USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 518 hydrogens (32 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 36 HIS HE2 : A 36 HIS NE2 : A 93 HECFE :(H bumps) USER MOD NoAdj-H: A 93 HEC HAC : A 93 HEC CAC : A 35 CYS SG :(H bumps) USER MOD NoAdj-H: A 93 HEC HAB : A 93 HEC CAB : A 32 CYS SG :(H bumps) USER MOD Set 1.1: A 55 TYR OH : rot -150:sc= 1.23 USER MOD Set 1.2: A 93 HEC O2A : rot 166:sc= 1.04 USER MOD Single : A 29 GLN : amide:sc= 0.716 K(o=0.72,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.323 K(o=0.32,f=-0.52) USER MOD Single : A 68 GLN : amide:sc= 1.21 K(o=1.2,f=-6.2!) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.41 (180deg=-0.526) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HEC O2D : rot 166:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 22 -13.491 4.884 0.530 1.00 0.00 N ATOM 2 CA VAL A 22 -12.603 4.982 -0.617 1.00 0.00 C ATOM 3 C VAL A 22 -12.185 3.546 -0.851 1.00 0.00 C ATOM 4 O VAL A 22 -11.805 2.871 0.099 1.00 0.00 O ATOM 5 CB VAL A 22 -11.396 5.913 -0.412 1.00 0.00 C ATOM 6 CG1 VAL A 22 -10.793 6.232 -1.786 1.00 0.00 C ATOM 7 CG2 VAL A 22 -11.784 7.233 0.267 1.00 0.00 C ATOM 0 HA VAL A 22 -13.104 5.439 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.684 5.402 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.934 6.892 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.473 5.307 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.542 6.724 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.897 7.854 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.513 7.759 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.218 7.025 1.245 1.00 0.00 H new ATOM 19 N ASP A 23 -12.372 3.086 -2.074 1.00 0.00 N ATOM 20 CA ASP A 23 -12.160 1.702 -2.450 1.00 0.00 C ATOM 21 C ASP A 23 -10.660 1.468 -2.376 1.00 0.00 C ATOM 22 O ASP A 23 -9.874 2.038 -3.133 1.00 0.00 O ATOM 23 CB ASP A 23 -12.709 1.454 -3.859 1.00 0.00 C ATOM 24 CG ASP A 23 -12.350 0.081 -4.433 1.00 0.00 C ATOM 25 OD1 ASP A 23 -11.324 -0.502 -4.011 1.00 0.00 O ATOM 26 OD2 ASP A 23 -13.109 -0.345 -5.325 1.00 0.00 O ATOM 0 H ASP A 23 -12.681 3.675 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.682 1.011 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.794 1.556 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.329 2.227 -4.527 1.00 0.00 H new ATOM 31 N ALA A 24 -10.279 0.669 -1.386 1.00 0.00 N ATOM 32 CA ALA A 24 -8.902 0.409 -1.065 1.00 0.00 C ATOM 33 C ALA A 24 -8.151 -0.172 -2.251 1.00 0.00 C ATOM 34 O ALA A 24 -7.022 0.234 -2.536 1.00 0.00 O ATOM 35 CB ALA A 24 -8.850 -0.582 0.079 1.00 0.00 C ATOM 0 H ALA A 24 -10.938 0.181 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.429 1.352 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.811 -0.789 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.360 -0.163 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.342 -1.508 -0.219 1.00 0.00 H new ATOM 41 N GLU A 25 -8.757 -1.148 -2.929 1.00 0.00 N ATOM 42 CA GLU A 25 -8.057 -1.782 -4.018 1.00 0.00 C ATOM 43 C GLU A 25 -7.950 -0.765 -5.141 1.00 0.00 C ATOM 44 O GLU A 25 -6.863 -0.605 -5.675 1.00 0.00 O ATOM 45 CB GLU A 25 -8.640 -3.152 -4.389 1.00 0.00 C ATOM 46 CG GLU A 25 -9.514 -3.182 -5.640 1.00 0.00 C ATOM 47 CD GLU A 25 -9.905 -4.610 -6.004 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.868 -5.465 -5.089 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.198 -4.829 -7.198 1.00 0.00 O ATOM 0 H GLU A 25 -9.697 -1.499 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.043 -2.058 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.816 -3.852 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.229 -3.516 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.412 -2.587 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.978 -2.725 -6.472 1.00 0.00 H new ATOM 56 N ALA A 26 -9.018 -0.017 -5.443 1.00 0.00 N ATOM 57 CA ALA A 26 -8.970 1.034 -6.454 1.00 0.00 C ATOM 58 C ALA A 26 -7.840 2.022 -6.172 1.00 0.00 C ATOM 59 O ALA A 26 -7.054 2.305 -7.072 1.00 0.00 O ATOM 60 CB ALA A 26 -10.297 1.777 -6.569 1.00 0.00 C ATOM 0 H ALA A 26 -9.929 -0.125 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.776 0.542 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.216 2.550 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.084 1.075 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.541 2.237 -5.611 1.00 0.00 H new ATOM 66 N VAL A 27 -7.740 2.533 -4.935 1.00 0.00 N ATOM 67 CA VAL A 27 -6.595 3.338 -4.520 1.00 0.00 C ATOM 68 C VAL A 27 -5.338 2.605 -4.941 1.00 0.00 C ATOM 69 O VAL A 27 -4.559 3.159 -5.709 1.00 0.00 O ATOM 70 CB VAL A 27 -6.596 3.640 -3.007 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.304 4.350 -2.568 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.767 4.548 -2.622 1.00 0.00 C ATOM 0 H VAL A 27 -8.443 2.399 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.647 4.312 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.681 2.675 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.342 4.546 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.446 3.715 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.206 5.293 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.740 4.742 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.690 5.491 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.707 4.058 -2.878 1.00 0.00 H new ATOM 82 N VAL A 28 -5.095 1.376 -4.487 1.00 0.00 N ATOM 83 CA VAL A 28 -3.760 0.866 -4.673 1.00 0.00 C ATOM 84 C VAL A 28 -3.464 0.600 -6.157 1.00 0.00 C ATOM 85 O VAL A 28 -2.404 0.978 -6.670 1.00 0.00 O ATOM 86 CB VAL A 28 -3.587 -0.272 -3.675 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.261 -1.010 -3.813 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.698 0.344 -2.270 1.00 0.00 C ATOM 0 H VAL A 28 -5.761 0.760 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.973 1.584 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.358 -1.019 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.209 -1.806 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.186 -1.440 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.438 -0.312 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.580 -0.438 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.918 1.094 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.675 0.813 -2.154 1.00 0.00 H new ATOM 98 N GLN A 29 -4.486 0.096 -6.848 1.00 0.00 N ATOM 99 CA GLN A 29 -4.630 -0.071 -8.286 1.00 0.00 C ATOM 100 C GLN A 29 -4.572 1.248 -9.077 1.00 0.00 C ATOM 101 O GLN A 29 -4.658 1.205 -10.301 1.00 0.00 O ATOM 102 CB GLN A 29 -5.932 -0.848 -8.565 1.00 0.00 C ATOM 103 CG GLN A 29 -5.874 -2.299 -8.061 1.00 0.00 C ATOM 104 CD GLN A 29 -4.859 -3.121 -8.849 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.887 -3.149 -10.075 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.929 -3.768 -8.157 1.00 0.00 N ATOM 0 H GLN A 29 -5.317 -0.238 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.771 -0.639 -8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.767 -0.335 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.129 -0.847 -9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.610 -2.308 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.860 -2.756 -8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.931 -3.727 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.213 -4.306 -8.644 1.00 0.00 H new ATOM 115 N GLN A 30 -4.398 2.408 -8.432 1.00 0.00 N ATOM 116 CA GLN A 30 -4.163 3.672 -9.130 1.00 0.00 C ATOM 117 C GLN A 30 -3.110 4.587 -8.487 1.00 0.00 C ATOM 118 O GLN A 30 -2.688 5.552 -9.121 1.00 0.00 O ATOM 119 CB GLN A 30 -5.496 4.408 -9.333 1.00 0.00 C ATOM 120 CG GLN A 30 -5.815 4.495 -10.829 1.00 0.00 C ATOM 121 CD GLN A 30 -7.074 5.313 -11.083 1.00 0.00 C ATOM 122 OE1 GLN A 30 -8.155 4.770 -11.280 1.00 0.00 O ATOM 123 NE2 GLN A 30 -6.943 6.636 -11.091 1.00 0.00 N ATOM 0 H GLN A 30 -4.416 2.494 