USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=28 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 59 ASN : amide:sc= -0.152! X(o=-0.15!,f=-0.17) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -124:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 MET CE :methyl -169:sc= -3.52! (180deg=-5.21!) USER MOD Set 2.2: A 76 MET CE :methyl -158:sc= -0.479 (180deg=-0.34) USER MOD Set 3.1: A 32 GLN : amide:sc= 2.96 K(o=4.1,f=-2.4) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0.478) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 160:sc= 1.96 (180deg=0.866) USER MOD Set 4.2: A 9 SER OG : rot 82:sc= 1.75 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.189 (180deg=0) USER MOD Single : A 7 TYR OH : rot -175:sc= 1.24 USER MOD Single : A 19 SER OG : rot 180:sc= -0.13 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.348 (180deg=0.256) USER MOD Single : A 23 MET CE :methyl -161:sc= -0.0873 (180deg=-0.443) USER MOD Single : A 25 SER OG : rot 113:sc= 0.978 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.01) USER MOD Single : A 38 TYR OH : rot -0:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= -0.0176 (180deg=-0.0273) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 59:sc= 0.83 USER MOD Single : A 49 TYR OH : rot 134:sc= 1.15 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0333) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 144:sc= -0.776 (180deg=-3.11!) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.925) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.38 (180deg=1.33) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -46:sc= 0.503 USER MOD Single : A 78 LYS NZ :NH3+ -121:sc= -0.0335 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.215 -13.261 -9.193 1.00 0.00 N ATOM 2 CA ALA A 1 3.476 -13.923 -8.103 1.00 0.00 C ATOM 3 C ALA A 1 2.694 -12.871 -7.325 1.00 0.00 C ATOM 4 O ALA A 1 2.978 -11.685 -7.504 1.00 0.00 O ATOM 5 CB ALA A 1 4.434 -14.674 -7.172 1.00 0.00 C ATOM 0 H1 ALA A 1 3.814 -13.548 -10.109 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.136 -12.229 -9.089 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.217 -13.538 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 1 2.787 -14.652 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.866 -15.154 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.974 -15.431 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.145 -13.971 -6.737 1.00 0.00 H new ATOM 13 N ASP A 2 1.733 -13.298 -6.502 1.00 0.00 N ATOM 14 CA ASP A 2 0.903 -12.417 -5.693 1.00 0.00 C ATOM 15 C ASP A 2 1.768 -11.440 -4.896 1.00 0.00 C ATOM 16 O ASP A 2 2.898 -11.752 -4.521 1.00 0.00 O ATOM 17 CB ASP A 2 0.020 -13.236 -4.738 1.00 0.00 C ATOM 18 CG ASP A 2 -0.903 -14.208 -5.468 1.00 0.00 C ATOM 19 OD1 ASP A 2 -0.349 -15.115 -6.130 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.135 -14.034 -5.350 1.00 0.00 O ATOM 0 H ASP A 2 1.510 -14.286 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 2 0.261 -11.846 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.657 -13.794 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.581 -12.556 -4.134 1.00 0.00 H new ATOM 25 N GLY A 3 1.240 -10.242 -4.655 1.00 0.00 N ATOM 26 CA GLY A 3 1.918 -9.183 -3.933 1.00 0.00 C ATOM 27 C GLY A 3 2.933 -8.521 -4.852 1.00 0.00 C ATOM 28 O GLY A 3 2.733 -7.398 -5.305 1.00 0.00 O ATOM 0 H GLY A 3 0.305 -9.980 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.196 -8.447 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.417 -9.588 -3.053 1.00 0.00 H new ATOM 32 N ALA A 4 3.989 -9.263 -5.174 1.00 0.00 N ATOM 33 CA ALA A 4 5.103 -8.814 -6.001 1.00 0.00 C ATOM 34 C ALA A 4 4.617 -8.231 -7.330 1.00 0.00 C ATOM 35 O ALA A 4 4.994 -7.120 -7.710 1.00 0.00 O ATOM 36 CB ALA A 4 6.063 -9.983 -6.235 1.00 0.00 C ATOM 0 H ALA A 4 4.095 -10.226 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 4 5.628 -8.016 