USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 883 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 180:sc= 0.628 USER MOD Set 1.2: A 78 THR OG1 : rot 176:sc= 0.99 USER MOD Set 2.1: A 63 ASN : amide:sc= 1.84 K(o=3.1,f=-1.8) USER MOD Set 2.2: A 74 TYR OH : rot 131:sc= 1.29 USER MOD Set 3.1: A 40 SER OG : rot 92:sc= 1.47 USER MOD Set 3.2: A 52 ASN : amide:sc= 1.54 K(o=3,f=-4.4!) USER MOD Set 4.1: A 19 THR OG1 : rot 104:sc= 1.19 USER MOD Set 4.2: A 31 ASN : amide:sc= 0.993 X(o=2.2,f=1.9) USER MOD Set 5.1: A 22 LYS NZ :NH3+ -125:sc= 1.3 (180deg=0) USER MOD Set 5.2: A 33 HIS : no HE2:sc= 2.22 K(o=3.5,f=-14!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= 0.743 (180deg=-1.18!) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.0289 USER MOD Single : A -2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0227) USER MOD Single : A -5 THR N :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 0.407 (180deg=-0.299!) USER MOD Single : A 12 THR OG1 : rot -40:sc= 0.504 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 26 HIS : no HE2:sc= -0.797 K(o=-0.8,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0206) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.518 K(o=0.52,f=-5.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 47 SER OG : rot 37:sc= 0.449 USER MOD Single : A 48 TYR OH : rot 119:sc= 1.18 USER MOD Single : A 49 THR OG1 : rot -56:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc=-0.000768 (180deg=-0.0236) USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= 1.23 (180deg=0.0759) USER MOD Single : A 56 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.17) USER MOD Single : A 62 ASN : amide:sc= -0.394 K(o=-0.39,f=-1) USER MOD Single : A 64 MET CE :methyl 164:sc= -0.0169 (180deg=-0.312) USER MOD Single : A 65 SER OG : rot -62:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.68 USER MOD Single : A 70 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.787 (180deg=0.744) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 1.09 (180deg=-0.438) USER MOD Single : A 80 MET CE :methyl -175:sc= -0.0267 (180deg=-0.0677) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.39 K(o=1.4,f=-4.2!) USER MOD Single : A 96 THR OG1 : rot 67:sc= 1.48 USER MOD Single : A 97 TYR OH : rot 132:sc= 1.17 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 0.388 (180deg=0.382) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0.36 (180deg=0.112) USER MOD Single : A 102 THR OG1 : rot -26:sc= 0.143 USER MOD Single : A 104 HEC O2A : rot -86:sc= 0.438 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -13.811 -6.641 11.806 1.00 0.00 N ATOM 2 CA THR A -5 -12.986 -7.562 12.605 1.00 0.00 C ATOM 3 C THR A -5 -11.679 -7.785 11.887 1.00 0.00 C ATOM 4 O THR A -5 -10.710 -7.151 12.265 1.00 0.00 O ATOM 5 CB THR A -5 -13.699 -8.882 12.909 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.326 -9.380 11.749 1.00 0.00 O ATOM 7 CG2 THR A -5 -14.795 -8.695 13.953 1.00 0.00 C ATOM 0 H1 THR A -5 -14.717 -6.478 12.290 1.00 0.00 H new ATOM 0 H2 THR A -5 -13.311 -5.736 11.693 1.00 0.00 H new ATOM 0 H3 THR A -5 -13.989 -7.058 10.870 1.00 0.00 H new ATOM 0 HA THR A -5 -12.797 -7.106 13.577 1.00 0.00 H new ATOM 0 HB THR A -5 -12.938 -9.571 13.277 1.00 0.00 H new ATOM 0 HG1 THR A -5 -14.776 -10.225 11.958 1.00 0.00 H new ATOM 0 HG21 THR A -5 -15.281 -9.651 14.146 1.00 0.00 H new ATOM 0 HG22 THR A -5 -14.357 -8.318 14.877 1.00 0.00 H new ATOM 0 HG23 THR A -5 -15.532 -7.982 13.583 1.00 0.00 H new ATOM 17 N GLU A -4 -11.658 -8.619 10.845 1.00 0.00 N ATOM 18 CA GLU A -4 -10.481 -8.924 10.027 1.00 0.00 C ATOM 19 C GLU A -4 -10.869 -8.851 8.540 1.00 0.00 C ATOM 20 O GLU A -4 -10.808 -7.785 7.935 1.00 0.00 O ATOM 21 CB GLU A -4 -9.924 -10.310 10.406 1.00 0.00 C ATOM 22 CG GLU A -4 -9.380 -10.414 11.837 1.00 0.00 C ATOM 23 CD GLU A -4 -9.164 -11.889 12.188 1.00 0.00 C ATOM 24 OE1 GLU A -4 -10.199 -12.562 12.393 1.00 0.00 O ATOM 25 OE2 GLU A -4 -7.993 -12.324 12.198 1.00 0.00 O ATOM 0 H GLU A -4 -12.491 -9.119 10.536 1.00 0.00 H new ATOM 0 HA GLU A -4 -9.693 -8.193 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -10.713 -11.051 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -9.127 -10.569 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -8.442 -9.866 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -10.080 -9.960 12.539 1.00 0.00 H new ATOM 32 N PHE A -3 -11.329 -9.960 7.955 1.00 0.00 N ATOM 33 CA PHE A -3 -11.539 -10.127 6.517 1.00 0.00 C ATOM 34 C PHE A -3 -12.772 -11.004 6.248 1.00 0.00 C ATOM 35 O PHE A -3 -13.210 -11.758 7.121 1.00 0.00 O ATOM 36 CB PHE A -3 -10.253 -10.771 5.971 1.00 0.00 C ATOM 37 CG PHE A -3 -10.078 -10.764 4.468 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.802 -9.553 3.807 1.00 0.00 C ATOM 39 CD2 PHE A -3 -10.100 -11.969 3.739 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.550 -9.545 2.426 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.842 -11.961 2.356 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.566 -10.748 1.700 1.00 0.00 C ATOM 0 H PHE A -3 -11.573 -10.794 8.489 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.732 -9.174 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.400 -10.259 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.218 -11.805 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.784 -8.627 4.363 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -10.315 -12.900 4.242 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.344 -8.613 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.856 -12.886 1.798 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.366 -10.741 0.639 1.00 0.00 H new ATOM 52 N LYS A -2 -13.333 -10.950 5.035 1.00 0.00 N ATOM 53 CA LYS A -2 -14.386 -11.879 4.567 1.00 0.00 C ATOM 54 C LYS A -2 -14.328 -12.210 3.066 1.00 0.00 C ATOM 55 O LYS A -2 -15.239 -12.850 2.548 1.00 0.00 O ATOM 56 CB LYS A -2 -15.770 -11.336 4.987 1.00 0.00 C ATOM 57 CG LYS A -2 -16.764 -12.462 5.317 1.00 0.00 C ATOM 58 CD LYS A -2 -16.483 -13.122 6.679 1.00 0.00 C ATOM 59 CE LYS A -2 -17.121 -14.513 6.790 1.00 0.00 C ATOM 60 NZ LYS A -2 -18.591 -14.480 6.593 1.00 0.00 N ATOM 0 H LYS A -2 -13.070 -10.254 4.337 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.202 -12.837 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -15.655 -10.689 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -16.175 -10.721 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -17.777 -12.059 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.721 -13.220 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -15.406 -13.205 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -16.865 -12.484 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -16.673 -15.175 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -16.898 -14.934 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -18.985 -15.428 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -19.016 -13.805 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -18.804 -14.184 5.619 1.00 0.00 H new ATOM 74 N ALA A -1 -13.244 -11.790 2.416 1.00 0.00 N ATOM 75 CA ALA A -1 -13.074 -11.529 0.986 1.00 0.00 C ATOM 76 C ALA A -1 -13.873 -10.305 0.494 1.00 0.00 C ATOM 77 O ALA A -1 -14.908 -9.921 1.047 1.00 0.00 O ATOM 78 CB ALA A -1 -13.311 -12.800 0.151 1.00 0.00 C ATOM 0 H ALA A -1 -12.380 -11.606 2.925 1.00 0.00 H new ATOM 0 HA ALA A -1 -12.031 -11.251 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.177 -12.571 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -12.599 -13.569 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.326 -13.161 0.318 1.00 0.00 H new ATOM 84 N GLY A 1 -13.354 -9.667 -0.557 1.00 0.00 N ATOM 85 CA GLY A 1 -13.993 -8.612 -1.343 1.00 0.00 C ATOM 86 C GLY A 1 -14.063 -9.036 -2.811 1.00 0.00 C ATOM 87 O GLY A 1 -14.299 -10.204 -3.107 1.00 0.00 O ATOM 0 H GLY A 1 -12.420 -9.887 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.996 -8.418 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.430 -7.683 -1.249 1.00 0.00 H new ATOM 91 N SER A 2 -13.820 -8.126 -3.756 1.00 0.00 N ATOM 92 CA SER A 2 -13.563 -8.510 -5.156 1.00 0.00 C ATOM 93 C SER A 2 -12.447 -7.688 -5.786 1.00 0.00 C ATOM 94 O SER A 2 -12.338 -6.485 -5.548 1.00 0.00 O ATOM 95 CB SER A 2 -14.828 -8.374 -5.999 1.00 0.00 C ATOM 96 OG SER A 2 -14.629 -8.919 -7.289 1.00 0.00 O ATOM 0 H SER A 2 -13.795 -7.121 -3.584 1.00 0.00 H new ATOM 0 HA SER A 2 -13.246 -9.553 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.656 -8.884 -5.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.105 -7.323 -6.081 1.00 0.00 H new ATOM 0 HG SER A 2 -15.451 -8.824 -7.814 1.00 0.00 H new ATOM 102 N ALA A 3 -11.654 -8.314 -6.661 1.00 0.00 N ATOM 103 CA ALA A 3 -10.515 -7.668 -7.306 1.00 0.00 C ATOM 104 C ALA A 3 -10.907 -6.385 -8.062 1.00 0.00 C ATOM 105 O ALA A 3 -10.177 -5.401 -8.012 1.00 0.00 O ATOM 106 CB ALA A 3 -9.830 -8.689 -8.220 1.00 0.00 C ATOM 0 H ALA A 3 -11.787 -9.286 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.815 -7.340 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.976 -8.223 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.489 -9.537 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.537 -9.034 -8.974 1.00 0.00 H new ATOM 112 N LYS A 4 -12.085 -6.351 -8.710 1.00 0.00 N ATOM 113 CA LYS A 4 -12.575 -5.151 -9.418 1.00 0.00 C ATOM 114 C LYS A 4 -13.105 -4.037 -8.510 1.00 0.00 C ATOM 115 O LYS A 4 -13.011 -2.864 -8.860 1.00 0.00 O ATOM 116 CB LYS A 4 -13.585 -5.550 -10.510 1.00 0.00 C ATOM 117 CG LYS A 4 -13.989 -4.347 -11.385 1.00 0.00 C ATOM 118 CD LYS A 4 -14.814 -4.716 -12.623 1.00 0.00 C ATOM 119 CE LYS A 4 -13.960 -5.424 -13.683 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.718 -5.617 -14.943 1.00 0.00 N ATOM 0 H LYS A 4 -12.721 -7.147 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.702 -4.702 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.152 -6.327 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.474 -5.975 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.561 -3.646 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.087 -3.827 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.641 -5.363 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.252 -3.814 -13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.063 -4.838 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.631 -6.391 -13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.115 -6.098 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.561 -6.197 -14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.010 -4.692 -15.317 1.00 0.00 H new ATOM 134 N LYS A 5 -13.620 -4.400 -7.341 1.00 0.00 N ATOM 135 CA LYS A 5 -14.127 -3.462 -6.319 1.00 0.00 C ATOM 136 C LYS A 5 -12.956 -2.668 -5.739 1.00 0.00 C ATOM 137 O LYS A 5 -12.895 -1.452 -5.905 1.00 0.00 O ATOM 138 CB LYS A 5 -14.956 -4.206 -5.247 1.00 0.00 C ATOM 139 CG LYS A 5 -16.297 -4.695 -5.829 1.00 0.00 C ATOM 140 CD LYS A 5 -17.048 -5.753 -4.997 1.00 0.00 C ATOM 141 CE LYS A 5 -17.940 -5.230 -3.865 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.234 -5.224 -2.566 1.00 0.00 N ATOM 0 H LYS A 5 -13.703 -5.377 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.813 -2.747 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.388 -5.056 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.142 -3.544 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.950 -3.832 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.112 -5.106 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.667 -6.342 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.313 -6.432 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.273 -4.220 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.833 -5.850 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.905 -5.452 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.473 -5.933 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.826 -4.282 -2.397 1.00 0.00 H new ATOM 156 N GLY A 6 -11.971 -3.368 -5.172 1.00 0.00 N ATOM 157 CA GLY A 6 -10.725 -2.744 -4.718 1.00 0.00 C ATOM 158 C GLY A 6 -9.971 -2.007 -5.828 1.00 0.00 C ATOM 159 O GLY A 6 -9.426 -0.934 -5.579 1.00 0.00 O ATOM 0 H GLY A 6 -12.013 -4.375 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.951 -2.042 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.076 -3.512 -4.297 1.00 0.00 H new ATOM 163 N ALA A 7 -9.986 -2.524 -7.065 1.00 0.00 N ATOM 164 CA ALA A 7 -9.369 -1.858 -8.212 1.00 0.00 C ATOM 165 C ALA A 7 -9.985 -0.483 -8.460 1.00 0.00 C ATOM 166 O ALA A 7 -9.248 0.496 -8.551 1.00 0.00 O ATOM 167 CB ALA A 7 -9.470 -2.706 -9.486 1.00 0.00 C ATOM 0 H ALA A 7 -10.427 -3.415 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.315 -1.731 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.000 -2.176 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.963 -3.658 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.519 -2.888 -9.720 1.00 0.00 H new ATOM 173 N THR A 8 -11.314 -0.391 -8.600 1.00 0.00 N ATOM 174 CA THR A 8 -11.967 0.891 -8.901 1.00 0.00 C ATOM 175 C THR A 8 -11.897 1.897 -7.750 1.00 0.00 C ATOM 176 O THR A 8 -11.984 3.094 -8.008 1.00 0.00 O ATOM 177 CB THR A 8 -13.404 0.700 -9.407 1.00 0.00 C ATOM 178 OG1 THR A 8 -13.738 1.811 -10.201 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.483 0.540 -8.336 1.00 0.00 C ATOM 0 H THR A 8 -11.953 -1.181 -8.511 1.00 0.00 H new ATOM 0 HA THR A 8 -11.389 1.331 -9.714 1.00 0.00 H new ATOM 0 HB THR A 8 -13.395 -0.245 -9.950 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.301 2.612 -9.843 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.454 0.412 -8.814 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.262 -0.335 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.503 1.428 -7.704 1.00 0.00 H new ATOM 187 N LEU A 9 -11.664 1.432 -6.516 1.00 0.00 N ATOM 188 CA LEU A 9 -11.264 2.271 -5.390 1.00 0.00 C ATOM 189 C LEU A 9 -9.838 2.770 -5.636 1.00 0.00 C ATOM 190 O LEU A 9 -9.629 3.947 -5.908 1.00 0.00 O ATOM 191 CB LEU A 9 -11.374 1.481 -4.069 1.00 0.00 C ATOM 192 CG LEU A 9 -12.826 1.314 -3.605 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.955 0.113 -2.664 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.321 2.563 -2.868 1.00 0.00 C ATOM 0 H LEU A 9 -11.751 0.445 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.927 3.132 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.922 0.498 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.805 1.994 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.433 1.157 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.992 0.010 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.644 -0.793 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.320 0.265 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.353 2.414 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.696 2.741 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.267 3.424 -3.534 1.00 0.00 H new ATOM 206 N PHE A 10 -8.851 1.870 -5.608 1.00 0.00 N ATOM 207 CA PHE A 10 -7.423 2.162 -5.784 1.00 0.00 C ATOM 208 C PHE A 10 -7.140 3.111 -6.959 1.00 0.00 C ATOM 209 O PHE A 10 -6.383 4.080 -6.812 1.00 0.00 O ATOM 210 CB PHE A 10 -6.646 0.844 -5.951 1.00 0.00 C ATOM 211 CG PHE A 10 -5.207 1.051 -6.394 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.909 1.155 -7.767 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.176 1.192 -5.447 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.610 1.488 -8.183 1.00 0.00 C ATOM 215 CE2 PHE A 10 -2.877 1.533 -5.868 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.605 1.720 -7.231 1.00 0.00 C ATOM 0 H PHE A 10 -9.031 0.878 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.086 2.683 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.654 0.302 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.158 0.218 -6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.681 0.978 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.381 1.039 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.384 1.566 -9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.088 1.651 -5.140 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.624 2.042 -7.548 1.00 0.00 H new ATOM 226 N LYS A 11 -7.767 2.858 -8.118 1.00 0.00 N ATOM 227 CA LYS A 11 -7.581 3.609 -9.374 1.00 0.00 C ATOM 228 C LYS A 11 -8.006 5.090 -9.267 1.00 0.00 C ATOM 229 O LYS A 11 -7.580 5.890 -10.091 1.00 0.00 O ATOM 230 CB LYS A 11 -8.265 2.827 -10.519 1.00 0.00 C ATOM 231 CG LYS A 11 -7.966 3.319 -11.953 1.00 0.00 C ATOM 232 CD LYS A 11 -7.483 2.230 -12.939 1.00 0.00 C ATOM 233 CE LYS A 11 -6.036 1.770 -12.680 1.00 0.00 C ATOM 234 NZ LYS A 11 -5.502 0.874 -13.740 1.00 0.00 N ATOM 0 H LYS A 11 -8.442 2.099 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.517 3.680 -9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.966 1.781 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.343 2.862 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.868 3.777 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.208 4.100 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.148 1.369 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.558 2.612 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.393 2.646 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.993 1.252 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.463 0.911 -13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.814 -0.102 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.855 1.185 -14.668 1.00 0.00 H new ATOM 248 N THR A 12 -8.733 5.481 -8.211 1.00 0.00 N ATOM 249 CA THR A 12 -9.065 6.878 -7.862 1.00 0.00 C ATOM 250 C THR A 12 -8.844 7.241 -6.381 1.00 0.00 C ATOM 251 O THR A 12 -9.289 8.298 -5.931 1.00 0.00 O ATOM 252 CB THR A 12 -10.482 7.223 -8.345 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.644 8.618 -8.352 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.599 6.617 -7.497 1.00 0.00 C ATOM 0 H THR A 12 -9.123 4.811 -7.548 1.00 0.00 H new ATOM 0 HA THR A 12 -8.349 7.505 -8.393 1.00 0.00 H new ATOM 0 HB THR A 12 -10.570 6.793 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.219 9.001 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.566 6.909 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.514 5.530 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.515 6.978 -6.472 1.00 0.00 H new ATOM 262 N ARG A 13 -8.159 6.387 -5.609 1.00 0.00 N ATOM 263 CA ARG A 13 -7.838 6.593 -4.181 1.00 0.00 C ATOM 264 C ARG A 13 -6.331 6.650 -3.910 1.00 0.00 C ATOM 265 O ARG A 13 -5.905 7.299 -2.959 1.00 0.00 O ATOM 266 CB ARG A 13 -8.476 5.473 -3.334 1.00 0.00 C ATOM 267 CG ARG A 13 -10.017 5.454 -3.338 1.00 0.00 C ATOM 268 CD ARG A 13 -10.647 6.375 -2.291 1.00 0.00 C ATOM 269 NE ARG A 13 -11.363 5.608 -1.248 1.00 0.00 N ATOM 270 CZ ARG A 13 -11.871 6.096 -0.131 1.00 0.00 C ATOM 271 NH1 ARG A 13 -11.885 7.387 0.086 1.00 0.00 N ATOM 272 NH2 ARG A 13 -12.385 5.339 0.802 1.00 0.00 N ATOM 0 H ARG A 13 -7.799 5.503 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.251 7.562 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.114 4.511 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.131 5.574 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.372 5.746 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.359 4.434 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.871 6.983 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.340 7.060 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.475 4.607 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.501 8.025 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.280 7.754 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.405 4.326 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.766 5.761 1.649 1.00 0.00 H new ATOM 286 N CYS A 14 -5.538 5.971 -4.743 1.00 0.00 N ATOM 287 CA CYS A 14 -4.111 5.715 -4.519 1.00 0.00 C ATOM 288 C CYS A 14 -3.259 5.928 -5.782 1.00 0.00 C ATOM 289 O CYS A 14 -2.125 6.391 -5.679 1.00 0.00 O ATOM 290 CB CYS A 14 -3.925 4.260 -4.083 1.00 0.00 C ATOM 291 SG CYS A 14 -5.133 3.541 -2.924 1.00 0.00 S ATOM 0 H CYS A 14 -5.880 5.572 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.782 6.421 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.919 3.643 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.938 4.173 -3.630 1.00 0.00 H new ATOM 296 N LEU A 15 -3.788 5.630 -6.982 1.00 0.00 N ATOM 297 CA LEU A 15 -3.085 5.783 -8.268 1.00 0.00 C ATOM 298 C LEU A 15 -2.586 7.220 -8.538 1.00 0.00 C ATOM 299 O LEU A 15 -1.577 7.402 -9.214 1.00 0.00 O ATOM 300 CB LEU A 15 -4.012 5.291 -9.393 1.00 0.00 C ATOM 301 CG LEU A 15 -3.303 5.114 -10.754 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.626 3.750 -10.892 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.331 5.224 -11.876 1.00 0.00 C ATOM 0 H LEU A 15 -4.736 5.269 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.180 5.177 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.453 4.339 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.832 5.999 -9.511 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.542 5.892 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.144 3.680 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.878 3.634 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.373 2.962 -10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.834 5.100 -12.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.086 4.448 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.808 6.203 -11.838 1.00 0.00 H new ATOM 315 N GLN A 16 -3.215 8.230 -7.926 1.00 0.00 N ATOM 316 CA GLN A 16 -2.706 9.607 -7.854 1.00 0.00 C ATOM 317 C GLN A 16 -1.244 9.723 -7.358 1.00 0.00 C ATOM 318 O GLN A 16 -0.568 10.699 -7.678 1.00 0.00 O ATOM 319 CB GLN A 16 -3.678 10.468 -7.022 1.00 0.00 C ATOM 320 CG GLN A 16 -3.912 9.971 -5.581 1.00 0.00 C ATOM 321 CD GLN A 16 -4.963 10.806 -4.845 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.069 11.027 -5.308 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.688 11.275 -3.648 1.00 0.00 N ATOM 0 H GLN A 16 -4.112 8.111 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.665 9.989 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.294 11.488 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.638 10.508 -7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.230 8.929 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.972 10.005 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.772 11.107 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.391 11.807 -3.135 1.00 0.00 H new ATOM 332 N CYS A 17 -0.734 8.716 -6.636 1.00 0.00 N ATOM 333 CA CYS A 17 0.664 8.615 -6.195 1.00 0.00 C ATOM 334 C CYS A 17 1.390 7.312 -6.574 1.00 0.00 C ATOM 335 O CYS A 17 2.621 7.297 -6.558 1.00 0.00 O ATOM 336 CB CYS A 17 0.727 8.750 -4.673 1.00 0.00 C ATOM 337 SG CYS A 17 0.109 10.317 -3.986 1.00 0.00 S ATOM 0 H CYS A 17 -1.301 7.924 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 17 1.177 9.421 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.157 7.933 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.763 8.622 -4.359 1.00 0.00 H new ATOM 342 N HIS A 18 0.675 6.223 -6.889 1.00 0.00 N ATOM 343 CA HIS A 18 1.212 4.850 -6.983 1.00 0.00 C ATOM 344 C HIS A 18 0.941 4.140 -8.312 1.00 0.00 C ATOM 345 O HIS A 18 0.068 4.523 -9.082 1.00 0.00 O ATOM 346 CB HIS A 18 0.576 3.994 -5.872 1.00 0.00 C ATOM 347 CG HIS A 18 1.287 4.092 -4.562 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.569 3.660 -4.312 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.741 4.524 -3.389 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.787 3.831 -3.001 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.699 4.348 -2.400 1.00 0.00 N ATOM 0 H HIS A 18 -0.323 6.270 -7.092 1.00 0.00 H new ATOM 0 HA HIS A 18 2.293 4.952 -6.889 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.461 4.301 -5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.561 2.952 -6.191 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.227 3.282 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.252 4.928 -3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.710 3.587 -2.495 1.00 0.00 H new ATOM 359 N THR A 19 1.607 3.001 -8.495 1.00 0.00 N ATOM 360 CA THR A 19 1.256 1.963 -9.471 1.00 0.00 C ATOM 361 C THR A 19 1.352 0.573 -8.822 1.00 0.00 C ATOM 362 O THR A 19 1.879 0.417 -7.716 1.00 0.00 O ATOM 363 CB THR A 19 2.138 2.072 -10.720 1.00 0.00 C ATOM 364 OG1 THR A 19 3.483 1.930 -10.360 1.00 0.00 O ATOM 365 CG2 THR A 19 1.998 3.414 -11.444 1.00 0.00 C ATOM 0 H THR A 19 2.436 2.764 -7.950 1.00 0.00 H new ATOM 0 HA THR A 19 0.225 2.111 -9.792 1.00 0.00 H new ATOM 0 HB THR A 19 1.807 1.281 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.795 1.035 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.649 3.425 -12.318 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.964 3.551 -11.759 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.282 4.222 -10.770 1.00 0.00 H new ATOM 373 N VAL A 20 0.797 -0.441 -9.482 1.00 0.00 N ATOM 374 CA VAL A 20 0.842 -1.857 -9.060 1.00 0.00 C ATOM 375 C VAL A 20 1.032 -2.734 -10.294 1.00 0.00 C ATOM 376 O VAL A 20 1.851 -3.649 -10.302 1.00 0.00 O ATOM 377 CB VAL A 20 -0.441 -2.302 -8.310 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.177 -3.550 -7.466 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.022 -1.245 -7.370 1.00 0.00 C ATOM 0 H VAL A 20 0.285 -0.306 -10.354 1.00 0.00 H new ATOM 0 HA VAL A 20 1.675 -1.966 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.162 -2.491 -9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.092 -3.841 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.150 -4.364 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.600 -3.335 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.916 -1.639 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.283 -0.988 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.281 -0.353 -7.941 1.00 0.00 H new ATOM 389 N GLU A 21 0.267 -2.418 -11.339 1.00 0.00 N ATOM 390 CA GLU A 21 0.284 -3.053 -12.650 1.00 0.00 C ATOM 391 C GLU A 21 1.683 -2.949 -13.289 1.00 0.00 C ATOM 392 O GLU A 21 2.430 -1.979 -13.130 1.00 0.00 O ATOM 393 CB GLU A 21 -0.790 -2.438 -13.571 1.00 0.00 C ATOM 394 CG GLU A 21 -2.160 -2.135 -12.902 1.00 0.00 C ATOM 395 CD GLU A 21 -2.963 -0.985 -13.535 1.00 0.00 C ATOM 396 OE1 GLU A 21 -3.758 -1.205 -14.469 1.00 0.00 O ATOM 397 OE2 GLU A 21 -2.946 0.145 -12.994 1.00 0.00 O ATOM 0 H GLU A 21 -0.421 -1.667 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 21 0.050 -4.110 -12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.397 -1.510 -13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.957 -3.117 -14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.768 -3.039 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.988 -1.901 -11.851 1.00 0.00 H new ATOM 404 N LYS A 22 2.061 -4.017 -13.981 1.00 0.00 N ATOM 405 CA LYS A 22 3.457 -4.423 -14.174 1.00 0.00 C ATOM 406 C LYS A 22 4.200 -3.597 -15.236 1.00 0.00 C ATOM 407 O LYS A 22 4.272 -3.989 -16.397 1.00 0.00 O ATOM 408 CB LYS A 22 3.477 -5.931 -14.446 1.00 0.00 C ATOM 409 CG LYS A 22 4.868 -6.519 -14.197 1.00 0.00 C ATOM 410 CD LYS A 22 4.844 -8.008 -14.544 1.00 0.00 C ATOM 411 CE LYS A 22 6.191 -8.660 -14.201 1.00 0.00 C ATOM 412 NZ LYS A 22 6.225 -9.127 -12.791 1.00 0.00 N ATOM 0 H LYS A 22 1.395 -4.642 -14.435 1.00 0.00 H new ATOM 0 HA LYS A 22 4.019 -4.213 -13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.749 -6.429 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.178 -6.121 -15.477 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.610 -6.002 -14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.156 -6.379 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.043 -8.503 -13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.630 -8.137 -15.605 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.369 -9.503 -14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.996 -7.944 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.045 -8.709 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.352 -8.835 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.302 -10.164 -12.771 1.00 0.00 H new ATOM 426 N GLY A 23 4.781 -2.478 -14.808 1.00 0.00 N ATOM 427 CA GLY A 23 5.558 -1.558 -15.647 1.00 0.00 C ATOM 428 C GLY A 23 5.209 -0.080 -15.448 1.00 0.00 C ATOM 429 O GLY A 23 5.848 0.778 -16.051 1.00 0.00 O ATOM 0 H GLY A 23 4.724 -2.174 -13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.618 -1.701 -15.