USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 THR OG1 : rot 103:sc= 0.617 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.487 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0588) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -24:sc= -0.575 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.489) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= -0.439 (180deg=-1.52!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.294 F(o=-0.95,f=-0.29) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.021) USER MOD Single : A 36 THR OG1 : rot -88:sc= -0.96 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.0642 (180deg=-0.623) USER MOD Single : A 44 TYR OH : rot -153:sc= 0.0621 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.43 F(o=-4.5,f=-2.4) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.089) USER MOD Single : A 69 TYR OH : rot -131:sc= 1.25 USER MOD Single : A 70 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.00605) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.1!) USER MOD Single : A 76 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.1!) USER MOD Single : A 86 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.297 -6.341 14.462 1.00 0.00 N ATOM 2 CA MET A 1 0.920 -5.157 13.814 1.00 0.00 C ATOM 3 C MET A 1 1.597 -5.539 12.501 1.00 0.00 C ATOM 4 O MET A 1 1.502 -4.818 11.509 1.00 0.00 O ATOM 5 CB MET A 1 1.939 -4.552 14.782 1.00 0.00 C ATOM 6 CG MET A 1 1.740 -3.062 15.020 1.00 0.00 C ATOM 7 SD MET A 1 1.566 -2.651 16.768 1.00 0.00 S ATOM 8 CE MET A 1 3.215 -2.061 17.144 1.00 0.00 C ATOM 0 H1 MET A 1 -0.269 -6.032 15.278 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.318 -6.828 13.779 1.00 0.00 H new ATOM 0 H3 MET A 1 1.041 -6.993 14.783 1.00 0.00 H new ATOM 0 HA MET A 1 0.146 -4.426 13.581 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.877 -5.076 15.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.943 -4.719 14.391 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.588 -2.516 14.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.852 -2.728 14.483 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.266 -1.768 18.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.938 -2.854 16.953 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.446 -1.201 16.515 1.00 0.00 H new ATOM 20 N LEU A 2 2.280 -6.680 12.505 1.00 0.00 N ATOM 21 CA LEU A 2 2.974 -7.163 11.316 1.00 0.00 C ATOM 22 C LEU A 2 4.083 -6.200 10.904 1.00 0.00 C ATOM 23 O LEU A 2 3.909 -4.982 10.945 1.00 0.00 O ATOM 24 CB LEU A 2 1.987 -7.347 10.161 1.00 0.00 C ATOM 25 CG LEU A 2 0.647 -7.978 10.549 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.483 -6.968 10.407 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.369 -9.210 9.700 1.00 0.00 C ATOM 0 H LEU A 2 2.368 -7.288 13.319 1.00 0.00 H new ATOM 0 HA LEU A 2 3.424 -8.126 11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.796 -6.374 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.456 -7.968 9.397 1.00 0.00 H new ATOM 0 HG LEU A 2 0.705 -8.285 11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.427 -7.436 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.293 -6.115 11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.540 -6.628 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.588 -9.644 9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.334 -8.927 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.161 -9.943 9.852 1.00 0.00 H new ATOM 39 N THR A 3 5.224 -6.754 10.506 1.00 0.00 N ATOM 40 CA THR A 3 6.361 -5.942 10.086 1.00 0.00 C ATOM 41 C THR A 3 6.060 -5.225 8.774 1.00 0.00 C ATOM 42 O THR A 3 4.943 -5.294 8.259 1.00 0.00 O ATOM 43 CB THR A 3 7.609 -6.813 9.930 1.00 0.00 C ATOM 44 OG1 THR A 3 7.442 -8.056 10.588 1.00 0.00 O ATOM 45 CG2 THR A 3 8.861 -6.166 10.478 1.00 0.00 C ATOM 0 H THR A 3 5.386 -7.760 10.465 1.00 0.00 H new ATOM 0 HA THR A 3 6.545 -5.193 10.856 1.00 0.00 H new ATOM 0 HB THR A 3 7.731 -6.951 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.250 -8.753 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.709 -6.836 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.046 -5.229 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.731 -5.966 11.542 1.00 0.00 H new ATOM 53 N ILE A 4 7.062 -4.537 8.238 1.00 0.00 N ATOM 54 CA ILE A 4 6.906 -3.808 6.990 1.00 0.00 C ATOM 55 C ILE A 4 8.080 -4.068 6.051 1.00 0.00 C ATOM 56 O ILE A 4 9.232 -3.798 6.391 1.00 0.00 O ATOM 57 CB ILE A 4 6.788 -2.293 7.240 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.709 -2.010 8.288 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.477 -1.566 5.943 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.243 -1.956 9.703 1.00 0.00 C ATOM 0 H ILE A 4 7.992 -4.470 8.651 1.00 0.00 H new ATOM 0 HA ILE A 4 5.988 -4.166 6.525 1.00 0.00 H new ATOM 0 HB ILE A 4 7.742 -1.926 7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.226 -1.061 8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.942 -2.782 8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.397 -0.496 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.276 -1.746 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.534 -1.933 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.424 -1.752 10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.701 -2.912 9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.989 -1.165 9.780 1.00 0.00 H new ATOM 72 N GLU A 5 7.779 -4.594 4.868 1.00 0.00 N ATOM 73 CA GLU A 5 8.808 -4.889 3.877 1.00 0.00 C ATOM 74 C GLU A 5 8.631 -4.016 2.638 1.00 0.00 C ATOM 75 O GLU A 5 7.573 -3.421 2.433 1.00 0.00 O ATOM 76 CB GLU A 5 8.763 -6.369 3.489 1.00 0.00 C ATOM 77 CG GLU A 5 9.877 -7.195 4.112 1.00 0.00 C ATOM 78 CD GLU A 5 11.143 -7.189 3.276 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.908 -6.206 3.363 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.369 -8.169 2.536 1.00 0.00 O ATOM 0 H GLU A 5 6.831 -4.825 4.572 1.00 0.00 H new ATOM 0 HA GLU A 5 9.780 -4.669 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.802 -6.786 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.822 -6.454 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.100 -6.807 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.535 -8.222 4.240 1.00 0.00 H new ATOM 87 N THR A 6 9.672 -3.944 1.816 1.00 0.00 N ATOM 88 CA THR A 6 9.628 -3.143 0.598 1.00 0.00 C ATOM 89 C THR A 6 10.052 -3.965 -0.613 1.00 0.00 C ATOM 90 O THR A 6 10.779 -4.951 -0.484 1.00 0.00 O ATOM 91 CB THR A 6 10.529 -1.916 0.737 1.00 0.00 C ATOM 92 OG1 THR A 6 11.895 -2.292 0.726 1.00 0.00 O ATOM 93 CG2 THR A 6 10.279 -1.128 2.005 1.00 0.00 C ATOM 0 H THR A 6 10.556 -4.430 1.970 1.00 0.00 H new ATOM 0 HA THR A 6 8.599 -2.815 0.448 1.00 0.00 H new ATOM 0 HB THR A 6 10.287 -1.283 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.455 -1.493 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.952 -0.271 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.246 -0.779 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.458 -1.765 2.871 1.00 0.00 H new ATOM 101 N SER A 7 9.592 -3.553 -1.792 1.00 0.00 N ATOM 102 CA SER A 7 9.920 -4.253 -3.028 1.00 0.00 C ATOM 103 C SER A 7 11.042 -3.541 -3.778 1.00 0.00 C ATOM 104 O SER A 7 11.570 -2.530 -3.314 1.00 0.00 O ATOM 105 CB SER A 7 8.685 -4.358 -3.922 1.00 0.00 C ATOM 106 OG SER A 7 7.807 -5.372 -3.466 1.00 0.00 O ATOM 0 H SER A 7 8.991 -2.738 -1.916 1.00 0.00 H new ATOM 0 HA SER A 7 10.260 -5.255 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.163 -3.401 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.991 -4.572 -4.946 1.00 0.00 H new ATOM 0 HG SER A 7 8.312 -6.032 -2.946 1.00 0.00 H new ATOM 112 N LYS A 8 11.400 -4.077 -4.941 1.00 0.00 N ATOM 113 CA LYS A 8 12.458 -3.495 -5.758 1.00 0.00 C ATOM 114 C LYS A 8 11.976 -2.219 -6.441 1.00 0.00 C ATOM 115 O LYS A 8 12.669 -1.202 -6.438 1.00 0.00 O ATOM 116 CB LYS A 8 12.931 -4.501 -6.810 1.00 0.00 C ATOM 117 CG LYS A 8 11.827 -4.977 -7.741 1.00 0.00 C ATOM 118 CD LYS A 8 12.339 -6.010 -8.733 1.00 0.00 C ATOM 119 CE LYS A 8 12.533 -5.410 -10.116 1.00 0.00 C ATOM 120 NZ LYS A 8 11.992 -6.293 -11.186 1.00 0.00 N ATOM 0 H LYS A 8 10.973 -4.914 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 8 13.293 -3.244 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.724 -4.046 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.366 -5.364 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.015 -5.406 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.414 -4.126 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.285 -6.419 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.634 -6.840 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.040 -4.439 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.595 -5.237 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.144 -5.848 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.480 -7.211 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.973 -6.438 -11.034 1.00 0.00 H new ATOM 134 N LYS A 9 10.783 -2.282 -7.025 1.00 0.00 N ATOM 135 CA LYS A 9 10.207 -1.131 -7.712 1.00 0.00 C ATOM 136 C LYS A 9 9.882 -0.012 -6.727 1.00 0.00 C ATOM 137 O LYS A 9 9.914 1.167 -7.078 1.00 0.00 O ATOM 138 CB LYS A 9 8.942 -1.544 -8.467 1.00 0.00 C ATOM 139 CG LYS A 9 7.833 -2.054 -7.562 1.00 0.00 C ATOM 140 CD LYS A 9 7.210 -3.332 -8.105 1.00 0.00 C ATOM 141 CE LYS A 9 7.701 -4.556 -7.349 1.00 0.00 C ATOM 142 NZ LYS A 9 6.984 -5.791 -7.767 1.00 0.00 N ATOM 0 H LYS A 9 10.197 -3.117 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 9 10.944 -0.759 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.573 -0.690 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.197 -2.320 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.232 -2.238 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.064 -1.288 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.124 -3.269 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.452 -3.435 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.770 -4.682 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.564 -4.401 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.113 -6.529 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.970 -5.585 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.367 -6.124 -8.675 1.00 0.00 H new ATOM 156 N PHE A 10 9.570 -0.391 -5.490 1.00 0.00 N ATOM 157 CA PHE A 10 9.240 0.582 -4.455 1.00 0.00 C ATOM 158 C PHE A 10 10.386 1.565 -4.244 1.00 0.00 C ATOM 159 O PHE A 10 10.164 2.759 -4.039 1.00 0.00 O ATOM 160 CB PHE A 10 8.914 -0.133 -3.140 1.00 0.00 C ATOM 161 CG PHE A 10 7.696 0.410 -2.449 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.775 1.559 -1.679 1.00 0.00 C ATOM 163 CD2 PHE A 10 6.472 -0.229 -2.569 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.656 2.062 -1.042 1.00 0.00 C ATOM 165 CE2 PHE A 10 5.351 0.268 -1.935 1.00 0.00 C ATOM 166 CZ PHE A 10 5.442 1.415 -1.171 1.00 0.00 C ATOM 0 H PHE A 10 9.539 -1.363 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 10 8.364 1.142 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.766 -1.194 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.769 -0.051 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.722 2.068 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.394 -1.126 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.731 2.959 -0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.403 -0.240 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.566 1.806 -0.675 1.00 0.00 H new ATOM 176 N ASP A 11 11.613 1.057 -4.298 1.00 0.00 N ATOM 177 CA ASP A 11 12.795 1.892 -4.116 1.00 0.00 C ATOM 178 C ASP A 11 12.876 2.960 -5.203 1.00 0.00 C ATOM 179 O ASP A 11 