USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 27 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAC : A 102 HEC CAC : A 54 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAB : A 102 HEC CAB : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAC : A 103 HEC CAC : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAB : A 103 HEC CAB : A 65 CYS SG :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.28! C(o=-4.7!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= -0.0937 (180deg=-0.743) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 144:sc= 0.777 (180deg=0.155) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEC O2A : rot 165:sc= 0 USER MOD Single : A 101 HEC O2D : rot 180:sc= 0 USER MOD Single : A 102 HEC O2A : rot 72:sc= 0.716 USER MOD Single : A 102 HEC O2D : rot 165:sc= 0.653 USER MOD Single : A 103 HEC O2A : rot -140:sc= -1.4! USER MOD Single : A 103 HEC O2D : rot -130:sc= -0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.999 0.392 -0.174 1.00 1.00 N ATOM 2 CA ALA A 1 3.168 1.161 -0.565 1.00 1.00 C ATOM 3 C ALA A 1 2.728 2.552 -1.027 1.00 1.00 C ATOM 4 O ALA A 1 3.142 3.560 -0.457 1.00 1.00 O ATOM 5 CB ALA A 1 3.939 0.403 -1.648 1.00 1.00 C ATOM 0 H1 ALA A 1 2.295 -0.554 0.141 1.00 1.00 H new ATOM 0 H2 ALA A 1 1.508 0.878 0.604 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.356 0.301 -0.986 1.00 1.00 H new ATOM 0 HA ALA A 1 3.841 1.293 0.282 1.00 1.00 H new ATOM 0 HB1 ALA A 1 4.816 0.980 -1.941 1.00 1.00 H new ATOM 0 HB2 ALA A 1 4.255 -0.565 -1.260 1.00 1.00 H new ATOM 0 HB3 ALA A 1 3.296 0.254 -2.515 1.00 1.00 H new ATOM 11 N ASP A 2 1.894 2.561 -2.056 1.00 1.00 N ATOM 12 CA ASP A 2 1.392 3.811 -2.602 1.00 1.00 C ATOM 13 C ASP A 2 -0.136 3.769 -2.641 1.00 1.00 C ATOM 14 O ASP A 2 -0.775 4.703 -3.126 1.00 1.00 O ATOM 15 CB ASP A 2 1.897 4.031 -4.029 1.00 1.00 C ATOM 16 CG ASP A 2 3.184 4.849 -4.142 1.00 1.00 C ATOM 17 OD1 ASP A 2 4.029 4.838 -3.234 1.00 1.00 O ATOM 18 OD2 ASP A 2 3.305 5.527 -5.233 1.00 1.00 O ATOM 0 H ASP A 2 1.553 1.723 -2.526 1.00 1.00 H new ATOM 0 HA ASP A 2 1.745 4.623 -1.966 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.061 3.059 -4.494 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.116 4.531 -4.602 1.00 1.00 H new ATOM 24 N ASP A 3 -0.680 2.676 -2.126 1.00 1.00 N ATOM 25 CA ASP A 3 -2.122 2.500 -2.096 1.00 1.00 C ATOM 26 C ASP A 3 -2.511 1.727 -0.836 1.00 1.00 C ATOM 27 O ASP A 3 -1.973 0.652 -0.571 1.00 1.00 O ATOM 28 CB ASP A 3 -2.604 1.701 -3.310 1.00 1.00 C ATOM 29 CG ASP A 3 -2.497 2.432 -4.649 1.00 1.00 C ATOM 30 OD1 ASP A 3 -3.445 2.445 -5.448 1.00 1.00 O ATOM 31 OD2 ASP A 3 -1.365 3.013 -4.863 1.00 1.00 O ATOM 0 H ASP A 3 -0.148 1.903 -1.726 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.583 3.488 -2.108 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.028 0.778 -3.370 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.644 1.418 -3.150 1.00 1.00 H new ATOM 37 N ILE A 4 -3.444 2.302 -0.090 1.00 1.00 N ATOM 38 CA ILE A 4 -3.911 1.680 1.137 1.00 1.00 C ATOM 39 C ILE A 4 -5.403 1.365 1.007 1.00 1.00 C ATOM 40 O ILE A 4 -6.231 2.274 0.960 1.00 1.00 O ATOM 41 CB ILE A 4 -3.569 2.553 2.345 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.069 2.853 2.398 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.072 1.917 3.642 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.649 3.300 3.799 1.00 1.00 C ATOM 0 H ILE A 4 -3.889 3.192 -0.312 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.398 0.733 1.304 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.085 3.507 2.233 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.506 1.964 2.112 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.824 3.631 1.675 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.815 2.558 4.485 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.154 1.798 3.593 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.605 0.941 3.774 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.579 3.507 3.809 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.196 4.203 4.072 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.873 2.510 4.515 1.00 1.00 H new ATOM 51 N VAL A 5 -5.700 0.075 0.954 1.00 1.00 N ATOM 52 CA VAL A 5 -7.079 -0.370 0.832 1.00 1.00 C ATOM 53 C VAL A 5 -7.677 -0.552 2.228 1.00 1.00 C ATOM 54 O VAL A 5 -7.099 -1.236 3.072 1.00 1.00 O ATOM 55 CB VAL A 5 -7.144 -1.643 -0.016 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.569 -2.195 -0.066 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.603 -1.390 -1.425 1.00 1.00 C ATOM 0 H VAL A 5 -5.011 -0.676 0.993 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.679 0.380 0.317 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.511 -2.394 0.456 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.588 -3.099 -0.675 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.904 -2.431 0.944 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.233 -1.449 -0.503 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.660 -2.310 -2.007 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.198 -0.616 -1.910 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.565 -1.064 -1.363 1.00 1.00 H new ATOM 63 N LEU A 6 -8.828 0.074 2.429 1.00 1.00 N ATOM 64 CA LEU A 6 -9.512 -0.011 3.708 1.00 1.00 C ATOM 65 C LEU A 6 -10.731 -0.924 3.571 1.00 1.00 C ATOM 66 O LEU A 6 -11.834 -0.455 3.292 1.00 1.00 O ATOM 67 CB LEU A 6 -9.847 1.388 4.229 1.00 1.00 C ATOM 68 CG LEU A 6 -8.711 2.413 4.179 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.261 3.839 4.104 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.755 2.229 5.359 1.00 1.00 C ATOM 0 H LEU A 6 -9.304 0.642 1.728 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.861 -0.459 4.459 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.686 1.777 3.653 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.184 1.298 5.262 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.136 2.242 3.269 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.433 4.547 4.070 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.869 3.948 3.206 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.873 4.039 4.983 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.957 2.969 5.300 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.301 2.358 6.293 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.324 1.228 5.326 1.00 1.00 H new ATOM 78 N LYS A 7 -10.493 -2.212 3.774 1.00 1.00 N ATOM 79 CA LYS A 7 -11.559 -3.195 3.676 1.00 1.00 C ATOM 80 C LYS A 7 -12.771 -2.706 4.471 1.00 1.00 C ATOM 81 O LYS A 7 -12.679 -2.480 5.677 1.00 1.00 O ATOM 82 CB LYS A 7 -11.056 -4.574 4.107 1.00 1.00 C ATOM 83 CG LYS A 7 -10.362 -4.503 5.468 1.00 1.00 C ATOM 84 CD LYS A 7 -10.706 -5.724 6.323 1.00 1.00 C ATOM 85 CE LYS A 7 -10.166 -5.568 7.746 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.757 -6.589 8.640 1.00 1.00 N ATOM 0 H LYS A 7 -9.578 -2.597 4.006 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.881 -3.308 2.641 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.893 -5.271 4.157 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.362 -4.962 3.361 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.283 -4.446 5.327 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.665 -3.594 5.988 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.787 -5.858 6.353 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.286 -6.621 5.868 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.080 -5.665 7.742 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.396 -4.571 8.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.380 -6.469 9.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -11.791 -6.479 8.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.516 -7.538 8.290 1.00 1.00 H new ATOM 99 N ALA A 8 -13.881 -2.558 3.763 1.00 1.00 N ATOM 100 CA ALA A 8 -15.111 -2.101 4.387 1.00 1.00 C ATOM 101 C ALA A 8 -16.171 -3.199 4.281 1.00 1.00 C ATOM 102 O ALA A 8 -16.055 -4.100 3.452 1.00 1.00 O ATOM 103 CB ALA A 8 -15.561 -0.792 3.733 1.00 1.00 C ATOM 0 H ALA A 8 -13.954 -2.746 2.763 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.951 -1.898 5.446 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.484 -0.450 4.201 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.786 -0.036 3.862 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.734 -0.957 2.670 1.00 1.00 H new ATOM 109 N LYS A 9 -17.180 -3.087 5.132 1.00 1.00 N ATOM 110 CA LYS A 9 -18.260 -4.060 5.145 1.00 1.00 C ATOM 111 C LYS A 9 -19.366 -3.601 4.192 1.00 1.00 C ATOM 112 O LYS A 9 -20.467 -4.149 4.203 1.00 1.00 O ATOM 113 CB LYS A 9 -18.743 -4.306 6.576 1.00 1.00 C ATOM 114 CG LYS A 9 -19.553 -5.600 6.666 1.00 1.00 C ATOM 115 CD LYS A 9 -19.046 -6.487 7.804 1.00 1.00 C ATOM 116 CE LYS A 9 -18.859 -7.931 7.334 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.664 -8.854 8.164 1.00 1.00 N ATOM 0 H LYS A 9 -17.273 -2.338 5.818 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.907 -5.026 4.783 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -17.887 -4.361 7.248 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.354 -3.466 6.907 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.605 -5.364 6.825 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -19.487 -6.141 5.722 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -18.099 -6.098 8.179 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.753 -6.460 8.633 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -19.155 -8.021 6.289 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.806 -8.205 7.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.526 -9.830 7.