USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 603 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 14 HIS HE2 : A 14 HIS NE2 : A 80 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 44 TYR OH : rot 180:sc= 0.754 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 169:sc= 0.865 (180deg=-0.0235) USER MOD Set 1.3: A 57 MET CE :methyl 166:sc= -1.03 (180deg=-2.35) USER MOD Set 2.1: A 41 MET CE :methyl -129:sc= -3.46! (180deg=-5.62!) USER MOD Set 2.2: A 76 MET CE :methyl -177:sc= -0.804 (180deg=-0.461) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 173:sc= 0.868 (180deg=0.605) USER MOD Set 3.2: A 32 GLN : amide:sc= -2.1 X(o=0.97,f=1.1) USER MOD Set 3.3: A 40 LYS NZ :NH3+ 152:sc= 1.32 (180deg=0.634) USER MOD Set 3.4: A 49 TYR OH : rot -141:sc= 0.874 USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 173:sc= 0.747 (180deg=0.702) USER MOD Set 5.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.183 (180deg=0) USER MOD Single : A 7 TYR OH : rot 37:sc= 1.19 USER MOD Single : A 9 SER OG : rot -65:sc= 1.17 USER MOD Single : A 19 SER OG : rot -94:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -1.23 (180deg=-1.41) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= 0.939 (180deg=-0.0358) USER MOD Single : A 48 SER OG : rot -98:sc= 1.24 USER MOD Single : A 56 MET CE :methyl -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 59 ASN : amide:sc= 0.23 X(o=0.23,f=-0.057) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0.663 (180deg=0.638) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0413) USER MOD Single : A 65 SER OG : rot 83:sc= 1.15 USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 0.462 (180deg=0.156) USER MOD Single : A 77 SER OG : rot -37:sc= 1.43 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.748 -13.216 -9.150 1.00 0.00 N ATOM 2 CA ALA A 1 2.871 -13.764 -8.100 1.00 0.00 C ATOM 3 C ALA A 1 2.196 -12.613 -7.356 1.00 0.00 C ATOM 4 O ALA A 1 2.633 -11.473 -7.524 1.00 0.00 O ATOM 5 CB ALA A 1 3.666 -14.639 -7.126 1.00 0.00 C ATOM 0 H1 ALA A 1 3.377 -13.481 -10.085 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.779 -12.180 -9.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.708 -13.601 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 1 2.110 -14.391 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.997 -15.032 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.121 -15.467 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.446 -14.042 -6.654 1.00 0.00 H new ATOM 13 N ASP A 2 1.152 -12.908 -6.575 1.00 0.00 N ATOM 14 CA ASP A 2 0.422 -11.922 -5.786 1.00 0.00 C ATOM 15 C ASP A 2 1.382 -11.154 -4.878 1.00 0.00 C ATOM 16 O ASP A 2 2.436 -11.668 -4.505 1.00 0.00 O ATOM 17 CB ASP A 2 -0.661 -12.611 -4.943 1.00 0.00 C ATOM 18 CG ASP A 2 -1.676 -13.360 -5.799 1.00 0.00 C ATOM 19 OD1 ASP A 2 -1.269 -14.396 -6.370 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.826 -12.877 -5.876 1.00 0.00 O ATOM 0 H ASP A 2 0.788 -13.855 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.057 -11.218 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.189 -13.308 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.179 -11.864 -4.341 1.00 0.00 H new ATOM 25 N GLY A 3 1.029 -9.914 -4.537 1.00 0.00 N ATOM 26 CA GLY A 3 1.847 -9.044 -3.709 1.00 0.00 C ATOM 27 C GLY A 3 2.976 -8.460 -4.550 1.00 0.00 C ATOM 28 O GLY A 3 3.013 -7.264 -4.829 1.00 0.00 O ATOM 0 H GLY A 3 0.153 -9.485 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.238 -8.242 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.257 -9.604 -2.868 1.00 0.00 H new ATOM 32 N ALA A 4 3.866 -9.343 -4.998 1.00 0.00 N ATOM 33 CA ALA A 4 5.047 -8.995 -5.766 1.00 0.00 C ATOM 34 C ALA A 4 4.704 -8.300 -7.077 1.00 0.00 C ATOM 35 O ALA A 4 5.195 -7.205 -7.332 1.00 0.00 O ATOM 36 CB ALA A 4 5.902 -10.243 -5.998 1.00 0.00 C ATOM 0 H ALA A 4 3.778 -10.345 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 4 5.624 -8.275 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.787 -9.975 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.207 -10.659 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.322 -10.985 -6.547 1.00 0.00 H new ATOM 42 N ALA A 5 3.880 -8.928 -7.920 1.00 0.00 N ATOM 43 CA ALA A 5 3.518 -8.341 -9.204 1.00 0.00 C ATOM 44 C ALA A 5 2.870 -6.971 -8.995 1.00 0.00 C ATOM 45 O ALA A 5 3.257 -5.988 -9.620 1.00 0.00 O ATOM 46 CB ALA A 5 2.588 -9.289 -9.965 1.00 0.00 C ATOM 0 H ALA A 5 3.456 -9.837 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 5 4.418 -8.195 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.321 -8.845 -10.924 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.096 -10.239 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.684 -9.460 -9.380 1.00 0.00 H new ATOM 52 N LEU A 6 1.899 -6.921 -8.083 1.00 0.00 N ATOM 53 CA LEU A 6 1.147 -5.726 -7.748 1.00 0.00 C ATOM 54 C LEU A 6 2.097 -4.599 -7.343 1.00 0.00 C ATOM 55 O LEU A 6 2.017 -3.492 -7.878 1.00 0.00 O ATOM 56 CB LEU A 6 0.169 -6.054 -6.619 1.00 0.00 C ATOM 57 CG LEU A 6 -1.059 -6.848 -7.087 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.745 -8.260 -7.598 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.038 -6.950 -5.917 1.00 0.00 C ATOM 0 H LEU A 6 1.611 -7.738 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 6 0.584 -5.387 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.691 -6.625 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.163 -5.125 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.478 -6.307 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.669 -8.749 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.066 -8.197 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.277 -8.839 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.919 -7.511 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.557 -7.462 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.337 -5.949 -5.604 1.00 0.00 H new ATOM 71 N TYR A 7 3.011 -4.891 -6.413 1.00 0.00 N ATOM 72 CA TYR A 7 3.974 -3.929 -5.901 1.00 0.00 C ATOM 73 C TYR A 7 4.678 -3.140 -7.011 1.00 0.00 C ATOM 74 O TYR A 7 4.928 -1.944 -6.849 1.00 0.00 O ATOM 75 CB TYR A 7 4.985 -4.623 -4.985 1.00 0.00 C ATOM 76 CG TYR A 7 6.017 -3.661 -4.440 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.641 -2.712 -3.471 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.274 -3.563 -5.065 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.531 -1.689 -3.104 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.170 -2.555 -4.680 1.00 0.00 C ATOM 81 CZ TYR A 7 7.799 -1.617 -3.703 1.00 0.00 C ATOM 82 OH TYR A 7 8.665 -0.623 -3.375 1.00 0.00 O ATOM 0 H TYR A 7 3.099 -5.816 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 7 3.416 -3.197 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.457 -5.095 -4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.487 -5.417 -5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.667 -2.770 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.548 -4.263 -5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.241 -0.959 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.147 -2.500 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 7 8.587 -0.424 -2.419 1.00 0.00 H new ATOM 92 N LYS A 8 4.971 -3.781 -8.148 1.00 0.00 N ATOM 93 CA LYS A 8 5.663 -3.140 -9.262 1.00 0.00 C ATOM 94 C LYS A 8 4.943 -1.894 -9.796 1.00 0.00 C ATOM 95 O LYS A 8 5.556 -1.125 -10.529 1.00 0.00 O ATOM 96 CB LYS A 8 5.952 -4.148 -10.384 1.00 0.00 C ATOM 97 CG LYS A 8 6.682 -5.417 -9.915 1.00 0.00 C ATOM 98 CD LYS A 8 8.050 -5.131 -9.274 1.00 0.00 C ATOM 99 CE LYS A 8 8.722 -6.421 -8.788 1.00 0.00 C ATOM 100 NZ LYS A 8 8.074 -6.958 -7.577 1.00 0.00 N ATOM 0 H LYS A 8 4.733 -4.758 -8.318 1.00 0.00 H new ATOM 0 HA LYS A 8 6.613 -2.783 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.010 -4.435 -10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.552 -3.659 -11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.055 -5.944 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.820 -6.084 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.695 -4.633 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.924 -4.446 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.687 -7.169 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.774 -6.226 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.479 -7.888 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.232 -6.308 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.052 -7.057 -7.745 1.00 0.00 H new ATOM 114 N SER A 9 3.666 -1.676 -9.460 1.00 0.00 N ATOM 115 CA SER A 9 2.967 -0.451 -9.841 1.00 0.00 C ATOM 116 C SER A 9 3.180 0.653 -8.793 1.00 0.00 C ATOM 117 O SER A 9 3.221 1.838 -9.120 1.00 0.00 O ATOM 118 CB SER A 9 1.473 -0.743 -10.036 1.00 0.00 C ATOM 119 OG SER A 9 0.858 -1.184 -8.840 1.00 0.00 O ATOM 0 H SER A 9 3.099 -2.334 -8.925 1.00 0.00 H new ATOM 0 HA SER A 9 3.379 -0.092 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.971 0.157 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.350 -1.502 -10.808 1.00 0.00 H new ATOM 0 HG SER A 9 1.241 -2.046 -8.574 1.00 0.00 H new ATOM 125 N CYS A 10 3.340 0.261 -7.527 1.00 0.00 N ATOM 126 CA CYS A 10 3.411 1.144 -6.371 1.00 0.00 C ATOM 127 C CYS A 10 4.723 1.920 -6.326 1.00 0.00 C ATOM 128 O CYS A 10 4.780 3.037 -5.800 1.00 0.00 O ATOM 129 CB CYS A 10 3.221 0.319 -5.091 1.00 0.00 