13.352 4.069 -4.964 1.00 0.00 O ATOM 180 CB ASP A 11 14.059 1.032 -4.133 1.00 0.00 C ATOM 181 CG ASP A 11 15.304 1.830 -3.797 1.00 0.00 C ATOM 182 OD1 ASP A 11 15.211 2.750 -2.957 1.00 0.00 O ATOM 183 OD2 ASP A 11 16.373 1.534 -4.373 1.00 0.00 O ATOM 0 H ASP A 11 11.815 0.071 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 11 12.716 2.388 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.950 0.216 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.175 0.580 -5.118 1.00 0.00 H new ATOM 188 N LYS A 12 12.406 2.615 -6.397 1.00 0.00 N ATOM 189 CA LYS A 12 12.422 3.542 -7.523 1.00 0.00 C ATOM 190 C LYS A 12 11.138 4.366 -7.576 1.00 0.00 C ATOM 191 O LYS A 12 11.104 5.442 -8.172 1.00 0.00 O ATOM 192 CB LYS A 12 12.604 2.778 -8.835 1.00 0.00 C ATOM 193 CG LYS A 12 13.949 2.079 -8.951 1.00 0.00 C ATOM 194 CD LYS A 12 13.810 0.572 -8.799 1.00 0.00 C ATOM 195 CE LYS A 12 15.154 -0.088 -8.539 1.00 0.00 C ATOM 196 NZ LYS A 12 15.653 0.188 -7.164 1.00 0.00 N ATOM 0 H LYS A 12 12.009 1.700 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 12 13.261 4.224 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.810 2.037 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.491 3.472 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.397 2.308 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.626 2.462 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.129 0.349 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.367 0.153 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.063 -1.165 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.881 0.271 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.692 0.226 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.276 1.099 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.340 -0.569 -6.523 1.00 0.00 H new ATOM 210 N ASP A 13 10.082 3.855 -6.949 1.00 0.00 N ATOM 211 CA ASP A 13 8.797 4.543 -6.927 1.00 0.00 C ATOM 212 C ASP A 13 8.787 5.658 -5.885 1.00 0.00 C ATOM 213 O ASP A 13 8.034 6.625 -6.006 1.00 0.00 O ATOM 214 CB ASP A 13 7.671 3.550 -6.636 1.00 0.00 C ATOM 215 CG ASP A 13 7.325 2.701 -7.844 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.669 3.105 -8.973 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.710 1.629 -7.658 1.00 0.00 O ATOM 0 H ASP A 13 10.092 2.966 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 13 8.638 4.990 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.966 2.901 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.784 4.095 -6.312 1.00 0.00 H new ATOM 222 N LEU A 14 9.619 5.515 -4.857 1.00 0.00 N ATOM 223 CA LEU A 14 9.697 6.510 -3.793 1.00 0.00 C ATOM 224 C LEU A 14 10.717 7.595 -4.124 1.00 0.00 C ATOM 225 O LEU A 14 10.503 8.771 -3.833 1.00 0.00 O ATOM 226 CB LEU A 14 10.056 5.836 -2.466 1.00 0.00 C ATOM 227 CG LEU A 14 8.991 5.950 -1.375 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.679 5.341 -1.843 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.466 5.278 -0.094 1.00 0.00 C ATOM 0 H LEU A 14 10.248 4.721 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 14 8.719 6.983 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.251 4.780 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.984 6.271 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 14 8.823 7.007 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.934 5.432 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.331 5.866 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.831 4.288 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.696 5.369 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.663 4.224 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.380 5.760 0.252 1.00 0.00 H new ATOM 241 N LYS A 15 11.831 7.193 -4.729 1.00 0.00 N ATOM 242 CA LYS A 15 12.886 8.135 -5.093 1.00 0.00 C ATOM 243 C LYS A 15 12.354 9.227 -6.014 1.00 0.00 C ATOM 244 O LYS A 15 12.846 10.356 -6.002 1.00 0.00 O ATOM 245 CB LYS A 15 14.048 7.400 -5.765 1.00 0.00 C ATOM 246 CG LYS A 15 13.692 6.806 -7.118 1.00 0.00 C ATOM 247 CD LYS A 15 14.878 6.081 -7.735 1.00 0.00 C ATOM 248 CE LYS A 15 14.659 5.813 -9.214 1.00 0.00 C ATOM 249 NZ LYS A 15 15.907 5.360 -9.887 1.00 0.00 N ATOM 0 H LYS A 15 12.027 6.223 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 15 13.246 8.606 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.881 8.092 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.392 6.602 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.859 6.113 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.359 7.598 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.780 6.678 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.041 5.138 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.886 5.054 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.295 6.720 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.715 5.188 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.638 6.094 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.241 4.481 -9.443 1.00 0.00 H new ATOM 263 N ILE A 16 11.349 8.886 -6.815 1.00 0.00 N ATOM 264 CA ILE A 16 10.755 9.841 -7.743 1.00 0.00 C ATOM 265 C ILE A 16 9.678 10.678 -7.058 1.00 0.00 C ATOM 266 O ILE A 16 9.439 11.826 -7.435 1.00 0.00 O ATOM 267 CB ILE A 16 10.140 9.129 -8.964 1.00 0.00 C ATOM 268 CG1 ILE A 16 11.166 8.193 -9.606 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.636 10.147 -9.977 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.339 8.916 -10.230 1.00 0.00 C ATOM 0 H ILE A 16 10.930 7.957 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 16 11.558 10.496 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 16 9.292 8.533 -8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.537 7.501 -8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.671 7.594 -10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.205 9.627 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.875 10.775 -9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.466 10.769 -10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.025 8.189 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.979 9.588 -11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.859 9.493 -9.465 1.00 0.00 H new ATOM 282 N LEU A 17 9.033 10.098 -6.052 1.00 0.00 N ATOM 283 CA LEU A 17 7.983 10.794 -5.316 1.00 0.00 C ATOM 284 C LEU A 17 8.580 11.725 -4.265 1.00 0.00 C ATOM 285 O LEU A 17 8.062 12.816 -4.022 1.00 0.00 O ATOM 286 CB LEU A 17 7.044 9.786 -4.650 1.00 0.00 C ATOM 287 CG LEU A 17 5.934 9.240 -5.548 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.291 8.016 -4.918 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.892 10.314 -5.819 1.00 0.00 C ATOM 0 H LEU A 17 9.218 9.149 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 17 7.414 11.395 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.637 8.949 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.587 10.259 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 17 6.375 8.942 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.503 7.642 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.044 7.241 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.863 8.286 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.109 9.908 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.455 10.643 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.364 11.162 -6.315 1.00 0.00 H new ATOM 301 N VAL A 18 9.671 11.288 -3.647 1.00 0.00 N ATOM 302 CA VAL A 18 10.340 12.082 -2.622 1.00 0.00 C ATOM 303 C VAL A 18 10.811 13.421 -3.184 1.00 0.00 C ATOM 304 O VAL A 18 10.948 14.399 -2.449 1.00 0.00 O ATOM 305 CB VAL A 18 11.545 11.329 -2.026 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.587 11.045 -3.097 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.154 12.118 -0.875 1.00 0.00 C ATOM 0 H VAL A 18 10.112 10.388 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 18 9.610 12.262 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 18 11.192 10.374 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.429 10.513 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.144 10.433 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.936 11.985 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.003 11.570 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.489 13.090 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.406 12.260 -0.095 1.00 0.00 H new ATOM 317 N LYS A 19 11.055 13.458 -4.490 1.00 0.00 N ATOM 318 CA LYS A 19 11.509 14.679 -5.149 1.00 0.00 C ATOM 319 C LYS A 19 10.320 15.498 -5.635 1.00 0.00 C ATOM 320 O LYS A 19 10.288 16.720 -5.484 1.00 0.00 O ATOM 321 CB LYS A 19 12.425 14.338 -6.325 1.00 0.00 C ATOM 322 CG LYS A 19 13.323 15.489 -6.750 1.00 0.00 C ATOM 323 CD LYS A 19 12.691 16.305 -7.867 1.00 0.00 C ATOM 324 CE LYS A 19 13.626 17.400 -8.354 1.00 0.00 C ATOM 325 NZ LYS A 19 13.009 18.216 -9.437 1.00 0.00 N ATOM 0 H LYS A 19 10.946 12.658 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 19 12.069 15.272 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.046 13.484 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.814 14.032 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.520 16.134 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.285 15.098 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.434 15.648 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.761 16.750 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.893 18.047 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.551 16.952 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.678 18.952 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.777 17.603 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.140 18.664 -9.082 1.00 0.00 H new ATOM 339 N ASN A 20 9.341 14.813 -6.217 1.00 0.00 N ATOM 340 CA ASN A 20 8.143 15.469 -6.724 1.00 0.00 C ATOM 341 C ASN A 20 7.293 15.999 -5.570 1.00 0.00 C ATOM 342 O ASN A 20 6.600 17.007 -5.710 1.00 0.00 O ATOM 343 CB ASN A 20 7.339 14.485 -7.587 1.00 0.00 C ATOM 344 CG ASN A 20 5.853 14.794 -7.619 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.150 14.406 -6.563 1.00 0.00 O flip ATOM 346 ND2 ASN A 20 5.346 15.373 -8.580 1.00 0.00 N flip ATOM 0 H ASN A 20 9.355 13.802 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 20 8.437 16.318 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.729 14.502 -8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.485 13.474 -7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.926 15.653 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.346 15.573 -8.585 1.00 0.00 H new ATOM 353 N GLY A 21 7.350 15.312 -4.434 1.00 0.00 N ATOM 354 CA GLY A 21 6.581 15.729 -3.276 1.00 0.00 C ATOM 355 C GLY A 21 6.137 14.556 -2.424 1.00 0.00 C ATOM 356 O GLY A 21 4.994 14.109 -2.519 1.00 0.00 O ATOM 0 H GLY A 21 7.915 14.474 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.181 16.408 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.705 16.287 -3.607 1.00 0.00 H new ATOM 360 N PHE A 22 7.043 14.055 -1.591 1.00 0.00 N ATOM 361 CA PHE A 22 6.739 12.926 -0.720 1.00 0.00 C ATOM 362 C PHE A 22 7.682 12.892 0.477 1.00 0.00 C ATOM 363 O PHE A 22 8.650 13.650 0.542 1.00 0.00 O ATOM 364 CB PHE A 22 6.836 11.612 -1.498 1.00 0.00 C ATOM 365 CG PHE A 22 6.007 10.504 -0.915 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.625 10.531 -1.012 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.609 9.437 -0.269 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.859 9.513 -0.476 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.849 8.417 0.271 1.00 0.00 C ATOM 370 CZ PHE A 22 4.472 8.455 0.166 1.00 0.00 C ATOM 0 H PHE A 22 7.994 14.413 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 