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -19.363 -8.780 9.157 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.670 -8.602 8.088 1.00 1.00 H new ATOM 130 N ASN A 10 -19.034 -2.598 3.392 1.00 1.00 N ATOM 131 CA ASN A 10 -19.985 -2.058 2.436 1.00 1.00 C ATOM 132 C ASN A 10 -19.228 -1.313 1.334 1.00 1.00 C ATOM 133 O ASN A 10 -19.507 -0.146 1.064 1.00 1.00 O ATOM 134 CB ASN A 10 -20.939 -1.067 3.106 1.00 1.00 C ATOM 135 CG ASN A 10 -20.217 0.234 3.462 1.00 1.00 C ATOM 136 OD1 ASN A 10 -19.146 0.064 4.232 1.00 1.00 O flip ATOM 137 ND2 ASN A 10 -20.606 1.319 3.064 1.00 1.00 N flip ATOM 0 H ASN A 10 -18.120 -2.146 3.387 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.558 -2.890 2.026 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.774 -0.853 2.439 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.358 -1.513 4.008 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -21.437 1.378 2.475 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -20.101 2.167 3.320 1.00 1.00 H new ATOM 143 N GLY A 11 -18.285 -2.020 0.727 1.00 1.00 N ATOM 144 CA GLY A 11 -17.486 -1.441 -0.339 1.00 1.00 C ATOM 145 C GLY A 11 -16.132 -0.963 0.189 1.00 1.00 C ATOM 146 O GLY A 11 -16.063 -0.307 1.228 1.00 1.00 O ATOM 0 H GLY A 11 -18.057 -2.988 0.954 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.333 -2.179 -1.126 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.022 -0.604 -0.787 1.00 1.00 H new ATOM 150 N ASP A 12 -15.089 -1.308 -0.551 1.00 1.00 N ATOM 151 CA ASP A 12 -13.740 -0.922 -0.170 1.00 1.00 C ATOM 152 C ASP A 12 -13.531 0.561 -0.483 1.00 1.00 C ATOM 153 O ASP A 12 -14.339 1.172 -1.181 1.00 1.00 O ATOM 154 CB ASP A 12 -12.698 -1.722 -0.952 1.00 1.00 C ATOM 155 CG ASP A 12 -13.132 -3.132 -1.356 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.608 -3.356 -2.479 1.00 1.00 O ATOM 157 OD2 ASP A 12 -12.965 -4.035 -0.450 1.00 1.00 O ATOM 0 H ASP A 12 -15.150 -1.851 -1.413 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.621 -1.119 0.895 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.437 -1.167 -1.853 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.792 -1.796 -0.350 1.00 1.00 H new ATOM 163 N VAL A 13 -12.443 1.098 0.049 1.00 1.00 N ATOM 164 CA VAL A 13 -12.117 2.498 -0.165 1.00 1.00 C ATOM 165 C VAL A 13 -10.720 2.604 -0.777 1.00 1.00 C ATOM 166 O VAL A 13 -9.786 1.950 -0.317 1.00 1.00 O ATOM 167 CB VAL A 13 -12.256 3.273 1.147 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.762 4.712 0.987 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.700 3.241 1.653 1.00 1.00 C ATOM 0 H VAL A 13 -11.776 0.589 0.628 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.815 2.950 -0.870 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.630 2.784 1.893 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.871 5.242 1.933 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.712 4.706 0.694 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.350 5.215 0.219 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.771 3.799 2.587 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.356 3.693 0.909 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.003 2.208 1.824 1.00 1.00 H new ATOM 175 N LYS A 14 -10.622 3.432 -1.807 1.00 1.00 N ATOM 176 CA LYS A 14 -9.353 3.633 -2.487 1.00 1.00 C ATOM 177 C LYS A 14 -8.681 4.895 -1.943 1.00 1.00 C ATOM 178 O LYS A 14 -9.205 5.998 -2.099 1.00 1.00 O ATOM 179 CB LYS A 14 -9.556 3.649 -4.004 1.00 1.00 C ATOM 180 CG LYS A 14 -9.015 2.367 -4.643 1.00 1.00 C ATOM 181 CD LYS A 14 -7.559 2.126 -4.238 1.00 1.00 C ATOM 182 CE LYS A 14 -6.639 2.156 -5.460 1.00 1.00 C ATOM 183 NZ LYS A 14 -7.053 1.135 -6.447 1.00 1.00 N ATOM 0 H LYS A 14 -11.400 3.971 -2.187 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.677 2.801 -2.287 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.617 3.753 -4.232 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.051 4.515 -4.433 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.627 1.518 -4.338 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.088 2.438 -5.728 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.246 2.887 -3.523 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.472 1.162 -3.736 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.666 3.145 -5.918 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.609 1.975 -5.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.218 0.793 -6.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.504 0.338 -5.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -7.728 1.554 -7.118 1.00 1.00 H new ATOM 196 N PHE A 15 -7.532 4.692 -1.317 1.00 1.00 N ATOM 197 CA PHE A 15 -6.783 5.800 -0.749 1.00 1.00 C ATOM 198 C PHE A 15 -5.295 5.685 -1.083 1.00 1.00 C ATOM 199 O PHE A 15 -4.566 4.855 -0.543 1.00 1.00 O ATOM 200 CB PHE A 15 -6.960 5.729 0.769 1.00 1.00 C ATOM 201 CG PHE A 15 -6.360 6.918 1.522 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.713 8.186 1.182 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.475 6.707 2.533 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.156 9.290 1.881 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.918 7.810 3.232 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.271 9.079 2.890 1.00 1.00 C ATOM 0 H PHE A 15 -7.101 3.776 -1.190 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.147 6.743 -1.157 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.024 5.667 0.998 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.501 4.811 1.135 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.417 8.354 0.380 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.196 5.700 2.804 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.436 10.297 1.610 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.215 7.642 4.034 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.847 9.919 3.421 1.00 1.00 H new ATOM 216 N PRO A 16 -4.854 6.550 -2.000 1.00 1.00 N ATOM 217 CA PRO A 16 -3.485 6.619 -2.464 1.00 1.00 C ATOM 218 C PRO A 16 -2.648 7.412 -1.471 1.00 1.00 C ATOM 219 O PRO A 16 -2.478 8.615 -1.656 1.00 1.00 O ATOM 220 CB PRO A 16 -3.564 7.336 -3.810 1.00 1.00 C ATOM 221 CG PRO A 16 -4.739 8.277 -3.603 1.00 1.00 C ATOM 222 CD PRO A 16 -5.681 7.538 -2.655 1.00 1.00 C ATOM 0 HA PRO A 16 -3.019 5.638 -2.559 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.645 7.876 -4.038 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.738 6.641 -4.632 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.414 9.225 -3.175 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.231 8.506 -4.548 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.128 8.220 -1.932 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.500 7.069 -3.199 1.00 1.00 H new ATOM 230 N HIS A 17 -2.142 6.735 -0.440 1.00 1.00 N ATOM 231 CA HIS A 17 -1.323 7.359 0.592 1.00 1.00 C ATOM 232 C HIS A 17 -0.181 8.158 -0.062 1.00 1.00 C ATOM 233 O HIS A 17 -0.053 9.359 0.173 1.00 1.00 O ATOM 234 CB HIS A 17 -0.854 6.277 1.577 1.00 1.00 C ATOM 235 CG HIS A 17 -0.167 6.756 2.835 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.164 6.788 2.960 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.674 7.220 4.025 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.473 7.256 4.180 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.375 7.538 4.878 1.00 1.00 N ATOM 0 H HIS A 17 -2.291 5.736 -0.299 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.896 8.083 1.172 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.720 5.683 1.868 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.172 5.610 1.050 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.834 6.504 2.246 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.723 7.321 4.260 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.480 7.387 4.547 1.00 1.00 H new ATOM 247 N LYS A 18 0.610 7.462 -0.864 1.00 1.00 N ATOM 248 CA LYS A 18 1.727 8.094 -1.547 1.00 1.00 C ATOM 249 C LYS A 18 1.302 9.480 -2.036 1.00 1.00 C ATOM 250 O LYS A 18 2.092 10.422 -2.003 1.00 1.00 O ATOM 251 CB LYS A 18 2.257 7.187 -2.659 1.00 1.00 C ATOM 252 CG LYS A 18 2.828 8.012 -3.814 1.00 1.00 C ATOM 253 CD LYS A 18 1.751 8.314 -4.857 1.00 1.00 C ATOM 254 CE LYS A 18 2.378 8.635 -6.215 1.00 1.00 C ATOM 255 NZ LYS A 18 1.597 8.012 -7.307 1.00 1.00 N ATOM 0 H LYS A 18 0.500 6.466 -1.057 1.00 1.00 H new ATOM 0 HA LYS A 18 2.561 8.239 -0.860 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.030 6.530 -2.260 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.454 6.548 -3.026 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.239 8.946 -3.430 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.650 7.470 -4.281 1.00 1.00 H new ATOM 0 HD2 LYS A 18 1.083 7.458 -4.954 1.00 1.00 H new ATOM 0 HD3 LYS A 18 1.144 9.156 -4.525 1.00 1.00 H new ATOM 0 HE2 LYS A 18 2.417 9.715 -6.358 1.00 1.00 H new ATOM 0 HE3 LYS A 18 3.406 8.273 -6.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.036 8.240 -8.222 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 1.582 6.980 -7.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 0.624 8.378 -7.290 1.00 1.00 H new ATOM 268 N ALA A 19 0.054 9.561 -2.475 1.00 1.00 N ATOM 269 CA ALA A 19 -0.485 10.816 -2.970 1.00 1.00 C ATOM 270 C ALA A 19 -0.637 11.795 -1.803 1.00 1.00 C ATOM 271 O ALA A 19 -0.265 12.961 -1.906 1.00 1.00 O ATOM 272 CB ALA A 19 -1.810 10.555 -3.688 1.00 1.00 C ATOM 0 H ALA A 19 -0.599 8.778 -2.498 1.00 1.00 H new ATOM 0 HA ALA A 19 0.194 11.267 -3.694 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.214 11.497 -4.059 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.643 9.877 -4.525 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.518 10.105 -2.992 1.00 1.00 H new ATOM 278 N HIS A 20 -1.192 11.280 -0.705 1.00 1.00 N ATOM 279 CA HIS A 20 -1.418 12.060 0.507 1.00 1.00 C ATOM 280 C HIS A 20 -0.100 12.198 1.291 1.00 1.00 C ATOM 281 O HIS A 20 -0.097 12.709 2.410 1.00 1.00 O ATOM 282 CB HIS A 20 -2.563 11.417 1.305 1.00 1.00 C ATOM 283 CG HIS A 20 -3.966 11.676 0.808 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.391 11.270 -0.392 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.032 12.317 1.394 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.671 11.644 -0.548 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.116 12.293 0.526 1.00 1.00 N ATOM 0 H HIS A 20 -1.497 10.309 -0.633 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.731 13.078 0.274 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.402 10.339 1.323 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.497 11.766 2.336 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.834 10.759 -1.077 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.027 12.768 2.375 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.262 11.444 -1.429 1.00 1.00 H new ATOM 295 N GLN A 21 0.978 11.739 0.673 1.00 1.00 N ATOM 296 CA GLN A 21 2.287 11.810 1.299 1.00 1.00 C ATOM 297 C GLN A 21 3.096 12.968 0.710 1.00 1.00 C ATOM 298 O GLN A 21 4.257 13.164 1.069 1.00 1.00 O ATOM 299 CB GLN A 21 3.038 10.484 1.150 1.00 1.00 C ATOM 300 CG GLN A 21 4.147 10.363 