C ATOM 130 SG CYS A 10 1.916 -0.945 -5.123 1.00 0.00 S ATOM 0 H CYS A 10 3.427 -0.723 -7.274 1.00 0.00 H new ATOM 0 HA CYS A 10 2.612 1.881 -6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.166 -0.173 -4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.010 1.006 -4.271 1.00 0.00 H new ATOM 135 N ILE A 11 5.783 1.328 -6.888 1.00 0.00 N ATOM 136 CA ILE A 11 7.112 1.926 -6.946 1.00 0.00 C ATOM 137 C ILE A 11 7.080 3.376 -7.435 1.00 0.00 C ATOM 138 O ILE A 11 7.898 4.182 -6.998 1.00 0.00 O ATOM 139 CB ILE A 11 8.071 1.086 -7.805 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.629 1.037 -9.277 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.232 -0.315 -7.203 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.490 0.106 -10.135 1.00 0.00 C ATOM 0 H ILE A 11 5.736 0.406 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 11 7.488 1.937 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 11 9.048 1.570 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.591 0.710 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.666 2.043 -9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.913 -0.900 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.636 -0.233 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.261 -0.809 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.125 0.117 -11.162 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.525 0.446 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.433 -0.909 -9.741 1.00 0.00 H new ATOM 154 N GLY A 12 6.126 3.709 -8.316 1.00 0.00 N ATOM 155 CA GLY A 12 5.932 5.054 -8.840 1.00 0.00 C ATOM 156 C GLY A 12 5.972 6.117 -7.740 1.00 0.00 C ATOM 157 O GLY A 12 6.442 7.227 -7.978 1.00 0.00 O ATOM 0 H GLY A 12 5.459 3.033 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.705 5.269 -9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.974 5.105 -9.357 1.00 0.00 H new ATOM 161 N CYS A 13 5.478 5.775 -6.544 1.00 0.00 N ATOM 162 CA CYS A 13 5.502 6.657 -5.380 1.00 0.00 C ATOM 163 C CYS A 13 6.407 6.078 -4.298 1.00 0.00 C ATOM 164 O CYS A 13 7.128 6.822 -3.642 1.00 0.00 O ATOM 165 CB CYS A 13 4.096 6.848 -4.813 1.00 0.00 C ATOM 166 SG CYS A 13 3.008 7.925 -5.787 1.00 0.00 S ATOM 0 H CYS A 13 5.047 4.869 -6.359 1.00 0.00 H new ATOM 0 HA CYS A 13 5.889 7.625 -5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.624 5.870 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.180 7.258 -3.807 1.00 0.00 H new ATOM 171 N HIS A 14 6.361 4.758 -4.089 1.00 0.00 N ATOM 172 CA HIS A 14 7.094 4.098 -3.013 1.00 0.00 C ATOM 173 C HIS A 14 8.583 3.873 -3.280 1.00 0.00 C ATOM 174 O HIS A 14 9.304 3.440 -2.379 1.00 0.00 O ATOM 175 CB HIS A 14 6.352 2.819 -2.629 1.00 0.00 C ATOM 176 CG HIS A 14 5.067 3.155 -1.917 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.069 3.664 -0.632 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.752 3.203 -2.313 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.802 3.945 -0.307 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.937 3.627 -1.263 1.00 0.00 N ATOM 0 H HIS A 14 5.812 4.119 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 14 7.112 4.782 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.138 2.232 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.982 2.204 -1.986 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.888 3.801 -0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.398 2.948 -3.301 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.513 4.385 0.636 1.00 0.00 H new ATOM 188 N GLY A 15 9.072 4.187 -4.477 1.00 0.00 N ATOM 189 CA GLY A 15 10.481 4.021 -4.779 1.00 0.00 C ATOM 190 C GLY A 15 10.817 2.539 -4.915 1.00 0.00 C ATOM 191 O GLY A 15 9.959 1.732 -5.255 1.00 0.00 O ATOM 0 H GLY A 15 8.513 4.555 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.727 4.544 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.085 4.468 -3.990 1.00 0.00 H new ATOM 195 N ALA A 16 12.067 2.171 -4.624 1.00 0.00 N ATOM 196 CA ALA A 16 12.521 0.788 -4.713 1.00 0.00 C ATOM 197 C ALA A 16 12.134 -0.040 -3.480 1.00 0.00 C ATOM 198 O ALA A 16 12.479 -1.218 -3.411 1.00 0.00 O ATOM 199 CB ALA A 16 14.040 0.779 -4.912 1.00 0.00 C ATOM 0 H ALA A 16 12.789 2.825 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 16 12.025 0.321 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.392 -0.250 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.290 1.309 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.521 1.272 -4.067 1.00 0.00 H new ATOM 205 N ASP A 17 11.456 0.561 -2.495 1.00 0.00 N ATOM 206 CA ASP A 17 11.072 -0.117 -1.266 1.00 0.00 C ATOM 207 C ASP A 17 9.910 0.636 -0.615 1.00 0.00 C ATOM 208 O ASP A 17 8.751 0.296 -0.848 1.00 0.00 O ATOM 209 CB ASP A 17 12.295 -0.314 -0.344 1.00 0.00 C ATOM 210 CG ASP A 17 13.221 0.899 -0.261 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.934 1.775 0.586 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.187 0.945 -1.051 1.00 0.00 O ATOM 0 H ASP A 17 11.160 1.536 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 17 10.713 -1.123 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.944 -0.558 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.868 -1.171 -0.698 1.00 0.00 H new ATOM 217 N GLY A 18 10.201 1.660 0.184 1.00 0.00 N ATOM 218 CA GLY A 18 9.180 2.442 0.853 1.00 0.00 C ATOM 219 C GLY A 18 9.799 3.494 1.766 1.00 0.00 C ATOM 220 O GLY A 18 9.314 3.700 2.875 1.00 0.00 O ATOM 0 H GLY A 18 11.154 1.966 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.547 2.928 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.538 1.783 1.437 1.00 0.00 H new ATOM 224 N SER A 19 10.864 4.149 1.294 1.00 0.00 N ATOM 225 CA SER A 19 11.582 5.220 1.980 1.00 0.00 C ATOM 226 C SER A 19 11.198 6.584 1.382 1.00 0.00 C ATOM 227 O SER A 19 11.903 7.574 1.560 1.00 0.00 O ATOM 228 CB SER A 19 13.083 4.944 1.827 1.00 0.00 C ATOM 229 OG SER A 19 13.356 4.467 0.520 1.00 0.00 O ATOM 0 H SER A 19 11.265 3.935 0.381 1.00 0.00 H new ATOM 0 HA SER A 19 11.320 5.249 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.650 5.855 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.404 4.209 2.566 1.00 0.00 H new ATOM 0 HG SER A 19 13.360 3.487 0.524 1.00 0.00 H new ATOM 235 N LYS A 20 10.081 6.619 0.652 1.00 0.00 N ATOM 236 CA LYS A 20 9.573 7.766 -0.073 1.00 0.00 C ATOM 237 C LYS A 20 9.198 8.989 0.776 1.00 0.00 C ATOM 238 O LYS A 20 9.179 8.966 2.005 1.00 0.00 O ATOM 239 CB LYS A 20 8.360 7.293 -0.896 1.00 0.00 C ATOM 240 CG LYS A 20 7.238 6.563 -0.125 1.00 0.00 C ATOM 241 CD LYS A 20 6.781 7.250 1.172 1.00 0.00 C ATOM 242 CE LYS A 20 5.496 6.650 1.746 1.00 0.00 C ATOM 243 NZ LYS A 20 4.321 6.967 0.916 1.00 0.00 N ATOM 0 H LYS A 20 9.481 5.800 0.551 1.00 0.00 H new ATOM 0 HA LYS A 20 10.391 8.129 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.924 8.162 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.720 6.629 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.376 6.457 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.581 5.557 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.574 7.174 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.625 8.311 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.604 5.568 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.339 7.028 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.546 6.314 1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.018 7.944 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.569 6.867 -0.089 1.00 0.00 H new ATOM 257 N ALA A 21 8.823 10.041 0.048 1.00 0.00 N ATOM 258 CA ALA A 21 8.232 11.289 0.498 1.00 0.00 C ATOM 259 C ALA A 21 7.198 11.578 -0.592 1.00 0.00 C ATOM 260 O ALA A 21 7.437 12.381 -1.489 1.00 0.00 O ATOM 261 CB ALA A 21 9.306 12.375 0.610 1.00 0.00 C ATOM 0 H ALA A 21 8.939 10.034 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 21 7.780 11.249 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.849 13.305 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.066 12.063 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.768 12.531 -0.365 1.00 0.00 H new ATOM 267 N ALA A 22 6.107 10.805 -0.566 1.00 0.00 N ATOM 268 CA ALA A 22 5.069 10.798 -1.588 1.00 0.00 C ATOM 269 C ALA A 22 4.125 12.004 -1.457 1.00 0.00 C ATOM 270 O ALA A 22 4.567 13.109 -1.146 1.00 0.00 O ATOM 271 CB ALA A 22 4.364 9.432 -1.540 1.00 0.00 C ATOM 0 H ALA A 22 5.922 10.149 0.193 1.00 0.00 H new ATOM 0 HA ALA A 22 5.505 10.918 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.580 9.400 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.089 8.641 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.922 9.285 -0.554 1.00 0.00 H new ATOM 277 N MET A 23 2.825 11.816 -1.714 1.00 0.00 N ATOM 278 CA MET A 23 1.842 12.889 -1.637 1.00 0.00 C ATOM 279 C MET A 23 1.665 13.357 -0.190 1.00 0.00 C ATOM 280 O MET A 23 0.740 12.931 0.499 1.00 0.00 O ATOM 281 CB MET A 23 0.510 12.442 -2.259 1.00 0.00 C ATOM 282 CG MET A 23 0.596 12.349 -3.787 1.00 0.00 C ATOM 283 SD MET A 23 -0.987 12.009 -4.600 1.00 0.00 S ATOM 284 CE MET A 23 -0.578 12.493 -6.292 1.00 0.00 C ATOM 0 H MET A 23 2.431 10.914 -1.981 1.00 0.00 H new ATOM 0 HA MET A 23 2.205 13.741 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.226 11.472 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.275 13.146 -1.982 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.997 13.285 -4.175 