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.402 -1.819 -16.694 1.00 0.00 H new ATOM 433 N GLY A 24 4.223 0.238 -14.602 1.00 0.00 N ATOM 434 CA GLY A 24 3.988 1.608 -14.149 1.00 0.00 C ATOM 435 C GLY A 24 5.235 2.173 -13.448 1.00 0.00 C ATOM 436 O GLY A 24 5.661 1.583 -12.456 1.00 0.00 O ATOM 0 H GLY A 24 3.571 -0.444 -14.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.727 2.237 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.140 1.629 -13.465 1.00 0.00 H new ATOM 440 N PRO A 25 5.857 3.270 -13.925 1.00 0.00 N ATOM 441 CA PRO A 25 7.089 3.773 -13.324 1.00 0.00 C ATOM 442 C PRO A 25 6.862 4.303 -11.901 1.00 0.00 C ATOM 443 O PRO A 25 5.816 4.883 -11.592 1.00 0.00 O ATOM 444 CB PRO A 25 7.598 4.865 -14.273 1.00 0.00 C ATOM 445 CG PRO A 25 6.334 5.337 -14.990 1.00 0.00 C ATOM 446 CD PRO A 25 5.491 4.066 -15.086 1.00 0.00 C ATOM 0 HA PRO A 25 7.825 2.978 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.077 5.678 -13.728 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.335 4.474 -14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.821 6.119 -14.429 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.559 5.746 -15.975 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.426 4.300 -15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.696 3.528 -16.012 1.00 0.00 H new ATOM 454 N HIS A 26 7.896 4.166 -11.062 1.00 0.00 N ATOM 455 CA HIS A 26 7.968 4.752 -9.724 1.00 0.00 C ATOM 456 C HIS A 26 7.665 6.261 -9.751 1.00 0.00 C ATOM 457 O HIS A 26 8.233 7.015 -10.546 1.00 0.00 O ATOM 458 CB HIS A 26 9.361 4.507 -9.125 1.00 0.00 C ATOM 459 CG HIS A 26 9.677 3.094 -8.691 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.825 2.011 -8.634 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.860 2.711 -8.122 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.467 1.031 -7.970 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.688 1.425 -7.614 1.00 0.00 N ATOM 0 H HIS A 26 8.728 3.628 -11.305 1.00 0.00 H new ATOM 0 HA HIS A 26 7.212 4.271 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.106 4.811 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.480 5.162 -8.262 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.883 1.961 -9.023 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.765 3.299 -8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.049 0.059 -7.756 1.00 0.00 H new ATOM 471 N LYS A 27 6.735 6.689 -8.893 1.00 0.00 N ATOM 472 CA LYS A 27 6.119 8.021 -8.898 1.00 0.00 C ATOM 473 C LYS A 27 6.245 8.680 -7.515 1.00 0.00 C ATOM 474 O LYS A 27 7.298 8.577 -6.886 1.00 0.00 O ATOM 475 CB LYS A 27 4.685 7.863 -9.463 1.00 0.00 C ATOM 476 CG LYS A 27 4.301 8.983 -10.436 1.00 0.00 C ATOM 477 CD LYS A 27 4.964 8.777 -11.811 1.00 0.00 C ATOM 478 CE LYS A 27 4.643 9.914 -12.788 1.00 0.00 C ATOM 479 NZ LYS A 27 3.196 9.986 -13.118 1.00 0.00 N ATOM 0 H LYS A 27 6.376 6.095 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 27 6.633 8.726 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.604 6.903 -9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.974 7.847 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.218 9.012 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.603 9.946 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.044 8.704 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.629 7.831 -12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.962 10.862 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.215 9.774 -13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.039 10.725 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.879 9.069 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.655 10.214 -12.259 1.00 0.00 H new ATOM 493 N VAL A 28 5.197 9.352 -7.026 1.00 0.00 N ATOM 494 CA VAL A 28 5.124 9.873 -5.643 1.00 0.00 C ATOM 495 C VAL A 28 5.241 8.755 -4.587 1.00 0.00 C ATOM 496 O VAL A 28 5.656 9.040 -3.468 1.00 0.00 O ATOM 497 CB VAL A 28 3.842 10.700 -5.421 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.826 11.435 -4.073 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.645 11.766 -6.510 1.00 0.00 C ATOM 0 H VAL A 28 4.364 9.555 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 28 5.984 10.531 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 28 3.039 9.963 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.898 11.999 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.896 10.710 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.673 12.119 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.730 12.324 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.494 12.450 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.572 11.282 -7.484 1.00 0.00 H new ATOM 509 N GLY A 29 4.950 7.500 -4.953 1.00 0.00 N ATOM 510 CA GLY A 29 5.408 6.261 -4.317 1.00 0.00 C ATOM 511 C GLY A 29 5.795 5.170 -5.346 1.00 0.00 C ATOM 512 O GLY A 29 5.664 5.383 -6.557 1.00 0.00 O ATOM 0 H GLY A 29 4.348 7.312 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.268 6.479 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.621 5.879 -3.666 1.00 0.00 H new ATOM 516 N PRO A 30 6.289 4.001 -4.890 1.00 0.00 N ATOM 517 CA PRO A 30 6.805 2.927 -5.751 1.00 0.00 C ATOM 518 C PRO A 30 5.722 2.096 -6.474 1.00 0.00 C ATOM 519 O PRO A 30 4.533 2.171 -6.172 1.00 0.00 O ATOM 520 CB PRO A 30 7.639 2.048 -4.811 1.00 0.00 C ATOM 521 CG PRO A 30 6.944 2.213 -3.462 1.00 0.00 C ATOM 522 CD PRO A 30 6.519 3.678 -3.488 1.00 0.00 C ATOM 0 HA PRO A 30 7.377 3.356 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.646 1.007 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.678 2.376 -4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.089 1.544 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.616 2.000 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.616 3.833 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.292 4.317 -3.062 1.00 0.00 H new ATOM 530 N ASN A 31 6.156 1.239 -7.405 1.00 0.00 N ATOM 531 CA ASN A 31 5.329 0.249 -8.107 1.00 0.00 C ATOM 532 C ASN A 31 5.169 -1.017 -7.252 1.00 0.00 C ATOM 533 O ASN A 31 6.086 -1.832 -7.183 1.00 0.00 O ATOM 534 CB ASN A 31 5.932 -0.082 -9.481 1.00 0.00 C ATOM 535 CG ASN A 31 5.019 -1.059 -10.201 1.00 0.00 C ATOM 536 OD1 ASN A 31 3.999 -0.693 -10.757 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.280 -2.340 -10.104 1.00 0.00 N ATOM 0 H ASN A 31 7.131 1.215 -7.702 1.00 0.00 H new ATOM 0 HA ASN A 31 4.339 0.674 -8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.048 0.828 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.926 -0.514 -9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.631 -3.024 -10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.132 -2.653 -9.640 1.00 0.00 H new ATOM 544 N LEU A 32 4.021 -1.142 -6.584 1.00 0.00 N ATOM 545 CA LEU A 32 3.817 -1.994 -5.420 1.00 0.00 C ATOM 546 C LEU A 32 3.961 -3.474 -5.800 1.00 0.00 C ATOM 547 O LEU A 32 4.893 -4.133 -5.351 1.00 0.00 O ATOM 548 CB LEU A 32 2.452 -1.641 -4.778 1.00 0.00 C ATOM 549 CG LEU A 32 2.333 -0.206 -4.209 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.888 0.092 -3.802 1.00 0.00 C ATOM 551 CD2 LEU A 32 3.209 0.005 -2.974 1.00 0.00 C ATOM 0 H LEU A 32 3.179 -0.632 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 32 4.586 -1.814 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.671 -1.782 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.255 -2.349 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 32 2.664 0.463 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.824 1.105 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.239 0.002 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.571 -0.618 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.090 1.027 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.910 -0.693 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.253 -0.168 -3.235 1.00 0.00 H new ATOM 563 N HIS A 33 3.089 -3.966 -6.686 1.00 0.00 N ATOM 564 CA HIS A 33 3.041 -5.360 -7.162 1.00 0.00 C ATOM 565 C HIS A 33 3.303 -6.334 -5.992 1.00 0.00 C ATOM 566 O HIS A 33 2.515 -6.409 -5.052 1.00 0.00 O ATOM 567 CB HIS A 33 4.011 -5.427 -8.368 1.00 0.00 C ATOM 568 CG HIS A 33 3.864 -6.581 -9.329 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.699 -7.216 -9.698 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.850 -7.030 -10.165 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.982 -8.041 -10.719 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.289 -7.965 -11.046 1.00 0.00 N ATOM 0 H HIS A 33 2.367 -3.384 -7.111 1.00 0.00 H new ATOM 0 HA HIS A 33 2.062 -5.681 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.903 -4.503 -8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.029 -5.444 -7.978 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.782 -7.083 -9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.884 -6.717 -10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.262 -8.678 -11.211 1.00 0.00 H new ATOM 580 N GLY A 34 4.470 -6.966 -5.975 1.00 0.00 N ATOM 581 CA GLY A 34 4.921 -7.913 -4.951 1.00 0.00 C ATOM 582 C GLY A 34 5.477 -7.288 -3.665 1.00 0.00 C ATOM 583 O GLY A 34 6.565 -7.673 -3.236 1.00 0.00 O ATOM 0 H GLY A 34 5.165 -6.828 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.084 -8.559 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.691 -8.550 -5.386 1.00 0.00 H new ATOM 587 N ILE A 35 4.743 -6.370 -3.020 1.00 0.00 N ATOM 588 CA ILE A 35 5.048 -5.954 -1.639 1.00 0.00 C ATOM 589 C ILE A 35 4.762 -7.052 -0.611 1.00 0.00 C ATOM 590 O ILE A 35 5.413 -7.082 0.424 1.00 0.00 O ATOM 591 CB ILE A 35 4.345 -4.649 -1.195 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.821 -4.731 -0.932 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.685 -3.477 -2.119 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.930 -5.179 -2.096 1.00 0.00 C ATOM 0 H ILE A 35 3.935 -5.901 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 35 6.120 -5.757 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 35 4.767 -4.470 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.659 -5.416 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.481 -3.748 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.172 -2.580 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.761 -3.306 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.364 -3.709 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.889 -5.192 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.043 -4.485 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.223 -6.179 -2.415 1.00 0.00 H new ATOM 606 N PHE A 36 3.809 -7.945 -0.884 1.00 0.00 N ATOM 607 CA PHE A 36 3.357 -8.979 0.049 1.00 0.00 C ATOM 608 C PHE A 36 4.464 -9.980 0.386 1.00 0.00 C ATOM 609 O PHE A 36 5.015 -10.657 -0.480 1.00 0.00 O ATOM 610 CB PHE A 36 2.089 -9.667 -0.470 1.00 0.00 C ATOM 611 CG PHE A 36 0.861 -8.796 -0.296 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.396 -8.512 1.003 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.227 -8.208 -1.406 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.664 -7.614 1.195 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.854 -7.330 -1.212 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.296 -7.030 0.088 1.00 0.00 C ATOM 0 H PHE A 36 3.320 -7.970 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 36 3.102 -8.486 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.214 -9.911 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.944 -10.608 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.858 -8.988 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.570 -8.431 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.993 -7.372 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.346 -6.885 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.122 -6.350 0.234 1.00 0.00 H new ATOM 626 N GLY A 37 4.810 -10.017 1.671 1.00 0.00 N ATOM 627 CA GLY A 37 5.945 -10.768 2.215 1.00 0.00 C ATOM 628 C GLY A 37 7.297 -10.051 2.093 1.00 0.00 C ATOM 629 O GLY A 37 8.314 -10.584 2.539 1.00 0.00 O ATOM 0 H GLY A 37 4.292 -9.509 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.754 -10.980 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.009 -11.728 1.703 1.00 0.00 H new ATOM 633 N ARG A 38 7.346 -8.852 1.499 1.00 0.00 N ATOM 634 CA ARG A 38 8.517 -7.969 1.514 1.00 0.00 C ATOM 635 C ARG A 38 8.535 -7.113 2.778 1.00 0.00 C ATOM 636 O ARG A 38 7.528 -6.911 3.445 1.00 0.00 O ATOM 637 CB ARG A 38 8.515 -7.102 0.246 1.00 0.00 C ATOM 638 CG ARG A 38 9.869 -6.528 -0.168 1.00 0.00 C ATOM 639 CD ARG A 38 10.852 -7.638 -0.549 1.00 0.00 C ATOM 640 NE ARG A 38 12.136 -7.079 -0.997 1.00 0.00 N ATOM 641 CZ ARG A 38 12.368 -6.468 -2.144 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.451 -6.386 -3.067 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.520 -5.907 -2.365 1.00 0.00 N ATOM 0 H ARG A 38 6.556 -8.462 0.985 1.00 0.00 H new ATOM 0 HA ARG A 38 9.425 -8.572 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.127 -7.699 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.821 -6.275 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.737 -5.851 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.282 -5.939 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.016 -8.292 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.423 -8.251 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 38 12.926 -7.173 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.532 -6.799 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.653 -5.909 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.248 -5.938 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.696 -5.436 -3.252 1.00 0.00 H new ATOM 657 N HIS A 39 9.712 -6.580 3.064 1.00 0.00 N ATOM 658 CA HIS A 39 9.947 -5.640 4.157 1.00 0.00 C ATOM 659 C HIS A 39 9.815 -4.203 3.650 1.00 0.00 C ATOM 660 O HIS A 39 10.353 -3.877 2.591 1.00 0.00 O ATOM 661 CB HIS A 39 11.327 -5.907 4.764 1.00 0.00 C ATOM 662 CG HIS A 39 11.380 -7.262 5.418 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.825 -8.439 4.851 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.851 -7.559 6.643 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.551 -9.432 5.716 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.961 -8.942 6.813 1.00 0.00 N ATOM 0 H HIS A 39 10.555 -6.793 2.530 1.00 0.00 H new ATOM 0 HA HIS A 39 9.199 -5.779 4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.088 -5.846 3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.560 -5.136 5.499 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.428 -6.857 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.775 -10.475 5.549 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.649 -9.478 7.623 1.00 0.00 H new ATOM 674 N SER A 40 9.091 -3.367 4.393 1.00 0.00 N ATOM 675 CA SER A 40 8.784 -1.973 4.075 1.00 0.00 C ATOM 676 C SER A 40 10.050 -1.151 3.848 1.00 0.00 C ATOM 677 O SER A 40 10.996 -1.198 4.640 1.00 0.00 O ATOM 678 CB SER A 40 7.859 -1.361 5.137 1.00 0.00 C ATOM 679 OG SER A 40 8.531 -0.956 6.316 1.00 0.00 O ATOM 0 H SER A 40 8.681 -3.659 5.280 1.00 0.00 H new ATOM 0 HA SER A 40 8.241 -1.953 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.348 -0.499 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.091 -2.089 5.399 1.00 0.00 H new ATOM 0 HG SER A 40 8.796 -0.016 6.235 1.00 0.00 H new ATOM 685 N GLY A 41 10.098 -0.462 2.711 1.00 0.00 N ATOM 686 CA GLY A 41 11.296 0.266 2.299 1.00 0.00 C ATOM 687 C GLY A 41 12.259 -0.503 1.382 1.00 0.00 C ATOM 688 O GLY A 41 13.470 -0.340 1.523 1.00 0.00 O ATOM 0 H GLY A 41 9.319 -0.392 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.987 1.178 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.840 0.570 3.193 1.00 0.00 H new ATOM 692 N GLN A 42 11.770 -1.361 0.471 1.00 0.00 N ATOM 693 CA GLN A 42 12.609 -2.204 -0.410 1.00 0.00 C ATOM 694 C GLN A 42 12.216 -2.256 -1.916 1.00 0.00 C ATOM 695 O GLN A 42 12.499 -3.249 -2.598 1.00 0.00 O ATOM 696 CB GLN A 42 12.744 -3.619 0.170 1.00 0.00 C ATOM 697 CG GLN A 42 13.538 -3.719 1.477 1.00 0.00 C ATOM 698 CD GLN A 42 14.081 -5.137 1.715 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.915 -6.066 0.927 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.802 -5.374 2.787 1.00 0.00 N ATOM 0 H GLN A 42 10.770 -1.493 0.321 1.00 0.00 H new ATOM 0 HA GLN A 42 13.573 -1.696 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.745 -4.021 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.221 -4.255 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.368 -3.013 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.899 -3.431 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.965 -4.631 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.199 -6.301 2.940 1.00 0.00 H new ATOM 709 N ALA A 43 11.578 -1.223 -2.469 1.00 0.00 N ATOM 710 CA ALA A 43 11.382 -1.084 -3.926 1.00 0.00 C ATOM 711 C ALA A 43 12.695 -0.880 -4.729 1.00 0.00 C ATOM 712 O ALA A 43 13.801 -0.919 -4.193 1.00 0.00 O ATOM 713 CB ALA A 43 10.354 0.017 -4.209 1.00 0.00 C ATOM 0 H ALA A 43 11.180 -0.456 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 43 10.994 -2.037 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.213 0.115 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.404 -0.243 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.712 0.963 -3.802 1.00 0.00 H new ATOM 719 N GLU A 44 12.561 -0.729 -6.047 1.00 0.00 N ATOM 720 CA GLU A 44 13.611 -0.807 -7.069 1.00 0.00 C ATOM 721 C GLU A 44 14.565 0.405 -7.028 1.00 0.00 C ATOM 722 O GLU A 44 14.409 1.383 -7.755 1.00 0.00 O ATOM 723 CB GLU A 44 12.907 -1.019 -8.426 1.00 0.00 C ATOM 724 CG GLU A 44 13.737 -1.777 -9.468 1.00 0.00 C ATOM 725 CD GLU A 44 12.810 -2.306 -10.574 1.00 0.00 C ATOM 726 OE1 GLU A 44 12.099 -3.299 -10.295 1.00 0.00 O ATOM 727 OE2 GLU A 44 12.759 -1.686 -11.657 1.00 0.00 O ATOM 0 H GLU A 44 11.649 -0.535 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 44 14.276 -1.650 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.978 -1.563 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.637 -0.046 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.493 -1.118 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.266 -2.604 -8.995 1.00 0.00 H new ATOM 734 N GLY A 45 15.536 0.383 -6.107 1.00 0.00 N ATOM 735 CA GLY A 45 16.516 1.467 -5.904 1.00 0.00 C ATOM 736 C GLY A 45 15.945 2.756 -5.286 1.00 0.00 C ATOM 737 O GLY A 45 16.680 3.708 -5.043 1.00 0.00 O ATOM 0 H GLY A 45 15.669 -0.401 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.315 1.098 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.967 1.712 -6.865 1.00 0.00 H new ATOM 741 N TYR A 46 14.642 2.780 -5.014 1.00 0.00 N ATOM 742 CA TYR A 46 13.865 3.935 -4.579 1.00 0.00 C ATOM 743 C TYR A 46 14.020 4.184 -3.067 1.00 0.00 C ATOM 744 O TYR A 46 13.803 3.290 -2.250 1.00 0.00 O ATOM 745 CB TYR A 46 12.418 3.677 -5.033 1.00 0.00 C ATOM 746 CG TYR A 46 11.469 4.854 -4.908 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.951 5.200 -3.649 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.074 5.571 -6.053 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.963 6.197 -3.552 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.090 6.576 -5.959 1.00 0.00 C ATOM 751 CZ TYR A 46 9.512 6.867 -4.709 1.00 0.00 C ATOM 752 OH TYR A 46 8.513 7.779 -4.614 1.00 0.00 O ATOM 0 H TYR A 46 14.067 1.942 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 46 14.222 4.861 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.435 3.357 -6.075 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.017 2.847 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.309 4.703 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.527 5.350 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.548 6.451 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.782 7.119 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 46 8.322 8.149 -5.501 1.00 0.00 H new ATOM 762 N SER A 47 14.433 5.399 -2.698 1.00 0.00 N ATOM 763 CA SER A 47 14.738 5.814 -1.322 1.00 0.00 C ATOM 764 C SER A 47 13.511 6.357 -0.571 1.00 0.00 C ATOM 765 O SER A 47 13.051 7.467 -0.840 1.00 0.00 O ATOM 766 CB SER A 47 15.865 6.852 -1.324 1.00 0.00 C ATOM 767 OG SER A 47 15.510 7.967 -2.112 1.00 0.00 O ATOM 0 H SER A 47 14.570 6.151 -3.373 1.00 0.00 H new ATOM 0 HA SER A 47 15.060 4.921 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.074 7.173 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.780 6.403 -1.710 1.00 0.00 H new ATOM 0 HG SER A 47 14.555 8.157 -1.999 1.00 0.00 H new ATOM 773 N TYR A 48 13.010 5.563 0.372 1.00 0.00 N ATOM 774 CA TYR A 48 11.924 5.846 1.317 1.00 0.00 C ATOM 775 C TYR A 48 12.352 6.763 2.475 1.00 0.00 C ATOM 776 O TYR A 48 13.528 7.111 2.601 1.00 0.00 O ATOM 777 CB TYR A 48 11.488 4.502 1.911 1.00 0.00 C ATOM 778 CG TYR A 48 10.916 3.522 0.916 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.757 2.784 0.057 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.536 3.279 0.919 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.215 1.798 -0.777 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.993 2.259 0.121 1.00 0.00 C ATOM 783 CZ TYR A 48 9.839 1.501 -0.710 1.00 0.00 C ATOM 784 OH TYR A 48 9.367 0.446 -1.409 1.00 0.00 O ATOM 0 H TYR A 48 13.383 4.624 0.509 1.00 0.00 H new ATOM 0 HA TYR A 48 11.128 6.360 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.347 4.042 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.743 4.688 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.819 2.979 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.886 3.880 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.850 1.266 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.932 2.057 0.145 1.00 0.00 H new ATOM 0 HH TYR A 48 8.979 -0.209 -0.791 1.00 0.00 H new ATOM 794 N THR A 49 11.421 7.113 3.370 1.00 0.00 N ATOM 795 CA THR A 49 11.770 7.717 4.668 1.00 0.00 C ATOM 796 C THR A 49 12.627 6.800 5.548 1.00 0.00 C ATOM 797 O THR A 49 12.435 5.582 5.582 1.00 0.00 O ATOM 798 CB THR A 49 10.533 8.132 5.483 1.00 0.00 C ATOM 799 OG1 THR A 49 9.657 7.066 5.770 1.00 0.00 O ATOM 800 CG2 THR A 49 9.736 9.237 4.800 1.00 0.00 C ATOM 0 H THR A 49 10.419 6.990 3.222 1.00 0.00 H new ATOM 0 HA THR A 49 12.348 8.602 4.401 1.00 0.00 H new ATOM 0 HB THR A 49 10.946 8.498 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.389 6.629 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.873 9.495 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.368 10.116 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.397 8.891 3.824 1.00 0.00 H new ATOM 808 N ASP A 50 13.502 7.403 6.364 1.00 0.00 N ATOM 809 CA ASP A 50 14.174 6.719 7.482 1.00 0.00 C ATOM 810 C ASP A 50 13.154 6.090 8.438 1.00 0.00 C ATOM 811 O ASP A 50 13.289 4.922 8.782 1.00 0.00 O ATOM 812 CB ASP A 50 15.104 7.673 8.244 1.00 0.00 C ATOM 813 CG ASP A 50 15.761 6.948 9.426 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.750 6.219 9.191 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.229 7.077 10.553 1.00 0.00 O ATOM 0 H ASP A 50 13.766 8.384 6.268 1.00 0.00 H new ATOM 0 HA ASP A 50 14.783 5.922 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.872 8.057 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.538 8.532 8.605 1.00 0.00 H new ATOM 820 N ALA A 51 12.070 6.800 8.769 1.00 0.00 N ATOM 821 CA ALA A 51 10.977 6.258 9.574 1.00 0.00 C ATOM 822 C ALA A 51 10.424 4.918 9.039 1.00 0.00 C ATOM 823 O ALA A 51 9.995 4.090 9.841 1.00 0.00 O ATOM 824 CB ALA A 51 9.878 7.325 9.692 1.00 0.00 C ATOM 0 H ALA A 51 11.928 7.769 8.484 1.00 0.00 H new ATOM 0 HA ALA A 51 11.369 6.019 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.055 6.935 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.285 8.215 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.513 7.583 8.698 1.00 0.00 H new ATOM 830 N ASN A 52 10.449 4.685 7.720 1.00 0.00 N ATOM 831 CA ASN A 52 10.053 3.436 7.057 1.00 0.00 C ATOM 832 C ASN A 52 11.194 2.400 6.936 1.00 0.00 C ATOM 833 O ASN A 52 11.003 1.212 7.189 1.00 0.00 O ATOM 834 CB ASN A 52 9.478 3.826 5.694 1.00 0.00 C ATOM 835 CG ASN A 52 8.777 2.706 4.956 1.00 0.00 C ATOM 836 OD1 ASN A 52 8.854 1.536 5.291 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.028 3.048 3.939 1.00 0.00 N ATOM 0 H ASN A 52 10.760 5.394 7.056 1.00 0.00 H new ATOM 0 HA ASN A 52 9.309 2.923 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.774 4.646 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.287 4.203 5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.508 2.336 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.964 4.027 3.659 1.00 0.00 H new ATOM 844 N ILE A 53 12.421 2.829 6.662 1.00 0.00 N ATOM 845 CA ILE A 53 13.607 1.956 6.719 1.00 0.00 C ATOM 846 C ILE A 53 13.787 1.383 8.135 1.00 0.00 C ATOM 847 O ILE A 53 13.937 0.179 8.326 1.00 0.00 O ATOM 848 CB ILE A 53 14.836 2.749 6.244 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.689 3.144 4.753 1.00 0.00 C ATOM 850 CG2 ILE A 53 16.137 1.953 6.450 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.628 4.272 4.308 1.00 0.00 C ATOM 0 H ILE A 53 12.631 3.790 6.393 1.00 0.00 H new ATOM 0 HA ILE A 53 13.478 1.102 6.054 1.00 0.00 H new ATOM 0 HB ILE A 53 14.893 3.654 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.876 2.265 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.659 3.450 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.984 2.545 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.262 1.727 7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.088 1.023 5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.462 4.488 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.427 5.167 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.663 3.964 4.457 1.00 0.00 H new ATOM 863 N LYS A 54 13.675 2.230 9.158 1.00 0.00 N ATOM 864 CA LYS A 54 13.596 1.873 10.578 1.00 0.00 C ATOM 865 C LYS A 54 12.211 1.358 10.998 1.00 0.00 C ATOM 866 O LYS A 54 12.025 1.058 12.178 1.00 0.00 O ATOM 867 CB LYS A 54 14.055 3.073 11.426 1.00 0.00 C ATOM 868 CG LYS A 54 15.476 3.532 11.038 1.00 0.00 C ATOM 869 CD LYS A 54 16.108 4.493 12.059 1.00 0.00 C ATOM 870 CE LYS A 54 17.062 3.806 13.039 1.00 0.00 C ATOM 871 NZ LYS A 54 16.408 2.696 13.772 1.00 0.00 N ATOM 0 H LYS A 54 13.635 3.239 9.012 1.00 0.00 H new ATOM 0 HA LYS A 54 14.267 1.033 10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.357 3.900 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.035 2.802 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.116 2.656 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.439 4.021 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.650 5.273 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.315 4.985 12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.924 3.421 12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.437 4.539 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.064 2.316 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.552 3.049 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.149 1.943 13.103 1.00 0.00 H new ATOM 885 N LYS A 55 11.261 1.214 10.059 1.00 0.00 N ATOM 886 CA LYS A 55 10.049 0.381 10.228 1.00 0.00 C ATOM 887 C LYS A 55 10.310 -1.082 9.867 1.00 0.00 C ATOM 888 O LYS A 55 9.986 -1.936 10.685 1.00 0.00 O ATOM 889 CB LYS A 55 8.851 0.932 9.426 1.00 0.00 C ATOM 890 CG LYS A 55 7.492 0.296 9.746 1.00 0.00 C ATOM 891 CD LYS A 55 6.780 0.941 10.940 1.00 0.00 C ATOM 892 CE LYS A 55 7.049 0.271 12.285 1.00 0.00 C ATOM 893 NZ LYS A 55 6.570 