2.196 1.00 1.00 C ATOM 301 CD GLN A 21 4.933 9.062 2.014 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.328 7.990 2.517 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 6.016 9.034 1.452 1.00 1.00 N flip ATOM 0 H GLN A 21 0.972 11.316 -0.255 1.00 1.00 H new ATOM 0 HA GLN A 21 2.149 11.995 2.364 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.341 9.653 1.256 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.467 10.415 0.150 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.823 11.215 2.115 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.714 10.394 3.196 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.424 9.895 1.089 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.513 8.149 1.346 1.00 1.00 H new ATOM 311 N LYS A 22 2.452 13.704 -0.183 1.00 1.00 N ATOM 312 CA LYS A 22 3.095 14.837 -0.824 1.00 1.00 C ATOM 313 C LYS A 22 2.039 15.884 -1.181 1.00 1.00 C ATOM 314 O LYS A 22 2.273 16.741 -2.032 1.00 1.00 O ATOM 315 CB LYS A 22 3.931 14.372 -2.018 1.00 1.00 C ATOM 316 CG LYS A 22 5.362 14.906 -1.927 1.00 1.00 C ATOM 317 CD LYS A 22 5.534 16.163 -2.783 1.00 1.00 C ATOM 318 CE LYS A 22 5.945 17.359 -1.923 1.00 1.00 C ATOM 319 NZ LYS A 22 4.789 18.257 -1.698 1.00 1.00 N ATOM 0 H LYS A 22 1.490 13.537 -0.478 1.00 1.00 H new ATOM 0 HA LYS A 22 3.796 15.315 -0.140 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.947 13.283 -2.053 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.470 14.714 -2.945 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.604 15.133 -0.889 1.00 1.00 H new ATOM 0 HG3 LYS A 22 6.062 14.138 -2.257 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.288 15.985 -3.549 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.601 16.386 -3.300 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.334 17.010 -0.966 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.749 17.908 -2.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.840 18.655 -0.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.808 19.029 -2.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.905 17.718 -1.803 1.00 1.00 H new ATOM 332 N ALA A 23 0.899 15.780 -0.515 1.00 1.00 N ATOM 333 CA ALA A 23 -0.194 16.707 -0.753 1.00 1.00 C ATOM 334 C ALA A 23 -0.517 17.452 0.545 1.00 1.00 C ATOM 335 O ALA A 23 -1.492 18.198 0.610 1.00 1.00 O ATOM 336 CB ALA A 23 -1.402 15.943 -1.301 1.00 1.00 C ATOM 0 H ALA A 23 0.708 15.068 0.190 1.00 1.00 H new ATOM 0 HA ALA A 23 0.089 17.450 -1.499 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.222 16.639 -1.480 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.130 15.455 -2.237 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.716 15.191 -0.577 1.00 1.00 H new ATOM 342 N VAL A 24 0.322 17.223 1.544 1.00 1.00 N ATOM 343 CA VAL A 24 0.139 17.863 2.837 1.00 1.00 C ATOM 344 C VAL A 24 1.369 18.715 3.158 1.00 1.00 C ATOM 345 O VAL A 24 2.300 18.286 3.836 1.00 1.00 O ATOM 346 CB VAL A 24 -0.154 16.809 3.906 1.00 1.00 C ATOM 347 CG1 VAL A 24 -0.865 17.431 5.108 1.00 1.00 C ATOM 348 CG2 VAL A 24 -0.968 15.651 3.325 1.00 1.00 C ATOM 0 H VAL A 24 1.130 16.604 1.485 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.722 18.531 2.814 1.00 1.00 H new ATOM 0 HB VAL A 24 0.799 16.408 4.252 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.062 16.660 5.853 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.233 18.205 5.544 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -1.808 17.872 4.785 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.163 14.916 4.106 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.914 16.029 2.939 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.408 15.182 2.516 1.00 1.00 H new ATOM 354 N PRO A 25 1.350 19.949 2.647 1.00 1.00 N ATOM 355 CA PRO A 25 2.405 20.922 2.827 1.00 1.00 C ATOM 356 C PRO A 25 3.040 20.739 4.199 1.00 1.00 C ATOM 357 O PRO A 25 4.242 20.963 4.331 1.00 1.00 O ATOM 358 CB PRO A 25 1.710 22.277 2.722 1.00 1.00 C ATOM 359 CG PRO A 25 0.651 21.943 1.598 1.00 1.00 C ATOM 360 CD PRO A 25 0.271 20.485 1.846 1.00 1.00 C ATOM 0 HA PRO A 25 3.203 20.823 2.091 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.244 22.582 3.659 1.00 1.00 H new ATOM 0 HB3 PRO A 25 2.392 23.076 2.430 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -0.219 22.596 1.667 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.074 22.078 0.602 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -0.683 20.409 2.367 1.00 1.00 H new ATOM 0 HD3 PRO A 25 0.166 19.939 0.908 1.00 1.00 H new ATOM 368 N ASP A 26 2.239 20.346 5.177 1.00 1.00 N ATOM 369 CA ASP A 26 2.743 20.143 6.524 1.00 1.00 C ATOM 370 C ASP A 26 2.121 18.875 7.112 1.00 1.00 C ATOM 371 O ASP A 26 1.006 18.909 7.630 1.00 1.00 O ATOM 372 CB ASP A 26 2.374 21.317 7.433 1.00 1.00 C ATOM 373 CG ASP A 26 3.297 21.518 8.637 1.00 1.00 C ATOM 374 OD1 ASP A 26 4.140 22.426 8.650 1.00 1.00 O ATOM 375 OD2 ASP A 26 3.121 20.681 9.603 1.00 1.00 O ATOM 0 H ASP A 26 1.242 20.162 5.063 1.00 1.00 H new ATOM 0 HA ASP A 26 3.828 20.058 6.468 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.373 22.231 6.839 1.00 1.00 H new ATOM 0 HB3 ASP A 26 1.356 21.171 7.795 1.00 1.00 H new ATOM 381 N CYS A 27 2.870 17.786 7.013 1.00 1.00 N ATOM 382 CA CYS A 27 2.406 16.510 7.529 1.00 1.00 C ATOM 383 C CYS A 27 2.134 16.667 9.027 1.00 1.00 C ATOM 384 O CYS A 27 2.259 17.763 9.572 1.00 1.00 O ATOM 385 CB CYS A 27 3.406 15.387 7.246 1.00 1.00 C ATOM 386 SG CYS A 27 2.679 13.709 7.184 1.00 1.00 S ATOM 0 H CYS A 27 3.795 17.762 6.583 1.00 1.00 H new ATOM 0 HA CYS A 27 1.485 16.224 7.021 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.899 15.590 6.295 1.00 1.00 H new ATOM 0 HB3 CYS A 27 4.178 15.405 8.015 1.00 1.00 H new ATOM 391 N LYS A 28 1.766 15.557 9.649 1.00 1.00 N ATOM 392 CA LYS A 28 1.474 15.558 11.072 1.00 1.00 C ATOM 393 C LYS A 28 0.017 15.970 11.290 1.00 1.00 C ATOM 394 O LYS A 28 -0.466 15.982 12.422 1.00 1.00 O ATOM 395 CB LYS A 28 2.480 16.433 11.824 1.00 1.00 C ATOM 396 CG LYS A 28 2.841 15.814 13.177 1.00 1.00 C ATOM 397 CD LYS A 28 3.861 16.679 13.920 1.00 1.00 C ATOM 398 CE LYS A 28 5.287 16.348 13.476 1.00 1.00 C ATOM 399 NZ LYS A 28 6.244 17.329 14.035 1.00 1.00 N ATOM 0 H LYS A 28 1.663 14.650 9.193 1.00 1.00 H new ATOM 0 HA LYS A 28 1.586 14.555 11.485 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.382 16.555 11.224 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.061 17.428 11.975 1.00 1.00 H new ATOM 0 HG2 LYS A 28 1.941 15.705 13.783 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.248 14.814 13.027 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.654 17.733 13.734 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.764 16.520 14.994 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.553 15.343 13.805 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.346 16.353 12.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.207 17.090 13.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.999 18.283 13.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.199 17.304 15.074 1.00 1.00 H new ATOM 412 N LYS A 29 -0.643 16.300 10.189 1.00 1.00 N ATOM 413 CA LYS A 29 -2.034 16.712 10.246 1.00 1.00 C ATOM 414 C LYS A 29 -2.884 15.554 10.775 1.00 1.00 C ATOM 415 O LYS A 29 -3.626 15.715 11.743 1.00 1.00 O ATOM 416 CB LYS A 29 -2.493 17.239 8.885 1.00 1.00 C ATOM 417 CG LYS A 29 -3.968 17.644 8.922 1.00 1.00 C ATOM 418 CD LYS A 29 -4.214 18.722 9.978 1.00 1.00 C ATOM 419 CE LYS A 29 -5.119 18.199 11.097 1.00 1.00 C ATOM 420 NZ LYS A 29 -5.894 19.306 11.698 1.00 1.00 N ATOM 0 H LYS A 29 -0.239 16.290 9.252 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.157 17.542 10.942 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.884 18.097 8.599 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.342 16.473 8.125 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.272 18.013 7.943 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.583 16.771 9.138 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.263 19.048 10.398 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.673 19.594 9.512 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -5.799 17.445 10.700 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.515 17.712 11.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -6.502 18.933 12.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -5.241 20.012 12.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -6.485 19.753 10.968 1.00 1.00 H new ATOM 433 N CYS A 30 -2.746 14.413 10.117 1.00 1.00 N ATOM 434 CA CYS A 30 -3.491 13.229 10.508 1.00 1.00 C ATOM 435 C CYS A 30 -2.699 12.500 11.595 1.00 1.00 C ATOM 436 O CYS A 30 -3.251 12.100 12.618 1.00 1.00 O ATOM 437 CB CYS A 30 -3.784 12.322 9.310 1.00 1.00 C ATOM 438 SG CYS A 30 -3.874 13.319 7.779 1.00 1.00 S ATOM 0 H CYS A 30 -2.129 14.283 9.315 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.463 13.523 10.903 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.004 11.566 9.216 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.724 11.793 9.465 1.00 1.00 H new ATOM 443 N HIS A 31 -1.399 12.345 11.337 1.00 1.00 N ATOM 444 CA HIS A 31 -0.485 11.676 12.254 1.00 1.00 C ATOM 445 C HIS A 31 -0.080 12.642 13.384 1.00 1.00 C ATOM 446 O HIS A 31 1.105 12.782 13.683 1.00 1.00 O ATOM 447 CB HIS A 31 0.698 11.110 11.454 1.00 1.00 C ATOM 448 CG HIS A 31 0.375 10.062 10.414 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.311 8.951 10.701 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.668 9.994 9.073 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.440 8.219 9.582 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.147 8.818 8.547 1.00 1.00 N ATOM 0 H HIS A 31 -0.953 12.682 10.484 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.964 10.829 12.746 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.200 11.940 10.956 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.411 10.682 12.158 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -0.677 8.700 11.620 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.217 10.738 8.515 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.952 7.270 9.529 1.00 1.00 H new ATOM 460 N GLU A 32 -1.083 13.275 13.973 1.00 1.00 N ATOM 461 CA GLU A 32 -0.842 14.215 15.055 1.00 1.00 C ATOM 462 C GLU A 32 -0.372 13.473 16.308 1.00 1.00 C ATOM 463 O GLU A 32 -1.050 13.487 17.333 1.00 1.00 O