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.304 11.564 -4.053 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.448 12.347 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.287 13.543 -6.310 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.248 11.881 -6.656 1.00 0.00 H new ATOM 294 N GLY A 24 2.554 14.245 0.256 1.00 0.00 N ATOM 295 CA GLY A 24 2.554 14.808 1.595 1.00 0.00 C ATOM 296 C GLY A 24 3.249 13.869 2.577 1.00 0.00 C ATOM 297 O GLY A 24 3.595 12.740 2.229 1.00 0.00 O ATOM 0 H GLY A 24 3.313 14.599 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.059 15.774 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.529 14.987 1.919 1.00 0.00 H new ATOM 301 N SER A 25 3.462 14.343 3.809 1.00 0.00 N ATOM 302 CA SER A 25 4.084 13.591 4.887 1.00 0.00 C ATOM 303 C SER A 25 3.401 12.229 5.027 1.00 0.00 C ATOM 304 O SER A 25 2.241 12.161 5.433 1.00 0.00 O ATOM 305 CB SER A 25 3.959 14.415 6.169 1.00 0.00 C ATOM 306 OG SER A 25 4.276 15.767 5.883 1.00 0.00 O ATOM 0 H SER A 25 3.196 15.288 4.085 1.00 0.00 H new ATOM 0 HA SER A 25 5.138 13.408 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.947 14.342 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.630 14.025 6.934 1.00 0.00 H new ATOM 0 HG SER A 25 4.196 16.302 6.700 1.00 0.00 H new ATOM 312 N ALA A 26 4.102 11.160 4.653 1.00 0.00 N ATOM 313 CA ALA A 26 3.578 9.806 4.634 1.00 0.00 C ATOM 314 C ALA A 26 4.520 8.882 5.394 1.00 0.00 C ATOM 315 O ALA A 26 5.733 8.990 5.229 1.00 0.00 O ATOM 316 CB ALA A 26 3.484 9.363 3.172 1.00 0.00 C ATOM 0 H ALA A 26 5.074 11.219 4.348 1.00 0.00 H new ATOM 0 HA ALA A 26 2.597 9.767 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.093 8.347 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.818 10.034 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.475 9.392 2.719 1.00 0.00 H new ATOM 322 N LYS A 27 3.972 7.982 6.215 1.00 0.00 N ATOM 323 CA LYS A 27 4.681 6.967 6.943 1.00 0.00 C ATOM 324 C LYS A 27 5.509 6.154 5.942 1.00 0.00 C ATOM 325 O LYS A 27 4.911 5.456 5.120 1.00 0.00 O ATOM 326 CB LYS A 27 3.589 6.095 7.564 1.00 0.00 C ATOM 327 CG LYS A 27 2.853 6.772 8.731 1.00 0.00 C ATOM 328 CD LYS A 27 3.277 6.204 10.093 1.00 0.00 C ATOM 329 CE LYS A 27 2.464 4.963 10.493 1.00 0.00 C ATOM 330 NZ LYS A 27 2.530 3.884 9.492 1.00 0.00 N ATOM 0 H LYS A 27 2.967 7.954 6.388 1.00 0.00 H new ATOM 0 HA LYS A 27 5.354 7.364 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.865 5.830 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.035 5.165 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.050 7.844 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.778 6.643 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.336 5.946 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.159 6.973 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.831 4.588 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.423 5.250 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.064 3.033 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.048 4.188 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.525 3.668 9.279 1.00 0.00 H new ATOM 344 N PRO A 28 6.850 6.240 5.955 1.00 0.00 N ATOM 345 CA PRO A 28 7.670 5.489 5.024 1.00 0.00 C ATOM 346 C PRO A 28 7.437 3.998 5.251 1.00 0.00 C ATOM 347 O PRO A 28 7.926 3.439 6.224 1.00 0.00 O ATOM 348 CB PRO A 28 9.123 5.906 5.280 1.00 0.00 C ATOM 349 CG PRO A 28 8.998 7.221 6.050 1.00 0.00 C ATOM 350 CD PRO A 28 7.684 7.066 6.812 1.00 0.00 C ATOM 0 HA PRO A 28 7.420 5.693 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.659 5.153 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.671 6.040 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.839 7.371 6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.973 8.079 5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.843 6.594 7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.220 8.034 7.000 1.00 0.00 H new ATOM 358 N VAL A 29 6.665 3.383 4.352 1.00 0.00 N ATOM 359 CA VAL A 29 6.255 1.985 4.383 1.00 0.00 C ATOM 360 C VAL A 29 7.344 1.049 4.903 1.00 0.00 C ATOM 361 O VAL A 29 7.057 0.149 5.693 1.00 0.00 O ATOM 362 CB VAL A 29 5.775 1.526 3.001 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.867 0.306 3.130 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.939 2.590 2.300 1.00 0.00 C ATOM 0 H VAL A 29 6.291 3.877 3.541 1.00 0.00 H new ATOM 0 HA VAL A 29 5.427 1.928 5.090 1.00 0.00 H new ATOM 0 HB VAL A 29 6.678 1.311 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.535 -0.007 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.416 -0.508 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.000 0.561 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.622 2.220 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.061 2.820 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.535 3.493 2.169 1.00 0.00 H new ATOM 374 N LYS A 30 8.573 1.259 4.419 1.00 0.00 N ATOM 375 CA LYS A 30 9.735 0.472 4.789 1.00 0.00 C ATOM 376 C LYS A 30 9.856 0.512 6.316 1.00 0.00 C ATOM 377 O LYS A 30 10.239 1.537 6.878 1.00 0.00 O ATOM 378 CB LYS A 30 10.955 1.066 4.060 1.00 0.00 C ATOM 379 CG LYS A 30 12.219 0.195 3.944 1.00 0.00 C ATOM 380 CD LYS A 30 12.697 -0.478 5.237 1.00 0.00 C ATOM 381 CE LYS A 30 13.288 0.515 6.241 1.00 0.00 C ATOM 382 NZ LYS A 30 13.437 -0.118 7.563 1.00 0.00 N ATOM 0 H LYS A 30 8.783 1.997 3.747 1.00 0.00 H new ATOM 0 HA LYS A 30 9.658 -0.575 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.642 1.338 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.231 1.990 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.034 -0.581 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.029 0.816 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.860 -1.000 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.447 -1.231 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.258 0.866 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.642 1.390 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.839 0.568 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.506 -0.431 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.071 -0.939 7.485 1.00 0.00 H new ATOM 396 N GLY A 31 9.520 -0.592 6.984 1.00 0.00 N ATOM 397 CA GLY A 31 9.605 -0.717 8.424 1.00 0.00 C ATOM 398 C GLY A 31 8.297 -1.141 9.091 1.00 0.00 C ATOM 399 O GLY A 31 8.350 -1.886 10.070 1.00 0.00 O ATOM 0 H GLY A 31 9.176 -1.435 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.378 -1.445 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.921 0.238 8.843 1.00 0.00 H new ATOM 403 N GLN A 32 7.129 -0.663 8.635 1.00 0.00 N ATOM 404 CA GLN A 32 5.882 -1.097 9.268 1.00 0.00 C ATOM 405 C GLN A 32 5.548 -2.522 8.810 1.00 0.00 C ATOM 406 O GLN A 32 6.000 -2.980 7.763 1.00 0.00 O ATOM 407 CB GLN A 32 4.728 -0.082 9.186 1.00 0.00 C ATOM 408 CG GLN A 32 4.314 0.346 7.781 1.00 0.00 C ATOM 409 CD GLN A 32 4.676 1.805 7.473 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.757 2.270 7.810 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.762 2.542 6.839 1.00 0.00 N ATOM 0 H GLN A 32 7.025 -0.004 7.863 1.00 0.00 H new ATOM 0 HA GLN A 32 6.041 -1.134 10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.858 -0.509 9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.013 0.808 9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.796 -0.305 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.238 0.212 7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.870 2.127 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.956 3.520 6.623 1.00 0.00 H new ATOM 420 N GLY A 33 4.763 -3.227 9.624 1.00 0.00 N ATOM 421 CA GLY A 33 4.533 -4.664 9.486 1.00 0.00 C ATOM 422 C GLY A 33 3.174 -5.055 8.921 1.00 0.00 C ATOM 423 O GLY A 33 2.210 -4.293 9.004 1.00 0.00 O ATOM 0 H GLY A 33 4.262 -2.810 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.309 -5.079 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.648 -5.129 10.465 1.00 0.00 H new ATOM 427 N ALA A 34 3.108 -6.283 8.391 1.00 0.00 N ATOM 428 CA ALA A 34 1.948 -6.921 7.776 1.00 0.00 C ATOM 429 C ALA A 34 0.651 -6.638 8.527 1.00 0.00 C ATOM 430 O ALA A 34 -0.360 -6.326 7.909 1.00 0.00 O ATOM 431 CB ALA A 34 2.176 -8.434 7.697 1.00 0.00 C ATOM 0 H ALA A 34 3.923 -6.896 8.383 1.00 0.00 H new ATOM 0 HA ALA A 34 1.840 -6.498 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.309 -8.909 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.062 -8.638 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.319 -8.833 8.701 1.00 0.00 H new ATOM 437 N GLU A 35 0.681 -6.756 9.854 1.00 0.00 N ATOM 438 CA GLU A 35 -0.439 -6.558 10.736 1.00 0.00 C ATOM 439 C GLU A 35 -1.048 -5.165 10.555 1.00 0.00 C ATOM 440 O GLU A 35 -2.267 -5.021 10.533 1.00 0.00 O ATOM 441 CB GLU A 35 0.081 -6.752 12.164 1.00 0.00 C ATOM 442 CG GLU A 35 0.471 -8.203 12.511 1.00 0.00 C ATOM 443 CD GLU A 35 1.782 -8.686 11.888 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.607 -7.815 11.530 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.931 -9.920 11.771 1.00 0.00 O ATOM 0 H GLU A 35 1.534 -7.005 10.355 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.233 -7.271 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.950 -6.111 12.311 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.684 -6.417 12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.546 -8.294 