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.730 3.406 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.296 3.883 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.439 5.409 -8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.974 4.946 -11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.944 3.491 -11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.030 7.059 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.755 7.228 -11.264 1.00 0.00 H new ATOM 132 N LYS A 31 -2.696 4.326 -7.246 1.00 0.00 N ATOM 133 CA LYS A 31 -1.790 5.164 -6.477 1.00 0.00 C ATOM 134 C LYS A 31 -0.453 4.449 -6.242 1.00 0.00 C ATOM 135 O LYS A 31 0.559 5.123 -6.064 1.00 0.00 O ATOM 136 CB LYS A 31 -2.481 5.578 -5.158 1.00 0.00 C ATOM 137 CG LYS A 31 -2.679 7.091 -5.010 1.00 0.00 C ATOM 138 CD LYS A 31 -3.741 7.613 -5.984 1.00 0.00 C ATOM 139 CE LYS A 31 -4.138 9.037 -5.576 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.070 9.648 -6.544 1.00 0.00 N ATOM 0 H LYS A 31 -2.996 3.495 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.557 6.070 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.452 5.087 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.888 5.215 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.976 7.322 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.734 7.603 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.352 7.608 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.615 6.961 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.601 9.016 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.243 9.654 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.314 10.610 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.619 9.692 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.935 9.074 -6.603 1.00 0.00 H new ATOM 154 N CYS A 32 -0.433 3.108 -6.230 1.00 0.00 N ATOM 155 CA CYS A 32 0.750 2.338 -5.849 1.00 0.00 C ATOM 156 C CYS A 32 1.301 1.524 -7.015 1.00 0.00 C ATOM 157 O CYS A 32 2.519 1.465 -7.195 1.00 0.00 O ATOM 158 CB CYS A 32 0.437 1.416 -4.673 1.00 0.00 C ATOM 159 SG CYS A 32 -0.812 2.093 -3.536 1.00 0.00 S ATOM 0 H CYS A 32 -1.236 2.533 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 32 1.515 3.054 -5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.087 0.457 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.355 1.222 -4.119 1.00 0.00 H new ATOM 164 N ILE A 33 0.413 0.916 -7.816 1.00 0.00 N ATOM 165 CA ILE A 33 0.813 0.122 -8.977 1.00 0.00 C ATOM 166 C ILE A 33 1.812 0.873 -9.859 1.00 0.00 C ATOM 167 O ILE A 33 2.669 0.252 -10.483 1.00 0.00 O ATOM 168 CB ILE A 33 -0.398 -0.330 -9.808 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.250 0.840 -10.334 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.243 -1.328 -9.010 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.070 0.427 -11.560 1.00 0.00 C ATOM 0 H ILE A 33 -0.596 0.963 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 33 1.305 -0.769 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.007 -0.826 -10.696 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.919 1.187 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.601 1.677 -10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.098 -1.641 -9.609 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.637 -2.199 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.596 -0.855 -8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.660 1.276 -11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.398 0.104 -12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.736 -0.393 -11.293 1.00 0.00 H new ATOM 183 N SER A 34 1.706 2.207 -9.868 1.00 0.00 N ATOM 184 CA SER A 34 2.626 3.134 -10.505 1.00 0.00 C ATOM 185 C SER A 34 4.085 2.682 -10.348 1.00 0.00 C ATOM 186 O SER A 34 4.847 2.748 -11.311 1.00 0.00 O ATOM 187 CB SER A 34 2.388 4.535 -9.919 1.00 0.00 C ATOM 188 OG SER A 34 3.045 5.524 -10.685 1.00 0.00 O ATOM 0 H SER A 34 0.933 2.686 -9.405 1.00 0.00 H new ATOM 0 HA SER A 34 2.437 3.158 -11.578 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.319 4.744 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.747 4.569 -8.891 1.00 0.00 H new ATOM 0 HG SER A 34 2.877 6.406 -10.293 1.00 0.00 H new ATOM 194 N CYS A 35 4.461 2.206 -9.151 1.00 0.00 N ATOM 195 CA CYS A 35 5.795 1.675 -8.883 1.00 0.00 C ATOM 196 C CYS A 35 5.732 0.189 -8.526 1.00 0.00 C ATOM 197 O CYS A 35 6.556 -0.591 -8.992 1.00 0.00 O ATOM 198 CB CYS A 35 6.506 2.487 -7.790 1.00 0.00 C ATOM 199 SG CYS A 35 6.172 4.260 -8.003 1.00 0.00 S ATOM 0 H CYS A 35 3.841 2.181 -8.342 1.00 0.00 H new ATOM 0 HA CYS A 35 6.384 1.770 -9.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.166 2.162 -6.807 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.580 2.305 -7.833 1.00 0.00 H new ATOM 204 N HIS A 36 4.768 -0.223 -7.702 1.00 0.00 N ATOM 205 CA HIS A 36 4.684 -1.603 -7.237 1.00 0.00 C ATOM 206 C HIS A 36 4.242 -2.585 -8.333 1.00 0.00 C ATOM 207 O HIS A 36 4.416 -3.794 -8.167 1.00 0.00 O ATOM 208 CB HIS A 36 3.810 -1.658 -5.980 1.00 0.00 C ATOM 209 CG HIS A 36 4.491 -1.070 -4.766 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.393 -1.732 -3.960 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.331 0.194 -4.257 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.746 -0.886 -2.978 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.136 0.301 -3.117 1.00 0.00 N ATOM 0 H HIS A 36 4.032 0.385 -7.343 1.00 0.00 H new ATOM 0 HA HIS A 36 5.686 -1.942 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.881 -1.120 -6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.542 -2.694 -5.774 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.730 -2.687 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.697 0.968 -4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.432 -1.130 -2.180 1.00 0.00 H new ATOM 221 N GLY A 37 3.732 -2.094 -9.467 1.00 0.00 N ATOM 222 CA GLY A 37 3.278 -2.920 -10.578 1.00 0.00 C ATOM 223 C GLY A 37 1.827 -3.344 -10.366 1.00 0.00 C ATOM 224 O GLY A 37 1.377 -3.420 -9.228 1.00 0.00 O ATOM 0 H GLY A 37 3.623 -1.094 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.369 -2.366 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.912 -3.802 -10.667 1.00 0.00 H new ATOM 228 N GLY A 38 1.093 -3.605 -11.456 1.00 0.00 N ATOM 229 CA GLY A 38 -0.339 -3.911 -11.458 1.00 0.00 C ATOM 230 C GLY A 38 -0.767 -4.839 -10.319 1.00 0.00 C ATOM 231 O GLY A 38 -1.580 -4.470 -9.474 1.00 0.00 O ATOM 0 H GLY A 38 1.497 -3.608 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.901 -2.980 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.603 -4.372 -12.410 1.00 0.00 H new ATOM 235 N ASP A 39 -0.206 -6.047 -10.284 1.00 0.00 N ATOM 236 CA ASP A 39 -0.547 -7.066 -9.299 1.00 0.00 C ATOM 237 C ASP A 39 0.101 -6.804 -7.931 1.00 0.00 C ATOM 238 O ASP A 39 -0.125 -7.570 -6.995 1.00 0.00 O ATOM 239 CB ASP A 39 -0.130 -8.434 -9.851 1.00 0.00 C ATOM 240 CG ASP A 39 -0.852 -8.766 -11.146 1.00 0.00 C ATOM 241 OD1 ASP A 39 -0.461 -8.156 -12.166 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.774 -9.608 -11.089 1.00 0.00 O ATOM 0 H ASP A 39 0.507 -6.347 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.624 -7.040 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.946 -8.444 -10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.341 -9.205 -9.110 1.00 0.00 H new ATOM 247 N LEU A 40 0.910 -5.745 -7.809 1.00 0.00 N ATOM 248 CA LEU A 40 1.647 -5.353 -6.606 1.00 0.00 C ATOM 249 C LEU A 40 2.727 -6.380 -6.266 1.00 0.00 C ATOM 250 O LEU A 40 3.163 -6.500 -5.118 1.00 0.00 O ATOM 251 CB LEU A 40 0.686 -5.032 -5.456 1.00 0.00 C ATOM 252 CG LEU A 40 -0.301 -3.939 -5.906 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.736 -4.309 -5.532 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.100 -2.591 -5.315 1.00 0.00 C ATOM 0 H LEU A 40 1.075 -5.107 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 40 2.186 -4.425 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.142 -5.929 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.245 -4.696 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.260 -3.859 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.413 -3.520 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.008 -5.246 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.812 -4.424 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.606 -1.827 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.091 -2.654 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.102 -2.328 -5.655 1.00 0.00 H new ATOM 266 N THR A 41 3.178 -7.068 -7.317 1.00 0.00 N ATOM 267 CA THR A 41 4.203 -8.089 -7.358 1.00 0.00 C ATOM 268 C THR A 41 5.607 -7.478 -7.340 1.00 0.00 C ATOM 269 O THR A 41 6.578 -8.216 -7.198 1.00 0.00 O ATOM 270 CB THR A 41 3.961 -8.881 -8.651 1.00 0.00 C ATOM 271 OG1 THR A 41 3.563 -7.975 -9.670 1.00 0.00 O ATOM 272 CG2 THR A 41 2.837 -9.900 -8.445 1.00 0.00 C ATOM 0 H THR A 41 2.791 -6.901 -8.246 1.00 0.00 H new ATOM 0 HA THR A 41 4.147 -8.733 -6.480 1.00 0.00 H new ATOM 0 HB THR A 41 4.877 -9.403 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.407 -8.467 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.675 -10.455 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.114 -10.592 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.920 -9.379 -8.169 1.00 0.00 H new ATOM 280 N GLY A 42 5.724 -6.151 -7.455 1.00 0.00 N ATOM 281 CA GLY A 42 6.961 -5.437 -7.207 1.00 0.00 C ATOM 282 C GLY A 42 7.723 -5.161 -8.498 1.00 0.00 C ATOM 283 O GLY A 42 8.628 -5.913 -8.855 1.00 0.00 O ATOM 0 H GLY A 42 4.950 -5.545 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.742 -4.494 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.588 -6.020 -6.532 1.00 0.00 H new ATOM 287 N ALA A 43 7.361 -4.082 -9.199 1.00 0.00 N ATOM 288 CA ALA A 43 8.060 -3.645 -10.404 1.00 0.00 C ATOM 289 C ALA A 43 9.243 -2.735 -10.041 1.00 0.00 C ATOM 290 O ALA A 43 10.374 -3.199 -9.929 1.00 0.00 O ATOM 291 CB ALA A 43 7.063 -2.995 -11.372 1.00 0.00 C ATOM 0 H ALA A 43 6.572 -3.488 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 43 8.489 -4.504 -10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.587 -2.670 -12.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.294 -3.719 -11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.598 -2.134 -10.892 1.00 0.00 H new ATOM 297 N SER A 44 8.987 -1.441 -9.844 1.00 0.00 N ATOM 298 CA SER A 44 9.976 -0.433 -9.463 1.00 0.00 C ATOM 299 C SER A 44 10.118 -0.318 -7.939 1.00 0.00 C ATOM 300 O SER A 44 10.827 0.556 -7.448 1.00 0.00 O ATOM 301 CB SER A 44 9.567 0.922 -10.050 1.00 0.00 C ATOM 302 OG SER A 44 9.366 0.813 -11.447 1.00 0.00 O ATOM 0 H SER A 44 8.050 -1.052 -9.950 1.00 0.00 H new ATOM 0 HA SER A 44 10.943 -0.740 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.653 1.272 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.339 1.663 -9.844 1.00 0.00 H new ATOM 0 HG SER A 44 9.104 1.685 -11.809 1.00 0.00 H new ATOM 308 N ALA A 45 9.387 -1.146 -7.195 1.00 0.00 N ATOM 309 CA ALA A 45 9.300 -1.170 -5.746 1.00 0.00 C ATOM 310 C ALA A 45 9.151 -2.646 -5.372 1.00 0.00 C ATOM 311 O ALA A 45 8.823 -3.437 -6.255 1.00 0.00 O ATOM 312 CB ALA A 45 8.075 -0.341 -5.358 1.00 0.00 C ATOM 0 H ALA A 45 8.802 -1.864 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 45 10.164 -0.751 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.971 -0.332 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.197 0.680 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.183 -0.780 -5.805 1.00 0.00 H new ATOM 318 N PRO A 46 9.406 -3.057 -4.121 1.00 0.00 N ATOM 319 CA PRO A 46 9.264 -4.449 -3.725 1.00 0.00 C ATOM 320 C PRO A 46 7.806 -4.902 -3.826 1.00 0.00 C ATOM 321 O PRO A 46 6.887 -4.084 -3.925 1.00 0.00 O ATOM 322 CB PRO A 46 9.795 -4.528 -2.289 1.00 0.00 C ATOM 323 CG PRO A 46 9.585 -3.109 -1.766 1.00 0.00 C ATOM 324 CD PRO A 46 9.845 -2.249 -3.001 1.00 0.00 C ATOM 0 HA PRO A 46 9.822 -5.117 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.248 -5.261 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.846 -4.816 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.576 -2.966 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.274 -2.871 -0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.293 -1.310 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.901 -1.994 -3.089 1.00 0.00 H new ATOM 332 N ALA A 47 7.602 -6.221 -3.804 1.00 0.00 N ATOM 333 CA ALA A 47 6.276 -6.814 -3.822 1.00 0.00 C ATOM 334 C ALA A 47 5.564 -6.439 -2.530 1.00 0.00 C ATOM 335 O ALA A 47 6.086 -6.720 -1.452 1.00 0.00 O ATOM 336 CB ALA A 47 6.390 -8.336 -3.944 1.00 0.00 C ATOM 0 H ALA A 47 8.359 -6.904 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 47 5.709 -6.443 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.393 -8.776 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.910 -8.589 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.948 -8.728 -3.094 1.00 0.00 H new ATOM 342 N ILE A 48 4.395 -5.797 -2.627 1.00 0.00 N ATOM 343 CA ILE A 48 3.590 -5.488 -1.453 1.00 0.00 C ATOM 344 C ILE A 48 2.215 -6.145 -1.515 1.00 0.00 C ATOM 345 O ILE A 48 1.475 -6.052 -0.548 1.00 0.00 O ATOM 346 CB ILE A 48 3.613 -3.991 -1.070 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.949 -3.018 -2.049 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.066 -3.547 -0.875 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.422 -3.012 -1.936 1.00 0.00 C ATOM 0 H ILE A 48 3.990 -5.484 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 48 4.070 -5.956 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 48 3.014 -3.939 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.326 -2.012 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.232 -3.284 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.091 -2.491 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.523 -4.136 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.620 -3.697 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.007 -2.304 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.038 -4.010 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.133 -2.718 -0.927 1.00 0.00 H new ATOM 361 N ASP A 49 1.890 -6.905 -2.563 1.00 0.00 N ATOM 362 CA ASP A 49 0.746 -7.817 -2.541 1.00 0.00 C ATOM 363 C ASP A 49 0.628 -8.570 -1.198 1.00 0.00 C ATOM 364 O ASP A 49 -0.447 -8.679 -0.616 1.00 0.00 O ATOM 365 CB ASP A 49 0.847 -8.787 -3.730 1.00 0.00 C ATOM 366 CG ASP A 49 1.934 -9.847 -3.566 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.995 -9.502 -2.998 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.667 -10.997 -3.975 1.00 0.00 O ATOM 0 H ASP A 49 2.407 -6.906 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.168 -7.230 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.114 -9.283 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.042 -8.216 -4.638 1.00 0.00 H new ATOM 373 N LYS A 50 1.753 -9.060 -0.686 1.00 0.00 N ATOM 374 CA LYS A 50 1.876 -9.859 0.527 1.00 0.00 C ATOM 375 C LYS A 50 2.377 -9.036 1.708 1.00 0.00 C ATOM 376 O LYS A 50 2.668 -9.585 2.773 1.00 0.00 O ATOM 377 CB LYS A 50 2.709 -11.113 0.236 1.00 0.00 C ATOM 378 CG LYS A 50 1.783 -12.267 -0.188 1.00 0.00 C ATOM 379 CD LYS A 50 2.280 -13.004 -1.435 1.00 0.00 C ATOM 380 CE LYS A 50 2.095 -14.518 -1.295 1.00 0.00 C ATOM 381 NZ LYS A 50 2.126 -15.178 -2.615 1.00 0.00 N ATOM 0 H LYS A 50 2.655 -8.900 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 50 0.888 -10.198 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.432 -10.906 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.277 -11.397 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.694 -12.976 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.785 -11.873 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.738 -12.648 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.334 -12.777 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.882 -14.927 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.146 -14.728 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.999 -16.203 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.360 -14.802 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.041 -14.995 -3.073 1.00 0.00 H new ATOM 395 N ALA A 51 2.514 -7.721 1.544 1.00 0.00 N ATOM 396 CA ALA A 51 2.823 -6.855 2.664 1.00 0.00 C ATOM 397 C ALA A 51 1.846 -7.067 3.826 1.00 0.00 C ATOM 398 O ALA A 51 2.283 -6.990 4.965 1.00 0.00 O ATOM 399 CB ALA A 51 2.877 -5.407 2.202 1.00 0.00 C ATOM 0 H ALA A 51 2.415 -7.241 0.649 1.00 0.00 H new ATOM 0 HA ALA A 51 3.809 -7.116 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.110 -4.763 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.649 -5.297 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.911 -5.122 1.784 1.00 0.00 H new ATOM 405 N GLY A 52 0.565 -7.394 3.595 1.00 0.00 N ATOM 406 CA GLY A 52 -0.309 -7.771 4.695 1.00 0.00 C ATOM 407 C GLY A 52 0.159 -9.017 5.452 1.00 0.00 C ATOM 408 O GLY A 52 -0.112 -9.153 6.642 1.00 0.00 O ATOM 0 H GLY A 52 0.127 -7.403 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.380 -6.937 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.312 -7.948 4.307 1.00 0.00 H new ATOM 412 N ALA A 53 0.809 -9.963 4.768 1.00 0.00 N ATOM 413 CA ALA A 53 1.363 -11.147 5.415 1.00 0.00 C ATOM 414 C ALA A 53 2.587 -10.759 6.239 1.00 0.00 C ATOM 415 O ALA A 53 2.732 -11.168 7.388 1.00 0.00 O ATOM 416 CB ALA A 53 1.752 -12.211 4.377 1.00 0.00 C ATOM 0 H ALA A 53 0.963 -9.927 3.760 1.00 0.00 H new ATOM 0 HA ALA A 53 0.600 -11.569 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.162 -13.083 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.869 -12.504 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.501 -11.801 3.699 1.00 0.00 H new ATOM 422 N ASN A 54 3.496 -10.012 5.609 1.00 0.00 N ATOM 423 CA ASN A 54 4.815 -9.724 6.164 1.00 0.00 C ATOM 424 C ASN A 54 4.735 -8.675 7.269 1.00 0.00 C ATOM 425 O ASN A 54 5.426 -8.777 8.279 1.00 0.00 O ATOM 426 CB ASN A 54 5.762 -9.235 5.062 1.00 0.00 C ATOM 427 CG ASN A 54 6.134 -10.339 4.079 1.00 0.00 C ATOM 428 OD1 ASN A 54 7.183 -10.961 4.202 1.00 0.00 O ATOM 429 ND2 ASN A 54 5.287 -10.603 3.086 1.00 0.00 N ATOM 0 H ASN A 54 3.334 -9.589 4.695 1.00 0.00 H new ATOM 0 HA ASN A 54 5.202 -10.649 6.592 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.291 -8.415 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.669 -8.837 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.506 -11.335 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.419 -10.074 3.002 1.00 0.00 H new ATOM 436 N TYR A 55 3.929 -7.642 7.035 1.00 0.00 N ATOM 437 CA TYR A 55 3.776 -6.468 7.885 1.00 0.00 C ATOM 438 C TYR A 55 2.318 -6.423 8.357 1.00 0.00 C ATOM 439 O TYR A 55 1.535 -7.298 8.000 1.00 0.00 O ATOM 440 CB TYR A 55 4.172 -5.207 7.095 1.00 0.00 C ATOM 441 CG TYR A 55 5.398 -5.337 6.199 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.583 -5.924 6.680 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.341 -4.893 4.865 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.664 -6.146 5.809 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.421 -5.117 3.992 1.00 0.00 C ATOM 446 CZ TYR A 55 7.589 -5.736 4.468 1.00 0.00 C ATOM 447 OH TYR A 55 8.630 -5.997 3.630 1.00 0.00 O ATOM 0 H TYR A 55 3.336 -7.601 6.206 1.00 0.00 H new ATOM 0 HA TYR A 55 4.428 -6.515 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.325 -4.909 6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.349 -4.399 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.662 -6.204 7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.462 -4.377 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.556 -6.634 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.352 -4.814 2.958 1.00 0.00 H new ATOM 0 HH TYR A 55 8.678 -5.301 2.942 1.00 0.00 H new ATOM 457 N SER A 56 1.935 -5.427 9.161 1.00 0.00 N ATOM 458 CA SER A 56 0.562 -5.266 9.640 1.00 0.00 C ATOM 459 C SER A 56 0.005 -3.921 9.184 1.00 0.00 C ATOM 460 O SER A 56 0.771 -3.051 8.767 1.00 0.00 O ATOM 461 CB SER A 56 0.531 -5.415 11.163 1.00 0.00 C ATOM 462 OG SER A 56 0.879 -6.746 11.488 1.00 0.00 O ATOM 0 H SER A 56 2.573 -4.707 9.499 1.00 0.00 H new ATOM 0 HA SER A 56 -0.075 -6.042 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.228 -4.717 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.461 -5.178 11.547 1.00 0.00 H new ATOM 0 HG SER A 56 0.866 -6.859 12.461 1.00 0.00 H new ATOM 468 N GLU A 57 -1.326 -3.763 9.239 1.00 0.00 N ATOM 469 CA GLU A 57 -1.997 -2.551 8.795 1.00 0.00 C ATOM 470 C GLU A 57 -1.307 -1.314 9.375 1.00 0.00 C ATOM 471 O GLU A 57 -0.881 -0.475 8.594 1.00 0.00 O ATOM 472 CB GLU A 57 -3.518 -2.623 9.016 1.00 0.00 C ATOM 473 CG GLU A 57 -3.959 -2.942 10.450 1.00 0.00 C ATOM 474 CD GLU A 57 -4.267 -1.670 11.222 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.310 -1.058 10.910 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.429 -1.336 12.083 1.00 0.00 O ATOM 0 H GLU A 57 -1.960 -4.478 9.595 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.897 -2.457 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.956 -1.669 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.930 -3.381 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.842 -3.581 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.174 -3.500 10.960 1.00 0.00 H new ATOM 483 N GLU A 58 -1.101 -1.243 10.691 1.00 0.00 N ATOM 484 CA GLU A 58 -0.251 -0.255 11.347 1.00 0.00 C ATOM 485 C GLU A 58 1.000 0.117 10.528 1.00 0.00 C ATOM 486 O GLU A 58 1.149 1.270 10.122 1.00 0.00 O ATOM 487 CB GLU A 58 0.076 -0.716 12.783 1.00 0.00 C ATOM 488 CG GLU A 58 0.480 -2.194 12.931 1.00 0.00 C ATOM 489 CD GLU A 58 0.763 -2.546 14.387 1.00 0.00 C ATOM 490 OE1 GLU A 58 1.813 -2.090 14.885 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.070 -3.270 14.972 1.00 0.00 O ATOM 0 H GLU A 58 -1.535 -1.892 11.347 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.811 0.678 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.885 -0.096 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.795 -0.531 13.412 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.317 -2.831 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.365 -2.394 12.327 1.00 0.00 H new ATOM 498 N GLU A 59 1.877 -0.851 10.243 1.00 0.00 N ATOM 499 CA GLU A 59 3.116 -0.624 9.509 1.00 0.00 C ATOM 500 C GLU A 59 2.802 -0.034 8.135 1.00 0.00 C ATOM 501 O GLU A 59 3.315 1.013 7.746 1.00 0.00 O ATOM 502 CB GLU A 59 3.877 -1.950 9.315 1.00 0.00 C ATOM 503 CG GLU A 59 4.237 -2.700 10.607 1.00 0.00 C ATOM 504 CD GLU A 59 5.566 -2.233 11.191 1.00 0.00 C ATOM 505 OE1 GLU A 59 5.708 -1.008 11.386 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.428 -3.113 11.397 1.00 0.00 O ATOM 0 H GLU A 59 1.741 -1.823 10.521 1.00 0.00 H new ATOM 0 HA GLU A 59 3.733 0.068 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.273 -2.608 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.796 -1.745 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.447 -2.553 11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.287 -3.769 10.403 1.00 0.00 H new ATOM 513 N ILE A 60 1.965 -0.739 7.370 1.00 0.00 N ATOM 514 CA ILE A 60 1.710 -0.406 5.974 1.00 0.00 C ATOM 515 C ILE A 60 1.132 1.011 5.918 1.00 0.00 C ATOM 516 O ILE A 60 1.592 1.839 5.139 1.00 0.00 O ATOM 517 CB ILE A 60 0.786 -1.453 5.320 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.366 -2.869 5.471 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.552 -1.178 3.825 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.380 -3.958 5.052 1.00 0.00 C ATOM 0 H ILE A 60 1.449 -1.553 7.703 1.00 0.00 H new ATOM 0 HA ILE A 60 2.636 -0.427 5.400 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.169 -1.380 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.271 -2.953 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.658 -3.029 6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.105 -1.944 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.089 -0.199 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.506 -1.196 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.843 -4.937 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.515 -3.896 5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.107 -3.819 4.006 1.00 0.00 H new ATOM 532 N LEU A 61 0.150 1.288 6.774 1.00 0.00 N ATOM 533 CA LEU A 61 -0.469 2.587 6.971 1.00 0.00 C ATOM 534 C LEU A 61 0.598 3.641 7.196 1.00 0.00 C ATOM 535 O LEU A 61 0.621 4.649 6.486 1.00 0.00 O ATOM 536 CB LEU A 61 -1.425 2.540 8.169 1.00 0.00 C ATOM 537 CG LEU A 61 -2.289 3.802 8.299 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.311 3.894 7.168 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.042 3.789 9.632 1.00 0.00 C ATOM 0 H LEU A 61 -0.253 0.571 7.378 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.038 2.846 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.075 1.670 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.846 2.407 9.083 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.621 4.662 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.907 4.799 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.792 3.927 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.965 3.022 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.652 4.689 9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.684 2.910 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.327 3.759 10.454 1.00 0.00 H new ATOM 551 N ASP A 62 1.478 3.395 8.173 1.00 0.00 N ATOM 552 CA ASP A 62 2.559 4.322 8.454 1.00 0.00 C ATOM 553 C ASP A 62 3.323 4.558 7.155 1.00 0.00 C ATOM 554 O ASP A 62 3.485 5.698 6.741 1.00 0.00 O ATOM 555 CB ASP A 62 3.479 3.819 9.585 1.00 0.00 C ATOM 556 CG ASP A 62 3.656 4.818 10.731 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.569 6.040 10.478 1.00 0.00 O ATOM 558 OD2 ASP A 62 3.892 4.342 11.862 1.00 0.00 O ATOM 0 H ASP A 62 1.457 2.569 8.771 1.00 0.00 H new ATOM 0 HA ASP A 62 2.149 5.264 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.072 2.890 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.458 3.584 9.167 1.00 0.00 H new ATOM 563 N ILE A 63 3.711 3.498 6.445 1.00 0.00 N ATOM 564 CA ILE A 63 4.478 3.656 5.212 1.00 0.00 C ATOM 565 C ILE A 63 3.704 4.499 4.191 1.00 0.00 C ATOM 566 O ILE A 63 4.270 5.385 3.563 1.00 0.00 O ATOM 567 CB ILE A 63 4.915 2.288 4.635 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.254 1.784 5.219 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.046 2.363 3.109 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.082 0.593 6.162 1.00 0.00 C ATOM 0 H ILE A 63 3.509 2.531 6.700 1.00 0.00 H new ATOM 0 HA ILE A 63 5.393 4.198 5.450 1.00 0.00 H new ATOM 0 HB ILE A 63 4.135 1.582 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.917 1.501 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.740 2.599 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.354 1.392 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.085 2.639 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.792 3.112 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.057 0.284 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.443 0.880 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.623 -0.235 5.622 1.00 0.00 H new ATOM 582 N ILE A 64 2.416 4.239 3.991 1.00 0.00 N ATOM 583 CA ILE A 64 1.613 4.965 3.016 1.00 0.00 C ATOM 584 C ILE A 64 1.607 6.454 3.362 1.00 0.00 C ATOM 585 O ILE A 64 1.861 7.310 2.510 1.00 0.00 O ATOM 586 CB ILE A 64 0.205 4.358 2.992 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.295 2.928 2.443 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.759 5.182 2.130 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.812 2.068 3.041 1.00 0.00 C ATOM 0 H ILE A 64 1.901 3.520 4.500 1.00 0.00 H new ATOM 0 HA ILE A 64 2.035 4.874 2.015 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.187 4.357 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.210 2.941 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.268 2.499 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.745 4.717 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.831 6.193 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.388 5.222 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.740 1.055 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.707 2.042 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.782 2.491 2.780 1.00 0.00 H new ATOM 601 N LEU A 65 1.327 6.753 4.629 1.00 0.00 N ATOM 602 CA LEU A 65 1.262 8.113 5.130 1.00 0.00 C ATOM 603 C LEU A 65 2.645 8.792 5.119 1.00 0.00 C ATOM 604 O LEU A 65 2.733 9.985 4.844 1.00 0.00 O ATOM 605 CB LEU A 65 0.652 8.085 6.538 1.00 0.00 C ATOM 606 CG LEU A 65 -0.821 7.619 6.599 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.200 7.399 8.067 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.759 8.672 6.011 1.00 0.00 C ATOM 0 H LEU A 65 1.138 6.046 5.340 1.00 0.00 H new ATOM 0 HA LEU A 65 0.629 8.711 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.253 7.427 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.720 9.084 6.968 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.920 6.701 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.237 7.070 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.551 6.638 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.082 8.333 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.787 8.316 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.665 9.599 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.495 8.853 4.969 1.00 0.00 H new ATOM 620 N ASN A 66 3.714 8.047 5.424 1.00 0.00 N ATOM 621 CA ASN A 66 5.065 8.565 5.665 1.00 0.00 C ATOM 622 C ASN A 66 5.916 8.513 4.401 1.00 0.00 C ATOM 623 O ASN A 66 6.473 9.524 3.983 1.00 0.00 O ATOM 624 CB ASN A 66 5.799 7.732 6.732 1.00 0.00 C ATOM 625 CG ASN A 66 5.363 8.024 8.165 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.133 8.560 8.956 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.147 7.630 8.505 1.00 0.00 N ATOM 0 H ASN A 66 3.660 7.032 5.513 1.00 0.00 H new ATOM 0 HA ASN A 66 4.939 9.595 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.639 6.674 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.870 7.915 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.815 7.768 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.542 7.189 7.813 1.00 0.00 H new ATOM 634 N GLY A 67 6.068 7.308 3.850 1.00 0.00 N ATOM 635 CA GLY A 67 7.003 6.933 2.805 1.00 0.00 C ATOM 636 C GLY A 67 7.742 5.654 3.209 1.00 0.00 C ATOM 637 O GLY A 67 7.409 5.011 4.202 1.00 0.00 O ATOM 0 H GLY A 67 5.497 6.517 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.471 6.776 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.717 7.739 2.636 1.00 0.00 H new ATOM 641 N GLN A 68 8.759 5.305 2.425 1.00 0.00 N ATOM 642 CA GLN A 68 9.762 4.265 2.640 1.00 0.00 C ATOM 643 C GLN A 68 10.940 4.728 1.768 1.00 0.00 C ATOM 644 O GLN A 68 10.716 5.573 0.911 1.00 0.00 O ATOM 645 CB GLN A 68 9.242 2.869 2.200 1.00 0.00 C ATOM 646 CG GLN A 68 10.283 1.745 2.275 1.00 0.00 C ATOM 647 CD GLN A 68 10.962 1.511 3.615 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.572 2.420 4.171 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.935 0.271 4.093 1.00 0.00 N ATOM 0 H GLN A 68 8.916 5.788 1.541 1.00 0.00 H new ATOM 0 HA GLN A 68 10.030 4.145 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.391 2.600 2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.876 2.939 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.798 0.816 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.057 1.953 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.415 -0.455 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.434 0.045 4.954 1.00 0.00 H new ATOM 658 N GLY A 69 12.156 