ATOM 464 CB GLU A 32 -2.092 15.047 15.347 1.00 1.00 C ATOM 465 CG GLU A 32 -3.236 14.161 15.846 1.00 1.00 C ATOM 466 CD GLU A 32 -3.950 14.806 17.036 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.316 15.518 17.829 1.00 1.00 O ATOM 468 OE2 GLU A 32 -5.210 14.546 17.120 1.00 1.00 O ATOM 0 H GLU A 32 -2.064 13.156 13.722 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.053 14.901 14.745 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.862 15.806 16.095 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -2.402 15.573 14.444 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.948 13.991 15.038 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.845 13.186 16.137 1.00 1.00 H new ATOM 476 N LYS A 33 0.787 12.842 16.183 1.00 1.00 N ATOM 477 CA LYS A 33 1.356 12.095 17.292 1.00 1.00 C ATOM 478 C LYS A 33 2.510 11.231 16.781 1.00 1.00 C ATOM 479 O LYS A 33 3.601 11.248 17.348 1.00 1.00 O ATOM 480 CB LYS A 33 0.268 11.301 18.017 1.00 1.00 C ATOM 481 CG LYS A 33 0.747 9.884 18.342 1.00 1.00 C ATOM 482 CD LYS A 33 -0.189 9.205 19.344 1.00 1.00 C ATOM 483 CE LYS A 33 0.576 8.213 20.223 1.00 1.00 C ATOM 484 NZ LYS A 33 -0.337 7.570 21.194 1.00 1.00 N ATOM 0 H LYS A 33 1.347 12.833 15.331 1.00 1.00 H new ATOM 0 HA LYS A 33 1.772 12.775 18.036 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.010 11.815 18.937 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -0.627 11.253 17.396 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.796 9.294 17.427 1.00 1.00 H new ATOM 0 HG3 LYS A 33 1.757 9.922 18.751 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.666 9.959 19.970 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -0.984 8.685 18.810 1.00 1.00 H new ATOM 0 HE2 LYS A 33 1.047 7.453 19.599 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.376 8.730 20.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 0.198 6.900 21.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -0.767 8.297 21.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -1.085 7.060 20.682 1.00 1.00 H new ATOM 497 N GLY A 34 2.230 10.496 15.715 1.00 1.00 N ATOM 498 CA GLY A 34 3.231 9.627 15.121 1.00 1.00 C ATOM 499 C GLY A 34 2.588 8.630 14.154 1.00 1.00 C ATOM 500 O GLY A 34 1.409 8.300 14.246 1.00 1.00 O ATOM 0 H GLY A 34 1.324 10.485 15.247 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.971 10.227 14.591 1.00 1.00 H new ATOM 0 HA3 GLY A 34 3.761 9.088 15.906 1.00 1.00 H new ATOM 504 N PRO A 35 3.404 8.153 13.210 1.00 1.00 N ATOM 505 CA PRO A 35 3.009 7.201 12.194 1.00 1.00 C ATOM 506 C PRO A 35 2.458 5.948 12.858 1.00 1.00 C ATOM 507 O PRO A 35 2.054 6.018 14.017 1.00 1.00 O ATOM 508 CB PRO A 35 4.292 6.895 11.424 1.00 1.00 C ATOM 509 CG PRO A 35 5.467 7.299 12.450 1.00 1.00 C ATOM 510 CD PRO A 35 4.797 8.521 13.072 1.00 1.00 C ATOM 0 HA PRO A 35 2.229 7.582 11.535 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.349 5.843 11.146 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.351 7.472 10.501 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.684 6.517 13.177 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.405 7.537 11.949 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.239 8.765 14.038 1.00 1.00 H new ATOM 0 HD3 PRO A 35 4.912 9.400 12.438 1.00 1.00 H new ATOM 518 N GLY A 36 2.449 4.843 12.126 1.00 1.00 N ATOM 519 CA GLY A 36 1.942 3.593 12.663 1.00 1.00 C ATOM 520 C GLY A 36 0.412 3.577 12.666 1.00 1.00 C ATOM 521 O GLY A 36 -0.223 4.601 12.422 1.00 1.00 O ATOM 0 H GLY A 36 2.785 4.788 11.165 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.317 2.759 12.069 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.313 3.453 13.678 1.00 1.00 H new ATOM 525 N LYS A 37 -0.136 2.403 12.946 1.00 1.00 N ATOM 526 CA LYS A 37 -1.579 2.241 12.985 1.00 1.00 C ATOM 527 C LYS A 37 -2.195 3.384 13.794 1.00 1.00 C ATOM 528 O LYS A 37 -1.988 3.476 15.002 1.00 1.00 O ATOM 529 CB LYS A 37 -1.948 0.850 13.505 1.00 1.00 C ATOM 530 CG LYS A 37 -1.888 0.803 15.033 1.00 1.00 C ATOM 531 CD LYS A 37 -3.243 1.163 15.647 1.00 1.00 C ATOM 532 CE LYS A 37 -3.793 0.003 16.478 1.00 1.00 C ATOM 533 NZ LYS A 37 -4.321 -1.062 15.597 1.00 1.00 N ATOM 0 H LYS A 37 0.394 1.555 13.148 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.996 2.301 11.980 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.951 0.586 13.168 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.266 0.109 13.088 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.591 -0.194 15.358 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.127 1.496 15.392 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.138 2.048 16.275 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -3.949 1.416 14.856 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.006 -0.401 17.115 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.583 0.363 17.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -4.690 -1.842 16.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -5.086 -0.677 15.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -3.558 -1.417 14.986 1.00 1.00 H new ATOM 546 N ILE A 38 -2.940 4.226 13.094 1.00 1.00 N ATOM 547 CA ILE A 38 -3.588 5.359 13.732 1.00 1.00 C ATOM 548 C ILE A 38 -4.447 4.861 14.896 1.00 1.00 C ATOM 549 O ILE A 38 -5.138 3.851 14.774 1.00 1.00 O ATOM 550 CB ILE A 38 -4.366 6.182 12.702 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.418 7.013 11.835 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.429 7.048 13.381 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.196 7.988 10.950 1.00 1.00 C ATOM 0 H ILE A 38 -3.109 4.147 12.091 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.844 6.036 14.151 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.888 5.493 12.039 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.728 7.566 12.472 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.816 6.352 11.212 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.967 7.622 12.627 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.130 6.409 13.919 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.949 7.730 14.082 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.498 8.566 10.344 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.867 7.430 10.297 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.778 8.664 11.577 1.00 1.00 H new ATOM 560 N GLU A 39 -4.376 5.595 15.998 1.00 1.00 N ATOM 561 CA GLU A 39 -5.139 5.240 17.182 1.00 1.00 C ATOM 562 C GLU A 39 -6.433 4.526 16.787 1.00 1.00 C ATOM 563 O GLU A 39 -7.436 5.172 16.486 1.00 1.00 O ATOM 564 CB GLU A 39 -5.432 6.475 18.036 1.00 1.00 C ATOM 565 CG GLU A 39 -5.258 6.168 19.525 1.00 1.00 C ATOM 566 CD GLU A 39 -4.285 7.152 20.177 1.00 1.00 C ATOM 567 OE1 GLU A 39 -4.085 8.261 19.660 1.00 1.00 O ATOM 568 OE2 GLU A 39 -3.725 6.728 21.259 1.00 1.00 O ATOM 0 H GLU A 39 -3.802 6.433 16.095 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.540 4.556 17.784 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.764 7.287 17.748 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.450 6.818 17.848 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -6.224 6.221 20.026 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.889 5.150 19.649 1.00 1.00 H new ATOM 576 N GLY A 40 -6.369 3.202 16.802 1.00 1.00 N ATOM 577 CA GLY A 40 -7.524 2.394 16.448 1.00 1.00 C ATOM 578 C GLY A 40 -8.475 3.167 15.531 1.00 1.00 C ATOM 579 O GLY A 40 -9.486 3.699 15.986 1.00 1.00 O ATOM 0 H GLY A 40 -5.536 2.669 17.053 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.195 1.482 15.950 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.051 2.091 17.353 1.00 1.00 H new ATOM 583 N PHE A 41 -8.116 3.204 14.256 1.00 1.00 N ATOM 584 CA PHE A 41 -8.924 3.904 13.272 1.00 1.00 C ATOM 585 C PHE A 41 -10.394 3.493 13.379 1.00 1.00 C ATOM 586 O PHE A 41 -10.702 2.322 13.598 1.00 1.00 O ATOM 587 CB PHE A 41 -8.395 3.504 11.894 1.00 1.00 C ATOM 588 CG PHE A 41 -9.142 4.154 10.727 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.437 3.821 10.478 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.511 5.067 9.940 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.130 4.425 9.396 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.204 5.671 8.857 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.498 5.337 8.608 1.00 1.00 C ATOM 0 H PHE A 41 -7.277 2.761 13.882 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.862 4.980 13.436 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.340 3.770 11.830 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.457 2.420 11.793 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -10.938 3.097 11.103 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.483 5.333 10.139 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.158 4.161 9.198 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.703 6.395 8.232 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.025 5.796 7.784 1.00 1.00 H new ATOM 603 N GLY A 42 -11.264 4.480 13.219 1.00 1.00 N ATOM 604 CA GLY A 42 -12.694 4.237 13.294 1.00 1.00 C ATOM 605 C GLY A 42 -13.423 4.872 12.108 1.00 1.00 C ATOM 606 O GLY A 42 -12.885 5.761 11.449 1.00 1.00 O ATOM 0 H GLY A 42 -11.005 5.450 13.038 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.883 3.164 13.309 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.087 4.643 14.226 1.00 1.00 H new ATOM 610 N LYS A 43 -14.634 4.391 11.872 1.00 1.00 N ATOM 611 CA LYS A 43 -15.441 4.899 10.776 1.00 1.00 C ATOM 612 C LYS A 43 -15.864 6.337 11.085 1.00 1.00 C ATOM 613 O LYS A 43 -15.599 7.248 10.301 1.00 1.00 O ATOM 614 CB LYS A 43 -16.615 3.960 10.494 1.00 1.00 C ATOM 615 CG LYS A 43 -16.146 2.699 9.765 1.00 1.00 C ATOM 616 CD LYS A 43 -15.554 1.687 10.748 1.00 1.00 C ATOM 617 CE LYS A 43 -14.031 1.623 10.618 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.503 0.417 11.294 1.00 1.00 N ATOM 0 H LYS A 43 -15.076 3.654 12.421 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.858 4.928 9.855 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.098 3.684 11.431 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.362 4.477 9.891 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.984 2.248 9.234 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.400 2.964 9.016 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.824 1.964 11.767 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.980 0.701 10.562 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.750 1.609 9.565 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.585 2.517 11.