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.897 -9.651 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.441 -10.341 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.535 -10.791 -6.742 1.00 0.00 H new ATOM 42 N ALA A 5 3.757 -8.989 -8.021 1.00 0.00 N ATOM 43 CA ALA A 5 3.193 -8.607 -9.309 1.00 0.00 C ATOM 44 C ALA A 5 2.527 -7.232 -9.268 1.00 0.00 C ATOM 45 O ALA A 5 2.509 -6.539 -10.280 1.00 0.00 O ATOM 46 CB ALA A 5 2.187 -9.665 -9.771 1.00 0.00 C ATOM 0 H ALA A 5 3.432 -9.898 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 5 4.017 -8.545 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.769 -9.373 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.690 -10.627 -9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.385 -9.749 -9.038 1.00 0.00 H new ATOM 52 N LEU A 6 1.964 -6.843 -8.122 1.00 0.00 N ATOM 53 CA LEU A 6 1.325 -5.548 -7.972 1.00 0.00 C ATOM 54 C LEU A 6 2.382 -4.536 -7.540 1.00 0.00 C ATOM 55 O LEU A 6 2.527 -3.480 -8.159 1.00 0.00 O ATOM 56 CB LEU A 6 0.187 -5.619 -6.945 1.00 0.00 C ATOM 57 CG LEU A 6 -0.817 -6.741 -7.245 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.542 -7.944 -6.336 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.247 -6.257 -6.997 1.00 0.00 C ATOM 0 H LEU A 6 1.942 -7.418 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 6 0.887 -5.240 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.609 -5.772 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.338 -4.664 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.706 -7.029 -8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.258 -8.736 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.469 -8.310 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.641 -7.642 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.947 -7.064 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.353 -5.955 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.461 -5.407 -7.645 1.00 0.00 H new ATOM 71 N TYR A 7 3.133 -4.891 -6.490 1.00 0.00 N ATOM 72 CA TYR A 7 4.144 -4.056 -5.869 1.00 0.00 C ATOM 73 C TYR A 7 5.071 -3.409 -6.887 1.00 0.00 C ATOM 74 O TYR A 7 5.357 -2.221 -6.758 1.00 0.00 O ATOM 75 CB TYR A 7 4.929 -4.807 -4.788 1.00 0.00 C ATOM 76 CG TYR A 7 5.730 -3.865 -3.906 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.063 -2.858 -3.181 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.136 -3.865 -3.953 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.794 -1.835 -2.555 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.867 -2.900 -3.236 1.00 0.00 C ATOM 81 CZ TYR A 7 7.195 -1.883 -2.536 1.00 0.00 C ATOM 82 OH TYR A 7 7.890 -0.934 -1.849 1.00 0.00 O ATOM 0 H TYR A 7 3.043 -5.802 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 7 3.607 -3.247 -5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.237 -5.381 -4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.603 -5.522 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.986 -2.873 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.655 -4.607 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.276 -1.010 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.946 -2.941 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 7 8.850 -1.060 -1.998 1.00 0.00 H new ATOM 92 N LYS A 8 5.499 -4.154 -7.912 1.00 0.00 N ATOM 93 CA LYS A 8 6.365 -3.622 -8.960 1.00 0.00 C ATOM 94 C LYS A 8 5.873 -2.273 -9.513 1.00 0.00 C ATOM 95 O LYS A 8 6.679 -1.440 -9.917 1.00 0.00 O ATOM 96 CB LYS A 8 6.561 -4.683 -10.049 1.00 0.00 C ATOM 97 CG LYS A 8 5.276 -5.030 -10.815 1.00 0.00 C ATOM 98 CD LYS A 8 5.201 -4.281 -12.156 1.00 0.00 C ATOM 99 CE LYS A 8 4.050 -4.780 -13.037 1.00 0.00 C ATOM 100 NZ LYS A 8 2.739 -4.595 -12.393 1.00 0.00 N ATOM 0 H LYS A 8 5.254 -5.137 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 8 7.339 -3.399 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.311 -4.329 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.957 -5.590 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.237 -6.104 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.408 -4.776 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.076 -3.215 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.143 -4.402 -12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.065 -4.247 -13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.197 -5.836 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.991 -4.618 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.579 -5.358 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.719 -3.678 -11.903 1.00 0.00 H new ATOM 114 N SER A 9 4.556 -2.049 -9.523 1.00 0.00 N ATOM 115 CA SER A 9 3.951 -0.799 -9.957 1.00 0.00 C ATOM 116 C SER A 9 4.060 0.248 -8.843 1.00 0.00 C ATOM 117 O SER A 9 4.449 1.392 -9.073 1.00 0.00 O ATOM 118 CB SER A 9 2.471 -1.032 -10.308 1.00 0.00 C ATOM 119 OG SER A 9 2.231 -2.374 -10.688 1.00 0.00 O ATOM 0 H SER A 9 3.874 -2.746 -9.224 1.00 0.00 H new ATOM 0 HA SER A 9 4.477 -0.436 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.849 -0.779 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.180 -0.366 -11.120 1.00 0.00 H new ATOM 0 HG SER A 9 2.136 -2.929 -9.886 1.00 0.00 H new ATOM 125 N CYS A 10 3.709 -0.167 -7.622 1.00 0.00 N ATOM 126 CA CYS A 10 3.654 0.656 -6.421 1.00 0.00 C ATOM 127 C CYS A 10 5.023 1.285 -6.167 1.00 0.00 C ATOM 128 O CYS A 10 5.123 2.440 -5.742 1.00 0.00 O ATOM 129 CB CYS A 10 3.183 -0.189 -5.224 1.00 0.00 C ATOM 130 SG CYS A 10 1.775 -1.326 -5.477 1.00 0.00 S ATOM 0 H CYS A 10 3.443 -1.135 -7.441 1.00 0.00 H new ATOM 0 HA CYS A 10 2.933 1.462 -6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.031 -0.780 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.920 0.494 -4.416 1.00 0.00 H new ATOM 135 N ILE A 11 6.080 0.520 -6.471 1.00 0.00 N ATOM 136 CA ILE A 11 7.467 0.957 -6.399 1.00 0.00 C ATOM 137 C ILE A 11 7.641 2.336 -7.038 1.00 0.00 C ATOM 138 O ILE A 11 8.447 3.123 -6.542 1.00 0.00 O ATOM 139 CB ILE A 11 8.394 -0.094 -7.046 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.541 -1.285 -6.083 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.775 0.465 -7.435 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.505 -2.371 -6.572 1.00 0.00 C ATOM 0 H ILE A 11 5.983 -0.447 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 11 7.749 1.051 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 11 7.932 -0.412 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.886 -0.917 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.560 -1.731 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.375 -0.327 -7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.650 1.276 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.279 0.842 -6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.552 -3.174 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.152 -2.770 -7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.498 -1.943 -6.705 1.00 0.00 H new ATOM 154 N GLY A 12 6.887 2.628 -8.109 1.00 0.00 N ATOM 155 CA GLY A 12 6.906 3.908 -8.802 1.00 0.00 C ATOM 156 C GLY A 12 6.914 5.087 -7.828 1.00 0.00 C ATOM 157 O GLY A 12 7.596 6.078 -8.074 1.00 0.00 O ATOM 0 H GLY A 12 6.235 1.960 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.787 3.961 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.034 3.981 -9.452 1.00 0.00 H new ATOM 161 N CYS A 13 6.159 4.974 -6.729 1.00 0.00 N ATOM 162 CA CYS A 13 6.149 5.982 -5.673 1.00 0.00 C ATOM 163 C CYS A 13 6.937 5.467 -4.476 1.00 0.00 C ATOM 164 O CYS A 13 7.751 6.194 -3.916 1.00 0.00 O ATOM 165 CB CYS A 13 4.725 6.324 -5.228 1.00 0.00 C ATOM 166 SG CYS A 13 3.768 7.324 -6.398 1.00 0.00 S ATOM 0 H CYS A 13 5.541 4.182 -6.551 1.00 0.00 H new ATOM 0 HA CYS A 13 6.606 6.888 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.186 5.394 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.777 6.856 -4.278 