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.332 -8.866 12.190 1.00 0.00 H new ATOM 452 N GLU A 36 -0.195 -4.144 10.450 1.00 0.00 N ATOM 453 CA GLU A 36 -0.605 -2.763 10.271 1.00 0.00 C ATOM 454 C GLU A 36 -0.957 -2.544 8.800 1.00 0.00 C ATOM 455 O GLU A 36 -2.035 -2.047 8.472 1.00 0.00 O ATOM 456 CB GLU A 36 0.538 -1.856 10.762 1.00 0.00 C ATOM 457 CG GLU A 36 0.431 -0.422 10.230 1.00 0.00 C ATOM 458 CD GLU A 36 1.348 0.560 10.954 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.293 0.087 11.622 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.090 1.775 10.814 1.00 0.00 O ATOM 0 H GLU A 36 0.817 -4.263 10.489 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.494 -2.518 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.536 -1.835 11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.492 -2.283 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.672 -0.417 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.600 -0.083 10.325 1.00 0.00 H new ATOM 467 N LEU A 37 -0.030 -2.918 7.917 1.00 0.00 N ATOM 468 CA LEU A 37 -0.138 -2.786 6.496 1.00 0.00 C ATOM 469 C LEU A 37 -1.463 -3.369 6.001 1.00 0.00 C ATOM 470 O LEU A 37 -2.265 -2.622 5.462 1.00 0.00 O ATOM 471 CB LEU A 37 1.086 -3.515 5.934 1.00 0.00 C ATOM 472 CG LEU A 37 2.437 -2.786 6.064 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.545 -3.704 5.535 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.467 -1.491 5.254 1.00 0.00 C ATOM 0 H LEU A 37 0.853 -3.340 8.206 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.147 -1.747 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.169 -4.480 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.908 -3.718 4.878 1.00 0.00 H new ATOM 0 HG LEU A 37 2.584 -2.540 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.507 -3.200 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.564 -4.625 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.352 -3.941 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.437 -1.009 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.302 -1.717 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.683 -0.822 5.609 1.00 0.00 H new ATOM 486 N TYR A 38 -1.715 -4.671 6.176 1.00 0.00 N ATOM 487 CA TYR A 38 -2.935 -5.342 5.740 1.00 0.00 C ATOM 488 C TYR A 38 -4.187 -4.537 6.064 1.00 0.00 C ATOM 489 O TYR A 38 -4.996 -4.266 5.181 1.00 0.00 O ATOM 490 CB TYR A 38 -3.026 -6.757 6.326 1.00 0.00 C ATOM 491 CG TYR A 38 -4.307 -7.492 5.962 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.743 -7.541 4.623 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.112 -8.047 6.975 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.991 -8.103 4.307 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.339 -8.654 6.651 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.777 -8.679 5.316 1.00 0.00 C ATOM 497 OH TYR A 38 -7.962 -9.270 4.992 1.00 0.00 O ATOM 0 H TYR A 38 -1.057 -5.299 6.637 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.880 -5.422 4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.173 -7.340 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.949 -6.696 7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.116 -7.145 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.787 -8.007 8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.345 -8.092 3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.943 -9.100 7.427 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.385 -9.622 5.803 1.00 0.00 H new ATOM 507 N LYS A 39 -4.341 -4.155 7.329 1.00 0.00 N ATOM 508 CA LYS A 39 -5.484 -3.371 7.766 1.00 0.00 C ATOM 509 C LYS A 39 -5.569 -2.072 6.969 1.00 0.00 C ATOM 510 O LYS A 39 -6.643 -1.685 6.519 1.00 0.00 O ATOM 511 CB LYS A 39 -5.367 -3.081 9.265 1.00 0.00 C ATOM 512 CG LYS A 39 -5.508 -4.363 10.094 1.00 0.00 C ATOM 513 CD LYS A 39 -5.254 -4.050 11.574 1.00 0.00 C ATOM 514 CE LYS A 39 -5.340 -5.304 12.453 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.367 -6.330 12.039 1.00 0.00 N ATOM 0 H LYS A 39 -3.680 -4.380 8.073 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.398 -3.938 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.404 -2.615 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.137 -2.368 9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.506 -4.782 9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.800 -5.114 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.268 -3.598 11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.982 -3.316 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.161 -5.032 13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.348 -5.716 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.992 -6.813 12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.835 -7.024 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.586 -5.879 11.522 1.00 0.00 H new ATOM 529 N LYS A 40 -4.437 -1.397 6.791 1.00 0.00 N ATOM 530 CA LYS A 40 -4.373 -0.153 6.047 1.00 0.00 C ATOM 531 C LYS A 40 -4.670 -0.334 4.551 1.00 0.00 C ATOM 532 O LYS A 40 -5.516 0.392 4.034 1.00 0.00 O ATOM 533 CB LYS A 40 -3.051 0.542 6.371 1.00 0.00 C ATOM 534 CG LYS A 40 -3.204 1.180 7.762 1.00 0.00 C ATOM 535 CD LYS A 40 -1.966 1.994 8.114 1.00 0.00 C ATOM 536 CE LYS A 40 -2.115 2.724 9.450 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.932 3.559 9.720 1.00 0.00 N ATOM 0 H LYS A 40 -3.537 -1.703 7.162 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.175 0.512 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.228 -0.173 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.821 1.300 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.085 1.821 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.360 0.403 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.100 1.334 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.774 2.721 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.010 3.346 9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.246 1.999 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.206 4.366 10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.213 2.993 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.542 3.909 8.822 1.00 0.00 H new ATOM 551 N MET A 41 -4.032 -1.271 3.835 1.00 0.00 N ATOM 552 CA MET A 41 -4.384 -1.518 2.433 1.00 0.00 C ATOM 553 C MET A 41 -5.857 -1.927 2.328 1.00 0.00 C ATOM 554 O MET A 41 -6.538 -1.499 1.397 1.00 0.00 O ATOM 555 CB MET A 41 -3.421 -2.456 1.670 1.00 0.00 C ATOM 556 CG MET A 41 -2.765 -3.624 2.425 1.00 0.00 C ATOM 557 SD MET A 41 -1.012 -3.367 2.772 1.00 0.00 S ATOM 558 CE MET A 41 -0.408 -3.196 1.083 1.00 0.00 C ATOM 0 H MET A 41 -3.282 -1.860 4.197 1.00 0.00 H new ATOM 0 HA MET A 41 -4.252 -0.573 1.905 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.970 -2.876 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.622 -1.841 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.294 -3.780 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.881 -4.535 1.839 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.438 -3.866 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.205 -3.451 0.384 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.091 -2.167 0.912 1.00 0.00 H new ATOM 568 N LYS A 42 -6.368 -2.709 3.285 1.00 0.00 N ATOM 569 CA LYS A 42 -7.781 -3.056 3.313 1.00 0.00 C ATOM 570 C LYS A 42 -8.612 -1.780 3.457 1.00 0.00 C ATOM 571 O LYS A 42 -9.581 -1.592 2.733 1.00 0.00 O ATOM 572 CB LYS A 42 -8.063 -4.047 4.449 1.00 0.00 C ATOM 573 CG LYS A 42 -9.460 -4.667 4.319 1.00 0.00 C ATOM 574 CD LYS A 42 -9.613 -5.925 5.185 1.00 0.00 C ATOM 575 CE LYS A 42 -9.338 -5.650 6.668 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.604 -6.844 7.489 1.00 0.00 N ATOM 0 H LYS A 42 -5.820 -3.110 4.046 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.060 -3.544 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.311 -4.836 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.978 -3.537 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.211 -3.933 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.649 -4.920 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.623 -6.320 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.928 -6.694 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.301 -5.340 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.962 -4.824 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.410 -6.629 8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.600 -7.124 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.990 -7.624 7.177 1.00 0.00 H new ATOM 590 N GLY A 43 -8.226 -0.907 4.388 1.00 0.00 N ATOM 591 CA GLY A 43 -8.866 0.373 4.646 1.00 0.00 C ATOM 592 C GLY A 43 -8.922 1.236 3.385 1.00 0.00 C ATOM 593 O GLY A 43 -9.979 1.764 3.031 1.00 0.00 O ATOM 0 H GLY A 43 -7.431 -1.083 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.876 0.207 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.320 0.903 5.427 1.00 0.00 H new ATOM 597 N TYR A 44 -7.778 1.373 2.708 1.00 0.00 N ATOM 598 CA TYR A 44 -7.654 2.099 1.462 1.00 0.00 C ATOM 599 C TYR A 44 -8.610 1.473 0.440 1.00 0.00 C ATOM 600 O TYR A 44 -9.499 2.152 -0.062 1.00 0.00 O ATOM 601 CB TYR A 44 -6.195 2.044 0.978 1.00 0.00 C ATOM 602 CG TYR A 44 -5.194 2.994 1.621 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.408 4.382 1.556 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.961 2.520 2.114 