22 5.720 13.048 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.523 11.785 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.878 11.295 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.141 11.357 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.685 9.402 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.783 9.545 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.331 7.592 0.774 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.876 7.658 0.585 1.00 0.00 H new ATOM 380 N ASP A 23 7.394 12.006 1.425 1.00 0.00 N ATOM 381 CA ASP A 23 8.215 11.869 2.622 1.00 0.00 C ATOM 382 C ASP A 23 8.268 10.415 3.081 1.00 0.00 C ATOM 383 O ASP A 23 7.520 9.571 2.588 1.00 0.00 O ATOM 384 CB ASP A 23 7.669 12.752 3.744 1.00 0.00 C ATOM 385 CG ASP A 23 8.753 13.211 4.698 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.869 13.518 4.226 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.488 13.265 5.917 1.00 0.00 O ATOM 0 H ASP A 23 6.597 11.371 1.387 1.00 0.00 H new ATOM 0 HA ASP A 23 9.227 12.191 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.178 13.623 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.910 12.201 4.299 1.00 0.00 H new ATOM 392 N LEU A 24 9.155 10.131 4.027 1.00 0.00 N ATOM 393 CA LEU A 24 9.303 8.779 4.553 1.00 0.00 C ATOM 394 C LEU A 24 8.530 8.610 5.857 1.00 0.00 C ATOM 395 O LEU A 24 8.098 7.508 6.195 1.00 0.00 O ATOM 396 CB LEU A 24 10.783 8.458 4.780 1.00 0.00 C ATOM 397 CG LEU A 24 11.578 8.141 3.513 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.782 9.399 2.683 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.915 7.509 3.867 1.00 0.00 C ATOM 0 H LEU A 24 9.782 10.818 4.445 1.00 0.00 H new ATOM 0 HA LEU A 24 8.894 8.085 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.250 9.306 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.855 7.608 5.458 1.00 0.00 H new ATOM 0 HG LEU A 24 11.009 7.427 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.350 9.154 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.813 9.809 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.330 10.137 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.467 7.290 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.492 8.199 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.746 6.584 4.419 1.00 0.00 H new ATOM 411 N LYS A 25 8.358 9.708 6.587 1.00 0.00 N ATOM 412 CA LYS A 25 7.636 9.678 7.855 1.00 0.00 C ATOM 413 C LYS A 25 6.162 9.349 7.636 1.00 0.00 C ATOM 414 O LYS A 25 5.536 8.687 8.462 1.00 0.00 O ATOM 415 CB LYS A 25 7.775 11.021 8.575 1.00 0.00 C ATOM 416 CG LYS A 25 8.416 10.908 9.950 1.00 0.00 C ATOM 417 CD LYS A 25 7.993 12.052 10.857 1.00 0.00 C ATOM 418 CE LYS A 25 8.357 11.777 12.307 1.00 0.00 C ATOM 419 NZ LYS A 25 9.821 11.911 12.546 1.00 0.00 N ATOM 0 H LYS A 25 8.708 10.629 6.323 1.00 0.00 H new ATOM 0 HA LYS A 25 8.072 8.895 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.371 11.695 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.788 11.473 8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.137 9.958 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.501 10.905 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.473 12.974 10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.917 12.205 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.818 12.469 12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.035 10.771 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.029 11.716 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.334 11.233 11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.124 12.878 12.312 1.00 0.00 H new ATOM 433 N LEU A 26 5.615 9.815 6.518 1.00 0.00 N ATOM 434 CA LEU A 26 4.213 9.569 6.195 1.00 0.00 C ATOM 435 C LEU A 26 3.958 8.081 5.977 1.00 0.00 C ATOM 436 O LEU A 26 2.889 7.569 6.308 1.00 0.00 O ATOM 437 CB LEU A 26 3.807 10.360 4.948 1.00 0.00 C ATOM 438 CG LEU A 26 4.432 9.875 3.637 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.613 8.741 3.038 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.553 11.029 2.651 1.00 0.00 C ATOM 0 H LEU A 26 6.119 10.364 5.822 1.00 0.00 H new ATOM 0 HA LEU A 26 3.608 9.902 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.722 10.322 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.078 11.405 5.096 1.00 0.00 H new ATOM 0 HG LEU A 26 5.431 9.495 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.074 8.411 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.577 7.908 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.600 9.090 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.999 10.670 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.563 11.436 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.184 11.808 3.079 1.00 0.00 H new ATOM 452 N LEU A 27 4.948 7.391 5.418 1.00 0.00 N ATOM 453 CA LEU A 27 4.832 5.961 5.156 1.00 0.00 C ATOM 454 C LEU A 27 4.974 5.159 6.445 1.00 0.00 C ATOM 455 O LEU A 27 4.249 4.191 6.670 1.00 0.00 O ATOM 456 CB LEU A 27 5.892 5.520 4.146 1.00 0.00 C ATOM 457 CG LEU A 27 5.397 4.567 3.059 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.779 5.346 1.909 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.537 3.692 2.563 1.00 0.00 C ATOM 0 H LEU A 27 5.840 7.800 5.138 1.00 0.00 H new ATOM 0 HA LEU A 27 3.843 5.771 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.307 6.407 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.707 5.038 4.686 1.00 0.00 H new ATOM 0 HG LEU A 27 4.629 3.922 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.432 4.651 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.936 5.931 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.525 6.015 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.169 3.019 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.326 4.321 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.935 3.108 3.393 1.00 0.00 H new ATOM 471 N TYR A 28 5.913 5.569 7.289 1.00 0.00 N ATOM 472 CA TYR A 28 6.149 4.891 8.557 1.00 0.00 C ATOM 473 C TYR A 28 5.021 5.176 9.546 1.00 0.00 C ATOM 474 O TYR A 28 4.789 4.404 10.476 1.00 0.00 O ATOM 475 CB TYR A 28 7.490 5.330 9.151 1.00 0.00 C ATOM 476 CG TYR A 28 8.627 4.378 8.849 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.541 3.033 9.185 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.787 4.826 8.229 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.578 2.161 8.912 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.828 3.961 7.952 1.00 0.00 C ATOM 481 CZ TYR A 28 10.719 2.629 8.296 1.00 0.00 C ATOM 482 OH TYR A 28 11.753 1.766 8.022 1.00 0.00 O ATOM 0 H TYR A 28 6.523 6.368 7.118 1.00 0.00 H new ATOM 0 HA TYR A 28 6.177 3.818 8.368 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.742 6.318 8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.385 5.426 10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.649 2.662 9.668 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.876 5.868 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.495 1.118 9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.722 4.325 7.469 1.00 0.00 H new ATOM 0 HH TYR A 28 12.481 2.256 7.585 1.00 0.00 H new ATOM 492 N LYS A 29 4.325 6.291 9.342 1.00 0.00 N ATOM 493 CA LYS A 29 3.224 6.677 10.217 1.00 0.00 C ATOM 494 C LYS A 29 1.897 6.107 9.724 1.00 0.00 C ATOM 495 O LYS A 29 1.008 5.808 10.520 1.00 0.00 O ATOM 496 CB LYS A 29 3.133 8.201 10.309 1.00 0.00 C ATOM 497 CG LYS A 29 3.995 8.796 11.410 1.00 0.00 C ATOM 498 CD LYS A 29 3.149 9.331 12.556 1.00 0.00 C ATOM 499 CE LYS A 29 2.571 10.699 12.228 1.00 0.00 C ATOM 500 NZ LYS A 29 1.214 10.883 12.813 1.00 0.00 N ATOM 0 H LYS A 29 4.505 6.943 8.578 1.00 0.00 H new ATOM 0 HA LYS A 29 3.424 6.266 11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.430 8.633 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.094 8.485 10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.681 8.037 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.605 9.601 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.339 8.634 12.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.757 9.398 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.237 11.475 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.520 10.822 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.855 11.828 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.571 10.159 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.267 10.792 13.848 1.00 0.00 H new ATOM 514 N VAL A 30 1.766 5.964 8.408 1.00 0.00 N ATOM 515 CA VAL A 30 0.541 5.436 7.817 1.00 0.00 C ATOM 516 C VAL A 30 0.489 3.910 7.883 1.00 0.00 C ATOM 517 O VAL A 30 -0.531 3.303 7.556 1.00 0.00 O ATOM 518 CB VAL A 30 0.381 5.886 6.350 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.475 5.288 5.477 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.996 5.510 5.824 1.00 0.00 C ATOM 0 H VAL A 30 2.491 6.206 7.733 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.282 5.840 8.406 1.00 0.00 H new ATOM 0 HB VAL A 30 0.477 6.971 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.341 5.620 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.449 5.615 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.419 4.200 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.091 5.835 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.123 4.429 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.762 5.996 6.429 1.00 0.00 H new ATOM 530 N VAL A 31 1.589 3.289 8.308 1.00 0.00 N ATOM 531 CA VAL A 31 1.653 1.834 8.413 1.00 0.00 C ATOM 532 C VAL A 31 0.503 1.292 9.260 1.00 0.00 C ATOM 533 O VAL A 31 -0.106 0.279 8.920 1.00 0.00 O ATOM 534 CB VAL A 31 2.990 1.369 9.023 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.079 -0.150 9.032 1.00 0.00 C ATOM 536 CG2 VAL A 31 4.161 1.972 8.262 1.00 0.00 C ATOM 0 H VAL A 31 2.445 3.770 8.584 1.00 0.00 H new ATOM 0 HA VAL A 31 1.571 1.442 7.399 1.00 0.00 H new ATOM 0 HB VAL A 31 3.035 1.717 10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.031 -0.456 9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.261 -0.559 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.009 -0.525 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.097 1.633 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.119 1.656 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.108 3.059 8.314 1.00 0.00 H new ATOM 546 N GLY A 32 0.213 1.976 10.362 1.00 0.00 N ATOM 547 CA GLY A 32 -0.862 1.549 11.237 1.00 0.00 C ATOM 548 C GLY A 32 -2.222 1.653 10.574 1.00 0.00 C ATOM 549 O GLY A 32 -3.147 0.920 10.923 1.00 0.00 O ATOM 0 H GLY A 32 0.703 2.818 10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.689 0.518 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.854 2.157 12.141 1.00 0.00 H new ATOM 553 N ASN A 33 -2.343 2.567 9.617 1.00 0.00 N ATOM 554 CA ASN A 33 -3.598 2.767 8.904 1.00 0.00 C ATOM 555 C ASN A 33 -3.705 1.830 7.703 1.00 0.00 C ATOM 556 O ASN A 33 -4.800 1.588 7.192 1.00 0.00 O ATOM 557 CB ASN A 33 -3.719 4.220 8.441 1.00 0.00 C ATOM 558 CG ASN A 33 -3.696 5.199 9.599 1.00 0.00 C ATOM 559 OD1 ASN A 33 -2.933 6.167 9.591 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.531 4.952 10.601 1.00 0.00 N ATOM 0 H ASN A 33 -1.586 3.181 9.317 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.413 2.539 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.901 4.450 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.646 4.344 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.559 5.576 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.145 4.138 10.565 1.00 0.00 H new ATOM 567 N LEU A 34 -2.568 1.306 7.254 1.00 0.00 N ATOM 568 CA LEU A 34 -2.544 0.396 6.114 1.00 0.00 C ATOM 569 C LEU A 34 -2.989 -1.003 6.523 1.00 0.00 C ATOM 570 O LEU A 34 -3.680 -1.691 5.773 1.00 0.00 O ATOM 571 CB LEU A 34 -1.139 0.341 5.509 1.00 0.00 C ATOM 572 CG LEU A 34 -0.682 1.624 4.812 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.773 1.509 4.387 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.568 1.921 3.612 1.00 0.00 C ATOM 0 H LEU A 34 -1.653 1.496 7.662 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.241 0.773 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.428 0.103 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.101 -0.478 4.