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.468 0.389 11.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.755 0.446 12.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.915 -0.433 10.859 1.00 1.00 H new ATOM 631 N GLU A 44 -16.513 6.496 12.229 1.00 1.00 N ATOM 632 CA GLU A 44 -16.975 7.807 12.651 1.00 1.00 C ATOM 633 C GLU A 44 -15.916 8.868 12.344 1.00 1.00 C ATOM 634 O GLU A 44 -16.246 9.977 11.927 1.00 1.00 O ATOM 635 CB GLU A 44 -17.337 7.809 14.138 1.00 1.00 C ATOM 636 CG GLU A 44 -16.091 8.001 15.005 1.00 1.00 C ATOM 637 CD GLU A 44 -15.197 6.760 14.963 1.00 1.00 C ATOM 638 OE1 GLU A 44 -14.095 6.809 14.398 1.00 1.00 O ATOM 639 OE2 GLU A 44 -15.684 5.718 15.548 1.00 1.00 O ATOM 0 H GLU A 44 -16.730 5.738 12.877 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.878 8.049 12.090 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.052 8.606 14.341 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.825 6.870 14.399 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.531 8.869 14.656 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.387 8.205 16.034 1.00 1.00 H new ATOM 647 N MET A 45 -14.665 8.489 12.560 1.00 1.00 N ATOM 648 CA MET A 45 -13.555 9.394 12.311 1.00 1.00 C ATOM 649 C MET A 45 -13.369 9.633 10.812 1.00 1.00 C ATOM 650 O MET A 45 -13.099 10.756 10.388 1.00 1.00 O ATOM 651 CB MET A 45 -12.272 8.800 12.896 1.00 1.00 C ATOM 652 CG MET A 45 -11.696 9.708 13.986 1.00 1.00 C ATOM 653 SD MET A 45 -12.290 9.190 15.588 1.00 1.00 S ATOM 654 CE MET A 45 -11.553 10.451 16.615 1.00 1.00 C ATOM 0 H MET A 45 -14.395 7.568 12.905 1.00 1.00 H new ATOM 0 HA MET A 45 -13.775 10.349 12.788 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.480 7.814 13.311 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.536 8.664 12.104 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.607 9.671 13.963 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.984 10.742 13.799 1.00 1.00 H new ATOM 0 HE1 MET A 45 -11.825 10.277 17.656 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.468 10.416 16.512 1.00 1.00 H new ATOM 0 HE3 MET A 45 -11.915 11.431 16.304 1.00 1.00 H new ATOM 664 N ALA A 46 -13.521 8.560 10.050 1.00 1.00 N ATOM 665 CA ALA A 46 -13.374 8.640 8.606 1.00 1.00 C ATOM 666 C ALA A 46 -14.204 9.811 8.077 1.00 1.00 C ATOM 667 O ALA A 46 -13.660 10.798 7.585 1.00 1.00 O ATOM 668 CB ALA A 46 -13.779 7.305 7.977 1.00 1.00 C ATOM 0 H ALA A 46 -13.744 7.630 10.405 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.335 8.825 8.335 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.669 7.365 6.894 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.139 6.512 8.364 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.818 7.086 8.225 1.00 1.00 H new ATOM 674 N HIS A 47 -15.523 9.664 8.195 1.00 1.00 N ATOM 675 CA HIS A 47 -16.476 10.675 7.746 1.00 1.00 C ATOM 676 C HIS A 47 -16.227 11.994 8.501 1.00 1.00 C ATOM 677 O HIS A 47 -16.755 13.035 8.114 1.00 1.00 O ATOM 678 CB HIS A 47 -17.899 10.118 7.898 1.00 1.00 C ATOM 679 CG HIS A 47 -18.172 8.771 7.269 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.905 7.830 7.874 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.784 8.238 6.064 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.971 6.753 7.076 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.295 6.951 5.945 1.00 1.00 N ATOM 0 H HIS A 47 -15.960 8.839 8.605 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.344 10.909 6.690 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.125 10.049 8.962 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.594 10.840 7.471 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -19.342 7.917 8.791 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.177 8.740 5.325 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.502 5.845 7.319 1.00 1.00 H new ATOM 691 N GLY A 48 -15.429 11.903 9.554 1.00 1.00 N ATOM 692 CA GLY A 48 -15.111 13.074 10.354 1.00 1.00 C ATOM 693 C GLY A 48 -13.919 13.833 9.766 1.00 1.00 C ATOM 694 O GLY A 48 -13.754 13.888 8.548 1.00 1.00 O ATOM 0 H GLY A 48 -14.993 11.037 9.872 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -15.978 13.733 10.402 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.885 12.770 11.376 1.00 1.00 H new ATOM 698 N LYS A 49 -13.121 14.399 10.658 1.00 1.00 N ATOM 699 CA LYS A 49 -11.949 15.153 10.243 1.00 1.00 C ATOM 700 C LYS A 49 -10.754 14.206 10.126 1.00 1.00 C ATOM 701 O LYS A 49 -9.684 14.480 10.669 1.00 1.00 O ATOM 702 CB LYS A 49 -11.710 16.333 11.186 1.00 1.00 C ATOM 703 CG LYS A 49 -12.403 17.597 10.671 1.00 1.00 C ATOM 704 CD LYS A 49 -13.455 18.090 11.666 1.00 1.00 C ATOM 705 CE LYS A 49 -14.776 17.338 11.485 1.00 1.00 C ATOM 706 NZ LYS A 49 -15.923 18.259 11.649 1.00 1.00 N ATOM 0 H LYS A 49 -13.262 14.351 11.667 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.106 15.590 9.257 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.083 16.089 12.181 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.640 16.515 11.283 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.662 18.379 10.502 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -12.874 17.392 9.710 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -13.091 17.952 12.684 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -13.619 19.159 11.528 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -14.808 16.880 10.496 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -14.844 16.530 12.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.811 17.733 11.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.900 18.676 12.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -15.865 19.016 10.938 1.00 1.00 H new ATOM 719 N GLY A 50 -10.975 13.109 9.416 1.00 1.00 N ATOM 720 CA GLY A 50 -9.929 12.120 9.222 1.00 1.00 C ATOM 721 C GLY A 50 -10.110 11.383 7.893 1.00 1.00 C ATOM 722 O GLY A 50 -9.622 10.267 7.726 1.00 1.00 O ATOM 0 H GLY A 50 -11.863 12.884 8.968 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.954 12.608 9.242 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.944 11.404 10.044 1.00 1.00 H new ATOM 726 N CYS A 51 -10.816 12.038 6.981 1.00 1.00 N ATOM 727 CA CYS A 51 -11.069 11.459 5.673 1.00 1.00 C ATOM 728 C CYS A 51 -11.864 12.470 4.846 1.00 1.00 C ATOM 729 O CYS A 51 -11.321 13.102 3.941 1.00 1.00 O ATOM 730 CB CYS A 51 -11.791 10.115 5.780 1.00 1.00 C ATOM 731 SG CYS A 51 -11.254 8.855 4.565 1.00 1.00 S ATOM 0 H CYS A 51 -11.220 12.964 7.123 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.122 11.249 5.176 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.642 9.718 6.784 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.861 10.283 5.659 1.00 1.00 H new ATOM 736 N LYS A 52 -13.139 12.593 5.185 1.00 1.00 N ATOM 737 CA LYS A 52 -14.014 13.516 4.485 1.00 1.00 C ATOM 738 C LYS A 52 -13.870 14.912 5.097 1.00 1.00 C ATOM 739 O LYS A 52 -13.588 15.878 4.388 1.00 1.00 O ATOM 740 CB LYS A 52 -15.452 12.993 4.481 1.00 1.00 C ATOM 741 CG LYS A 52 -16.414 14.038 3.912 1.00 1.00 C ATOM 742 CD LYS A 52 -17.225 14.701 5.026 1.00 1.00 C ATOM 743 CE LYS A 52 -18.539 15.270 4.486 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.693 14.647 5.170 1.00 1.00 N ATOM 0 H LYS A 52 -13.587 12.068 5.936 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.724 13.594 3.437 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.509 12.080 3.888 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.751 12.733 5.496 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.852 14.796 3.366 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -17.089 13.566 3.198 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.435 13.973 5.810 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -16.639 15.499 5.481 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.562 16.350 4.632 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.605 15.092 3.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.577 15.044 4.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.679 13.620 5.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -19.636 14.838 6.191 1.00 1.00 H new ATOM 757 N GLY A 53 -14.069 14.973 6.405 1.00 1.00 N ATOM 758 CA GLY A 53 -13.965 16.235 7.119 1.00 1.00 C ATOM 759 C GLY A 53 -12.879 17.122 6.508 1.00 1.00 C ATOM 760 O GLY A 53 -13.113 18.299 6.238 1.00 1.00 O ATOM 0 H GLY A 53 -14.302 14.170 6.989 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.923 16.754 7.089 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.738 16.046 8.168 1.00 1.00 H new ATOM 764 N CYS A 54 -11.714 16.524 6.308 1.00 1.00 N ATOM 765 CA CYS A 54 -10.590 17.245 5.734 1.00 1.00 C ATOM 766 C CYS A 54 -11.062 17.922 4.446 1.00 1.00 C ATOM 767 O CYS A 54 -11.182 19.144 4.384 1.00 1.00 O ATOM 768 CB CYS A 54 -9.392 16.326 5.490 1.00 1.00 C ATOM 769 SG CYS A 54 -7.890 17.040 6.253 1.00 1.00 S ATOM 0 H CYS A 54 -11.524 15.548 6.533 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.244 18.003 6.437 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.589 15.339 5.909 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.238 16.193 4.419 1.00 1.00 H new ATOM 774 N HIS A 55 -11.321 17.092 3.436 1.00 1.00 N ATOM 775 CA HIS A 55 -11.781 17.553 2.131 1.00 1.00 C ATOM 776 C HIS A 55 -12.780 18.710 2.309 1.00 1.00 C ATOM 777 O HIS A 55 -12.680 19.726 1.623 1.00 1.00 O ATOM 778 CB HIS A 55 -12.336 16.354 1.347 1.00 1.00 C ATOM 779 CG HIS A 55 -11.426 15.156 1.204 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.888 13.902 1.171 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.060 15.064 1.087 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.849 13.061 1.039 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.697 13.727 0.982 1.00 1.00 N ATOM 0 H HIS A 55 -11.217 16.079 3.502 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.960 17.960 1.540 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.256 16.027 1.832 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.607 16.697 0.348 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.869 13.629 1.235 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.376 15.900 1.078 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.936 11.986 0.986 1.00 1.00 H new