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.518 5.261 2.196 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.019 3.412 2.657 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.322 4.777 2.744 1.00 0.00 C ATOM 608 OH TYR A 44 -2.433 5.645 3.305 1.00 0.00 O ATOM 0 H TYR A 44 -6.898 0.969 3.027 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.919 3.148 1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.832 1.027 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.192 2.232 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.257 4.773 1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.738 1.464 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.756 6.312 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.065 3.046 3.006 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.657 5.148 3.639 1.00 0.00 H new ATOM 618 N ALA A 45 -8.467 0.175 0.156 1.00 0.00 N ATOM 619 CA ALA A 45 -9.320 -0.528 -0.801 1.00 0.00 C ATOM 620 C ALA A 45 -10.806 -0.344 -0.480 1.00 0.00 C ATOM 621 O ALA A 45 -11.611 -0.097 -1.372 1.00 0.00 O ATOM 622 CB ALA A 45 -8.938 -2.010 -0.839 1.00 0.00 C ATOM 0 H ALA A 45 -7.755 -0.417 0.585 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.158 -0.096 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.575 -2.532 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.896 -2.109 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.071 -2.445 0.151 1.00 0.00 H new ATOM 628 N ASP A 46 -11.170 -0.460 0.796 1.00 0.00 N ATOM 629 CA ASP A 46 -12.528 -0.275 1.284 1.00 0.00 C ATOM 630 C ASP A 46 -12.988 1.171 1.068 1.00 0.00 C ATOM 631 O ASP A 46 -14.165 1.414 0.817 1.00 0.00 O ATOM 632 CB ASP A 46 -12.569 -0.660 2.767 1.00 0.00 C ATOM 633 CG ASP A 46 -13.884 -0.270 3.426 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.886 -0.970 3.168 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.849 0.720 4.189 1.00 0.00 O ATOM 0 H ASP A 46 -10.507 -0.692 1.536 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.214 -0.914 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.420 -1.735 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.745 -0.175 3.290 1.00 0.00 H new ATOM 640 N GLY A 47 -12.064 2.127 1.183 1.00 0.00 N ATOM 641 CA GLY A 47 -12.331 3.544 1.005 1.00 0.00 C ATOM 642 C GLY A 47 -12.647 4.225 2.334 1.00 0.00 C ATOM 643 O GLY A 47 -13.315 5.256 2.347 1.00 0.00 O ATOM 0 H GLY A 47 -11.089 1.926 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.466 4.023 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.169 3.674 0.320 1.00 0.00 H new ATOM 647 N SER A 48 -12.168 3.663 3.448 1.00 0.00 N ATOM 648 CA SER A 48 -12.340 4.241 4.775 1.00 0.00 C ATOM 649 C SER A 48 -11.058 4.994 5.104 1.00 0.00 C ATOM 650 O SER A 48 -11.035 6.221 5.179 1.00 0.00 O ATOM 651 CB SER A 48 -12.610 3.128 5.792 1.00 0.00 C ATOM 652 OG SER A 48 -11.802 2.003 5.498 1.00 0.00 O ATOM 0 H SER A 48 -11.646 2.787 3.449 1.00 0.00 H new ATOM 0 HA SER A 48 -13.190 4.923 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.399 3.485 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.663 2.847 5.767 1.00 0.00 H new ATOM 0 HG SER A 48 -12.324 1.351 4.985 1.00 0.00 H new ATOM 658 N TYR A 49 -9.976 4.235 5.285 1.00 0.00 N ATOM 659 CA TYR A 49 -8.652 4.784 5.526 1.00 0.00 C ATOM 660 C TYR A 49 -8.152 5.381 4.208 1.00 0.00 C ATOM 661 O TYR A 49 -7.314 4.781 3.551 1.00 0.00 O ATOM 662 CB TYR A 49 -7.717 3.676 6.043 1.00 0.00 C ATOM 663 CG TYR A 49 -6.353 4.168 6.496 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.238 4.887 7.699 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.204 3.930 5.716 1.00 0.00 C ATOM 666 CE1 TYR A 49 -4.990 5.388 8.105 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.956 4.435 6.124 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.852 5.186 7.307 1.00 0.00 C ATOM 669 OH TYR A 49 -2.650 5.678 7.725 1.00 0.00 O ATOM 0 H TYR A 49 -10.000 3.215 5.267 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.677 5.564 6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.202 3.168 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.580 2.936 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.111 5.054 8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.282 3.359 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.905 5.931 9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.076 4.245 5.527 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.158 6.035 6.957 1.00 0.00 H new ATOM 679 N GLY A 50 -8.680 6.534 3.795 1.00 0.00 N ATOM 680 CA GLY A 50 -8.319 7.178 2.540 1.00 0.00 C ATOM 681 C GLY A 50 -8.579 8.681 2.593 1.00 0.00 C ATOM 682 O GLY A 50 -8.958 9.214 3.634 1.00 0.00 O ATOM 0 H GLY A 50 -9.378 7.049 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.266 6.996 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.891 6.736 1.724 1.00 0.00 H new ATOM 686 N GLY A 51 -8.364 9.369 1.468 1.00 0.00 N ATOM 687 CA GLY A 51 -8.547 10.804 1.335 1.00 0.00 C ATOM 688 C GLY A 51 -8.054 11.241 -0.044 1.00 0.00 C ATOM 689 O GLY A 51 -7.464 10.437 -0.767 1.00 0.00 O ATOM 0 H GLY A 51 -8.050 8.925 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.599 11.063 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.996 11.328 2.116 1.00 0.00 H new ATOM 693 N GLU A 52 -8.271 12.508 -0.406 1.00 0.00 N ATOM 694 CA GLU A 52 -7.878 13.063 -1.700 1.00 0.00 C ATOM 695 C GLU A 52 -6.430 12.712 -2.071 1.00 0.00 C ATOM 696 O GLU A 52 -6.181 12.174 -3.146 1.00 0.00 O ATOM 697 CB GLU A 52 -8.178 14.574 -1.757 1.00 0.00 C ATOM 698 CG GLU A 52 -7.320 15.483 -0.858 1.00 0.00 C ATOM 699 CD GLU A 52 -7.300 15.035 0.599 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.393 15.014 1.204 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.204 14.635 1.048 1.00 0.00 O ATOM 0 H GLU A 52 -8.731 13.185 0.202 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.487 12.591 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.060 14.906 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.225 14.723 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.299 15.503 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.701 16.503 -0.913 1.00 0.00 H new ATOM 708 N ARG A 53 -5.483 12.962 -1.162 1.00 0.00 N ATOM 709 CA ARG A 53 -4.067 12.671 -1.367 1.00 0.00 C ATOM 710 C ARG A 53 -3.799 11.179 -1.608 1.00 0.00 C ATOM 711 O ARG A 53 -2.769 10.819 -2.168 1.00 0.00 O ATOM 712 CB ARG A 53 -3.263 13.190 -0.162 1.00 0.00 C ATOM 713 CG ARG A 53 -3.596 12.443 1.140 1.00 0.00 C ATOM 714 CD ARG A 53 -2.910 13.067 2.358 1.00 0.00 C ATOM 715 NE ARG A 53 -1.466 12.794 2.337 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.690 12.483 3.385 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.152 12.495 4.639 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.583 12.160 3.158 1.00 0.00 N ATOM 0 H ARG A 53 -5.684 13.378 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.745 13.185 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.198 13.090 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.463 14.253 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.675 12.446 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.290 11.401 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.082 14.143 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.348 12.667 3.273 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.005 12.847 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.123 12.746 4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.533 12.253 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.945 12.154 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.195 11.919 3.938 1.00 0.00 H new ATOM 732 N LYS A 54 -4.708 10.312 -1.157 1.00 0.00 N ATOM 733 CA LYS A 54 -4.590 8.868 -1.261 1.00 0.00 C ATOM 734 C LYS A 54 -5.319 8.334 -2.494 1.00 0.00 C ATOM 735 O LYS A 54 -5.038 7.218 -2.916 1.00 0.00 O ATOM 736 CB LYS A 54 -5.183 8.219 -0.003 1.00 0.00 C ATOM 737 CG LYS A 54 -4.760 8.883 1.315 1.00 0.00 C ATOM 738 CD LYS A 54 -3.254 8.724 1.580 1.00 0.00 C ATOM 739 CE LYS A 54 -2.868 9.249 2.969 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.310 8.338 4.040 1.00 0.00 N ATOM 0 H LYS A 54 -5.568 10.610 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.533 8.620 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.270 8.243 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.889 7.170 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.013 9.943 1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.322 8.444 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.978 7.673 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.691 9.262 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.787 9.375 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.312 10.233 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.875 8.624 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.346 8.380 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.021 7.366 3.810 1.00 0.00 H new ATOM 754 N ALA A 55 -6.290 9.075 -3.036 1.00 0.00 N ATOM 755 CA ALA A 55 -7.149 8.681 -4.156 1.00 0.00 C ATOM 756 C ALA A 55 -6.512 7.733 -5.184 1.00 0.00 C ATOM 757 O ALA A 55 -7.046 6.652 -5.441 1.00 0.00 O ATOM 758 CB ALA A 55 -7.702 9.934 -4.842 1.00 0.00 C ATOM 0 H ALA A 55 -6.508 10.009 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.952 8.091 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.341 