1.156 13.373 1.00 0.00 N ATOM 0 H LYS A 55 11.309 1.675 9.151 1.00 0.00 H new ATOM 0 HA LYS A 55 9.790 0.426 11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.781 2.005 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.054 0.797 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.850 0.369 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.635 -0.765 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.082 1.986 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.706 0.931 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.541 -0.692 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.115 0.076 12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.147 0.580 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.370 1.697 13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.857 1.813 12.997 1.00 0.00 H new ATOM 907 N ASN A 56 10.822 -1.333 8.654 1.00 0.00 N ATOM 908 CA ASN A 56 11.014 -2.629 7.980 1.00 0.00 C ATOM 909 C ASN A 56 9.899 -3.651 8.291 1.00 0.00 C ATOM 910 O ASN A 56 10.147 -4.806 8.625 1.00 0.00 O ATOM 911 CB ASN A 56 12.480 -3.098 8.167 1.00 0.00 C ATOM 912 CG ASN A 56 13.208 -3.394 6.858 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.829 -4.427 6.660 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.189 -2.500 5.898 1.00 0.00 N ATOM 0 H ASN A 56 11.142 -0.565 8.064 1.00 0.00 H new ATOM 0 HA ASN A 56 10.885 -2.512 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.030 -2.330 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.488 -3.995 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.682 -2.680 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.681 -1.625 6.026 1.00 0.00 H new ATOM 921 N VAL A 57 8.647 -3.204 8.161 1.00 0.00 N ATOM 922 CA VAL A 57 7.439 -4.013 8.340 1.00 0.00 C ATOM 923 C VAL A 57 7.312 -5.022 7.214 1.00 0.00 C ATOM 924 O VAL A 57 7.299 -4.666 6.039 1.00 0.00 O ATOM 925 CB VAL A 57 6.198 -3.105 8.498 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.924 -3.578 7.795 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.903 -2.959 9.996 1.00 0.00 C ATOM 0 H VAL A 57 8.440 -2.235 7.920 1.00 0.00 H new ATOM 0 HA VAL A 57 7.514 -4.588 9.263 1.00 0.00 H new ATOM 0 HB VAL A 57 6.459 -2.165 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.122 -2.863 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.107 -3.655 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.635 -4.554 8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.030 -2.321 10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.707 -3.941 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.762 -2.510 10.494 1.00 0.00 H new ATOM 937 N LEU A 58 7.245 -6.295 7.584 1.00 0.00 N ATOM 938 CA LEU A 58 6.843 -7.373 6.693 1.00 0.00 C ATOM 939 C LEU A 58 5.373 -7.170 6.299 1.00 0.00 C ATOM 940 O LEU A 58 4.486 -7.269 7.136 1.00 0.00 O ATOM 941 CB LEU A 58 7.111 -8.716 7.392 1.00 0.00 C ATOM 942 CG LEU A 58 7.085 -9.923 6.436 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.804 -11.096 7.102 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.673 -10.393 6.078 1.00 0.00 C ATOM 0 H LEU A 58 7.472 -6.611 8.527 1.00 0.00 H new ATOM 0 HA LEU A 58 7.421 -7.372 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.083 -8.673 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.365 -8.865 8.173 1.00 0.00 H new ATOM 0 HG LEU A 58 7.572 -9.598 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.792 -11.957 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.836 -10.817 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.298 -11.352 8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.734 -11.246 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.146 -10.687 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.132 -9.582 5.591 1.00 0.00 H new ATOM 956 N TRP A 59 5.108 -6.826 5.046 1.00 0.00 N ATOM 957 CA TRP A 59 3.754 -6.636 4.522 1.00 0.00 C ATOM 958 C TRP A 59 2.924 -7.935 4.477 1.00 0.00 C ATOM 959 O TRP A 59 2.841 -8.603 3.446 1.00 0.00 O ATOM 960 CB TRP A 59 3.840 -5.950 3.156 1.00 0.00 C ATOM 961 CG TRP A 59 4.442 -4.574 3.151 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.504 -4.158 2.423 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.017 -3.417 3.931 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.729 -2.809 2.654 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.857 -2.316 3.597 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.016 -3.196 4.896 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.707 -1.054 4.188 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.857 -1.936 5.502 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.707 -0.868 5.156 1.00 0.00 C ATOM 0 H TRP A 59 5.837 -6.668 4.350 1.00 0.00 H new ATOM 0 HA TRP A 59 3.210 -5.993 5.214 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.424 -6.584 2.489 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.835 -5.888 2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.088 -4.782 1.762 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.447 -2.255 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.359 -4.007 5.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.352 -0.236 3.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.079 -1.787 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.590 0.093 5.635 1.00 0.00 H new ATOM 980 N ASP A 60 2.279 -8.256 5.597 1.00 0.00 N ATOM 981 CA ASP A 60 1.120 -9.157 5.685 1.00 0.00 C ATOM 982 C ASP A 60 -0.159 -8.427 5.210 1.00 0.00 C ATOM 983 O ASP A 60 -0.219 -7.193 5.261 1.00 0.00 O ATOM 984 CB ASP A 60 0.885 -9.597 7.146 1.00 0.00 C ATOM 985 CG ASP A 60 2.131 -9.980 7.955 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.524 -11.163 7.874 1.00 0.00 O ATOM 987 OD2 ASP A 60 2.620 -9.118 8.726 1.00 0.00 O ATOM 0 H ASP A 60 2.556 -7.884 6.505 1.00 0.00 H new ATOM 0 HA ASP A 60 1.327 -10.023 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.375 -8.787 7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.207 -10.450 7.140 1.00 0.00 H new ATOM 992 N GLU A 61 -1.239 -9.136 4.852 1.00 0.00 N ATOM 993 CA GLU A 61 -2.543 -8.507 4.560 1.00 0.00 C ATOM 994 C GLU A 61 -3.061 -7.649 5.736 1.00 0.00 C ATOM 995 O GLU A 61 -3.472 -6.497 5.550 1.00 0.00 O ATOM 996 CB GLU A 61 -3.598 -9.560 4.166 1.00 0.00 C ATOM 997 CG GLU A 61 -3.372 -10.257 2.806 1.00 0.00 C ATOM 998 CD GLU A 61 -2.568 -11.572 2.871 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.693 -11.669 3.763 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.839 -12.456 2.020 1.00 0.00 O ATOM 0 H GLU A 61 -1.238 -10.151 4.756 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.379 -7.841 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.631 -10.323 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.576 -9.079 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.343 -10.465 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.854 -9.565 2.142 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.028 -8.194 6.957 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.363 -7.499 8.201 1.00 0.00 C ATOM 1009 C ASN A 62 -2.428 -6.292 8.480 1.00 0.00 C ATOM 1010 O ASN A 62 -2.887 -5.169 8.665 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.409 -8.554 9.326 1.00 0.00 C ATOM 1012 CG ASN A 62 -2.121 -9.345 9.474 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -1.138 -8.862 9.995 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.045 -10.550 8.957 1.00 0.00 N ATOM 0 H ASN A 62 -2.758 -9.166 7.110 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.345 -7.032 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.630 -8.056 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.229 -9.245 9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.167 -11.068 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.864 -10.968 8.516 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.112 -6.487 8.432 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.058 -5.509 8.724 1.00 0.00 C ATOM 1023 C ASN A 63 -0.032 -4.319 7.742 1.00 0.00 C ATOM 1024 O ASN A 63 0.079 -3.158 8.144 1.00 0.00 O ATOM 1025 CB ASN A 63 1.237 -6.335 8.705 1.00 0.00 C ATOM 1026 CG ASN A 63 2.430 -5.728 9.402 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.534 -4.530 9.628 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.365 -6.565 9.772 1.00 0.00 N ATOM 0 H ASN A 63 -0.724 -7.393 8.171 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.218 -5.018 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.031 -7.304 9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.507 -6.523 7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.195 -6.222 10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.264 -7.561 9.577 1.00 0.00 H new ATOM 1035 N MET A 64 -0.245 -4.577 6.445 1.00 0.00 N ATOM 1036 CA MET A 64 -0.475 -3.518 5.456 1.00 0.00 C ATOM 1037 C MET A 64 -1.779 -2.740 5.713 1.00 0.00 C ATOM 1038 O MET A 64 -1.825 -1.529 5.494 1.00 0.00 O ATOM 1039 CB MET A 64 -0.464 -4.110 4.038 1.00 0.00 C ATOM 1040 CG MET A 64 -0.217 -3.028 2.979 1.00 0.00 C ATOM 1041 SD MET A 64 -0.414 -3.579 1.261 1.00 0.00 S ATOM 1042 CE MET A 64 -2.204 -3.832 1.235 1.00 0.00 C ATOM 0 H MET A 64 -0.263 -5.519 6.055 1.00 0.00 H new ATOM 0 HA MET A 64 0.339 -2.800 5.554 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.311 -4.873 3.967 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.416 -4.603 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.902 -2.200 3.160 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.793 -2.639 3.107 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.548 -3.895 0.202 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.448 -4.758 1.756 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.697 -2.996 1.731 1.00 0.00 H new ATOM 1052 N SER A 65 -2.848 -3.405 6.176 1.00 0.00 N ATOM 1053 CA SER A 65 -4.101 -2.725 6.537 1.00 0.00 C ATOM 1054 C SER A 65 -4.067 -1.939 7.858 1.00 0.00 C ATOM 1055 O SER A 65 -4.787 -0.946 7.952 1.00 0.00 O ATOM 1056 CB SER A 65 -5.349 -3.607 6.396 1.00 0.00 C ATOM 1057 OG SER A 65 -5.237 -4.916 6.902 1.00 0.00 O ATOM 0 H SER A 65 -2.870 -4.416 6.310 1.00 0.00 H new ATOM 0 HA SER A 65 -4.190 -1.954 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.179 -3.113 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.610 -3.668 5.339 1.00 0.00 H new ATOM 0 HG SER A 65 -4.543 -5.400 6.407 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.177 -2.242 8.811 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.867 -1.360 9.962 1.00 0.00 C ATOM 1065 C GLU A 66 -2.227 -0.045 9.486 1.00 0.00 C ATOM 1066 O GLU A 66 -2.710 1.050 9.782 1.00 0.00 O ATOM 1067 CB GLU A 66 -1.951 -2.087 10.970 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.534 -1.237 12.188 1.00 0.00 C ATOM 1069 CD GLU A 66 -2.704 -0.911 13.128 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.567 -0.087 12.731 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -2.725 -1.492 14.236 1.00 0.00 O ATOM 0 H GLU A 66 -2.643 -3.111 8.812 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.801 -1.114 10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.462 -2.982 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.052 -2.419 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.764 -1.769 12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.088 -0.306 11.838 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.193 -0.142 8.641 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.585 1.021 7.988 1.00 0.00 C ATOM 1080 C TYR A 67 -1.610 1.849 7.199 1.00 0.00 C ATOM 1081 O TYR A 67 -1.606 3.073 7.281 1.00 0.00 O ATOM 1082 CB TYR A 67 0.575 0.568 7.092 1.00 0.00 C ATOM 1083 CG TYR A 67 1.319 1.689 6.388 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.831 2.760 7.139 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.520 1.656 4.993 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.548 3.796 6.515 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.266 2.673 4.366 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.792 3.739 5.128 1.00 0.00 C ATOM 1089 OH TYR A 67 3.550 4.691 4.525 1.00 0.00 O ATOM 0 H TYR A 67 -0.755 -1.029 8.392 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.196 1.677 8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.285 0.006 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.186 -0.118 6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.672 2.788 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.102 0.852 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.910 4.632 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.436 2.637 3.300 1.00 0.00 H new ATOM 0 HH TYR A 67 3.617 4.497 3.567 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.537 1.208 6.481 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.656 1.901 5.833 1.00 0.00 C ATOM 1101 C LEU A 68 -4.704 2.450 6.820 1.00 0.00 C ATOM 1102 O LEU A 68 -5.514 3.272 6.407 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.308 0.974 4.796 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.413 0.704 3.571 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.941 -0.494 2.783 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.401 1.904 2.622 1.00 0.00 C ATOM 0 H LEU A 68 -2.534 0.199 6.333 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.239 2.778 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.556 0.025 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.246 1.417 4.461 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.407 0.512 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.299 -0.673 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.945 -1.377 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.956 -0.287 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.762 1.685 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.415 2.104 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.018 2.779 3.147 1.00 0.00 H new ATOM 1118 N THR A 69 -4.730 2.030 8.085 1.00 0.00 N ATOM 1119 CA THR A 