ATOM 791 N GLU A 56 -13.713 18.517 3.231 1.00 1.00 N ATOM 792 CA GLU A 56 -14.718 19.530 3.503 1.00 1.00 C ATOM 793 C GLU A 56 -14.050 20.853 3.881 1.00 1.00 C ATOM 794 O GLU A 56 -14.472 21.917 3.429 1.00 1.00 O ATOM 795 CB GLU A 56 -15.680 19.068 4.600 1.00 1.00 C ATOM 796 CG GLU A 56 -16.481 20.245 5.158 1.00 1.00 C ATOM 797 CD GLU A 56 -15.752 20.894 6.337 1.00 1.00 C ATOM 798 OE1 GLU A 56 -15.502 22.108 6.318 1.00 1.00 O ATOM 799 OE2 GLU A 56 -15.445 20.089 7.297 1.00 1.00 O ATOM 0 H GLU A 56 -13.793 17.674 3.799 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.302 19.687 2.596 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.361 18.318 4.199 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.119 18.592 5.404 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.642 20.985 4.374 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.464 19.901 5.479 1.00 1.00 H new ATOM 807 N GLU A 57 -13.020 20.744 4.707 1.00 1.00 N ATOM 808 CA GLU A 57 -12.289 21.919 5.151 1.00 1.00 C ATOM 809 C GLU A 57 -11.242 22.319 4.110 1.00 1.00 C ATOM 810 O GLU A 57 -11.204 23.466 3.670 1.00 1.00 O ATOM 811 CB GLU A 57 -11.642 21.678 6.517 1.00 1.00 C ATOM 812 CG GLU A 57 -12.482 22.295 7.637 1.00 1.00 C ATOM 813 CD GLU A 57 -12.423 23.823 7.589 1.00 1.00 C ATOM 814 OE1 GLU A 57 -11.589 24.434 8.275 1.00 1.00 O ATOM 815 OE2 GLU A 57 -13.284 24.377 6.804 1.00 1.00 O ATOM 0 H GLU A 57 -12.674 19.860 5.081 1.00 1.00 H new ATOM 0 HA GLU A 57 -12.995 22.742 5.260 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.532 20.607 6.688 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.640 22.107 6.530 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.517 21.964 7.545 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.120 21.944 8.603 1.00 1.00 H new ATOM 823 N MET A 58 -10.417 21.348 3.746 1.00 1.00 N ATOM 824 CA MET A 58 -9.372 21.584 2.764 1.00 1.00 C ATOM 825 C MET A 58 -9.966 22.025 1.426 1.00 1.00 C ATOM 826 O MET A 58 -9.245 22.500 0.549 1.00 1.00 O ATOM 827 CB MET A 58 -8.560 20.301 2.564 1.00 1.00 C ATOM 828 CG MET A 58 -7.058 20.586 2.633 1.00 1.00 C ATOM 829 SD MET A 58 -6.475 21.168 1.048 1.00 1.00 S ATOM 830 CE MET A 58 -4.750 21.421 1.428 1.00 1.00 C ATOM 0 H MET A 58 -10.451 20.397 4.113 1.00 1.00 H new ATOM 0 HA MET A 58 -8.726 22.380 3.133 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.831 19.572 3.328 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.806 19.858 1.599 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.856 21.333 3.401 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.520 19.682 2.918 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.232 21.787 0.541 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.658 22.153 2.230 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.305 20.478 1.745 1.00 1.00 H new ATOM 840 N LYS A 59 -11.274 21.853 1.310 1.00 1.00 N ATOM 841 CA LYS A 59 -11.973 22.228 0.092 1.00 1.00 C ATOM 842 C LYS A 59 -11.351 21.492 -1.096 1.00 1.00 C ATOM 843 O LYS A 59 -11.562 21.873 -2.246 1.00 1.00 O ATOM 844 CB LYS A 59 -11.992 23.750 -0.067 1.00 1.00 C ATOM 845 CG LYS A 59 -13.427 24.278 -0.117 1.00 1.00 C ATOM 846 CD LYS A 59 -13.531 25.498 -1.034 1.00 1.00 C ATOM 847 CE LYS A 59 -14.440 25.208 -2.230 1.00 1.00 C ATOM 848 NZ LYS A 59 -14.197 26.185 -3.314 1.00 1.00 N ATOM 0 H LYS A 59 -11.869 21.459 2.039 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.018 21.923 0.143 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.459 24.213 0.764 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.465 24.031 -0.979 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.095 23.493 -0.473 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.755 24.545 0.888 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.922 26.347 -0.473 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -12.538 25.778 -1.386 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.258 24.197 -2.596 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.484 25.252 -1.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -14.822 25.974 -4.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.393 27.145 -2.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -13.205 26.123 -3.621 1.00 1.00 H new ATOM 861 N LYS A 60 -10.596 20.452 -0.777 1.00 1.00 N ATOM 862 CA LYS A 60 -9.942 19.659 -1.804 1.00 1.00 C ATOM 863 C LYS A 60 -10.237 18.177 -1.564 1.00 1.00 C ATOM 864 O LYS A 60 -10.210 17.711 -0.427 1.00 1.00 O ATOM 865 CB LYS A 60 -8.448 19.986 -1.863 1.00 1.00 C ATOM 866 CG LYS A 60 -8.104 20.748 -3.143 1.00 1.00 C ATOM 867 CD LYS A 60 -7.129 21.892 -2.855 1.00 1.00 C ATOM 868 CE LYS A 60 -7.715 23.237 -3.290 1.00 1.00 C ATOM 869 NZ LYS A 60 -7.273 23.576 -4.661 1.00 1.00 N ATOM 0 H LYS A 60 -10.422 20.140 0.178 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.339 19.908 -2.788 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.168 20.582 -0.994 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.868 19.064 -1.817 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.664 20.065 -3.870 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.015 21.146 -3.590 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.900 21.919 -1.790 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.190 21.714 -3.379 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.804 23.195 -3.252 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.402 24.018 -2.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -7.680 24.492 -4.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.235 23.636 -4.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.593 22.839 -5.321 1.00 1.00 H new ATOM 882 N GLY A 61 -10.513 17.477 -2.655 1.00 1.00 N ATOM 883 CA GLY A 61 -10.813 16.057 -2.578 1.00 1.00 C ATOM 884 C GLY A 61 -12.300 15.798 -2.827 1.00 1.00 C ATOM 885 O GLY A 61 -13.114 16.713 -2.928 1.00 1.00 O ATOM 0 H GLY A 61 -10.535 17.867 -3.597 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.218 15.515 -3.313 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.533 15.675 -1.596 1.00 1.00 H new ATOM 889 N PRO A 62 -12.639 14.510 -2.924 1.00 1.00 N ATOM 890 CA PRO A 62 -13.987 14.037 -3.156 1.00 1.00 C ATOM 891 C PRO A 62 -14.659 13.737 -1.823 1.00 1.00 C ATOM 892 O PRO A 62 -13.974 13.307 -0.896 1.00 1.00 O ATOM 893 CB PRO A 62 -13.818 12.763 -3.982 1.00 1.00 C ATOM 894 CG PRO A 62 -12.437 12.211 -3.414 1.00 1.00 C ATOM 895 CD PRO A 62 -11.708 13.409 -2.810 1.00 1.00 C ATOM 0 HA PRO A 62 -14.611 14.768 -3.670 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.637 12.060 -3.828 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.771 12.968 -5.051 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.607 11.441 -2.662 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.845 11.756 -4.208 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.440 13.225 -1.770 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.782 13.618 -3.345 1.00 1.00 H new ATOM 903 N THR A 63 -15.962 13.967 -1.750 1.00 1.00 N ATOM 904 CA THR A 63 -16.698 13.715 -0.524 1.00 1.00 C ATOM 905 C THR A 63 -17.807 12.690 -0.767 1.00 1.00 C ATOM 906 O THR A 63 -18.308 12.076 0.174 1.00 1.00 O ATOM 907 CB THR A 63 -17.216 15.057 0.001 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.100 15.511 -1.021 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.123 16.126 0.051 1.00 1.00 C ATOM 0 H THR A 63 -16.526 14.325 -2.520 1.00 1.00 H new ATOM 0 HA THR A 63 -16.055 13.276 0.239 1.00 1.00 H new ATOM 0 HB THR A 63 -17.636 14.920 0.998 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.483 16.375 -0.762 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.543 17.058 0.430 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.320 15.795 0.710 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.726 16.288 -0.951 1.00 1.00 H new ATOM 915 N LYS A 64 -18.158 12.536 -2.035 1.00 1.00 N ATOM 916 CA LYS A 64 -19.198 11.595 -2.415 1.00 1.00 C ATOM 917 C LYS A 64 -18.808 10.192 -1.945 1.00 1.00 C ATOM 918 O LYS A 64 -17.624 9.868 -1.866 1.00 1.00 O ATOM 919 CB LYS A 64 -19.480 11.685 -3.916 1.00 1.00 C ATOM 920 CG LYS A 64 -20.380 10.536 -4.374 1.00 1.00 C ATOM 921 CD LYS A 64 -21.851 10.841 -4.081 1.00 1.00 C ATOM 922 CE LYS A 64 -22.596 9.578 -3.644 1.00 1.00 C ATOM 923 NZ LYS A 64 -24.021 9.657 -4.033 1.00 1.00 N ATOM 0 H LYS A 64 -17.741 13.047 -2.813 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.137 11.846 -1.922 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -19.957 12.638 -4.144 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -18.541 11.659 -4.468 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.246 10.368 -5.443 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.088 9.616 -3.867 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -21.921 11.597 -3.299 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.324 11.257 -4.970 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.136 8.701 -4.100 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.514 9.455 -2.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.512 8.792 -3.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -24.460 10.483 -3.