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.769 2.451 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.082 2.430 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.396 1.342 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.886 0.672 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.229 2.837 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.511 1.094 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.599 2.045 3.943 1.00 0.00 H new ATOM 586 N ALA A 35 -2.581 -1.423 7.717 1.00 0.00 N ATOM 587 CA ALA A 35 -2.935 -2.743 8.227 1.00 0.00 C ATOM 588 C ALA A 35 -4.426 -2.833 8.541 1.00 0.00 C ATOM 589 O ALA A 35 -5.036 -3.892 8.396 1.00 0.00 O ATOM 590 CB ALA A 35 -2.113 -3.066 9.465 1.00 0.00 C ATOM 0 H ALA A 35 -2.005 -0.868 8.349 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.711 -3.476 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.387 -4.054 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.053 -3.055 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.309 -2.322 10.237 1.00 0.00 H new ATOM 596 N THR A 36 -5.004 -1.718 8.973 1.00 0.00 N ATOM 597 CA THR A 36 -6.423 -1.674 9.308 1.00 0.00 C ATOM 598 C THR A 36 -7.241 -1.111 8.151 1.00 0.00 C ATOM 599 O THR A 36 -8.396 -1.485 7.954 1.00 0.00 O ATOM 600 CB THR A 36 -6.646 -0.829 10.563 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.264 0.516 10.336 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.874 -1.326 11.766 1.00 0.00 C ATOM 0 H THR A 36 -4.513 -0.833 9.100 1.00 0.00 H new ATOM 0 HA THR A 36 -6.755 -2.694 9.500 1.00 0.00 H new ATOM 0 HB THR A 36 -7.712 -0.908 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.311 0.624 10.538 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.078 -0.681 12.621 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.181 -2.346 11.999 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.807 -1.309 11.546 1.00 0.00 H new ATOM 610 N GLU A 37 -6.632 -0.208 7.389 1.00 0.00 N ATOM 611 CA GLU A 37 -7.302 0.409 6.250 1.00 0.00 C ATOM 612 C GLU A 37 -8.544 1.175 6.699 1.00 0.00 C ATOM 613 O GLU A 37 -9.657 0.886 6.260 1.00 0.00 O ATOM 614 CB GLU A 37 -7.686 -0.655 5.219 1.00 0.00 C ATOM 615 CG GLU A 37 -6.555 -1.614 4.883 1.00 0.00 C ATOM 616 CD GLU A 37 -7.056 -2.983 4.471 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.057 -3.050 3.727 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.446 -3.990 4.889 1.00 0.00 O ATOM 0 H GLU A 37 -5.676 0.113 7.540 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.610 1.115 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.534 -1.225 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.016 -0.161 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.954 -1.193 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.901 -1.716 5.749 1.00 0.00 H new ATOM 625 N GLN A 38 -8.342 2.150 7.579 1.00 0.00 N ATOM 626 CA GLN A 38 -9.446 2.957 8.091 1.00 0.00 C ATOM 627 C GLN A 38 -9.924 3.973 7.053 1.00 0.00 C ATOM 628 O GLN A 38 -11.100 3.987 6.690 1.00 0.00 O ATOM 629 CB GLN A 38 -9.044 3.678 9.384 1.00 0.00 C ATOM 630 CG GLN A 38 -7.977 2.954 10.191 1.00 0.00 C ATOM 631 CD GLN A 38 -8.228 3.025 11.685 1.00 0.00 C ATOM 632 OE1 GLN A 38 -7.744 3.930 12.365 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.988 2.067 12.203 1.00 0.00 N ATOM 0 H GLN A 38 -7.427 2.401 7.952 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.270 2.278 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.682 4.675 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.930 3.807 10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.939 1.909 9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.002 3.388 9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.368 1.336 11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.192 2.062 13.202 1.00 0.00 H new ATOM 642 N PRO A 39 -9.023 4.847 6.558 1.00 0.00 N ATOM 643 CA PRO A 39 -9.388 5.863 5.564 1.00 0.00 C ATOM 644 C PRO A 39 -9.882 5.248 4.254 1.00 0.00 C ATOM 645 O PRO A 39 -11.087 5.118 4.042 1.00 0.00 O ATOM 646 CB PRO A 39 -8.088 6.651 5.347 1.00 0.00 C ATOM 647 CG PRO A 39 -7.001 5.750 5.823 1.00 0.00 C ATOM 648 CD PRO A 39 -7.598 4.922 6.925 1.00 0.00 C ATOM 0 HA PRO A 39 -10.215 6.485 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.954 6.908 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.097 7.587 5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.637 5.117 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.149 6.325 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.143 3.933 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.458 5.389 7.900 1.00 0.00 H new ATOM 656 N LEU A 40 -8.949 4.865 3.382 1.00 0.00 N ATOM 657 CA LEU A 40 -9.295 4.261 2.097 1.00 0.00 C ATOM 658 C LEU A 40 -10.398 5.044 1.388 1.00 0.00 C ATOM 659 O LEU A 40 -11.582 4.865 1.672 1.00 0.00 O ATOM 660 CB LEU A 40 -9.730 2.810 2.298 1.00 0.00 C ATOM 661 CG LEU A 40 -8.589 1.825 2.559 1.00 0.00 C ATOM 662 CD1 LEU A 40 -7.778 1.602 1.292 1.00 0.00 C ATOM 663 CD2 LEU A 40 -7.697 2.325 3.685 1.00 0.00 C ATOM 0 H LEU A 40 -7.947 4.963 3.543 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.406 4.288 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.426 2.767 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.276 2.484 1.413 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.021 0.871 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.971 0.899 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.424 1.197 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.357 2.550 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.892 1.611 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.273 3.291 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.286 2.432 4.596 1.00 0.00 H new ATOM 675 N ALA A 41 -10.000 5.915 0.464 1.00 0.00 N ATOM 676 CA ALA A 41 -10.955 6.726 -0.288 1.00 0.00 C ATOM 677 C ALA A 41 -12.092 5.873 -0.845 1.00 0.00 C ATOM 678 O ALA A 41 -11.894 4.709 -1.194 1.00 0.00 O ATOM 679 CB ALA A 41 -10.245 7.462 -1.414 1.00 0.00 C ATOM 0 H ALA A 41 -9.024 6.078 0.218 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.390 7.455 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.966 8.063 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.476 8.112 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.783 6.739 -2.087 1.00 0.00 H new ATOM 685 N PRO A 42 -13.308 6.444 -0.935 1.00 0.00 N ATOM 686 CA PRO A 42 -14.479 5.729 -1.450 1.00 0.00 C ATOM 687 C PRO A 42 -14.413 5.513 -2.959 1.00 0.00 C ATOM 688 O PRO A 42 -15.017 4.580 -3.489 1.00 0.00 O ATOM 689 CB PRO A 42 -15.642 6.659 -1.097 1.00 0.00 C ATOM 690 CG PRO A 42 -15.035 8.017 -1.049 1.00 0.00 C ATOM 691 CD PRO A 42 -13.633 7.827 -0.540 1.00 0.00 C ATOM 0 HA PRO A 42 -14.565 4.730 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.434 6.605 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.088 6.390 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.032 8.478 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.603 8.675 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.944 8.544 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.577 7.960 0.540 1.00 0.00 H new ATOM 699 N LYS A 43 -13.676 6.380 -3.645 1.00 0.00 N ATOM 700 CA LYS A 43 -13.533 6.285 -5.094 1.00 0.00 C ATOM 701 C LYS A 43 -12.630 5.119 -5.483 1.00 0.00 C ATOM 702 O LYS A 43 -12.769 4.552 -6.567 1.00 0.00 O ATOM 703 CB LYS A 43 -12.970 7.590 -5.658 1.00 0.00 C ATOM 704 CG LYS A 43 -11.668 8.022 -5.000 1.00 0.00 C ATOM 705 CD LYS A 43 -11.823 9.348 -4.270 1.00 0.00 C ATOM 706 CE LYS A 43 -12.028 10.501 -5.240 1.00 0.00 C ATOM 707 NZ LYS A 43 -13.431 10.999 -5.223 1.00 0.00 N ATOM 0 H LYS A 43 -13.168 7.157 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.522 6.108 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.805 7.473 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.711 8.380 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.343 7.255 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.889 8.112 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.671 9.291 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.937 9.536 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.351 11.316 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.770 10.177 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.442 12.013 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.993 10.478 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.839 10.854 -4.278 1.00 0.00 H new ATOM 721 N TYR A 44 -11.703 4.768 -4.598 1.00 0.00 N ATOM 722 CA TYR A 44 -10.777 3.672 -4.858 1.00 0.00 C ATOM 723 C TYR A 44 -11.039 2.496 -3.922 1.00 0.00 C ATOM 724 O TYR A 44 -11.458 1.424 -4.358 1.00 0.00 O ATOM 725 CB TYR A 44 -9.333 4.152 -4.702 1.00 0.00 C ATOM 726 CG TYR A 44 -8.995 5.343 -5.569 1.00 0.00 C ATOM 727 CD1 TYR A 44 -8.954 5.229 -6.954 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.717 6.582 -5.005 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.645 6.316 -7.750 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.409 7.673 -5.794 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.374 7.535 -7.166 1.00 0.00 C ATOM 732 OH TYR A 44 -8.067 8.618 -7.956 1.00 0.00 O ATOM 0 H TYR A 44 -11.573 5.226 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.934 3.334 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.156 4.411 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.658 3.332 -4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.167 4.276 -7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.742 6.694 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.616 6.211 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.197 8.629 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.506 9.243 -7.451 1.00 0.00 H new ATOM 742 N LYS A 45 -10.788 2.703 -2.633 1.00 0.00 N ATOM 743 CA LYS A 45 -10.995 1.658 -1.635 1.00 0.00 C ATOM 744 C LYS A 45 -10.076 0.467 -1.896 1.00 0.00 C ATOM 745 O LYS A 45 -9.720 0.184 -3.039 1.00 0.00 O ATOM 746 CB LYS A 45 -12.457 1.203 -1.638 1.00 0.00 C ATOM 747 CG LYS A 45 -13.114 1.271 -0.269 1.00 0.00 C ATOM 748 CD LYS A 45 -14.553 1.753 -0.362 1.00 0.00 C ATOM 749 CE LYS A 45 -15.302 1.525 0.940 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.703 2.026 0.870 1.00 0.00 N ATOM 0 H LYS A 45 -10.441 3.584 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.754 2.071 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.021 1.823 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.510 0.179 -2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.089 0.286 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.546 1.942 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.567 2.814 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.061 1.230 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.308 0.460 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.777 2.026 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.180 1.852 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.697 3.047 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.212 1.530 