1.00 0.00 H new ATOM 171 N HIS A 14 6.694 4.215 -4.073 1.00 0.00 N ATOM 172 CA HIS A 14 7.274 3.631 -2.868 1.00 0.00 C ATOM 173 C HIS A 14 8.801 3.499 -2.859 1.00 0.00 C ATOM 174 O HIS A 14 9.381 3.259 -1.800 1.00 0.00 O ATOM 175 CB HIS A 14 6.519 2.346 -2.521 1.00 0.00 C ATOM 176 CG HIS A 14 5.162 2.695 -1.962 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.038 3.277 -0.714 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.896 2.737 -2.500 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.750 3.596 -0.547 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.991 3.282 -1.589 1.00 0.00 N ATOM 0 H HIS A 14 6.083 3.576 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 14 7.130 4.348 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.409 1.725 -3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.085 1.764 -1.794 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.791 3.434 -0.044 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.638 2.395 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.366 4.063 0.348 1.00 0.00 H new ATOM 188 N GLY A 15 9.468 3.670 -4.000 1.00 0.00 N ATOM 189 CA GLY A 15 10.921 3.733 -4.031 1.00 0.00 C ATOM 190 C GLY A 15 11.586 2.439 -3.572 1.00 0.00 C ATOM 191 O GLY A 15 12.575 2.481 -2.842 1.00 0.00 O ATOM 0 H GLY A 15 9.022 3.767 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.247 3.962 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.257 4.552 -3.395 1.00 0.00 H new ATOM 195 N ALA A 16 11.045 1.297 -4.007 1.00 0.00 N ATOM 196 CA ALA A 16 11.538 -0.047 -3.718 1.00 0.00 C ATOM 197 C ALA A 16 11.433 -0.400 -2.233 1.00 0.00 C ATOM 198 O ALA A 16 10.619 -1.240 -1.858 1.00 0.00 O ATOM 199 CB ALA A 16 12.957 -0.250 -4.268 1.00 0.00 C ATOM 0 H ALA A 16 10.213 1.287 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 16 10.886 -0.748 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.296 -1.260 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.952 -0.107 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.632 0.473 -3.810 1.00 0.00 H new ATOM 205 N ASP A 17 12.249 0.239 -1.395 1.00 0.00 N ATOM 206 CA ASP A 17 12.322 -0.009 0.036 1.00 0.00 C ATOM 207 C ASP A 17 10.997 0.286 0.735 1.00 0.00 C ATOM 208 O ASP A 17 10.544 -0.507 1.551 1.00 0.00 O ATOM 209 CB ASP A 17 13.444 0.835 0.653 1.00 0.00 C ATOM 210 CG ASP A 17 14.822 0.414 0.154 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.155 0.803 -0.986 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.516 -0.288 0.921 1.00 0.00 O ATOM 0 H ASP A 17 12.895 0.964 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 17 12.538 -1.068 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.279 1.886 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.409 0.745 1.739 1.00 0.00 H new ATOM 217 N GLY A 18 10.399 1.443 0.437 1.00 0.00 N ATOM 218 CA GLY A 18 9.159 1.903 1.042 1.00 0.00 C ATOM 219 C GLY A 18 9.340 3.239 1.765 1.00 0.00 C ATOM 220 O GLY A 18 8.353 3.923 2.037 1.00 0.00 O ATOM 0 H GLY A 18 10.778 2.097 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.396 2.008 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.799 1.154 1.747 1.00 0.00 H new ATOM 224 N SER A 19 10.579 3.639 2.077 1.00 0.00 N ATOM 225 CA SER A 19 10.893 4.879 2.787 1.00 0.00 C ATOM 226 C SER A 19 10.853 6.113 1.880 1.00 0.00 C ATOM 227 O SER A 19 11.734 6.967 1.952 1.00 0.00 O ATOM 228 CB SER A 19 12.270 4.750 3.445 1.00 0.00 C ATOM 229 OG SER A 19 12.344 3.537 4.161 1.00 0.00 O ATOM 0 H SER A 19 11.408 3.095 1.836 1.00 0.00 H new ATOM 0 HA SER A 19 10.123 5.027 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.051 4.783 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.443 5.591 4.117 1.00 0.00 H new ATOM 0 HG SER A 19 13.227 3.457 4.579 1.00 0.00 H new ATOM 235 N LYS A 20 9.843 6.202 1.019 1.00 0.00 N ATOM 236 CA LYS A 20 9.673 7.310 0.098 1.00 0.00 C ATOM 237 C LYS A 20 9.074 8.554 0.768 1.00 0.00 C ATOM 238 