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -24.094 9.752 -5.066 1.00 1.00 H new ATOM 936 N CYS A 65 -19.825 9.398 -1.647 1.00 1.00 N ATOM 937 CA CYS A 65 -19.603 8.038 -1.187 1.00 1.00 C ATOM 938 C CYS A 65 -18.986 7.238 -2.335 1.00 1.00 C ATOM 939 O CYS A 65 -17.887 6.700 -2.203 1.00 1.00 O ATOM 940 CB CYS A 65 -20.894 7.396 -0.673 1.00 1.00 C ATOM 941 SG CYS A 65 -22.174 8.582 -0.121 1.00 1.00 S ATOM 0 H CYS A 65 -20.806 9.670 -1.715 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.917 8.045 -0.340 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.313 6.773 -1.463 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.649 6.735 0.158 1.00 1.00 H new ATOM 946 N GLY A 66 -19.719 7.183 -3.438 1.00 1.00 N ATOM 947 CA GLY A 66 -19.258 6.458 -4.609 1.00 1.00 C ATOM 948 C GLY A 66 -17.795 6.786 -4.916 1.00 1.00 C ATOM 949 O GLY A 66 -17.097 5.995 -5.547 1.00 1.00 O ATOM 0 H GLY A 66 -20.630 7.630 -3.545 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.367 5.386 -4.444 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.880 6.713 -5.467 1.00 1.00 H new ATOM 953 N GLU A 67 -17.375 7.955 -4.455 1.00 1.00 N ATOM 954 CA GLU A 67 -16.007 8.398 -4.672 1.00 1.00 C ATOM 955 C GLU A 67 -15.051 7.638 -3.751 1.00 1.00 C ATOM 956 O GLU A 67 -13.915 7.356 -4.126 1.00 1.00 O ATOM 957 CB GLU A 67 -15.882 9.909 -4.468 1.00 1.00 C ATOM 958 CG GLU A 67 -16.608 10.674 -5.576 1.00 1.00 C ATOM 959 CD GLU A 67 -15.820 10.621 -6.887 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.042 9.680 -7.105 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.039 11.603 -7.695 1.00 1.00 O ATOM 0 H GLU A 67 -17.957 8.609 -3.932 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.734 8.181 -5.705 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.298 10.184 -3.499 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.829 10.192 -4.455 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.600 10.248 -5.727 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.749 11.712 -5.274 1.00 1.00 H new ATOM 969 N CYS A 68 -15.546 7.331 -2.561 1.00 1.00 N ATOM 970 CA CYS A 68 -14.750 6.610 -1.583 1.00 1.00 C ATOM 971 C CYS A 68 -15.132 5.129 -1.648 1.00 1.00 C ATOM 972 O CYS A 68 -14.272 4.262 -1.780 1.00 1.00 O ATOM 973 CB CYS A 68 -14.926 7.184 -0.175 1.00 1.00 C ATOM 974 SG CYS A 68 -13.660 8.466 0.141 1.00 1.00 S ATOM 0 H CYS A 68 -16.489 7.569 -2.252 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.692 6.721 -1.820 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.923 7.612 -0.070 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.841 6.388 0.564 1.00 1.00 H new ATOM 979 N HIS A 69 -16.438 4.881 -1.551 1.00 1.00 N ATOM 980 CA HIS A 69 -16.992 3.532 -1.593 1.00 1.00 C ATOM 981 C HIS A 69 -17.308 3.144 -3.049 1.00 1.00 C ATOM 982 O HIS A 69 -17.844 3.955 -3.803 1.00 1.00 O ATOM 983 CB HIS A 69 -18.198 3.460 -0.644 1.00 1.00 C ATOM 984 CG HIS A 69 -17.931 3.742 0.816 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.208 2.922 1.587 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.316 4.785 1.625 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.146 3.435 2.826 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.814 4.584 2.905 1.00 1.00 N ATOM 0 H HIS A 69 -17.141 5.612 -1.441 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.272 2.794 -1.240 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.950 4.167 -0.995 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.635 2.465 -0.724 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.775 2.050 1.283 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.915 5.628 1.314 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.622 2.975 3.651 1.00 1.00 H new ATOM 996 N LYS A 70 -16.964 1.911 -3.394 1.00 1.00 N ATOM 997 CA LYS A 70 -17.207 1.417 -4.738 1.00 1.00 C ATOM 998 C LYS A 70 -17.406 -0.100 -4.690 1.00 1.00 C ATOM 999 O LYS A 70 -16.530 -0.830 -4.231 1.00 1.00 O ATOM 1000 CB LYS A 70 -16.088 1.860 -5.684 1.00 1.00 C ATOM 1001 CG LYS A 70 -16.561 2.990 -6.601 1.00 1.00 C ATOM 1002 CD LYS A 70 -16.696 2.504 -8.045 1.00 1.00 C ATOM 1003 CE LYS A 70 -18.133 2.667 -8.544 1.00 1.00 C ATOM 1004 NZ LYS A 70 -18.787 1.345 -8.683 1.00 1.00 N ATOM 0 H LYS A 70 -16.520 1.241 -2.766 1.00 1.00 H new ATOM 0 HA LYS A 70 -18.123 1.848 -5.142 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.227 2.193 -5.104 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.758 1.013 -6.285 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -17.520 3.370 -6.250 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -15.854 3.819 -6.557 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -16.018 3.066 -8.687 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -16.401 1.457 -8.109 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -18.698 3.287 -7.848 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -18.135 3.183 -9.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -19.762 1.474 -9.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -18.257 0.765 -9.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -18.803 0.867 -7.760 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.564 -0.528 -5.171 1.00 1.00 N ATOM 1018 CA LYS A 71 -18.889 -1.945 -5.189 1.00 1.00 C ATOM 1019 C LYS A 71 -18.495 -2.537 -6.543 1.00 1.00 C ATOM 1020 O LYS A 71 -18.658 -3.735 -6.772 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.360 -2.161 -4.828 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.278 -1.409 -5.794 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.663 -2.058 -5.853 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.651 -1.323 -4.947 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.797 -2.199 -4.613 1.00 1.00 N ATOM 0 H LYS A 71 -19.289 0.081 -5.551 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.316 -2.477 -4.429 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.592 -3.226 -4.855 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -20.542 -1.821 -3.809 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -21.373 -0.370 -5.477 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.834 -1.399 -6.790 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -23.029 -2.049 -6.880 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.593 -3.102 -5.549 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.149 -1.006 -4.033 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -24.008 -0.421 -5.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.459 -1.685 -3.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -25.285 -2.481 -5.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.453 -3.048 -4.120 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.272 8.195 6.648 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -0.606 4.875 7.442 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.562 7.394 7.370 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.176 11.378 5.899 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.093 8.963 6.532 1.00 1.00 C HETATM 1044 NA HEC A 101 1.257 6.490 7.331 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.742 5.215 7.496 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.808 4.272 7.736 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.965 4.967 7.717 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.627 6.348 7.464 1.00 1.00 C HETATM 1049 CMA HEC A 101 4.359 4.447 7.914 1.00 1.00 C HETATM 1050 CAA HEC A 101 1.618 2.800 7.961 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.963 1.939 6.749 1.00 1.00 C HETATM 1052 CGA HEC A 101 0.817 1.000 6.401 1.00 1.00 C HETATM 1053 O1A HEC A 101 -0.165 1.498 5.809 1.00 1.00 O HETATM 1054 O2A HEC A 101 0.945 -0.199 6.733 1.00 1.00 O HETATM 1055 NB HEC A 101 2.029 9.145 6.550 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.244 8.711 7.052 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.150 9.824 7.202 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.493 10.930 6.795 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.172 10.512 6.388 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.556 9.723 7.719 1.00 1.00 C HETATM 1061 CAB HEC A 101 3.997 12.343 6.755 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.121 12.629 7.745 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.806 9.791 6.067 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.276 11.062 5.921 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.309 12.057 6.084 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.461 11.396 6.327 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.153 9.986 6.317 1.00 1.00 C HETATM 1068 CMC HEC A 101 -1.096 13.540 5.991 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.825 11.976 6.567 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.474 12.572 5.321 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.488 7.142 6.971 1.00 1.00 N HETATM 1072 C1D HEC A 101 -2.768 7.635 6.796 1.00 1.00 C HETATM 1073 C2D HEC A 101 -3.738 6.573 6.925 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.051 5.438 7.179 1.00 1.00 C HETATM 1075 C4D HEC A 101 -1.650 5.788 7.208 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.222 6.746 6.796 1.00 1.00 C HETATM 1077 CAD HEC A 101 -3.597 4.057 7.394 1.00 1.00 C HETATM 1078 CBD HEC A 101 -3.814 3.697 8.861 1.00 1.00 C HETATM 1079 CGD HEC A 101 -4.483 2.338 8.998 1.00 1.00 C HETATM 1080 O1D HEC A 101 -5.312 2.021 8.118 1.00 1.00 O HETATM 1081 O2D HEC A 101 -4.153 1.640 9.982 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.573 7.449 7.552 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.459 7.131 5.804 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -5.714 5.784 6.938 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.378 13.853 6.749 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.713 13.791 5.002 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -2.043 14.055 6.154 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.543 9.320 8.732 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 6.135 9.062 7.073 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.012 10.713 7.728 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 4.440 3.988 8.899 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 4.582 3.704 7.148 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 5.069 5.271 7.838 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -2.857 3.689 9.382 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -4.430 4.459 9.338 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.847 13.375 4.933 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.583 11.798 4.562 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.456 12.970 5.577 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 4.769 12.442 8.759 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 5.969 11.979 7.530 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 5.430 13.670 7.654 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 2.185 2.579 5.895 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.863 1.359 6.955 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.545 3.966 6.864 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -2.913 3.334 6.950 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 2.236 2.489 8.803 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 0.581 2.616 8.241 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.149 9.228 6.489 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.487 12.335 5.480 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.609 7.157 7.559 1.00 1.00 H new HETATM 0 HHA