0.111 1.00 0.00 H new ATOM 764 N ASP A 46 -9.696 -0.227 -0.828 1.00 0.00 N ATOM 765 CA ASP A 46 -8.819 -1.386 -0.941 1.00 0.00 C ATOM 766 C ASP A 46 -9.587 -2.600 -1.459 1.00 0.00 C ATOM 767 O ASP A 46 -10.565 -3.034 -0.849 1.00 0.00 O ATOM 768 CB ASP A 46 -8.186 -1.708 0.414 1.00 0.00 C ATOM 769 CG ASP A 46 -7.206 -2.862 0.335 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.644 -3.995 0.036 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.001 -2.636 0.574 1.00 0.00 O ATOM 0 H ASP A 46 -9.982 -0.006 0.126 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.030 -1.146 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.672 -0.824 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.971 -1.950 1.130 1.00 0.00 H new ATOM 776 N HIS A 47 -9.136 -3.143 -2.585 1.00 0.00 N ATOM 777 CA HIS A 47 -9.779 -4.306 -3.183 1.00 0.00 C ATOM 778 C HIS A 47 -8.762 -5.167 -3.930 1.00 0.00 C ATOM 779 O HIS A 47 -7.655 -4.718 -4.225 1.00 0.00 O ATOM 780 CB HIS A 47 -10.895 -3.864 -4.136 1.00 0.00 C ATOM 781 CG HIS A 47 -12.271 -4.117 -3.605 1.00 0.00 C ATOM 782 ND1 HIS A 47 -13.143 -5.021 -4.174 1.00 0.00 N ATOM 783 CD2 HIS A 47 -12.926 -3.579 -2.549 1.00 0.00 C ATOM 784 CE1 HIS A 47 -14.275 -5.028 -3.491 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.168 -4.162 -2.500 1.00 0.00 N ATOM 0 H HIS A 47 -8.328 -2.796 -3.101 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.212 -4.904 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.784 -2.800 -4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.779 -4.387 -5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.543 -2.831 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.140 -5.638 -3.707 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.891 -3.959 -1.810 1.00 0.00 H new ATOM 794 N PRO A 48 -9.129 -6.420 -4.246 1.00 0.00 N ATOM 795 CA PRO A 48 -8.244 -7.344 -4.964 1.00 0.00 C ATOM 796 C PRO A 48 -8.007 -6.911 -6.407 1.00 0.00 C ATOM 797 O PRO A 48 -8.759 -6.106 -6.955 1.00 0.00 O ATOM 798 CB PRO A 48 -9.003 -8.673 -4.921 1.00 0.00 C ATOM 799 CG PRO A 48 -10.434 -8.291 -4.757 1.00 0.00 C ATOM 800 CD PRO A 48 -10.433 -7.033 -3.933 1.00 0.00 C ATOM 0 HA PRO A 48 -7.253 -7.392 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.849 -9.246 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.663 -9.296 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.907 -8.124 -5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.995 -9.083 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.260 -6.376 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.530 -7.249 -2.869 1.00 0.00 H new ATOM 808 N LEU A 49 -6.955 -7.450 -7.015 1.00 0.00 N ATOM 809 CA LEU A 49 -6.620 -7.117 -8.395 1.00 0.00 C ATOM 810 C LEU A 49 -7.190 -8.150 -9.361 1.00 0.00 C ATOM 811 O LEU A 49 -8.133 -7.867 -10.102 1.00 0.00 O ATOM 812 CB LEU A 49 -5.102 -7.030 -8.565 1.00 0.00 C ATOM 813 CG LEU A 49 -4.422 -5.926 -7.755 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.391 -6.289 -6.279 1.00 0.00 C ATOM 815 CD2 LEU A 49 -3.014 -5.676 -8.274 1.00 0.00 C ATOM 0 H LEU A 49 -6.321 -8.117 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.064 -6.148 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.665 -7.988 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.878 -6.875 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.999 -5.009 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.903 -5.492 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.410 -6.418 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.837 -7.218 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.544 -4.887 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.427 -6.591 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.060 -5.371 -9.319 1.00 0.00 H new ATOM 827 N LYS A 50 -6.614 -9.347 -9.349 1.00 0.00 N ATOM 828 CA LYS A 50 -7.064 -10.422 -10.225 1.00 0.00 C ATOM 829 C LYS A 50 -8.105 -11.293 -9.534 1.00 0.00 C ATOM 830 O LYS A 50 -8.354 -11.150 -8.337 1.00 0.00 O ATOM 831 CB LYS A 50 -5.876 -11.277 -10.664 1.00 0.00 C ATOM 832 CG LYS A 50 -5.140 -10.723 -11.874 1.00 0.00 C ATOM 833 CD LYS A 50 -5.845 -11.088 -13.172 1.00 0.00 C ATOM 834 CE LYS A 50 -4.852 -11.458 -14.261 1.00 0.00 C ATOM 835 NZ LYS A 50 -5.272 -10.944 -15.593 1.00 0.00 N ATOM 0 H LYS A 50 -5.834 -9.597 -8.742 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.525 -9.971 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.176 -11.365 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.228 -12.283 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.067 -9.639 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.122 -11.111 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.522 -11.924 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.455 -10.248 -13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.871 -11.056 -14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.750 -12.542 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.568 -11.217 -16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.197 -11.348 -15.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.345 -9.907 -15.558 1.00 0.00 H new ATOM 849 N GLY A 51 -8.709 -12.200 -10.295 1.00 0.00 N ATOM 850 CA GLY A 51 -9.717 -13.084 -9.739 1.00 0.00 C ATOM 851 C GLY A 51 -9.182 -14.476 -9.473 1.00 0.00 C ATOM 852 O GLY A 51 -8.795 -15.188 -10.399 1.00 0.00 O ATOM 0 H GLY A 51 -8.518 -12.339 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.095 -12.659 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.560 -13.147 -10.427 1.00 0.00 H new ATOM 856 N GLY A 52 -9.159 -14.867 -8.202 1.00 0.00 N ATOM 857 CA GLY A 52 -8.663 -16.181 -7.837 1.00 0.00 C ATOM 858 C GLY A 52 -7.330 -16.118 -7.119 1.00 0.00 C ATOM 859 O GLY A 52 -6.545 -17.066 -7.170 1.00 0.00 O ATOM 0 H GLY A 52 -9.475 -14.296 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.393 -16.677 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.560 -16.790 -8.735 1.00 0.00 H new ATOM 863 N LEU A 53 -7.073 -15.000 -6.448 1.00 0.00 N ATOM 864 CA LEU A 53 -5.826 -14.816 -5.717 1.00 0.00 C ATOM 865 C LEU A 53 -5.940 -13.655 -4.734 1.00 0.00 C ATOM 866 O LEU A 53 -5.972 -12.492 -5.135 1.00 0.00 O ATOM 867 CB LEU A 53 -4.671 -14.565 -6.689 1.00 0.00 C ATOM 868 CG LEU A 53 -4.917 -13.449 -7.710 1.00 0.00 C ATOM 869 CD1 LEU A 53 -4.016 -12.256 -7.428 1.00 0.00 C ATOM 870 CD2 LEU A 53 -4.697 -13.961 -9.126 1.00 0.00 C ATOM 0 H LEU A 53 -7.713 -14.207 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.625 -15.728 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.778 -14.321 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.461 -15.489 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.954 -13.125 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.206 -11.475 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.223 -11.872 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.973 -12.566 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.876 -13.154 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.671 -14.315 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.386 -14.782 -9.327 1.00 0.00 H new ATOM 882 N LYS A 54 -6.000 -13.978 -3.446 1.00 0.00 N ATOM 883 CA LYS A 54 -6.112 -12.962 -2.408 1.00 0.00 C ATOM 884 C LYS A 54 -4.751 -12.661 -1.790 1.00 0.00 C ATOM 885 O LYS A 54 -4.651 -12.340 -0.606 1.00 0.00 O ATOM 886 CB LYS A 54 -7.088 -13.419 -1.322 1.00 0.00 C ATOM 887 CG LYS A 54 -6.641 -14.675 -0.592 1.00 0.00 C ATOM 888 CD LYS A 54 -7.364 -15.908 -1.111 1.00 0.00 C ATOM 889 CE LYS A 54 -6.616 -17.183 -0.754 1.00 0.00 C ATOM 890 NZ LYS A 54 -5.830 -17.706 -1.906 1.00 0.00 N ATOM 0 H LYS A 54 -5.973 -14.936 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.491 -12.049 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.216 -12.614 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.063 -13.599 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.566 -14.804 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.830 -14.563 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.369 -15.945 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.472 -15.839 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.947 -16.989 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.327 -17.941 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.335 -18.575 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.471 -17.915 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.134 -16.993 -2.204 1.00 0.00 H new ATOM 904 N ASP A 55 -3.703 -12.767 -2.601 1.00 0.00 N ATOM 905 CA ASP A 55 -2.347 -12.505 -2.134 1.00 0.00 C ATOM 906 C ASP A 55 -1.941 -11.065 -2.427 1.00 0.00 C ATOM 907 O ASP A 55 -1.176 -10.460 -1.675 1.00 0.00 O ATOM 908 CB ASP A 55 -1.362 -13.470 -2.797 1.00 0.00 C ATOM 909 CG ASP A 55 -1.527 -14.894 -2.302 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.008 -15.074 -1.164 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.172 -15.827 -3.052 1.00 0.00 O ATOM 0 H ASP A 55 -3.767 -13.032 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.324 -12.658 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.504 -13.445 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.343 -13.136 -2.602 1.00 0.00 H new ATOM 916 N PHE A 56 -2.460 -10.519 -3.522 1.00 0.00 N ATOM 917 CA PHE A 56 -2.153 -9.150 -3.912 1.00 0.00 C ATOM 918 C PHE A 56 -3.359 -8.240 -3.698 1.00 0.00 C ATOM 919 O PHE A 56 -4.503 -8.657 -3.871 1.00 0.00 O ATOM 920 CB PHE A 56 -1.717 -9.099 -5.378 1.00 0.00 C ATOM 921 CG PHE A 56 -0.276 -9.467 -5.590 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.176 -10.743 -5.294 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.626 -8.539 -6.083 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.501 -11.086 -5.487 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.951 -8.875 -6.279 1.00 0.00 C ATOM 926 CZ PHE A 56 2.389 -10.151 -5.981 1.00 0.00 C ATOM 0 H PHE A 56 -3.096 -11.005 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.335 -8.796 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.345 -9.774 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.887 -8.094 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.515 -11.478 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.289 -7.540 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.841 -12.084 -5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.644 -8.142 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.425 -10.417 -6.134 1.00 0.00 H new ATOM 936 N ARG A 57 -3.092 -6.995 -3.318 1.00 0.00 N ATOM 937 CA ARG A 57 -4.153 -6.022 -3.079 1.00 0.00 C ATOM 938 C ARG A 57 -3.611 -4.599 -3.167 1.00 0.00 C ATOM 939 O ARG A 57 -2.617 -4.263 -2.524 1.00 0.00 O ATOM 940 CB ARG A 57 -4.791 -6.261 -1.710 1.00 0.00 C ATOM 941 CG ARG A 57 -6.277 -6.571 -1.777 1.00 0.00 C ATOM 942 CD ARG A 57 -6.789 -7.132 -0.460 1.00 0.00 C ATOM 943 NE ARG A 57 -6.542 -8.567 -0.343 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.697 -9.256 0.785 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.097 -8.648 1.894 1.00 0.00 N ATOM 946 NH2 ARG A 57 -6.450 -10.559 0.804 1.00 0.00 N ATOM 0 H ARG A 57 -2.149 -6.635 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.914 -6.148 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.278 -7.088 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.640 -5.378 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.828 -5.664 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.465 -7.288 -2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.306 -6.612 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.859 -6.940 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.233 -9.070 