69 -5.608 2.569 9.140 1.00 0.00 C ATOM 1120 C THR A 69 -5.051 3.850 9.769 1.00 0.00 C ATOM 1121 O THR A 69 -5.786 4.832 9.896 1.00 0.00 O ATOM 1122 CB THR A 69 -5.923 1.519 10.207 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.508 0.393 9.585 1.00 0.00 O ATOM 1124 CG2 THR A 69 -6.937 1.999 11.244 1.00 0.00 C ATOM 0 H THR A 69 -4.124 1.282 8.421 1.00 0.00 H new ATOM 0 HA THR A 69 -6.545 2.837 8.652 1.00 0.00 H new ATOM 0 HB THR A 69 -4.978 1.298 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.816 -0.117 9.114 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.116 1.207 11.971 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.546 2.879 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.873 2.253 10.747 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.764 3.875 10.147 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.094 5.070 10.684 1.00 0.00 C ATOM 1134 C ASN A 70 -1.635 5.215 10.177 1.00 0.00 C ATOM 1135 O ASN A 70 -0.677 5.012 10.939 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.209 5.064 12.222 1.00 0.00 C ATOM 1137 CG ASN A 70 -2.897 6.414 12.851 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.242 7.282 12.289 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.364 6.653 14.054 1.00 0.00 N ATOM 0 H ASN A 70 -3.154 3.060 10.088 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.599 5.959 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.218 4.764 12.503 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.529 4.315 12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.179 7.549 14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.912 5.942 14.539 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.420 5.637 8.912 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.089 5.630 8.299 1.00 0.00 C ATOM 1148 C PRO A 71 0.870 6.591 9.004 1.00 0.00 C ATOM 1149 O PRO A 71 2.023 6.253 9.265 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.299 5.990 6.821 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.658 6.693 6.791 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.429 6.058 7.948 1.00 0.00 C ATOM 0 HA PRO A 71 0.383 4.652 8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.494 6.642 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.298 5.100 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.553 7.770 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.167 6.538 5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.123 6.771 8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.021 5.209 7.605 1.00 0.00 H new ATOM 1160 N LYS A 72 0.360 7.778 9.362 1.00 0.00 N ATOM 1161 CA LYS A 72 1.099 8.856 10.035 1.00 0.00 C ATOM 1162 C LYS A 72 1.474 8.565 11.494 1.00 0.00 C ATOM 1163 O LYS A 72 2.294 9.301 12.038 1.00 0.00 O ATOM 1164 CB LYS A 72 0.321 10.187 9.906 1.00 0.00 C ATOM 1165 CG LYS A 72 1.117 11.306 9.204 1.00 0.00 C ATOM 1166 CD LYS A 72 1.495 11.027 7.737 1.00 0.00 C ATOM 1167 CE LYS A 72 0.296 10.711 6.833 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.576 11.882 6.561 1.00 0.00 N ATOM 0 H LYS A 72 -0.614 8.023 9.184 1.00 0.00 H new ATOM 0 HA LYS A 72 2.056 8.935 9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.600 10.007 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.034 10.527 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.531 12.224 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.031 11.488 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.020 11.894 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.192 10.189 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.662 10.315 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.300 9.926 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.416 11.574 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.872 12.311 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.051 12.583 6.000 1.00 0.00 H new ATOM 1182 N LYS A 73 0.916 7.526 12.136 1.00 0.00 N ATOM 1183 CA LYS A 73 1.348 7.065 13.469 1.00 0.00 C ATOM 1184 C LYS A 73 2.142 5.761 13.423 1.00 0.00 C ATOM 1185 O LYS A 73 3.124 5.644 14.152 1.00 0.00 O ATOM 1186 CB LYS A 73 0.139 6.974 14.413 1.00 0.00 C ATOM 1187 CG LYS A 73 0.503 6.831 15.901 1.00 0.00 C ATOM 1188 CD LYS A 73 1.236 8.064 16.459 1.00 0.00 C ATOM 1189 CE LYS A 73 1.446 7.923 17.970 1.00 0.00 C ATOM 1190 NZ LYS A 73 2.176 9.090 18.526 1.00 0.00 N ATOM 0 H LYS A 73 0.149 6.979 11.745 1.00 0.00 H new ATOM 0 HA LYS A 73 2.041 7.808 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.474 7.866 14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.473 6.122 14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.406 6.663 16.478 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.131 5.950 16.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.199 8.179 15.961 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.659 8.964 16.248 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.480 7.826 18.466 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.004 7.010 18.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.302 8.964 19.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.107 9.167 18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.631 9.957 18.348 1.00 0.00 H new ATOM 1204 N TYR A 74 1.759 4.805 12.573 1.00 0.00 N ATOM 1205 CA TYR A 74 2.468 3.533 12.374 1.00 0.00 C ATOM 1206 C TYR A 74 3.886 3.729 11.808 1.00 0.00 C ATOM 1207 O TYR A 74 4.832 3.063 12.244 1.00 0.00 O ATOM 1208 CB TYR A 74 1.620 2.644 11.456 1.00 0.00 C ATOM 1209 CG TYR A 74 1.989 1.175 11.501 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.760 0.445 12.683 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.507 0.524 10.363 1.00 0.00 C ATOM 1212 CE1 TYR A 74 2.071 -0.924 12.740 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.781 -0.857 10.405 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.579 -1.583 11.603 1.00 0.00 C ATOM 1215 OH TYR A 74 2.874 -2.907 11.690 1.00 0.00 O ATOM 0 H TYR A 74 0.928 4.894 11.989 1.00 0.00 H new ATOM 0 HA TYR A 74 2.601 3.051 13.343 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.571 2.752 11.732 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.719 3.001 10.431 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.344 0.939 13.549 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.694 1.084 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.920 -1.473 13.658 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.145 -1.362 9.523 1.00 0.00 H new ATOM 0 HH TYR A 74 2.469 -3.383 10.935 1.00 0.00 H new ATOM 1225 N ILE A 75 4.027 4.701 10.899 1.00 0.00 N ATOM 1226 CA ILE A 75 5.296 5.259 10.412 1.00 0.00 C ATOM 1227 C ILE A 75 5.300 6.776 10.706 1.00 0.00 C ATOM 1228 O ILE A 75 4.791 7.560 9.898 1.00 0.00 O ATOM 1229 CB ILE A 75 5.532 4.942 8.916 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.393 3.434 8.615 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.942 5.437 8.541 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.786 3.004 7.196 1.00 0.00 C ATOM 0 H ILE A 75 3.219 5.143 10.461 1.00 0.00 H new ATOM 0 HA ILE A 75 6.130 4.792 10.936 1.00 0.00 H new ATOM 0 HB ILE A 75 4.774 5.450 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.007 2.881 9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.358 3.140 8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.134 5.225 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.008 6.511 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.683 4.925 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.651 1.927 7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.156 3.521 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.830 3.258 7.015 1.00 0.00 H new ATOM 1244 N PRO A 76 5.802 7.221 11.877 1.00 0.00 N ATOM 1245 CA PRO A 76 5.683 8.612 12.326 1.00 0.00 C ATOM 1246 C PRO A 76 6.458 9.582 11.422 1.00 0.00 C ATOM 1247 O PRO A 76 7.676 9.687 11.522 1.00 0.00 O ATOM 1248 CB PRO A 76 6.169 8.624 13.780 1.00 0.00 C ATOM 1249 CG PRO A 76 7.131 7.440 13.843 1.00 0.00 C ATOM 1250 CD PRO A 76 6.506 6.431 12.879 1.00 0.00 C ATOM 0 HA PRO A 76 4.653 8.965 12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.668 9.561 14.029 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.342 8.507 14.481 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.138 7.722 13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.209 7.037 14.853 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.271 5.806 12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.821 5.763 13.402 1.00 0.00 H new ATOM 1258 N GLY A 77 5.748 10.255 10.507 1.00 0.00 N ATOM 1259 CA GLY A 77 6.347 11.141 9.499 1.00 0.00 C ATOM 1260 C GLY A 77 6.547 10.545 8.093 1.00 0.00 C ATOM 1261 O GLY A 77 7.274 11.137 7.298 1.00 0.00 O ATOM 0 H GLY A 77 4.731 10.199 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.719 12.028 9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.317 11.474 9.870 1.00 0.00 H new ATOM 1265 N THR A 78 5.921 9.410 7.748 1.00 0.00 N ATOM 1266 CA THR A 78 5.983 8.838 6.381 1.00 0.00 C ATOM 1267 C THR A 78 5.670 9.860 5.276 1.00 0.00 C ATOM 1268 O THR A 78 4.703 10.625 5.361 1.00 0.00 O ATOM 1269 CB THR A 78 5.076 7.603 6.219 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.104 7.130 4.890 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.607 7.826 6.579 1.00 0.00 C ATOM 0 H THR A 78 5.359 8.861 8.399 1.00 0.00 H new ATOM 0 HA THR A 78 7.021 8.528 6.259 1.00 0.00 H new ATOM 0 HB THR A 78 5.490 6.884 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.570 6.311 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.052 6.900 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.531 8.133 7.622 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.190 8.604 5.940 1.00 0.00 H new ATOM 1279 N LYS A 79 6.438 9.809 4.176 1.00 0.00 N ATOM 1280 CA LYS A 79 6.199 10.564 2.933 1.00 0.00 C ATOM 1281 C LYS A 79 4.901 10.165 2.224 1.00 0.00 C ATOM 1282 O LYS A 79 4.495 10.869 1.292 1.00 0.00 O ATOM 1283 CB LYS A 79 7.419 10.410 1.997 1.00 0.00 C ATOM 1284 CG LYS A 79 8.382 11.607 2.039 1.00 0.00 C ATOM 1285 CD LYS A 79 8.403 12.439 0.741 1.00 0.00 C ATOM 1286 CE LYS A 79 7.073 13.109 0.354 1.00 0.00 C ATOM 1287 NZ LYS A 79 6.194 12.242 -0.476 1.00 0.00 N ATOM 0 H LYS A 79 7.270 9.222 4.125 1.00 0.00 H new ATOM 0 HA LYS A 79 6.074 11.612 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.964 9.506 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.067 10.273 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.104 12.255 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.389 11.243 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.163 13.214 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.714 11.791 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.540 13.392 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.283 14.029 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.728 12.818 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.766 11.502 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.473 11.799 0.128 1.00 0.00 H new ATOM 1301 N MET A 80 4.234 9.091 2.647 1.00 0.00 N ATOM 1302 CA MET A 80 2.857 8.766 2.297 1.00 0.00 C ATOM 1303 C MET A 80 1.903 9.784 2.929 1.00 0.00 C ATOM 1304 O MET A 80 1.380 9.567 4.017 1.00 0.00 O ATOM 1305 CB MET A 80 2.551 7.319 2.717 1.00 0.00 C ATOM 1306 CG MET A 80 1.114 6.924 2.373 1.00 0.00 C ATOM 1307 SD MET A 80 0.869 5.172 1.961 1.00 0.00 S ATOM 1308 CE MET A 80 -0.876 4.977 2.370 1.00 0.00 C ATOM 0 H MET A 80 4.657 8.399 3.266 1.00 0.00 H new ATOM 0 HA MET A 80 2.714 8.828 1.218 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.244 6.641 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.712 7.209 3.789 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.473 7.175 3.218 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.780 7.529 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.162 3.931 2.257 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.045 5.290 3.400 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.478 5.592 1.700 1.00 0.00 H new ATOM 1318 N ALA A 81 1.638 10.903 2.249 1.00 0.00 N ATOM 1319 CA ALA A 81 0.817 11.986 2.805 1.00 0.00 C ATOM 1320 C ALA A 81 -0.657 11.634 3.102 1.00 0.00 C ATOM 1321 O ALA A 81 -1.363 12.417 3.734 1.00 0.00 O ATOM 1322 CB ALA A 81 0.943 13.227 1.916 1.00 0.00 C ATOM 0 H ALA A 81 1.982 11.085 1.306 1.00 0.00 H new ATOM 0 HA ALA A 81 1.222 12.187 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.334 14.032 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.985 13.543 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.599 12.990 0.909 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.078 10.432 2.715 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.410 9.830 2.876 1.00 0.00 C ATOM 1330 C PHE A 82 -2.938 9.847 4.327 1.00 0.00 C ATOM 1331 O PHE A 82 -2.181 9.985 5.290 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.356 8.396 2.314 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.685 7.658 2.239 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.712 8.131 1.399 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.896 6.483 2.989 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.939 7.445 1.324 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.110 5.781 2.890 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.141 6.274 2.074 1.00 0.00 C ATOM 0 H PHE A 82 -0.442 9.793 2.237 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.124 10.438 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.928 8.436 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.673 7.811 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.558 9.023 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.119 6.119 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.727 7.820 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.250 4.863 3.441 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.087 5.755 2.023 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.255 