4.204 1.957 1.00 0.00 N ATOM 659 CA GLY A 69 13.361 4.491 1.162 1.00 0.00 C ATOM 660 C GLY A 69 13.172 5.391 -0.078 1.00 0.00 C ATOM 661 O GLY A 69 13.289 6.610 0.035 1.00 0.00 O ATOM 0 H GLY A 69 12.338 3.535 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.096 4.961 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.786 3.543 0.833 1.00 0.00 H new ATOM 665 N GLY A 70 12.886 4.818 -1.256 1.00 0.00 N ATOM 666 CA GLY A 70 12.665 5.567 -2.493 1.00 0.00 C ATOM 667 C GLY A 70 11.191 5.893 -2.777 1.00 0.00 C ATOM 668 O GLY A 70 10.846 6.274 -3.894 1.00 0.00 O ATOM 0 H GLY A 70 12.801 3.808 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.229 6.499 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.066 4.993 -3.329 1.00 0.00 H new ATOM 672 N MET A 71 10.309 5.736 -1.788 1.00 0.00 N ATOM 673 CA MET A 71 8.871 5.948 -1.893 1.00 0.00 C ATOM 674 C MET A 71 8.527 7.333 -1.335 1.00 0.00 C ATOM 675 O MET A 71 8.869 7.609 -0.188 1.00 0.00 O ATOM 676 CB MET A 71 8.188 4.864 -1.060 1.00 0.00 C ATOM 677 CG MET A 71 6.664 4.922 -1.075 1.00 0.00 C ATOM 678 SD MET A 71 5.916 3.485 -0.266 1.00 0.00 S ATOM 679 CE MET A 71 4.333 4.230 0.210 1.00 0.00 C ATOM 0 H MET A 71 10.594 5.445 -0.853 1.00 0.00 H new ATOM 0 HA MET A 71 8.538 5.896 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.506 3.888 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.532 4.945 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.332 5.832 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.315 4.979 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.696 3.471 0.665 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.509 5.033 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.841 4.634 -0.674 1.00 0.00 H new ATOM 689 N PRO A 72 7.830 8.198 -2.091 1.00 0.00 N ATOM 690 CA PRO A 72 7.615 9.584 -1.704 1.00 0.00 C ATOM 691 C PRO A 72 6.772 9.709 -0.436 1.00 0.00 C ATOM 692 O PRO A 72 7.060 10.545 0.416 1.00 0.00 O ATOM 693 CB PRO A 72 6.973 10.267 -2.917 1.00 0.00 C ATOM 694 CG PRO A 72 6.322 9.115 -3.680 1.00 0.00 C ATOM 695 CD PRO A 72 7.269 7.948 -3.406 1.00 0.00 C ATOM 0 HA PRO A 72 8.555 10.070 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.238 11.012 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.716 10.781 -3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.314 8.910 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.243 9.330 -4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.736 6.997 -3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.052 7.894 -4.162 1.00 0.00 H new ATOM 703 N GLY A 73 5.733 8.881 -0.313 1.00 0.00 N ATOM 704 CA GLY A 73 4.883 8.858 0.860 1.00 0.00 C ATOM 705 C GLY A 73 3.832 9.961 0.830 1.00 0.00 C ATOM 706 O GLY A 73 3.885 10.883 0.017 1.00 0.00 O ATOM 0 H GLY A 73 5.464 8.209 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.389 7.889 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.497 8.968 1.754 1.00 0.00 H new ATOM 710 N GLY A 74 2.814 9.811 1.678 1.00 0.00 N ATOM 711 CA GLY A 74 1.654 10.694 1.697 1.00 0.00 C ATOM 712 C GLY A 74 0.864 10.589 0.391 1.00 0.00 C ATOM 713 O GLY A 74 0.081 11.477 0.056 1.00 0.00 O ATOM 0 H GLY A 74 2.774 9.067 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.010 10.436 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.979 11.724 1.848 1.00 0.00 H new ATOM 717 N ILE A 75 1.067 9.486 -0.336 1.00 0.00 N ATOM 718 CA ILE A 75 0.471 9.210 -1.632 1.00 0.00 C ATOM 719 C ILE A 75 -1.036 9.024 -1.474 1.00 0.00 C ATOM 720 O ILE A 75 -1.799 9.362 -2.377 1.00 0.00 O ATOM 721 CB ILE A 75 1.139 7.950 -2.203 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.608 8.222 -2.567 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.411 7.425 -3.446 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.429 6.951 -2.349 1.00 0.00 C ATOM 0 H ILE A 75 1.678 8.734 -0.018 1.00 0.00 H new ATOM 0 HA ILE A 75 0.628 10.040 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 75 1.086 7.192 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.683 8.543 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.002 9.032 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.918 6.534 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.618 7.176 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.415 8.192 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.471 7.142 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.363 6.650 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.039 6.153 -2.981 1.00 0.00 H new ATOM 736 N ALA A 76 -1.446 8.476 -0.327 1.00 0.00 N ATOM 737 CA ALA A 76 -2.830 8.357 0.075 1.00 0.00 C ATOM 738 C ALA A 76 -2.888 8.765 1.543 1.00 0.00 C ATOM 739 O ALA A 76 -1.901 8.548 2.248 1.00 0.00 O ATOM 740 CB ALA A 76 -3.293 6.912 -0.124 1.00 0.00 C ATOM 0 H ALA A 76 -0.796 8.095 0.361 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.489 8.992 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.336 6.819 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.194 6.640 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.679 6.246 0.483 1.00 0.00 H new ATOM 746 N LYS A 77 -3.976 9.392 2.006 1.00 0.00 N ATOM 747 CA LYS A 77 -4.110 9.742 3.413 1.00 0.00 C ATOM 748 C LYS A 77 -5.541 9.690 3.954 1.00 0.00 C ATOM 749 O LYS A 77 -6.513 9.659 3.202 1.00 0.00 O ATOM 750 CB LYS A 77 -3.387 11.057 3.723 1.00 0.00 C ATOM 751 CG LYS A 77 -3.210 12.035 2.557 1.00 0.00 C ATOM 752 CD LYS A 77 -2.442 13.265 3.073 1.00 0.00 C ATOM 753 CE LYS A 77 -1.695 13.999 1.953 1.00 0.00 C ATOM 754 NZ LYS A 77 -2.605 14.530 0.921 1.00 0.00 N ATOM 0 H LYS A 77 -4.769 9.664 1.425 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.607 8.951 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.934 11.568 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.400 10.818 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.664 11.560 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.180 12.332 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.140 13.952 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.730 12.952 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.119 14.819 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.982 13.317 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.052 15.017 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.137 13.747 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.269 15.202 1.356 1.00 0.00 H new ATOM 768 N GLY A 78 -5.653 9.652 5.287 1.00 0.00 N ATOM 769 CA GLY A 78 -6.915 9.454 5.984 1.00 0.00 C ATOM 770 C GLY A 78 -7.580 8.171 5.493 1.00 0.00 C ATOM 771 O GLY A 78 -6.884 7.198 5.199 1.00 0.00 O ATOM 0 H GLY A 78 -4.855 9.760 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.743 9.397 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.574 10.305 5.812 1.00 0.00 H new ATOM 775 N ALA A 79 -8.908 8.212 5.321 1.00 0.00 N ATOM 776 CA ALA A 79 -9.735 7.112 4.835 1.00 0.00 C ATOM 777 C ALA A 79 -9.078 6.352 3.683 1.00 0.00 C ATOM 778 O ALA A 79 -9.186 5.134 3.604 1.00 0.00 O ATOM 779 CB ALA A 79 -11.100 7.651 4.399 1.00 0.00 C ATOM 0 H ALA A 79 -9.453 9.049 5.527 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.857 6.405 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.717 6.829 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.592 8.126 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.965 8.382 3.602 1.00 0.00 H new ATOM 785 N GLU A 80 -8.406 7.078 2.788 1.00 0.00 N ATOM 786 CA GLU A 80 -7.653 6.521 1.679 1.00 0.00 C ATOM 787 C GLU A 80 -6.616 5.511 2.201 1.00 0.00 C ATOM 788 O GLU A 80 -6.674 4.326 1.866 1.00 0.00 O ATOM 789 CB GLU A 80 -7.015 7.707 0.942 1.00 0.00 C ATOM 790 CG GLU A 80 -6.772 7.540 -0.560 1.00 0.00 C ATOM 791 CD GLU A 80 -6.042 8.760 -1.118 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.672 9.632 -0.293 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.849 8.790 -2.354 1.00 0.00 O ATOM 0 H GLU A 80 -8.374 8.097 2.821 