9.641 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.283 10.514 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.876 10.540 -5.214 1.00 0.00 H new ATOM 764 N MET A 56 -5.380 8.122 -5.776 1.00 0.00 N ATOM 765 CA MET A 56 -4.698 7.307 -6.780 1.00 0.00 C ATOM 766 C MET A 56 -4.406 5.907 -6.227 1.00 0.00 C ATOM 767 O MET A 56 -4.813 4.891 -6.794 1.00 0.00 O ATOM 768 CB MET A 56 -3.404 8.004 -7.230 1.00 0.00 C ATOM 769 CG MET A 56 -3.638 9.403 -7.822 1.00 0.00 C ATOM 770 SD MET A 56 -4.851 9.541 -9.163 1.00 0.00 S ATOM 771 CE MET A 56 -4.115 8.441 -10.393 1.00 0.00 C ATOM 0 H MET A 56 -4.914 9.006 -5.573 1.00 0.00 H new ATOM 0 HA MET A 56 -5.348 7.195 -7.647 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.729 8.086 -6.378 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.905 7.382 -7.973 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.951 10.064 -7.014 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.683 9.779 -8.190 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.716 8.458 -11.302 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.103 8.775 -10.621 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.081 7.425 -9.999 1.00 0.00 H new ATOM 781 N MET A 57 -3.714 5.868 -5.089 1.00 0.00 N ATOM 782 CA MET A 57 -3.384 4.638 -4.393 1.00 0.00 C ATOM 783 C MET A 57 -4.663 3.882 -4.055 1.00 0.00 C ATOM 784 O MET A 57 -4.720 2.673 -4.243 1.00 0.00 O ATOM 785 CB MET A 57 -2.598 4.979 -3.126 1.00 0.00 C ATOM 786 CG MET A 57 -2.419 3.770 -2.201 1.00 0.00 C ATOM 787 SD MET A 57 -1.361 4.095 -0.778 1.00 0.00 S ATOM 788 CE MET A 57 -2.000 5.662 -0.156 1.00 0.00 C ATOM 0 H MET A 57 -3.365 6.705 -4.623 1.00 0.00 H new ATOM 0 HA MET A 57 -2.769 3.999 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.618 5.367 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.114 5.773 -2.585 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.398 3.446 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.998 2.944 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.608 5.843 0.845 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.690 6.470 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.089 5.621 -0.117 1.00 0.00 H new ATOM 798 N THR A 58 -5.676 4.594 -3.555 1.00 0.00 N ATOM 799 CA THR A 58 -6.959 4.028 -3.167 1.00 0.00 C ATOM 800 C THR A 58 -7.507 3.206 -4.336 1.00 0.00 C ATOM 801 O THR A 58 -7.819 2.028 -4.174 1.00 0.00 O ATOM 802 CB THR A 58 -7.915 5.147 -2.713 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.273 5.990 -1.773 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.169 4.610 -2.028 1.00 0.00 C ATOM 0 H THR A 58 -5.620 5.602 -3.408 1.00 0.00 H new ATOM 0 HA THR A 58 -6.847 3.358 -2.315 1.00 0.00 H new ATOM 0 HB THR A 58 -8.195 5.683 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.890 6.698 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.806 5.443 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.714 3.966 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.884 4.037 -1.146 1.00 0.00 H new ATOM 812 N ASN A 59 -7.577 3.805 -5.531 1.00 0.00 N ATOM 813 CA ASN A 59 -8.046 3.090 -6.713 1.00 0.00 C ATOM 814 C ASN A 59 -7.104 1.933 -7.052 1.00 0.00 C ATOM 815 O ASN A 59 -7.568 0.863 -7.447 1.00 0.00 O ATOM 816 CB ASN A 59 -8.181 4.039 -7.908 1.00 0.00 C ATOM 817 CG ASN A 59 -9.038 3.493 -9.059 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.552 4.278 -9.848 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.241 2.181 -9.202 1.00 0.00 N ATOM 0 H ASN A 59 -7.316 4.776 -5.700 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.031 2.680 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.614 4.978 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.186 4.267 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.822 1.835 -9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.815 1.525 -8.548 1.00 0.00 H new ATOM 826 N ALA A 60 -5.790 2.134 -6.925 1.00 0.00 N ATOM 827 CA ALA A 60 -4.832 1.084 -7.241 1.00 0.00 C ATOM 828 C ALA A 60 -5.093 -0.152 -6.375 1.00 0.00 C ATOM 829 O ALA A 60 -5.261 -1.251 -6.897 1.00 0.00 O ATOM 830 CB ALA A 60 -3.399 1.606 -7.106 1.00 0.00 C ATOM 0 H ALA A 60 -5.372 3.009 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.960 0.780 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.697 0.808 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.249 2.439 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.229 1.943 -6.083 1.00 0.00 H new ATOM 836 N VAL A 61 -5.166 0.018 -5.053 1.00 0.00 N ATOM 837 CA VAL A 61 -5.418 -1.104 -4.160 1.00 0.00 C ATOM 838 C VAL A 61 -6.866 -1.595 -4.263 1.00 0.00 C ATOM 839 O VAL A 61 -7.108 -2.774 -4.032 1.00 0.00 O ATOM 840 CB VAL A 61 -4.984 -0.804 -2.719 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.494 -0.448 -2.654 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.805 0.302 -2.063 1.00 0.00 C ATOM 0 H VAL A 61 -5.054 0.917 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.791 -1.932 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.165 -1.720 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.214 -0.240 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.903 -1.284 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.304 0.434 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.448 0.466 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.700 1.223 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.855 0.009 -2.037 1.00 0.00 H new ATOM 852 N LYS A 62 -7.833 -0.741 -4.626 1.00 0.00 N ATOM 853 CA LYS A 62 -9.220 -1.167 -4.827 1.00 0.00 C ATOM 854 C LYS A 62 -9.280 -2.348 -5.805 1.00 0.00 C ATOM 855 O LYS A 62 -10.137 -3.218 -5.671 1.00 0.00 O ATOM 856 CB LYS A 62 -10.071 0.021 -5.320 1.00 0.00 C ATOM 857 CG LYS A 62 -11.525 -0.303 -5.710 1.00 0.00 C ATOM 858 CD LYS A 62 -12.438 -0.665 -4.529 1.00 0.00 C ATOM 859 CE LYS A 62 -13.241 0.537 -4.007 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.375 1.613 -3.495 1.00 0.00 N ATOM 0 H LYS A 62 -7.676 0.254 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.633 -1.505 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.087 0.780 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.575 0.464 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.948 0.557 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.521 -1.132 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.128 -1.451 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.833 -1.071 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.866 0.929 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.911 0.206 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.963 2.363 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.737 1.229 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.813 2.008 -4.276 1.00 0.00 H new ATOM 874 N LYS A 63 -8.381 -2.385 -6.795 1.00 0.00 N ATOM 875 CA LYS A 63 -8.334 -3.453 -7.772 1.00 0.00 C ATOM 876 C LYS A 63 -7.892 -4.797 -7.153 1.00 0.00 C ATOM 877 O LYS A 63 -8.136 -5.849 -7.739 1.00 0.00 O ATOM 878 CB LYS A 63 -7.406 -3.016 -8.916 1.00 0.00 C ATOM 879 CG LYS A 63 -8.168 -2.628 -10.190 1.00 0.00 C ATOM 880 CD LYS A 63 -8.960 -1.328 -9.988 1.00 0.00 C ATOM 881 CE LYS A 63 -9.799 -0.981 -11.224 1.00 0.00 C ATOM 882 NZ LYS A 63 -8.959 -0.682 -12.398 1.00 0.00 N ATOM 0 H LYS A 63 -7.668 -1.668 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.337 -3.630 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.805 -2.168 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.714 -3.827 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.465 -2.505 -11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.849 -3.432 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.613 -1.430 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.271 -0.511 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.463 -1.814 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.431 -0.121 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.562 -0.371 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.285 0.073 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.437 -1.537 -12.678 1.00 0.00 H new ATOM 896 N ALA A 64 -7.219 -4.775 -5.996 1.00 0.00 N ATOM 897 CA ALA A 64 -6.715 -5.949 -5.295 1.00 0.00 C ATOM 898 C ALA A 64 -7.764 -6.453 -4.298 1.00 0.00 C ATOM 899 O ALA A 64 -8.179 -5.711 -3.412 1.00 0.00 O ATOM 900 CB ALA A 64 -5.427 -5.550 -4.562 1.00 0.00 C ATOM 0 H ALA A 64 -7.006 -3.904 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.506 -6.753 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.030 -6.413 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.690 -5.200 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.645 -4.753 -3.851 1.00 0.00 H new ATOM 906 N SER A 65 -8.185 -7.716 -4.422 1.00 0.00 N ATOM 907 CA SER A 65 -9.134 -8.334 -3.513 1.00 0.00 C ATOM 908 C SER A 65 -8.406 -8.816 -2.249 1.00 0.00 C ATOM 909 O SER A 65 -7.231 -8.518 -2.059 1.00 0.00 O ATOM 910 CB SER A 65 -9.876 -9.459 -4.244 1.00 0.00 C ATOM 911 OG SER A 65 -10.055 -9.170 -5.618 1.00 0.00 O ATOM 0 H SER A 65 -7.869 -8.337 -5.166 1.00 0.00 H new ATOM 0 HA SER A 65 -9.882 -7.611 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.318 -10.389 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.848 -9.616 -3.777 1.00 0.00 H new ATOM 0 HG SER A 65 -9.242 -9.408 -6.111 1.00 0.00 H new ATOM 917 N