9.689 4.489 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.956 9.790 5.777 1.00 0.00 C ATOM 1350 C GLY A 83 -5.401 8.456 6.384 1.00 0.00 C ATOM 1351 O GLY A 83 -5.317 8.291 7.599 1.00 0.00 O ATOM 0 H GLY A 83 -4.881 9.482 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.303 10.295 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.834 10.422 5.646 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.892 7.524 5.562 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.289 6.171 5.968 1.00 0.00 C ATOM 1357 C GLY A 84 -7.682 5.710 5.505 1.00 0.00 C ATOM 1358 O GLY A 84 -8.547 6.508 5.140 1.00 0.00 O ATOM 0 H GLY A 84 -6.029 7.694 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.550 5.467 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.252 6.114 7.056 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.924 4.400 5.583 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.186 3.694 5.379 1.00 0.00 C ATOM 1364 C LEU A 85 -9.728 3.155 6.717 1.00 0.00 C ATOM 1365 O LEU A 85 -9.037 2.445 7.442 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.959 2.532 4.392 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.589 2.922 2.947 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.518 1.659 2.083 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.609 3.871 2.312 1.00 0.00 C ATOM 0 H LEU A 85 -7.172 3.750 5.811 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.922 4.386 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.166 1.897 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.866 1.928 4.361 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.628 3.434 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.257 1.932 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.760 0.986 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.487 1.159 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.298 4.112 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.587 3.391 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.669 4.787 2.900 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.979 3.511 7.045 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.633 3.220 8.344 1.00 0.00 C ATOM 1383 C LYS A 86 -12.932 2.406 8.240 1.00 0.00 C ATOM 1384 O LYS A 86 -13.544 2.086 9.251 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.847 4.533 9.122 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.527 5.266 9.430 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.772 6.555 10.226 1.00 0.00 C ATOM 1388 CE LYS A 86 -9.437 7.267 10.483 1.00 0.00 C ATOM 1389 NZ LYS A 86 -9.623 8.556 11.203 1.00 0.00 N ATOM 0 H LYS A 86 -11.585 4.022 6.403 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.952 2.570 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.496 5.191 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.364 4.316 10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.867 4.608 9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.016 5.505 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.445 7.212 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.259 6.322 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.785 6.616 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.935 7.451 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.697 9.005 11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.224 9.187 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.078 8.378 12.121 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.349 2.058 7.019 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.405 1.077 6.735 1.00 0.00 C ATOM 1405 C LYS A 87 -13.788 -0.317 6.594 1.00 0.00 C ATOM 1406 O LYS A 87 -12.806 -0.494 5.874 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.118 1.453 5.426 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.067 2.653 5.536 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.660 2.950 4.150 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.630 4.134 4.204 1.00 0.00 C ATOM 1411 NZ LYS A 87 -18.228 4.400 2.871 1.00 0.00 N ATOM 0 H LYS A 87 -12.949 2.463 6.173 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.124 1.075 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.366 1.670 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.684 0.590 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.864 2.439 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.530 3.525 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.856 3.167 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.180 2.067 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.421 3.927 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.104 5.023 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.881 5.207 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.474 4.620 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.749 3.559 2.550 1.00 0.00 H new ATOM 1425 N GLU A 88 -14.420 -1.311 7.209 1.00 0.00 N ATOM 1426 CA GLU A 88 -14.003 -2.721 7.158 1.00 0.00 C ATOM 1427 C GLU A 88 -14.029 -3.281 5.729 1.00 0.00 C ATOM 1428 O GLU A 88 -13.023 -3.750 5.208 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.920 -3.558 8.071 1.00 0.00 C ATOM 1430 CG GLU A 88 -15.029 -3.041 9.512 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.687 -3.146 10.238 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.807 -2.300 9.967 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -13.546 -4.121 11.016 1.00 0.00 O ATOM 0 H GLU A 88 -15.257 -1.162 7.772 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.972 -2.779 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.918 -3.588 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.551 -4.583 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.362 -2.003 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.783 -3.614 10.051 1.00 0.00 H new ATOM 1440 N LYS A 89 -15.198 -3.211 5.079 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.470 -3.756 3.742 1.00 0.00 C ATOM 1442 C LYS A 89 -14.549 -3.179 2.669 1.00 0.00 C ATOM 1443 O LYS A 89 -14.004 -3.930 1.873 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.951 -3.546 3.391 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.884 -4.015 4.518 1.00 0.00 C ATOM 1446 CD LYS A 89 -19.299 -4.372 4.032 1.00 0.00 C ATOM 1447 CE LYS A 89 -20.159 -4.900 5.193 1.00 0.00 C ATOM 1448 NZ LYS A 89 -21.558 -5.192 4.774 1.00 0.00 N ATOM 0 H LYS A 89 -16.014 -2.754 5.487 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.258 -4.825 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.129 -2.490 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.187 -4.089 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.445 -4.886 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.954 -3.231 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.771 -3.492 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.239 -5.125 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.706 -5.806 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.169 -4.165 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.098 -5.545 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.002 -4.323 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.553 -5.913 4.024 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.385 -1.859 2.725 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.506 -1.026 1.872 1.00 0.00 C ATOM 1464 C ASP A 90 -12.061 -1.544 1.920 1.00 0.00 C ATOM 1465 O ASP A 90 -11.540 -1.972 0.891 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.610 0.450 2.321 1.00 0.00 C ATOM 1467 CG ASP A 90 -12.944 1.527 1.439 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -11.923 1.250 0.786 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.421 2.690 1.478 1.00 0.00 O ATOM 0 H ASP A 90 -14.891 -1.295 3.408 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.830 -1.090 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.668 0.698 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.181 0.525 3.320 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.466 -1.639 3.126 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.143 -2.262 3.318 1.00 0.00 C ATOM 1476 C ARG A 91 -10.085 -3.675 2.740 1.00 0.00 C ATOM 1477 O ARG A 91 -9.107 -4.027 2.096 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.731 -2.360 4.797 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.402 -1.057 5.542 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.595 -1.441 6.797 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.721 -0.522 7.940 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.652 -0.567 8.873 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.839 -1.037 8.618 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.381 -0.184 10.085 1.00 0.00 N ATOM 0 H ARG A 91 -11.886 -1.289 3.987 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.454 -1.602 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.537 -2.858 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.858 -3.009 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.827 -0.385 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.316 -0.531 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.906 -2.435 7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.542 -1.510 6.523 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.024 0.218 8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.062 -1.379 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.546 -1.064 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.446 0.152 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.103 -0.220 10.805 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.087 -4.510 2.995 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.139 -5.903 2.573 1.00 0.00 C ATOM 1500 C ASN A 92 -11.248 -6.048 1.031 1.00 0.00 C ATOM 1501 O ASN A 92 -10.594 -6.915 0.448 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.248 -6.524 3.443 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.979 -7.688 2.842 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.826 -8.836 3.227 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.881 -7.380 1.946 1.00 0.00 N ATOM 0 H ASN A 92 -11.914 -4.224 3.520 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.219 -6.463 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.806 -6.845 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.975 -5.747 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.477 -8.108 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.988 -6.412 1.642 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.966 -5.159 0.337 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.911 -5.012 -1.128 1.00 0.00 C ATOM 1514 C ASP A 93 -10.539 -4.539 -1.627 1.00 0.00 C ATOM 1515 O ASP A 93 -9.989 -5.135 -2.555 1.00 0.00 O ATOM 1516 CB ASP A 93 -12.970 -4.013 -1.615 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.364 -4.604 -1.757 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.540 -5.681 -2.385 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.336 -3.918 -1.378 1.00 0.00 O ATOM 0 H ASP A 93 -12.614 -4.509 0.782 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.104 -6.005 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.011 -3.176 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.658 -3.611 -2.579 1.00 0.00 H new ATOM 1524 N LEU A 94 -9.983 -3.480 -1.026 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.671 -2.911 -1.360 1.00 0.00 C ATOM 1526 C LEU A 94 -7.564 -3.971 -1.258 1.00 0.00 C ATOM 1527 O LEU A 94 -6.796 -4.158 -2.199 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.370 -1.693 -0.452 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.742 -0.469 -1.142 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.525 -0.793 -2.008 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.775 0.267 -1.995 1.00 0.00 C ATOM 0 H LEU A 94 -10.449 -2.979 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.696 -2.569 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.301 -1.380 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.701 -2.017 0.345 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.395 0.165 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.144 0.124 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.749 -1.244 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.814 -1.490 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.306 1.128 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.161 -0.406 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.595 0.605 -1.362 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.528 -4.722 -0.150 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.704 -5.921 0.056 1.00 0.00 C ATOM 1545 C ILE A 95 -6.940 -6.915 -1.083 1.00 0.00 C ATOM 1546 O ILE A 95 -5.977 -7.298 -1.739 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.989 -6.558 1.439 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.476 -5.659 2.589 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.354 -7.956 1.587 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.105 -6.027 3.941 1.00 0.00 C ATOM 0 H ILE A 95 -8.099 -4.500 0.666 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.652 -5.635 0.046 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.073 -6.658 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.392 -5.746 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.698 -4.617 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.584 -8.357 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.756 -8.621 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.273 -7.879 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.713 -5.368 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.187 -5.914 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.861 -7.061 4.186 1.00 0.00 H new ATOM 1562 N THR A 96 -8.192 -7.317 -1.346 1.00 0.00 N ATOM 1563 CA THR A 96 -8.511 -8.304 -2.395 1.00 0.00 C ATOM 1564 C THR A 96 -7.982 -7.882 -3.769 1.00 0.00 C ATOM 1565 O