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.287 5.966 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.652 8.579 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.059 7.928 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.183 6.641 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.723 7.409 -1.077 1.00 0.00 H new ATOM 800 N ALA A 81 -5.673 5.960 3.040 1.00 0.00 N ATOM 801 CA ALA A 81 -4.611 5.121 3.561 1.00 0.00 C ATOM 802 C ALA A 81 -5.169 4.077 4.526 1.00 0.00 C ATOM 803 O ALA A 81 -4.701 2.943 4.530 1.00 0.00 O ATOM 804 CB ALA A 81 -3.556 5.994 4.237 1.00 0.00 C ATOM 0 H ALA A 81 -5.634 6.924 3.372 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.142 4.583 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.758 5.363 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.142 6.693 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.014 6.550 5.055 1.00 0.00 H new ATOM 810 N GLU A 82 -6.162 4.445 5.341 1.00 0.00 N ATOM 811 CA GLU A 82 -6.832 3.516 6.244 1.00 0.00 C ATOM 812 C GLU A 82 -7.375 2.334 5.439 1.00 0.00 C ATOM 813 O GLU A 82 -7.063 1.175 5.717 1.00 0.00 O ATOM 814 CB GLU A 82 -7.954 4.250 6.985 1.00 0.00 C ATOM 815 CG GLU A 82 -7.425 5.368 7.897 1.00 0.00 C ATOM 816 CD GLU A 82 -8.533 6.339 8.286 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.649 5.847 8.557 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.257 7.559 8.266 1.00 0.00 O ATOM 0 H GLU A 82 -6.522 5.398 5.390 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.130 3.132 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.647 4.675 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.519 3.535 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.990 4.931 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.628 5.909 7.387 1.00 0.00 H new ATOM 825 N ALA A 83 -8.169 2.652 4.410 1.00 0.00 N ATOM 826 CA ALA A 83 -8.728 1.675 3.497 1.00 0.00 C ATOM 827 C ALA A 83 -7.607 0.828 2.902 1.00 0.00 C ATOM 828 O ALA A 83 -7.679 -0.396 2.999 1.00 0.00 O ATOM 829 CB ALA A 83 -9.574 2.372 2.427 1.00 0.00 C ATOM 0 H ALA A 83 -8.439 3.612 4.194 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.395 1.001 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.988 1.627 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.387 2.919 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.950 3.067 1.866 1.00 0.00 H new ATOM 835 N VAL A 84 -6.569 1.465 2.331 1.00 0.00 N ATOM 836 CA VAL A 84 -5.401 0.736 1.846 1.00 0.00 C ATOM 837 C VAL A 84 -4.933 -0.269 2.894 1.00 0.00 C ATOM 838 O VAL A 84 -4.951 -1.460 2.630 1.00 0.00 O ATOM 839 CB VAL A 84 -4.217 1.645 1.462 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.985 0.769 1.189 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.468 2.517 0.230 1.00 0.00 C ATOM 0 H VAL A 84 -6.522 2.475 2.198 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.725 0.228 0.938 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.068 2.322 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.141 1.403 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.737 0.200 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.201 0.081 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.586 3.125 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.674 1.880 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.323 3.167 0.413 1.00 0.00 H new ATOM 851 N ALA A 85 -4.451 0.206 4.042 1.00 0.00 N ATOM 852 CA ALA A 85 -3.776 -0.607 5.040 1.00 0.00 C ATOM 853 C ALA A 85 -4.655 -1.780 5.461 1.00 0.00 C ATOM 854 O ALA A 85 -4.186 -2.918 5.491 1.00 0.00 O ATOM 855 CB ALA A 85 -3.424 0.271 6.234 1.00 0.00 C ATOM 0 H ALA A 85 -4.523 1.189 4.305 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.860 -1.021 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.917 -0.329 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.767 1.079 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.336 0.692 6.657 1.00 0.00 H new ATOM 861 N ALA A 86 -5.929 -1.508 5.758 1.00 0.00 N ATOM 862 CA ALA A 86 -6.886 -2.546 6.109 1.00 0.00 C ATOM 863 C ALA A 86 -6.973 -3.589 4.994 1.00 0.00 C ATOM 864 O ALA A 86 -6.744 -4.773 5.232 1.00 0.00 O ATOM 865 CB ALA A 86 -8.252 -1.918 6.393 1.00 0.00 C ATOM 0 H ALA A 86 -6.319 -0.565 5.760 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.550 -3.055 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.965 -2.700 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.164 -1.215 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.602 -1.391 5.505 1.00 0.00 H new ATOM 871 N TRP A 87 -7.281 -3.150 3.772 1.00 0.00 N ATOM 872 CA TRP A 87 -7.383 -4.018 2.606 1.00 0.00 C ATOM 873 C TRP A 87 -6.094 -4.816 2.404 1.00 0.00 C ATOM 874 O TRP A 87 -6.142 -6.004 2.124 1.00 0.00 O ATOM 875 CB TRP A 87 -7.707 -3.151 1.389 1.00 0.00 C ATOM 876 CG TRP A 87 -7.544 -3.764 0.031 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.463 -4.472 -0.666 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.417 -3.619 -0.876 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.876 -4.996 -1.803 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.613 -4.487 -1.984 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.236 -2.848 -0.901 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.615 -4.653 -2.952 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.455 -2.812 -2.075 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.832 -3.541 -3.205 1.00 0.00 C ATOM 0 H TRP A 87 -7.468 -2.169 3.566 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.180 -4.747 2.751 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.740 -2.814 1.483 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.077 -2.263 1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.495 -4.607 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.322 -5.671 -2.425 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.932 -2.290 -0.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.466 -5.590 -3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.556 -2.214 -2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.534 -3.257 -4.204 1.00 0.00 H new ATOM 895 N LEU A 88 -4.937 -4.176 2.552 1.00 0.00 N ATOM 896 CA LEU A 88 -3.636 -4.789 2.361 1.00 0.00 C ATOM 897 C LEU A 88 -3.428 -5.886 3.399 1.00 0.00 C ATOM 898 O LEU A 88 -3.131 -7.025 3.050 1.00 0.00 O ATOM 899 CB LEU A 88 -2.536 -3.720 2.411 1.00 0.00 C ATOM 900 CG LEU A 88 -1.622 -3.739 1.187 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.723 -4.959 1.145 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.270 -3.506 -0.159 1.00 0.00 C ATOM 0 H LEU A 88 -4.883 -3.192 2.815 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.585 -5.254 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.998 -2.736 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.935 -3.868 3.308 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.016 -2.848 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.096 -4.919 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.091 -4.976 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.335 -5.861 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.511 -3.545 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.018 -4.278 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.749 -2.527 -0.168 1.00 0.00 H new ATOM 914 N ALA A 89 -3.636 -5.561 4.675 1.00 0.00 N ATOM 915 CA ALA A 89 -3.618 -6.536 5.755 1.00 0.00 C ATOM 916 C ALA A 89 -4.602 -7.670 5.483 1.00 0.00 C ATOM 917 O ALA A 89 -4.293 -8.824 5.751 1.00 0.00 O ATOM 918 CB ALA A 89 -3.902 -5.856 7.091 1.00 0.00 C ATOM 0 H ALA A 89 -3.822 -4.607 4.986 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.622 -6.976 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.885 -6.599 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.141 -5.100 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.883 -5.383 7.057 1.00 0.00 H new ATOM 924 N GLU A 90 -5.768 -7.365 4.919 1.00 