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.288 -7.646 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.214 -9.182 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.142 -11.032 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.568 -11.088 1.668 1.00 0.00 H new ATOM 960 N GLU A 58 -4.269 -3.770 -3.969 1.00 0.00 N ATOM 961 CA GLU A 58 -3.850 -2.385 -4.144 1.00 0.00 C ATOM 962 C GLU A 58 -4.790 -1.433 -3.412 1.00 0.00 C ATOM 963 O GLU A 58 -6.011 -1.579 -3.471 1.00 0.00 O ATOM 964 CB GLU A 58 -3.803 -2.029 -5.631 1.00 0.00 C ATOM 965 CG GLU A 58 -3.359 -0.601 -5.900 1.00 0.00 C ATOM 966 CD GLU A 58 -4.512 0.309 -6.278 1.00 0.00 C ATOM 967 OE1 GLU A 58 -4.886 0.327 -7.470 1.00 0.00 O ATOM 968 OE2 GLU A 58 -5.040 1.001 -5.383 1.00 0.00 O ATOM 0 H GLU A 58 -5.094 -4.033 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.852 -2.278 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.124 -2.714 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.792 -2.181 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.865 -0.205 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.622 -0.599 -6.703 1.00 0.00 H new ATOM 975 N CYS A 59 -4.210 -0.453 -2.725 1.00 0.00 N ATOM 976 CA CYS A 59 -4.992 0.529 -1.984 1.00 0.00 C ATOM 977 C CYS A 59 -4.555 1.946 -2.341 1.00 0.00 C ATOM 978 O CYS A 59 -3.393 2.183 -2.671 1.00 0.00 O ATOM 979 CB CYS A 59 -4.849 0.299 -0.478 1.00 0.00 C ATOM 980 SG CYS A 59 -3.172 0.551 0.150 1.00 0.00 S ATOM 0 H CYS A 59 -3.201 -0.319 -2.667 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.040 0.409 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.527 0.971 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.164 -0.718 -0.245 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.152 0.335 1.432 1.00 0.00 H new ATOM 986 N HIS A 60 -5.492 2.884 -2.275 1.00 0.00 N ATOM 987 CA HIS A 60 -5.201 4.277 -2.594 1.00 0.00 C ATOM 988 C HIS A 60 -5.167 5.134 -1.334 1.00 0.00 C ATOM 989 O HIS A 60 -6.168 5.741 -0.957 1.00 0.00 O ATOM 990 CB HIS A 60 -6.243 4.826 -3.569 1.00 0.00 C ATOM 991 CG HIS A 60 -5.956 4.499 -5.002 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.290 3.420 -5.747 1.00 0.00 N flip ATOM 993 CD2 HIS A 60 -5.240 5.331 -5.835 1.00 0.00 C flip ATOM 994 CE1 HIS A 60 -5.776 3.619 -7.006 1.00 0.00 C flip ATOM 995 NE2 HIS A 60 -5.147 4.780 -7.033 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.459 2.706 -2.004 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.217 4.316 -3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.222 4.427 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.298 5.909 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.820 6.285 -5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.871 2.937 -7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.671 5.183 -7.840 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.006 5.181 -0.687 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.843 5.969 0.530 1.00 0.00 C ATOM 1006 C LEU A 61 -4.145 7.440 0.264 1.00 0.00 C ATOM 1007 O LEU A 61 -4.785 8.110 1.076 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.422 5.816 1.077 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.310 6.237 0.116 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.922 7.689 0.352 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.098 5.329 0.271 1.00 0.00 C ATOM 0 H LEU A 61 -3.166 4.684 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.549 5.599 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.335 6.405 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.266 4.774 1.355 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.683 6.142 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.129 7.971 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.790 8.328 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.568 7.809 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.683 5.644 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.275 5.392 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.384 4.300 0.052 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.682 7.935 -0.879 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.907 9.326 -1.256 1.00 0.00 C ATOM 1025 C LYS A 62 -4.847 9.416 -2.457 1.00 0.00 C ATOM 1026 O LYS A 62 -5.131 8.413 -3.108 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.575 10.013 -1.575 1.00 0.00 C ATOM 1028 CG LYS A 62 -2.068 10.905 -0.453 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.719 12.296 -0.957 1.00 0.00 C ATOM 1030 CE LYS A 62 -0.468 12.836 -0.284 1.00 0.00 C ATOM 1031 NZ LYS A 62 -0.595 12.846 1.199 1.00 0.00 N ATOM 0 H LYS A 62 -3.149 7.394 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.374 9.837 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.825 9.252 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.691 10.611 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.828 10.979 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.188 10.452 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.568 12.266 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.554 12.972 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.390 12.228 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.273 13.848 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.210 13.359 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.482 13.318 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.602 11.868 1.553 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.348 10.627 -2.760 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.266 10.841 -3.886 1.00 0.00 C ATOM 1047 C PRO A 63 -5.583 10.705 -5.245 1.00 0.00 C ATOM 1048 O PRO A 63 -6.245 10.723 -6.282 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.754 12.275 -3.676 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.660 12.939 -2.914 1.00 0.00 C ATOM 1051 CD PRO A 63 -5.066 11.876 -2.030 1.00 0.00 C ATOM 0 HA PRO A 63 -7.063 10.097 -3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.934 12.775 -4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.692 12.297 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.909 13.350 -3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.045 13.769 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.996 12.025 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.523 11.875 -1.040 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.259 10.574 -5.241 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.506 10.440 -6.483 1.00 0.00 C ATOM 1061 C ASP A 64 -2.264 9.574 -6.284 1.00 0.00 C ATOM 1062 O ASP A 64 -1.188 9.891 -6.790 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.102 11.820 -7.007 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.222 11.924 -8.515 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.297 11.581 -9.050 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -2.240 12.347 -9.160 1.00 0.00 O ATOM 0 H ASP A 64 -3.688 10.558 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.149 9.951 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.730 12.580 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.074 12.031 -6.712 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.420 8.479 -5.547 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.308 7.570 -5.288 1.00 0.00 C ATOM 1073 C LEU A 65 -1.809 6.159 -5.003 1.00 0.00 C ATOM 1074 O LEU A 65 -2.763 5.967 -4.249 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.473 8.071 -4.108 1.00 0.00 C ATOM 1076 CG LEU A 65 0.248 9.401 -4.336 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.851 9.908 -3.036 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.324 9.246 -5.402 1.00 0.00 C ATOM 0 H LEU A 65 -3.303 8.200 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.684 7.542 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.125 8.174 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.269 7.312 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.479 10.134 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.360 10.855 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.060 10.055 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.566 9.178 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.827 10.201 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.050 8.500 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.866 8.926 -6.338 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.155 5.170 -5.606 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.530 3.775 -5.412 1.00 0.00 C ATOM 1092 C LEU A 66 -0.567 3.094 -4.446 1.00 0.00 C ATOM 1093 O LEU A 66 0.456 3.666 -4.071 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.545 3.017 -6.748 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.611 3.890 -8.007 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.245 3.975 -8.671 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.645 3.345 -8.981 1.00 0.00 C ATOM 0 H LEU A 66 -0.363 5.310 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.535 3.756 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.649 2.398 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.400 2.341 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.912 4.895 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.312 4.599 -9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.471 4.412 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.086 2.975 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.678 3.977 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.374 2.329 -9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.625 3.337 -8.504 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.894 1.868 -4.050 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.047 1.118 -3.132 1.00 0.00 C ATOM 1111 C LEU A 67 -0.427 -0.357 -3.106 1.00 0.00 C ATOM 1112 O LEU A 67 -1.381 -0.753 -2.437 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.136 1.701 -1.721 1.00 0.00 C ATOM 1114 CG LEU A 67 0.992 1.281 -0.774 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.984 2.138 0.481 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.871 -0.192 -0.417 1.00 0.00 C ATOM 0 H LEU A 67 -1.736 1.375 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 67 0.979 1.201 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.143 2.789 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.088 1.405 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 67 1.942 1.432 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.793 1.824 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.124 3.184 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.030 2.021 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.681 -0.471 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.086 -0.370 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.931 -0.792 -1.325 1.00 0.00 H new ATOM 1128 N VAL A 68 0.339 -1.169 -3.824 1.00 0.00 N ATOM 1129 CA VAL A 68 0.099 -2.603 -3.870 1.00 0.00 C ATOM 1130 C VAL A 68 0.992 -3.314 -2.862 1.00 0.00 C ATOM 1131 O VAL A 68 2.175 -3.005 -2.751 1.00 0.00 O ATOM 1132 CB VAL A 68 0.365 -3.176 -5.277 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.030 -4.644 -5.339 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.382 -2.370 -6.329 1.00 0.00 C ATOM 0 H VAL A 68 1.133 -0.857 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.949 -2.770 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 68 1.432 -3.103 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.165 -5.031 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.553 -5.209 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.091 -4.745 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.183 -2.788 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.452 -2.411 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.046 -1.333 -6.299 1.00 0.00 H new ATOM 1144 N TYR A 69 0.423 -4.257 -2.117 1.00 0.00 N ATOM 1145 CA TYR A 69 1.188 -4.989 -1.117 1.00 0.00 C ATOM 1146 C TYR A 69 0.709 -6.431 -0.998 1.00 0.00 C ATOM 1147 O TYR A 69 -0.395 -6.769 -1.423 1.00 0.00 O ATOM 1148 CB TYR A 69 1.089 -4.292 0.241 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.328 -4.136 0.749 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.084 -5.243 1.114 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.909 -2.879 0.862 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.378 -5.102 1.578 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.203 -2.730 1.326 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.933 -3.843 1.681 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.221 -3.699 2.143 1.00 0.00 O ATOM 0 H TYR A 69 -0.557 -4.530 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 69 2.229 -5.003 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.666 -4.858 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.548 -3.306 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.653 -6.230 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.341 -2.004 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.952 -5.973 1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.639 -1.746 1.410 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.725 -3.121 1.533 1.00 0.00 H new ATOM 1165 N GLN A 70 1.551 -7.274 -0.409 1.00 0.00 N ATOM 1166 CA GLN A 70 1.223 -8.681 -0.221 1.00 0.00 C ATOM 1167 C GLN A 70 1.504 -9.108 1.216 1.00 0.00 C ATOM 1168 O GLN A 70 2.613 -8.932 1.720 1.00 0.00 O ATOM 1169 CB GLN A 70 2.029 -9.548 -1.190 1.00 0.00 C ATOM 1170 CG GLN A 70 1.710 -11.031 -1.090 1.00 0.00 C ATOM 1171 CD GLN A 70 2.906 -11.907 -1.405 1.00 0.00 C ATOM 1172 OE1 GLN A 70 4.053 -11.469 -1.312 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.644 -13.153 -1.783 1.00 0.00 N ATOM 0 H GLN A 70 2.468 -7.005 -0.053 1.00 0.00 H new ATOM 0 HA GLN A 70 0.161 -8.816 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.839 -9.212 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.092 -9.400 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.355 -11.255 -0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.898 -11.271 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.678 -13.474 -1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.409 -13.789 -2.010 1.00 0.00 H new ATOM 1182 N ILE A 71 0.490 -9.659 1.875 1.00 0.00 N ATOM 1183 CA ILE A 71 0.628 -10.099 3.257 1.00 0.00 C ATOM 1184 C ILE A 71 1.212 -11.505 3.336 1.00 0.00 C ATOM 1185 O ILE A 71 0.919 -12.359 2.501 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.725 -10.079 3.999 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.539 -8.835 3.620 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.505 -10.137 5.501 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.712 -7.572 3.500 1.00 0.00 C ATOM 0 H ILE A 71 -0.435 -9.811 1.474 1.00 0.00 H new ATOM 0 HA ILE A 71 1.309 -9.397 3.738 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.293 -10.959 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.043 -9.018 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.315 -8.679 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.468 -10.122 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.026 -11.054 5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.085 -9.276 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.359 -6.738 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.228 -7.362 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.048 -7.706 2.730 1.00 0.00 H new ATOM 1201 N LYS A 72 2.038 -11.733 4.351 1.00 0.00 N ATOM 1202 CA LYS A 72 2.666 -13.034 4.550 1.00 0.00 C ATOM 1203 C LYS A 72 2.434 -13.533 5.972 1.00 0.00 C ATOM 1204 O LYS A 72 3.247 -13.294 6.866 1.00 0.00 O ATOM 1205 CB LYS A 72 4.167 -12.949 4.265 1.00 0.00 C ATOM 1206 CG LYS A 72 4.865 -11.822 5.013 1.00 0.00 C ATOM 1207 CD LYS A 72 5.636 -10.910 4.069 1.00 0.00 C ATOM 1208 CE LYS A 72 7.139 -11.086 4.223 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.827 -11.170 2.905 1.00 0.00 N ATOM 0 H LYS A 72 2.289 -11.033 5.049 1.00 0.00 H new ATOM 0 HA LYS A 72 2.212 -13.741 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.634 -13.897 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.318 -12.812 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.126 -11.237 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.548 -12.243 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.348 -11.124 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.369 -9.872 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.546 -10.250 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.342 -11.991 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.857 -11.153 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.559 -12.055 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.547 -10.361 2.315 1.00 0.00 H new ATOM 1223 N LYS A 73 1.316 -14.224 6.175 1.00 0.00 N ATOM 1224 CA LYS A 73 0.973 -14.757 7.488 1.00 0.00 C ATOM 1225 C LYS A 73 2.066 -15.685 8.010 1.00 0.00 C ATOM 1226 O LYS A 73 2.178 -15.910 9.216 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.358 -15.509 7.422 1.00 0.00 C ATOM 1228 CG LYS A 73 -0.470 -16.446 6.231 1.00 0.00 C ATOM 1229 CD LYS A 73 -1.091 -17.778 6.624 1.00 0.00 C ATOM 1230 CE LYS A 73 -1.720 -18.473 5.428 1.00 0.00 C ATOM 1231 NZ LYS A 73 -2.254 -19.816 5.782 1.00 0.00 N ATOM 0 H LYS A 73 0.632 -14.428 5.446 1.00 0.00 H new ATOM 0 HA LYS A 73 0.879 -13.917 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.487 -16.084 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.173 -14.786 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.074 -15.977 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.519 -16.616 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.328 -18.422 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.848 -17.616 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.526 -17.855 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.978 -18.575 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.674 -20.256 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.481 -20.415 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.981 -19.717 6.519 1.00 0.00 H new ATOM 1245 N GLN A 74 2.873 -16.225 7.098 1.00 0.00 N ATOM 1246 CA GLN A 74 3.956 -17.129 7.472 1.00 0.00 C ATOM 1247 C GLN A 74 4.831 -16.513 8.560 1.00 0.00 C ATOM 1248 O GLN A 74 5.378 -17.221 9.407 1.00 0.00 O ATOM 1249 CB GLN A 74 4.809 -17.471 6.249 1.00 0.00 C ATOM 1250 CG GLN A 74 5.411 -16.253 5.566 1.00 0.00 C ATOM 1251 CD GLN A 74 5.352 -16.346 4.054 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.438 -15.813 3.424 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.329 -17.023 3.463 1.00 0.00 N ATOM 0 H GLN A 74 2.796 -16.051 6.096 1.00 0.00 H new ATOM 0 HA GLN A 74 3.511 -18.044 7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.613 -18.141 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.196 -18.015 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.881 -15.358 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.449 -16.141 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.067 -17.449 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.342 -17.118 2.447 1.00 0.00 H new ATOM 1262 N GLU A 75 4.958 -15.191 8.531 1.00 0.00 N ATOM 1263 CA GLU A 75 5.764 -14.480 9.517 1.00 0.00 C ATOM 1264 C GLU A 75 5.102 -13.164 9.928 1.00 0.00 C ATOM 1265 O GLU A 75 5.742 -12.300 10.528 1.00 0.00 O ATOM 1266 CB GLU A 75 7.163 -14.206 8.961 1.00 0.00 C ATOM 1267 CG GLU A 75 7.167 -13.789 7.499 1.00 0.00 C ATOM 1268 CD GLU A 75 8.561 -13.764 6.904 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.440 -13.088 7.478 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.773 -14.420 5.862 1.00 0.00 O ATOM 0 H GLU A 75 4.514 -14.590 7.836 1.00 0.00 H new ATOM 0 HA GLU A 75 5.846 -15.113 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.634 -13.422 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.772 -15.102 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.544 -14.477 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.718 -12.800 7.406 1.00 0.00 H new ATOM 1277 N ASN A 76 3.817 -13.017 9.604 1.00 0.00 N ATOM 1278 CA ASN A 76 3.072 -11.807 9.945 1.00 0.00 C ATOM 1279 C ASN A 76 3.859 -10.550 9.570 1.00 0.00 C ATOM 1280 O ASN A 76 4.336 -9.821 10.440 1.00 0.00 O ATOM 1281 CB ASN A 76 2.736 -11.798 11.439 1.00 0.00 C ATOM 1282 CG ASN A 76 1.268 -11.523 11.699 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.424 -11.714 10.824 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.956 -11.070 12.908 1.00 0.00 N ATOM 0 H ASN A 76 3.272 -13.721 9.106 1.00 0.00 H new ATOM 0 HA ASN A 76 2.145 -11.807 9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.006 -12.760 11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.339 -11.041 11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.016 -10.866 13.141 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.688 -10.926 13.603 1.00 0.00 H new ATOM 1291 N THR A 77 3.993 -10.306 8.271 1.00 0.00 N ATOM 1292 CA THR A 77 4.725 -9.141 7.786 1.00 0.00 C ATOM 1293 C THR A 77 3.987 -8.475 6.627 1.00 0.00 C ATOM 1294 O THR A 77 3.341 -9.144 5.822 1.00 0.00 O ATOM 1295 CB THR A 77 6.134 -9.548 7.349 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.874 -10.047 8.449 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.927 -8.412 6.740 1.00 0.00 C ATOM 0 H THR A 77 3.605 -10.898 7.536 1.00 0.00 H new ATOM 0 HA THR A 77 4.799 -8.421 8.601 1.00 0.00 H new ATOM 0 HB THR A 77 5.989 -10.315 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.771 -10.303 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.915 -8.771 6.453 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.407 -8.037 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.031 -7.609 7.469 1.00 0.00 H new ATOM 1305 N LEU A 78 4.093 -7.151 6.551 1.00 0.00 N ATOM 1306 CA LEU A 78 3.443 -6.389 5.491 1.00 0.00 C ATOM 1307 C LEU A 78 4.444 -6.013 4.403 1.00 0.00 C ATOM 1308 O LEU A 78 5.111 -4.981 4.489 1.00 0.00 O ATOM 1309 CB LEU A 78 2.795 -5.127 6.065 1.00 0.00 C ATOM 1310 CG LEU A 78 2.054 -4.259 5.046 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.034 -5.088 4.280 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.376 -3.086 5.740 1.00 0.00 C ATOM 0 H LEU A 78 4.624 -6.584 7.212 1.00 0.00 H new ATOM 0 HA LEU A 78 2.669 -7.015 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.095 -5.420 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.569 -4.523 6.539 1.00 0.00 H new ATOM 0 HG LEU A 78 2.780 -3.866 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.517 -4.454 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.543 -5.895 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.310 -5.510 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.853 -2.479 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.661 -3.461 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.127 -2.478 6.244 1.00 0.00 H new ATOM 1324 N PHE A 79 4.547 -6.858 3.384 1.00 0.00 N ATOM 1325 CA PHE A 79 5.469 -6.623 2.278 1.00 0.00 C ATOM 1326 C PHE A 79 4.788 -5.835 1.160 1.00 0.00 C ATOM 1327 O PHE A 79 3.862 -6.327 0.515 1.00 0.00 O ATOM 1328 CB PHE A 79 5.999 -7.962 1.750 1.00 0.00 C ATOM 1329 CG PHE A 79 6.676 -7.877 0.409 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.519 -6.820 0.102 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.467 -8.861 -0.544 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.141 -6.749 -1.130 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.086 -8.793 -1.777 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.923 -7.737 -2.072 1.00 0.00 C ATOM 0 H PHE A 79 4.001 -7.716 3.300 1.00 0.00 H new ATOM 0 HA PHE A 79 6.308 -6.029 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.704 -8.371 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.169 -8.665 1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.691 -6.044 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.813 -9.691 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.797 -5.922 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.915 -9.567 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.407 -7.682 -3.036 1.00 0.00 H new ATOM 1344 N LEU A 80 5.256 -4.611 0.936 1.00 0.00 N ATOM 1345 CA LEU A 80 4.697 -3.753 -0.103 1.00 0.00 C ATOM 1346 C LEU A 80 5.078 -4.259 -1.491 1.00 0.00 C ATOM 1347 O LEU A 80 5.786 -5.257 -1.625 1.00 0.00 O ATOM 1348 CB LEU A 80 5.185 -2.314 0.078 1.00 0.00 C ATOM 1349 CG LEU A 80 5.086 -1.770 1.504 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.216 -0.792 1.783 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.735 -1.104 1.727 1.00 0.00 C ATOM 0 H LEU A 80 6.023 -4.190 1.461 1.00 0.00 H new ATOM 0 HA LEU A 80 3.611 -3.776 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.224 -2.256 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.609 -1.666 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 80 5.177 -2.605 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.128 -0.416 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.174 -1.299 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.157 0.041 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.681 -0.722 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.615 -0.279 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.940 -1.833 1.570 1.00 0.00 H new ATOM 1363 N VAL A 81 4.603 -3.563 -2.519 1.00 0.00 N ATOM 1364 CA VAL A 81 4.892 -3.942 -3.899 1.00 0.00 C ATOM 1365 C VAL A 81 5.179 -2.713 -4.758 1.00 0.00 C ATOM 1366 O VAL A 81 6.318 -2.484 -5.167 1.00 0.00 O ATOM 1367 CB VAL A 81 3.721 -4.735 -4.520 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.039 -5.143 -5.953 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.391 -5.956 -3.671 1.00 0.00 C ATOM 0 H VAL A 81 4.017 -2.734 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 81 5.777 -4.577 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 81 2.845 -4.086 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.199 -5.700 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.216 -4.251 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.931 -5.770 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.564 -6.502 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.265 -6.605 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.108 -5.636 -2.668 1.00 0.00 H new ATOM 1379 N ARG A 82 4.142 -1.928 -5.030 1.00 0.00 N ATOM 1380 CA ARG A 82 4.286 -0.725 -5.843 1.00 0.00 C ATOM 1381 C ARG A 82 3.651 0.479 -5.154 1.00 0.00 C ATOM 1382 O ARG A 82 2.976 0.338 -4.133 1.00 0.00 O ATOM 1383 CB ARG A 82 3.649 -0.935 -7.218 1.00 0.00 C ATOM 1384 CG ARG A 82 4.285 -0.101 -8.317 1.00 0.00 C ATOM 1385 CD ARG A 82 3.992 -0.678 -9.694 1.00 0.00 C ATOM 1386 NE ARG A 82 3.717 0.367 -10.677 1.00 0.00 N ATOM 1387 CZ ARG A 82 3.782 0.183 -11.994 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.111 -1.003 -12.488 1.00 0.00 N ATOM 1389 NH2 ARG A 82 3.518 1.188 -12.817 1.00 0.00 N ATOM 0 H ARG A 82 3.193 -2.103 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 82 5.351 -0.528 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.721 -1.989 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.588 -0.693 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.911 0.921 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.363 -0.054 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.842 -1.274 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.137 -1.351 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 82 3.460 1.293 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.315 -1.779 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.160 -1.139 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.265 2.102 -12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.568 1.047 -13.826 1.00 0.00 H new ATOM 1403 N LEU A 83 3.872 1.663 -5.716 1.00 0.00 N ATOM 1404 CA LEU A 83 3.322 2.892 -5.156 1.00 0.00 C ATOM 1405 C LEU A 83 3.621 4.082 -6.060 1.00 0.00 C ATOM 1406 O LEU A 83 4.609 4.084 -6.795 1.00 0.00 O ATOM 1407 CB LEU A 83 3.897 3.140 -3.760 1.00 0.00 C ATOM 1408 CG LEU A 83 3.369 4.392 -3.055 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.244 4.150 -1.558 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.277 5.580 -3.330 1.00 0.00 C ATOM 0 H LEU A 83 4.429 1.797 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 83 2.241 2.778 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.683 2.272 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.982 3.216 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 83 2.378 4.617 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.867 5.051 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.553 3.326 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.222 3.899 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.887 6.462 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.280 5.364 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.316 5.768 -4.403 1.00 0.00 H new ATOM 1422 N GLY A 84 2.761 5.095 -6.004 1.00 0.00 N ATOM 1423 CA GLY A 84 2.953 6.277 -6.824 1.00 0.00 C ATOM 1424 C GLY A 84 1.736 6.600 -7.669 1.00 0.00 C ATOM 1425 O GLY A 84 0.622 6.194 -7.342 1.00 0.00 O ATOM 0 H GLY A 84 1.935 5.118 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.182 7.128 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.814 6.128 -7.475 1.00 0.00 H new ATOM 1429 N SER A 85 1.951 7.329 -8.758 1.00 0.00 N ATOM 1430 CA SER A 85 0.863 7.706 -9.653 1.00 0.00 C ATOM 1431 C SER A 85 1.101 7.162 -11.057 1.00 0.00 C ATOM 1432 O SER A 85 2.201 7.269 -11.599 1.00 0.00 O ATOM 1433 CB SER A 85 0.717 9.228 -9.701 1.00 0.00 C ATOM 1434 OG SER A 85 -0.600 9.604 -10.063 1.00 0.00 O ATOM 0 H SER A 85 2.869 7.671 -9.043 1.00 0.00 H new ATOM 0 HA SER A 85 -0.059 7.272 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.964 9.651 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.426 9.642 -10.418 1.00 0.00 H new ATOM 0 HG SER A 85 -0.667 10.581 -10.085 1.00 0.00 H new ATOM 1440 N HIS A 86 0.062 6.574 -11.643 1.00 0.00 N ATOM 1441 CA HIS A 86 0.157 6.010 -12.984 1.00 0.00 C ATOM 1442 C HIS A 86 0.538 7.080 -14.000 1.00 0.00 C ATOM 1443 O HIS A 86 1.434 6.880 -14.822 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.170 5.362 -13.382 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.343 6.289 -13.278 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.910 6.908 -14.372 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -3.057 6.699 -12.203 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -3.921 7.660 -13.974 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -4.031 7.551 -12.663 1.00 0.00 N ATOM 0 H HIS A 86 -0.856 6.476 -11.209 1.00 0.00 H new ATOM 0 HA HIS A 86 0.938 5.249 -12.976 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.095 4.998 -14.407 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.346 4.494 -12.747 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.891 6.410 -11.176 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.550 8.262 -14.613 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.727 8.023 -12.085 1.00 0.00 H new ATOM 1458 N SER A 87 -0.147 8.218 -13.943 1.00 0.00 N ATOM 1459 CA SER A 87 0.120 9.319 -14.860 1.00 0.00 C ATOM 1460 C SER A 87 1.523 9.880 -14.647 1.00 0.00 C ATOM 1461 O SER A 87 2.158 10.365 -15.584 1.00 0.00 O ATOM 1462 CB SER A 87 -0.917 10.428 -14.676 1.00 0.00 C ATOM 1463 OG SER A 87 -0.624 11.217 -13.535 1.00 0.00 O ATOM 0 H SER A 87 -0.892 8.401 -13.270 1.00 0.00 H new ATOM 0 HA SER A 87 0.053 8.933 -15.877 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.939 11.061 -15.563 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.909 9.989 -14.573 1.00 0.00 H new ATOM 0 HG SER A 87 -1.301 11.920 -13.441 1.00 0.00 H new ATOM 1469 N GLU A 88 2.000 9.812 -13.407 1.00 0.00 N ATOM 1470 CA GLU A 88 3.328 10.316 -13.072 1.00 0.00 C ATOM 1471 C GLU A 88 4.414 9.382 -13.597 1.00 0.00 C ATOM 1472 O GLU A 88 5.293 9.799 -14.352 1.00 0.00 O ATOM 1473 CB GLU A 88 3.466 10.478 -11.558 1.00 0.00 C ATOM 1474 CG GLU A 88 4.729 11.211 -11.137 1.00 0.00 C ATOM 1475 CD GLU A 88 4.536 12.713 -11.071 1.00 0.00 C ATOM 1476 OE1 GLU A 88 3.376 13.159 -10.957 1.00 0.00 O ATOM 1477 OE2 GLU A 88 5.548 13.444 -11.132 1.00 0.00 O ATOM 0 H GLU A 88 1.488 9.414 -12.620 1.00 0.00 H new ATOM 0 HA GLU A 88 3.451 11.289 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.599 11.018 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.456 9.492 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.048 10.846 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.529 10.982 -11.840 1.00 0.00 H new ATOM 1484 N LEU A 89 4.348 8.117 -13.193 1.00 0.00 N ATOM 1485 CA LEU A 89 5.328 7.125 -13.622 1.00 0.00 C ATOM 1486 C LEU A 89 5.360 7.011 -15.143 1.00 0.00 C ATOM 1487 O LEU A 89 6.400 6.713 -15.732 1.00 0.00 O ATOM 1488 CB LEU A 89 5.006 5.763 -13.004 1.00 0.00 C ATOM 1489 CG LEU A 89 5.628 5.516 -11.629 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.706 6.017 -10.528 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.932 4.039 -11.441 1.00 0.00 C ATOM 0 H LEU A 89 3.627 7.755 -12.569 1.00 0.00 H new ATOM 0 HA LEU A 89 6.311 7.450 -13.281 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.924 5.665 -12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.344 4.982 -13.685 1.00 0.00 H new ATOM 0 HG LEU A 89 6.565 6.070 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.165 5.833 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.538 7.087 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.753 5.491 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.374 3.881 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.009 3.465 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.631 3.711 -12.210 1.00 0.00 H new ATOM 1503 N PHE A 90 4.215 7.250 -15.775 1.00 0.00 N ATOM 1504 CA PHE A 90 4.113 7.174 -17.227 1.00 0.00 C ATOM 1505 C PHE A 90 4.716 8.414 -17.882 1.00 0.00 C ATOM 1506 O PHE A 90 4.601 9.509 -17.291 1.00 0.00 O ATOM 1507 CB PHE A 90 2.650 7.022 -17.649 1.00 0.00 C ATOM 1508 CG PHE A 90 2.222 5.592 -17.817 1.00 0.00 C ATOM 1509 CD1 PHE A 90 2.173 4.736 -16.730 1.00 0.00 C ATOM 1510 CD2 PHE A 90 1.867 5.105 -19.066 1.00 0.00 C ATOM 1511 CE1 PHE A 90 1.778 3.420 -16.883 1.00 0.00 C ATOM 1512 CE2 PHE A 90 1.472 3.791 -19.225 1.00 0.00 C ATOM 1513 CZ PHE A 90 1.426 2.947 -18.131 1.00 0.00 C ATOM 0 H PHE A 90 3.345 7.498 -15.304 1.00 0.00 H new ATOM 0 HA PHE A 90 4.674 6.300 -17.560 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.013 7.499 -16.904 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.494 7.553 -18.588 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.447 5.101 -15.751 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.900 5.760 -19.924 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.745 2.763 -16.027 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.199 3.423 -20.203 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.115 1.920 -18.253 1.00 0.00 H new TER 1523 PHE A 90