HEC A 101 -0.871 3.828 7.591 1.00 1.00 H new HETATM 0 H2D HEC A 101 -4.648 0.794 9.964 1.00 1.00 H new HETATM 0 H2A HEC A 101 0.075 -0.647 6.681 1.00 1.00 H new HETATM 1082 FE HEC A 102 -7.842 13.000 0.787 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -7.757 14.285 -2.419 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.286 10.082 -0.491 1.00 1.00 C HETATM 1085 CHC HEC A 102 -8.070 11.671 3.950 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.550 15.916 2.009 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.391 12.317 -1.073 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.299 13.012 -2.265 1.00 1.00 C HETATM 1089 C2A HEC A 102 -8.850 12.230 -3.346 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.274 11.063 -2.815 1.00 1.00 C HETATM 1091 C4A HEC A 102 -8.991 11.113 -1.399 1.00 1.00 C HETATM 1092 CMA HEC A 102 -9.922 9.908 -3.520 1.00 1.00 C HETATM 1093 CAA HEC A 102 -8.917 12.671 -4.779 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.570 12.657 -5.496 1.00 1.00 C HETATM 1095 CGA HEC A 102 -7.686 13.253 -6.892 1.00 1.00 C HETATM 1096 O1A HEC A 102 -7.171 12.606 -7.829 1.00 1.00 O HETATM 1097 O2A HEC A 102 -8.287 14.344 -6.995 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.535 11.237 1.556 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.095 10.163 0.885 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.460 9.125 1.819 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.124 9.562 3.051 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.548 10.877 2.892 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.093 7.817 1.443 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.297 8.853 4.362 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.728 7.437 4.383 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.373 13.664 2.632 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.687 13.080 3.847 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.472 14.017 4.924 1.00 1.00 C HETATM 1109 C3C HEC A 102 -7.030 15.165 4.369 1.00 1.00 C HETATM 1110 C4C HEC A 102 -6.966 14.951 2.943 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.709 13.723 6.377 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.662 16.444 5.062 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.368 16.364 5.868 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.364 14.779 -0.023 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.673 15.785 0.630 1.00 1.00 C HETATM 1116 C2D HEC A 102 -6.088 16.693 -0.328 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.421 16.244 -1.557 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.216 15.053 -1.372 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.268 17.900 0.023 1.00 1.00 C HETATM 1120 CAD HEC A 102 -6.057 16.836 -2.887 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.324 15.871 -3.815 1.00 1.00 C HETATM 1122 CGD HEC A 102 -5.372 16.357 -5.257 1.00 1.00 C HETATM 1123 O1D HEC A 102 -4.302 16.777 -5.750 1.00 1.00 O HETATM 1124 O2D HEC A 102 -6.476 16.299 -5.839 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -5.866 18.583 0.627 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.389 17.591 0.588 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -4.953 18.404 -0.891 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.756 13.459 6.529 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -7.077 12.891 6.688 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.467 14.604 6.971 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.046 8.003 0.947 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.432 7.274 0.767 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.261 7.223 2.341 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -10.849 10.241 -3.988 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.247 9.524 -4.285 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.142 9.119 -2.800 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -4.287 15.771 -3.496 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.775 14.881 -3.746 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.465 15.598 6.638 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.541 16.109 5.205 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.172 17.328 6.338 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.226 6.834 3.624 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.658 7.472 4.176 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.893 6.993 5.365 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -6.840 13.221 -4.916 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -7.201 11.634 -5.564 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -6.966 17.180 -3.381 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.431 17.713 -2.724 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.610 12.023 -5.316 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.328 13.680 -4.819 1.00 1.00 H new HETATM 0 HHD HEC A 102 -6.099 16.831 2.393 1.00 1.00 H new HETATM 0 HHC HEC A 102 -7.977 11.198 4.928 1.00 1.00 H new HETATM 0 HHB HEC A 102 -9.693 9.154 -0.893 1.00 1.00 H new HETATM 0 HHA HEC A 102 -7.751 14.716 -3.420 1.00 1.00 H new HETATM 0 H2D HEC A 102 -6.446 16.846 -6.652 1.00 1.00 H new HETATM 0 H2A HEC A 102 -7.732 15.060 -6.620 1.00 1.00 H new HETATM 1125 FE HEC A 103 -18.060 5.782 4.490 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -17.171 3.269 6.550 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.397 4.895 4.754 1.00 1.00 C HETATM 1128 CHC HEC A 103 -19.019 8.297 2.206 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.767 6.576 3.902 1.00 1.00 C HETATM 1130 NA HEC A 103 -19.068 4.357 5.408 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.528 3.445 6.299 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.577 2.689 6.941 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.750 3.136 6.446 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.439 4.175 5.491 1.00 1.00 C HETATM 1135 CMA HEC A 103 -22.136 2.674 6.790 1.00 1.00 C HETATM 1136 CAA HEC A 103 -19.357 1.613 7.964 1.00 1.00 C HETATM 1137 CBA HEC A 103 -18.452 0.480 7.489 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.884 -0.852 8.085 1.00 1.00 C HETATM 1139 O1A HEC A 103 -18.259 -1.253 9.091 1.00 1.00 O HETATM 1140 O2A HEC A 103 -19.829 -1.445 7.524 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.840 6.434 3.618 1.00 1.00 N HETATM 1142 C1B HEC A 103 -21.109 5.976 3.929 1.00 1.00 C HETATM 1143 C2B HEC A 103 -22.107 6.784 3.271 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.451 7.728 2.563 1.00 1.00 C HETATM 1145 C4B HEC A 103 -20.039 7.514 2.777 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.590 6.577 3.382 1.00 1.00 C HETATM 1147 CAB HEC A 103 -22.036 8.813 1.706 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.285 9.463 2.292 1.00 1.00 C HETATM 1149 NC HEC A 103 -17.099 7.269 3.428 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.644 8.237 2.603 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.597 8.950 1.908 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.423 8.419 2.308 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.729 7.373 3.254 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.823 10.067 0.931 1.00 1.00 C HETATM 1155 CAC HEC A 103 -14.038 8.810 1.878 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.735 10.297 2.040 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.336 5.094 5.096 1.00 1.00 N HETATM 1158 C1D HEC A 103 -15.064 5.513 4.748 1.00 1.00 C HETATM 1159 C2D HEC A 103 -14.071 4.685 5.390 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.734 3.766 6.124 1.00 1.00 C HETATM 1161 C4D HEC A 103 -16.145 4.018 5.944 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.587 4.851 5.238 1.00 1.00 C HETATM 1163 CAD HEC A 103 -14.158 2.676 6.980 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.238 1.718 6.227 1.00 1.00 C HETATM 1165 CGD HEC A 103 -11.828 1.753 6.797 1.00 1.00 C HETATM 1166 O1D HEC A 103 -11.254 2.864 6.827 1.00 1.00 O HETATM 1167 O2D HEC A 103 -11.348 0.668 7.194 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.314 4.738 4.189 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.294 5.842 5.584 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -12.074 4.094 5.831 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.425 9.705 0.098 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.345 10.885 1.428 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.863 10.423 0.557 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.847 5.582 3.018 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.893 6.671 4.425 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -24.108 7.327 2.785 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -22.234 1.614 6.557 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -22.318 2.830 7.853 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.863 3.242 6.210 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -13.634 0.704 6.289 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -13.214 1.987 5.171 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.434 10.878 1.439 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -13.837 10.577 3.088 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.717 10.499 1.708 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -24.059 8.708 2.426 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -23.044 9.911 3.256 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.646 10.236 1.613 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -18.479 0.421 6.401 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.421 0.691 7.772 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -13.602 3.128 7.801 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.975 2.106 7.424 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.923 2.060 8.859 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -20.322 1.197 8.252 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.716 6.808 3.729 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.292 8.992 1.412 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.438 4.583 4.836 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.883 2.498 7.265 1.00 1.00 H new HETATM 0 H2D HEC A 103 -10.984 0.782 8.097 1.00 1.00 H new HETATM 0 H2A HEC A 103 -20.414 -1.843 8.202 1.00 1.00 H new