1.699 15.068 1.00 0.00 N ATOM 0 H LYS A 127 -2.486 1.608 12.703 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.834 4.287 13.185 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -4.258 3.060 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.789 1.978 12.951 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.498 4.531 13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.844 4.589 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.799 3.576 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.851 2.108 12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.415 3.180 15.309 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.016 3.812 14.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.129 1.677 16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.783 1.555 14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.233 0.942 14.843 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.701 2.441 15.738 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.039 2.500 17.148 1.00 0.00 C ATOM 2052 C ARG A 128 -2.979 3.312 17.886 1.00 0.00 C ATOM 2053 O ARG A 128 -3.157 3.680 19.048 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.142 1.089 17.729 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.271 1.055 19.244 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.474 -0.361 19.754 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.217 -1.103 19.828 1.00 0.00 N ATOM 2058 CZ ARG A 128 -2.309 -0.929 20.787 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.513 -0.039 21.750 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.194 -1.647 20.782 1.00 0.00 N ATOM 0 H ARG A 128 -3.505 1.505 15.384 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.007 2.985 17.270 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.004 0.588 17.289 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.259 0.521 17.436 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.375 1.481 19.696 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.111 1.678 19.553 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.934 -0.328 20.742 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -5.167 -0.887 19.097 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.024 -1.794 19.103 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.369 0.516 21.758 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.814 0.090 22.482 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.032 -2.332 20.044 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.498 -1.514 21.516 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.876 3.599 17.185 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.776 4.383 17.747 1.00 0.00 C ATOM 2076 C LEU A 129 -0.474 3.971 19.187 1.00 0.00 C ATOM 2077 O LEU A 129 -0.847 2.882 19.623 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.109 5.879 17.684 1.00 0.00 C ATOM 2079 CG LEU A 129 -0.588 6.615 16.442 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -0.905 5.831 15.178 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -1.182 8.016 16.362 1.00 0.00 C ATOM 0 H LEU A 129 -1.724 3.297 16.223 1.00 0.00 H new ATOM 0 HA LEU A 129 0.115 4.187 17.150 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.192 5.996 17.728 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.700 6.363 18.571 1.00 0.00 H new ATOM 0 HG LEU A 129 0.495 6.702 16.528 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.527 6.371 14.310 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.432 4.850 15.230 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.984 5.709 15.087 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.801 8.523 15.475 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.268 7.948 16.303 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.902 8.581 17.251 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -2.657 -2.683 -9.089 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -8.393 -6.806 -7.305 1.00 20.00 O HETATM 2096 P 8OG A 131 -8.529 -7.966 -6.197 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -8.831 -9.242 -6.884 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -9.442 -7.487 -5.135 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -7.037 -8.042 -5.598 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -6.660 -9.133 -4.754 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -7.538 -9.187 -3.502 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -8.952 -9.357 -3.646 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -7.157 -10.349 -2.582 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -6.661 -9.882 -1.325 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -8.410 -11.214 -2.407 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -9.552 -10.584 -3.210 1.00 20.00 C HETATM 2107 N9 8OG A 131 -10.352 -11.503 -4.051 1.00 20.00 N HETATM 2108 C8 8OG A 131 -9.758 -12.319 -4.976 1.00 20.00 C HETATM 2109 N7 8OG A 131 -10.799 -13.005 -5.545 1.00 20.00 N HETATM 2110 C5 8OG A 131 -11.999 -12.636 -4.997 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.289 -12.990 -5.188 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.553 -13.878 -6.071 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.341 -12.435 -4.469 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.037 -11.487 -3.529 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.054 -10.954 -2.840 1.00 20.00 N HETATM 2116 N3 8OG A 131 -12.736 -11.051 -3.256 1.00 20.00 N HETATM 2117 C4 8OG A 131 -11.732 -11.676 -4.040 1.00 20.00 C HETATM 2118 O8 8OG A 131 -8.512 -12.418 -5.250 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -7.413 -9.632 -0.749 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -6.747 -10.070 -5.304 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -8.220 -12.230 -2.752 1.00 20.00 H new HETATM 0 H7 8OG A 131 -10.694 -13.702 -6.283 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -5.614 -9.029 -4.465 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -7.342 -8.184 -3.124 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -6.350 -10.934 -3.022 1.00 20.00 H new HETATM 0 H22 8OG A 131 -14.873 -10.244 -2.130 1.00 20.00 H new HETATM 0 H21 8OG A 131 -16.010 -11.258 -3.025 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -8.680 -11.281 -1.353 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -10.476 -10.323 -2.695 1.00 20.00 H new HETATM 0 H1 8OG A 131 -15.305 -12.724 -4.636 1.00 20.00 H new HETATM 2131 O HOH A5239 -3.928 -1.413 -7.983 1.00 0.00 O HETATM 2132 O HOH A5240 -4.333 -3.743 -9.811 1.00 0.00 O