THR A 96 -7.397 -8.701 -4.472 1.00 0.00 O ATOM 1566 CB THR A 96 -10.019 -8.601 -2.478 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.509 -9.040 -1.231 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.332 -9.741 -3.452 1.00 0.00 C ATOM 0 H THR A 96 -9.009 -6.971 -0.843 1.00 0.00 H new ATOM 0 HA THR A 96 -8.001 -9.222 -2.102 1.00 0.00 H new ATOM 0 HB THR A 96 -10.481 -7.669 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.455 -8.307 -0.582 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.408 -9.914 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.985 -9.473 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.826 -10.649 -3.124 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.114 -6.610 -4.147 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.461 -6.049 -5.330 1.00 0.00 C ATOM 1578 C TYR A 97 -5.940 -6.167 -5.278 1.00 0.00 C ATOM 1579 O TYR A 97 -5.351 -6.760 -6.179 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.861 -4.584 -5.512 1.00 0.00 C ATOM 1581 CG TYR A 97 -6.906 -3.785 -6.385 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -6.796 -4.070 -7.758 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.041 -2.842 -5.793 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -5.860 -3.376 -8.551 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.077 -2.180 -6.574 1.00 0.00 C ATOM 1586 CZ TYR A 97 -4.999 -2.431 -7.960 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.083 -1.776 -8.715 1.00 0.00 O ATOM 0 H TYR A 97 -8.682 -5.934 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.801 -6.635 -6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.858 -4.542 -5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.923 -4.111 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.430 -4.822 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.119 -2.628 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.803 -3.569 -9.612 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.396 -1.480 -6.113 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.125 -0.816 -8.521 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.299 -5.570 -4.270 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.845 -5.424 -4.268 1.00 0.00 C ATOM 1599 C LEU A 98 -3.135 -6.769 -4.171 1.00 0.00 C ATOM 1600 O LEU A 98 -2.100 -6.956 -4.804 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.415 -4.458 -3.154 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.622 -3.260 -3.713 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.695 -2.075 -2.759 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.146 -3.585 -3.932 1.00 0.00 C ATOM 0 H LEU A 98 -5.763 -5.182 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.543 -4.995 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.297 -4.096 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.804 -4.991 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.080 -3.020 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.129 -1.240 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.735 -1.778 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.273 -2.358 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.635 -2.707 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.692 -3.874 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.056 -4.407 -4.642 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.753 -7.733 -3.483 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.352 -9.135 -3.580 1.00 0.00 C ATOM 1618 C LYS A 99 -3.510 -9.706 -5.003 1.00 0.00 C ATOM 1619 O LYS A 99 -2.538 -10.242 -5.529 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.017 -10.002 -2.491 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.432 -11.406 -2.674 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.596 -12.461 -1.576 1.00 0.00 C ATOM 1623 CE LYS A 99 -2.787 -13.585 -2.230 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.899 -14.940 -1.668 1.00 0.00 N ATOM 0 H LYS A 99 -4.536 -7.565 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.281 -9.171 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.803 -9.614 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.101 -10.011 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.864 -11.819 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.363 -11.289 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.184 -12.144 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.637 -12.733 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.075 -13.635 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.736 -13.299 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.352 -15.604 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.527 -14.945 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.898 -15.230 -1.658 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.659 -9.551 -5.674 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.847 -10.029 -7.067 1.00 0.00 C ATOM 1640 C LYS A 100 -3.944 -9.308 -8.082 1.00 0.00 C ATOM 1641 O LYS A 100 -3.829 -9.722 -9.229 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.335 -9.966 -7.477 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.906 -11.272 -8.074 1.00 0.00 C ATOM 1644 CD LYS A 100 -7.212 -11.273 -9.585 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.995 -11.285 -10.518 1.00 0.00 C ATOM 1646 NZ LYS A 100 -5.084 -12.416 -10.234 1.00 0.00 N ATOM 0 H LYS A 100 -5.482 -9.096 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.534 -11.073 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.926 -9.696 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.461 -9.166 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.198 -12.076 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.826 -11.515 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.826 -12.145 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.812 -10.392 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.333 -11.344 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.450 -10.347 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.187 -12.274 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.901 -12.466 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.524 -13.304 -10.551 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.319 -8.203 -7.680 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.328 -7.453 -8.442 1.00 0.00 C ATOM 1662 C ALA A 101 -0.872 -7.889 -8.157 1.00 0.00 C ATOM 1663 O ALA A 101 0.054 -7.341 -8.767 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.575 -5.964 -8.199 1.00 0.00 C ATOM 0 H ALA A 101 -3.501 -7.787 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.451 -7.671 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.846 -5.378 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.580 -5.703 -8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.475 -5.747 -7.135 1.00 0.00 H new ATOM 1670 N THR A 102 -0.651 -8.892 -7.290 1.00 0.00 N ATOM 1671 CA THR A 102 0.606 -9.665 -7.234 1.00 0.00 C ATOM 1672 C THR A 102 0.445 -11.149 -7.617 1.00 0.00 C ATOM 1673 O THR A 102 1.432 -11.744 -8.043 1.00 0.00 O ATOM 1674 CB THR A 102 1.331 -9.545 -5.886 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.637 -10.049 -6.051 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.704 -10.294 -4.711 1.00 0.00 C ATOM 0 H THR A 102 -1.343 -9.193 -6.603 1.00 0.00 H new ATOM 0 HA THR A 102 1.230 -9.199 -7.997 1.00 0.00 H new ATOM 0 HB THR A 102 1.281 -8.487 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.646 -10.699 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.304 -10.134 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.307 -9.924 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.667 -11.360 -4.937 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.762 -11.722 -7.493 1.00 0.00 N ATOM 1685 CA GLU A 103 -1.174 -13.055 -7.992 1.00 0.00 C ATOM 1686 C GLU A 103 -2.519 -12.996 -8.731 1.00 0.00 C ATOM 1687 O GLU A 103 -2.507 -12.937 -9.982 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.145 -14.159 -6.897 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.881 -13.869 -5.571 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.217 -15.127 -4.729 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.345 -15.633 -3.979 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.420 -15.441 -4.556 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.597 -12.942 -8.098 1.00 0.00 O ATOM 0 H GLU A 103 -1.526 -11.244 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.420 -13.352 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.568 -15.068 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.102 -14.373 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.267 -13.199 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.807 -13.339 -5.793 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.034 4.707 -0.380 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.223 3.518 0.541 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.221 1.515 -0.257 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.054 6.020 -1.157 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.522 7.847 -1.100 1.00 0.00 C HETATM 1706 NA HEC A 104 1.858 2.836 0.086 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.161 2.604 0.441 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.282 1.186 0.683 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.056 0.614 0.413 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.143 1.680 0.059 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.727 -0.857 0.486 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.531 0.475 1.146 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.576 0.297 0.043 1.00 0.00 C HETATM 1714 CGA HEC A 104 6.891 -0.305 0.552 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.596 -0.945 -0.255 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.269 -0.086 1.721 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.825 3.911 -0.627 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.102 2.578 -0.557 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.500 2.427 -0.897 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.043 3.692 -1.047 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.948 4.633 -0.940 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.191 1.106 -1.139 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.504 4.045 -1.298 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.415 3.551 -0.171 1.00 0.00 C HETATM 1725 NC HEC A 104 0.342 6.630 -0.954 1.00 0.00 N HETATM 1726 C1C HEC A 104 -0.966 6.900 -1.204 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.055 8.283 -1.609 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.234 8.779 -1.667 1.00 0.00 C HETATM 1729 C4C HEC A 104 1.122 7.727 -1.209 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.335 8.983 -2.013 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.663 10.105 -2.271 1.00 0.00 C HETATM 1732 CBC HEC A 104 0.349 11.294 -1.364 1.00 0.00 C HETATM 1733 ND HEC A 104 3.045 5.562 -0.268 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.371 6.838 -0.622 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.792 6.977 -0.395 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.248 5.787 0.121 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.140 4.866 0.151 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.649 8.201 -0.590 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.625 5.576 0.693 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.685 6.116 2.122 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.103 6.391 2.595 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.452 5.898 3.685 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.836 7.147 1.932 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.602 8.516 -1.632 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.285 9.006 0.049 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.681 7.968 -0.328 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.769 8.478 -2.876 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.042 8.956 -1.184 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.117 10.019 -2.271 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.711 0.592 -1.972 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -3.121 0.489 -0.243 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.240 1.282 -1.377 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.363 -1.407 -0.208 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.899 -1.218 1.500 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.681 -1.010 0.219 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.103 7.036 2.181 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.216 5.399 2.795 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.725 11.341 -1.184 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.871 11.175 -0.414 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.677 12.215 -1.845 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.336 2.467 -0.088 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.111 4.010 0.770 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.447 3.824 -0.391 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.167 -0.346 -0.737 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.780 1.265 -0.416 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.872 4.514 0.686 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.367 6.080 0.073 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 4.975 1.035 1.969 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.258 -0.505 1.538 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.976 8.789 -1.408 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.051 6.437 -1.298 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.622 0.502 -0.271 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.170 3.160 0.946 1.00 0.00 H new HETATM 0 H2A HEC A 104 7.774 0.753 1.750 1.00 0.00 H new