ASP A 66 -9.062 -9.587 -1.379 1.00 0.00 N ATOM 918 CA ASP A 66 -8.457 -10.000 -0.114 1.00 0.00 C ATOM 919 C ASP A 66 -7.096 -10.693 -0.250 1.00 0.00 C ATOM 920 O ASP A 66 -6.139 -10.266 0.392 1.00 0.00 O ATOM 921 CB ASP A 66 -9.442 -10.831 0.726 1.00 0.00 C ATOM 922 CG ASP A 66 -9.646 -12.251 0.202 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.776 -12.389 -1.035 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.647 -13.173 1.045 1.00 0.00 O ATOM 0 H ASP A 66 -10.009 -9.936 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.240 -9.074 0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.079 -10.880 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.405 -10.321 0.752 1.00 0.00 H new ATOM 929 N GLU A 67 -6.991 -11.749 -1.064 1.00 0.00 N ATOM 930 CA GLU A 67 -5.743 -12.495 -1.210 1.00 0.00 C ATOM 931 C GLU A 67 -4.606 -11.564 -1.612 1.00 0.00 C ATOM 932 O GLU A 67 -3.517 -11.574 -1.041 1.00 0.00 O ATOM 933 CB GLU A 67 -5.915 -13.634 -2.228 1.00 0.00 C ATOM 934 CG GLU A 67 -4.793 -14.679 -2.111 1.00 0.00 C ATOM 935 CD GLU A 67 -4.709 -15.319 -0.724 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.786 -15.598 -0.151 1.00 0.00 O ATOM 937 OE2 GLU A 67 -3.568 -15.503 -0.250 1.00 0.00 O ATOM 0 H GLU A 67 -7.760 -12.105 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.487 -12.938 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.880 -14.117 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.924 -13.222 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.953 -15.459 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.839 -14.206 -2.345 1.00 0.00 H new ATOM 944 N GLU A 68 -4.897 -10.745 -2.613 1.00 0.00 N ATOM 945 CA GLU A 68 -4.029 -9.758 -3.162 1.00 0.00 C ATOM 946 C GLU A 68 -3.579 -8.804 -2.056 1.00 0.00 C ATOM 947 O GLU A 68 -2.383 -8.652 -1.838 1.00 0.00 O ATOM 948 CB GLU A 68 -4.855 -9.090 -4.255 1.00 0.00 C ATOM 949 CG GLU A 68 -5.269 -10.068 -5.363 1.00 0.00 C ATOM 950 CD GLU A 68 -6.735 -10.454 -5.263 1.00 0.00 C ATOM 951 OE1 GLU A 68 -7.062 -11.203 -4.317 1.00 0.00 O ATOM 952 OE2 GLU A 68 -7.513 -9.936 -6.093 1.00 0.00 O ATOM 0 H GLU A 68 -5.804 -10.768 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.106 -10.156 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.748 -8.649 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.280 -8.274 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.079 -9.615 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.653 -10.965 -5.303 1.00 0.00 H new ATOM 959 N LEU A 69 -4.524 -8.192 -1.338 1.00 0.00 N ATOM 960 CA LEU A 69 -4.232 -7.266 -0.247 1.00 0.00 C ATOM 961 C LEU A 69 -3.334 -7.923 0.808 1.00 0.00 C ATOM 962 O LEU A 69 -2.336 -7.330 1.222 1.00 0.00 O ATOM 963 CB LEU A 69 -5.537 -6.751 0.378 1.00 0.00 C ATOM 964 CG LEU A 69 -6.349 -5.857 -0.577 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.798 -5.762 -0.088 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.771 -4.443 -0.674 1.00 0.00 C ATOM 0 H LEU A 69 -5.522 -8.328 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.688 -6.414 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.149 -7.601 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.303 -6.189 1.282 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.303 -6.314 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.370 -5.129 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.240 -6.758 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.817 -5.331 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.376 -3.849 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.777 -3.979 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.747 -4.493 -1.045 1.00 0.00 H new ATOM 978 N LYS A 70 -3.672 -9.144 1.238 1.00 0.00 N ATOM 979 CA LYS A 70 -2.880 -9.893 2.204 1.00 0.00 C ATOM 980 C LYS A 70 -1.450 -10.032 1.683 1.00 0.00 C ATOM 981 O LYS A 70 -0.488 -9.744 2.392 1.00 0.00 O ATOM 982 CB LYS A 70 -3.505 -11.277 2.417 1.00 0.00 C ATOM 983 CG LYS A 70 -4.832 -11.223 3.185 1.00 0.00 C ATOM 984 CD LYS A 70 -5.696 -12.469 2.934 1.00 0.00 C ATOM 985 CE LYS A 70 -4.906 -13.775 3.074 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.766 -14.950 2.848 1.00 0.00 N ATOM 0 H LYS A 70 -4.507 -9.637 0.921 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.863 -9.365 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.671 -11.748 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.802 -11.907 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.629 -11.132 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.386 -10.332 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.529 -12.476 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.124 -12.414 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.082 -13.782 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.465 -13.831 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.392 -15.761 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.732 -14.740 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.781 -15.179 1.834 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.310 -10.463 0.430 1.00 0.00 N ATOM 1001 CA ALA A 71 -0.010 -10.635 -0.193 1.00 0.00 C ATOM 1002 C ALA A 71 0.736 -9.305 -0.336 1.00 0.00 C ATOM 1003 O ALA A 71 1.958 -9.272 -0.221 1.00 0.00 O ATOM 1004 CB ALA A 71 -0.191 -11.325 -1.545 1.00 0.00 C ATOM 0 H ALA A 71 -2.096 -10.701 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 71 0.607 -11.262 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.782 -11.458 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.658 -12.299 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.826 -10.712 -2.185 1.00 0.00 H new ATOM 1010 N LEU A 72 0.019 -8.206 -0.582 1.00 0.00 N ATOM 1011 CA LEU A 72 0.591 -6.881 -0.745 1.00 0.00 C ATOM 1012 C LEU A 72 1.244 -6.493 0.576 1.00 0.00 C ATOM 1013 O LEU A 72 2.414 -6.108 0.624 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.565 -5.957 -1.163 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.256 -4.779 -2.093 1.00 0.00 C ATOM 1016 CD1 LEU A 72 0.622 -5.172 -3.284 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -1.610 -4.271 -2.620 1.00 0.00 C ATOM 0 H LEU A 72 -0.997 -8.220 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 72 1.366 -6.820 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.323 -6.572 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.013 -5.554 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 72 0.296 -4.023 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.806 -4.296 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.572 -5.566 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.114 -5.935 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.446 -3.428 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.114 -5.072 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.230 -3.953 -1.782 1.00 0.00 H new ATOM 1029 N ALA A 73 0.467 -6.642 1.651 1.00 0.00 N ATOM 1030 CA ALA A 73 0.944 -6.424 3.004 1.00 0.00 C ATOM 1031 C ALA A 73 2.152 -7.315 3.288 1.00 0.00 C ATOM 1032 O ALA A 73 3.185 -6.825 3.739 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.182 -6.709 3.997 1.00 0.00 C ATOM 0 H ALA A 73 -0.513 -6.919 1.599 1.00 0.00 H new ATOM 0 HA ALA A 73 1.254 -5.385 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.178 -6.545 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.021 -6.042 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.508 -7.744 3.891 1.00 0.00 H new ATOM 1039 N ASP A 74 2.027 -8.622 3.024 1.00 0.00 N ATOM 1040 CA ASP A 74 3.096 -9.581 3.262 1.00 0.00 C ATOM 1041 C ASP A 74 4.388 -9.147 2.573 1.00 0.00 C ATOM 1042 O ASP A 74 5.431 -9.093 3.219 1.00 0.00 O ATOM 1043 CB ASP A 74 2.678 -10.977 2.792 1.00 0.00 C ATOM 1044 CG ASP A 74 3.808 -11.981 2.997 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.974 -12.419 4.155 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.490 -12.282 1.993 1.00 0.00 O ATOM 0 H ASP A 74 1.179 -9.037 2.639 1.00 0.00 H new ATOM 0 HA ASP A 74 3.284 -9.617 4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.794 -11.301 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.403 -10.943 1.738 1.00 0.00 H new ATOM 1051 N TYR A 75 4.318 -8.841 1.273 1.00 0.00 N ATOM 1052 CA TYR A 75 5.473 -8.425 0.493 1.00 0.00 C ATOM 1053 C TYR A 75 6.187 -7.258 1.172 1.00 0.00 C ATOM 1054 O TYR A 75 7.350 -7.359 1.561 1.00 0.00 O ATOM 1055 CB TYR A 75 5.018 -8.046 -0.924 1.00 0.00 C ATOM 1056 CG TYR A 75 6.150 -7.688 -1.866 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.614 -6.361 -1.940 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.767 -8.685 -2.644 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.677 -6.031 -2.795 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.800 -8.343 -3.536 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.236 -7.011 -3.631 1.00 0.00 C ATOM 1062 OH TYR A 75 9.179 -6.668 -4.554 1.00 0.00 O ATOM 0 H TYR A 75 3.451 -8.877 0.736 1.00 0.00 H new ATOM 0 HA TYR A 75 6.182 -9.250 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.457 -8.879 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.333 -7.201 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.150 -5.594 -1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.448 -9.713 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.065 -5.023 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.258 -9.105 -4.148 1.00 0.00 H new ATOM 0 HH TYR A 75 9.460 -7.467 -5.047 1.00 0.00 H new ATOM 1072 N MET A 76 5.482 -6.137 1.322 1.00 0.00 N ATOM 1073 CA MET A 76 6.082 -4.948 1.913 1.00 0.00 C ATOM 1074 C MET A 76 6.514 -5.177 3.359 1.00 0.00 C ATOM 1075 O MET A 76 7.511 -4.611 3.784 1.00 0.00 O ATOM 1076 CB MET A 76 5.157 -3.745 1.747 1.00 0.00 C ATOM 1077 CG MET A 76 5.125 -3.333 0.268 1.00 0.00 C ATOM 1078 SD MET A 76 4.302 -1.769 -0.091 1.00 0.00 S ATOM 1079 CE MET A 76 2.640 -2.217 0.421 1.00 0.00 C ATOM 0 H MET A 76 4.506 -6.030 1.045 1.00 0.00 H new ATOM 0 HA MET A 76 7.001 -4.725 1.371 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.152 -3.994 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.507 -2.915 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.151 -3.274 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.630 -4.121 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.962 -1.386 0.224 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.311 -3.094 -0.137 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.636 -2.443 1.487 1.00 0.00 H new ATOM 1089 N SER A 77 5.841 -6.047 4.112 1.00 0.00 N ATOM 1090 CA SER A 77 6.252 -6.343 5.481 1.00 0.00 C ATOM 1091 C SER A 77 7.661 -6.946 5.573 1.00 0.00 C ATOM 1092 O SER A 77 8.125 -7.174 6.690 1.00 0.00 O ATOM 1093 CB SER A 77 5.246 -7.293 6.137 1.00 0.00 C ATOM 1094 OG SER A 77 5.503 -7.404 7.527 1.00 0.00 O ATOM 0 H SER A 77 5.014 -6.555 3.798 1.00 0.00 H new ATOM 0 HA SER A 77 6.276 -5.390 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.232 -6.926 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.307 -8.276 5.670 1.00 0.00 H new ATOM 0 HG SER A 77 6.471 -7.395 7.682 1.00 0.00 H new ATOM 1100 N LYS A 78 8.314 -7.273 4.451 1.00 0.00 N ATOM 1101 CA LYS A 78 9.672 -7.793 4.457 1.00 0.00 C ATOM 1102 C LYS A 78 10.689 -6.648 4.556 1.00 0.00 C ATOM 1103 O LYS A 78 11.872 -6.919 4.754 1.00 0.00 O ATOM 1104 CB LYS A 78 9.903 -8.621 3.185 1.00 0.00 C ATOM 1105 CG LYS A 78 8.926 -9.803 3.103 1.00 0.00 C ATOM 1106 CD LYS A 78 8.998 -10.481 1.732 1.00 0.00 C ATOM 1107 CE LYS A 78 7.938 -11.584 1.646 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.892 -12.186 0.302 1.00 0.00 N ATOM 0 H LYS A 78 7.910 -7.182 3.519 1.00 0.00 H new ATOM 0 HA LYS A 78 9.809 -8.433 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.782 -7.985 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.928 -8.992 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.160 -10.527 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.910 -9.453 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.837 -9.746 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.990 -10.904 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.154 -12.356 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.960 -11.171 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.164 -12.929 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.661 -11.453 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.818 -12.602 0.076 1.00 0.00 H new ATOM 1122 N LEU A 79 10.257 -5.392 4.383 1.00 0.00 N ATOM 1123 CA LEU A 79 11.066 -4.218 4.403 1.00 0.00 C ATOM 1124 C LEU A 79 11.020 -3.576 5.788 1.00 0.00 C ATOM 1125 O LEU A 79 12.085 -3.514 6.439 1.00 0.00 O ATOM 1126 CB LEU A 79 10.389 -3.303 3.390 1.00 0.00 C ATOM 1127 CG LEU A 79 10.542 -3.725 1.922 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.690 -2.794 1.051 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.000 -3.698 1.454 1.00 0.00 C ATOM 1130 OXT LEU A 79 9.926 -3.079 6.142 1.00 0.00 O ATOM 0 H LEU A 79 9.273 -5.182 4.217 1.00 0.00 H new ATOM 0 HA LEU A 79 12.113 -4.417 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.326 -3.249 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.793 -2.297 3.506 1.00 0.00 H new ATOM 0 HG LEU A 79 10.202 -4.756 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.789 -3.083 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.645 -2.871 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.029 -1.766 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.053 -4.005 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.396 -2.688 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.590 -4.382 2.063 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.965 3.867 -0.961 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.558 4.561 2.328 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.194 0.641 -0.123 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.780 3.100 -4.262 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.122 7.211 -1.668 1.00 10.53 C HETATM 1148 NA HEC A 80 0.957 2.800 0.743 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.278 3.245 2.007 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.142 2.184 2.972 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.594 1.135 2.314 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.549 1.494 0.913 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.127 -0.171 2.887 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.457 2.297 4.439 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.258 2.702 5.300 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.690 2.982 6.730 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.115 2.037 7.392 1.00 18.65 O HETATM 1158 O2A HEC A 80 0.607 4.130 7.160 1.00 17.21 O HETATM 1159 NB HEC A 80 0.611 2.200 -1.991 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.318 0.953 -1.475 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.225 -0.009 -2.537 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.386 0.656 -3.712 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.595 2.052 -3.365 1.00 4.49 C HETATM 1164 CMB HEC A 80 0.056 -1.477 -2.300 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.411 0.069 -5.109 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.877 -0.653 -5.526 1.00 6.48 C HETATM 1167 NC HEC A 80 0.979 4.941 -2.628 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.907 4.445 -3.917 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.020 5.520 -4.869 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.222 6.665 -4.158 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.112 6.316 -2.748 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.989 5.322 -6.364 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.550 8.035 -4.703 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.344 8.745 -5.324 1.00 10.94 C HETATM 1175 ND HEC A 80 1.136 5.545 0.133 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.098 6.845 -0.319 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.934 7.746 0.812 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.964 6.984 1.947 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.262 5.637 1.506 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.658 9.224 0.686 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.602 7.421 3.362 1.00 9.04 C HETATM 1182 CBD HEC A 80 1.073 6.629 4.599 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.472 7.250 5.852 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.122 8.105 6.446 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.644 6.869 6.202 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.472 9.701 0.141 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.277 9.375 0.147 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.579 9.665 1.680 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.810 4.670 -6.662 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.042 4.866 -6.651 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.093 6.287 -6.861 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.901 -1.852 -1.722 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -0.867 -1.653 -1.748 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 0.011 -1.997 -3.257 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.963 -0.676 3.370 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.658 0.013 3.621 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.264 -0.800 2.087 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.769 5.586 4.515 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.161 6.640 4.660 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.044 8.148 -6.149 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.433 8.870 -4.570 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.649 9.723 -5.696 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.069 -1.479 -4.842 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.713 0.046 -5.494 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.766 -1.039 -6.539 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.215 3.589 4.878 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.488 1.907 5.290 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.968 8.441 3.481 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.486 7.465 3.411 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.840 1.340 4.793 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.253 3.029 4.575 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.151 8.276 -1.899 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.830 2.849 -5.321 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.208 -0.338 0.139 1.00 7.91 H new HETATM 0 HHA HEC A 80 2.040 4.764 3.284 1.00 5.52 H new