0.00 N ATOM 925 CA GLU A 90 -6.775 -8.360 4.580 1.00 0.00 C ATOM 926 C GLU A 90 -6.336 -9.186 3.360 1.00 0.00 C ATOM 927 O GLU A 90 -6.817 -10.297 3.158 1.00 0.00 O ATOM 928 CB GLU A 90 -8.088 -7.614 4.294 1.00 0.00 C ATOM 929 CG GLU A 90 -9.319 -8.524 4.156 1.00 0.00 C ATOM 930 CD GLU A 90 -10.232 -8.040 3.037 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.813 -8.176 1.868 1.00 0.00 O ATOM 932 OE2 GLU A 90 -11.322 -7.529 3.371 1.00 0.00 O ATOM 0 H GLU A 90 -6.040 -6.411 4.683 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.911 -9.058 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.268 -6.899 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.972 -7.039 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.999 -9.546 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.869 -8.543 5.097 1.00 0.00 H new ATOM 939 N LYS A 91 -5.405 -8.678 2.548 1.00 0.00 N ATOM 940 CA LYS A 91 -5.147 -9.213 1.223 1.00 0.00 C ATOM 941 C LYS A 91 -4.467 -10.588 1.304 1.00 0.00 C ATOM 942 O LYS A 91 -4.539 -11.398 0.382 1.00 0.00 O ATOM 943 CB LYS A 91 -4.277 -8.169 0.506 1.00 0.00 C ATOM 944 CG LYS A 91 -4.460 -8.158 -1.005 1.00 0.00 C ATOM 945 CD LYS A 91 -3.812 -9.419 -1.577 1.00 0.00 C ATOM 946 CE LYS A 91 -2.745 -9.063 -2.582 1.00 0.00 C ATOM 947 NZ LYS A 91 -3.314 -8.601 -3.868 1.00 0.00 N ATOM 0 H LYS A 91 -4.813 -7.885 2.797 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.070 -9.383 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.512 -7.180 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.229 -8.362 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.520 -8.127 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.003 -7.267 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.376 -10.008 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.571 -10.041 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.106 -8.282 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.112 -9.932 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.542 -8.368 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.903 -9.354 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.897 -7.755 -3.706 1.00 0.00 H new ATOM 961 N LYS A 92 -3.747 -10.780 2.400 1.00 0.00 N ATOM 962 CA LYS A 92 -2.587 -11.629 2.561 1.00 0.00 C ATOM 963 C LYS A 92 -2.904 -13.128 2.557 1.00 0.00 C ATOM 964 O LYS A 92 -4.016 -13.494 2.996 1.00 0.00 O ATOM 965 CB LYS A 92 -2.005 -11.188 3.891 1.00 0.00 C ATOM 966 CG LYS A 92 -2.946 -11.570 5.068 1.00 0.00 C ATOM 967 CD LYS A 92 -2.526 -11.083 6.461 1.00 0.00 C ATOM 968 CE LYS A 92 -3.665 -11.313 7.469 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.303 -10.855 8.826 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.989 -13.888 2.168 1.00 0.00 O ATOM 0 H LYS A 92 -3.984 -10.303 3.270 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.900 -11.518 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.029 -11.652 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.847 -10.110 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.939 -11.176 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.033 -12.656 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.631 -11.614 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.272 -10.024 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.558 -10.785 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.914 -12.374 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.098 -11.028 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.466 -11.377 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.090 -9.837 8.804 1.00 0.00 H new TER 984 LYS A 92 HETATM 985 FE HEC A 93 5.322 1.811 -1.870 1.00 0.00 FE HETATM 986 CHA HEC A 93 7.816 0.367 -0.034 1.00 0.00 C HETATM 987 CHB HEC A 93 2.950 0.378 0.177 1.00 0.00 C HETATM 988 CHC HEC A 93 3.008 3.684 -3.473 1.00 0.00 C HETATM 989 CHD HEC A 93 7.773 2.929 -4.139 1.00 0.00 C HETATM 990 NA HEC A 93 5.374 0.626 -0.196 1.00 0.00 N HETATM 991 C1A HEC A 93 6.507 0.176 0.367 1.00 0.00 C HETATM 992 C2A HEC A 93 6.158 -0.652 1.485 1.00 0.00 C HETATM 993 C3A HEC A 93 4.783 -0.701 1.549 1.00 0.00 C HETATM 994 C4A HEC A 93 4.289 0.128 0.469 1.00 0.00 C HETATM 995 CMA HEC A 93 3.951 -1.408 2.588 1.00 0.00 C HETATM 996 CAA HEC A 93 7.190 -1.343 2.336 1.00 0.00 C HETATM 997 CBA HEC A 93 7.929 -2.427 1.562 1.00 0.00 C HETATM 998 CGA HEC A 93 9.307 -2.690 2.152 1.00 0.00 C HETATM 999 O1A HEC A 93 10.030 -1.693 2.382 1.00 0.00 O HETATM 1000 O2A HEC A 93 9.600 -3.883 2.370 1.00 0.00 O HETATM 1001 NB HEC A 93 3.359 1.980 -1.696 1.00 0.00 N HETATM 1002 C1B HEC A 93 2.579 1.284 -0.816 1.00 0.00 C HETATM 1003 C2B HEC A 93 1.216 1.621 -1.103 1.00 0.00 C HETATM 1004 C3B HEC A 93 1.238 2.669 -2.001 1.00 0.00 C HETATM 1005 C4B HEC A 93 2.601 2.824 -2.446 1.00 0.00 C HETATM 1006 CMB HEC A 93 0.034 0.816 -0.623 1.00 0.00 C HETATM 1007 CAB HEC A 93 0.045 3.362 -2.600 1.00 0.00 C HETATM 1008 CBB HEC A 93 -0.866 4.047 -1.573 1.00 0.00 C HETATM 1009 NC HEC A 93 5.392 3.121 -3.491 1.00 0.00 N HETATM 1010 C1C HEC A 93 4.309 3.773 -3.948 1.00 0.00 C HETATM 1011 C2C HEC A 93 4.711 4.572 -5.082 1.00 0.00 C HETATM 1012 C3C HEC A 93 6.055 4.343 -5.291 1.00 0.00 C HETATM 1013 C4C HEC A 93 6.481 3.417 -4.266 1.00 0.00 C HETATM 1014 CMC HEC A 93 3.775 5.379 -5.948 1.00 0.00 C HETATM 1015 CAC HEC A 93 6.895 4.841 -6.455 1.00 0.00 C HETATM 1016 CBC HEC A 93 7.143 6.350 -6.485 1.00 0.00 C HETATM 1017 ND HEC A 93 7.421 1.658 -2.057 1.00 0.00 N HETATM 1018 C1D HEC A 93 8.173 2.132 -3.081 1.00 0.00 C HETATM 1019 C2D HEC A 93 9.525 1.666 -2.888 1.00 0.00 C HETATM 1020 C3D HEC A 93 9.570 1.054 -1.652 1.00 0.00 C HETATM 1021 C4D HEC A 93 8.206 1.007 -1.184 1.00 0.00 C HETATM 1022 CMD HEC A 93 10.608 1.755 -3.933 1.00 0.00 C HETATM 1023 CAD HEC A 93 10.755 0.447 -0.914 1.00 0.00 C HETATM 1024 CBD HEC A 93 12.022 1.302 -0.788 1.00 0.00 C HETATM 1025 CGD HEC A 93 12.956 1.264 -1.979 1.00 0.00 C HETATM 1026 O1D HEC A 93 13.448 2.362 -2.318 1.00 0.00 O HETATM 1027 O2D HEC A 93 13.172 0.153 -2.507 1.00 0.00 O HETATM 0 HMD3 HEC A 93 10.306 1.196 -4.819 1.00 0.00 H new HETATM 0 HMD2 HEC A 93 10.770 2.799 -4.201 1.00 0.00 H new HETATM 0 HMD1 HEC A 93 11.532 1.334 -3.536 1.00 0.00 H new HETATM 0 HMC3 HEC A 93 3.040 4.716 -6.405 1.00 0.00 H new HETATM 0 HMC2 HEC A 93 3.263 6.122 -5.336 1.00 0.00 H new HETATM 0 HMC1 HEC A 93 4.345 5.883 -6.729 1.00 0.00 H new HETATM 0 HMB3 HEC A 93 0.102 -0.199 -1.015 1.00 0.00 H new HETATM 0 HMB2 HEC A 93 0.033 0.785 0.467 1.00 0.00 H new HETATM 0 HMB1 HEC A 93 -0.888 1.279 -0.973 1.00 0.00 H new HETATM 0 HMA3 HEC A 93 4.182 -2.473 2.576 1.00 0.00 H new HETATM 0 HMA2 HEC A 93 4.175 -1.000 3.573 1.00 0.00 H new HETATM 0 HMA1 HEC A 93 2.893 -1.263 2.368 1.00 0.00 H new HETATM 0 HBD2 HEC A 93 11.725 2.336 -0.614 1.00 0.00 H new HETATM 0 HBD1 HEC A 93 12.573 0.976 0.094 1.00 0.00 H new HETATM 0 HBC3 HEC A 93 6.189 6.874 -6.546 1.00 0.00 H new HETATM 0 HBC2 HEC A 93 7.665 6.651 -5.577 1.00 0.00 H new HETATM 0 HBC1 HEC A 93 7.752 6.601 -7.354 1.00 0.00 H new HETATM 0 HBB3 HEC A 93 -1.247 3.304 -0.872 1.00 0.00 H new HETATM 0 HBB2 HEC A 93 -0.298 4.802 -1.029 1.00 0.00 H new HETATM 0 HBB1 HEC A 93 -1.701 4.522 -2.087 1.00 0.00 H new HETATM 0 HBA2 HEC A 93 7.345 -3.347 1.574 1.00 0.00 H new HETATM 0 HBA1 HEC A 93 8.029 -2.127 0.519 1.00 0.00 H new HETATM 0 HAD2 HEC A 93 10.426 0.182 0.091 1.00 0.00 H new HETATM 0 HAD1 HEC A 93 11.024 -0.482 -1.416 1.00 0.00 H new HETATM 0 HAA2 HEC A 93 7.906 -0.609 2.707 1.00 0.00 H new HETATM 0 HAA1 HEC A 93 6.706 -1.784 3.207 1.00 0.00 H new HETATM 0 HHD HEC A 93 8.505 3.184 -4.906 1.00 0.00 H new HETATM 0 HHC HEC A 93 2.254 4.325 -3.929 1.00 0.00 H new HETATM 0 HHB HEC A 93 2.175 -0.146 0.737 1.00 0.00 H new HETATM 0 HHA HEC A 93 8.601 -0.022 0.615 1.00 0.00 H new HETATM 0 H2D HEC A 93 13.598 0.283 -3.380 1.00 0.00 H new HETATM 0 H2A HEC A 93 10.565 -3.960 2.525 1.00 0.00 H new