O LYS A 20 8.691 8.537 1.936 1.00 0.00 O ATOM 239 CB LYS A 20 8.791 6.839 -1.061 1.00 0.00 C ATOM 240 CG LYS A 20 7.285 6.921 -0.782 1.00 0.00 C ATOM 241 CD LYS A 20 6.783 6.163 0.453 1.00 0.00 C ATOM 242 CE LYS A 20 5.287 6.425 0.635 1.00 0.00 C ATOM 243 NZ LYS A 20 4.755 5.743 1.827 1.00 0.00 N ATOM 0 H LYS A 20 9.112 5.494 0.944 1.00 0.00 H new ATOM 0 HA LYS A 20 10.655 7.612 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.019 7.439 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.048 5.808 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.013 7.971 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.754 6.543 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.965 5.095 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.330 6.485 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.113 7.498 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.748 6.085 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.716 5.742 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.102 4.763 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.072 6.242 2.683 1.00 0.00 H new ATOM 257 N ALA A 21 8.935 9.610 -0.035 1.00 0.00 N ATOM 258 CA ALA A 21 8.219 10.840 0.264 1.00 0.00 C ATOM 259 C ALA A 21 7.297 11.001 -0.944 1.00 0.00 C ATOM 260 O ALA A 21 7.686 11.592 -1.947 1.00 0.00 O ATOM 261 CB ALA A 21 9.204 12.003 0.419 1.00 0.00 C ATOM 0 H ALA A 21 9.347 9.625 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 21 7.662 10.820 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.655 12.918 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.896 11.787 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.763 12.133 -0.508 1.00 0.00 H new ATOM 267 N ALA A 22 6.129 10.354 -0.882 1.00 0.00 N ATOM 268 CA ALA A 22 5.180 10.300 -1.986 1.00 0.00 C ATOM 269 C ALA A 22 4.364 11.597 -2.063 1.00 0.00 C ATOM 270 O ALA A 22 4.863 12.663 -1.712 1.00 0.00 O ATOM 271 CB ALA A 22 4.338 9.019 -1.856 1.00 0.00 C ATOM 0 H ALA A 22 5.817 9.849 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 22 5.697 10.240 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.624 8.968 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.993 8.148 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.800 9.032 -0.908 1.00 0.00 H new ATOM 277 N MET A 23 3.109 11.525 -2.520 1.00 0.00 N ATOM 278 CA MET A 23 2.247 12.691 -2.687 1.00 0.00 C ATOM 279 C MET A 23 1.745 13.263 -1.349 1.00 0.00 C ATOM 280 O MET A 23 0.546 13.284 -1.080 1.00 0.00 O ATOM 281 CB MET A 23 1.120 12.368 -3.685 1.00 0.00 C ATOM 282 CG MET A 23 0.221 11.180 -3.306 1.00 0.00 C ATOM 283 SD MET A 23 -1.096 10.807 -4.490 1.00 0.00 S ATOM 284 CE MET A 23 -2.031 12.351 -4.437 1.00 0.00 C ATOM 0 H MET A 23 2.663 10.647 -2.785 1.00 0.00 H new ATOM 0 HA MET A 23 2.841 13.500 -3.113 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.494 13.253 -3.798 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.567 12.167 -4.659 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.845 10.294 -3.190 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.231 11.381 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.034 12.183 -4.830 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.099 12.700 -3.407 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.526 13.103 -5.043 1.00 0.00 H new ATOM 294 N GLY A 24 2.669 13.758 -0.522 1.00 0.00 N ATOM 295 CA GLY A 24 2.409 14.350 0.781 1.00 0.00 C ATOM 296 C GLY A 24 3.282 13.684 1.840 1.00 0.00 C ATOM 297 O GLY A 24 4.156 12.875 1.524 1.00 0.00 O ATOM 0 H GLY A 24 3.661 13.754 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.613 15.420 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.357 14.233 1.039 1.00 0.00 H new ATOM 301 N SER A 25 3.045 14.024 3.109 1.00 0.00 N ATOM 302 CA SER A 25 3.727 13.476 4.269 1.00 0.00 C ATOM 303 C SER A 25 3.255 12.038 4.516 1.00 0.00 C ATOM 304 O SER A 25 2.629 11.732 5.532 1.00 0.00 O ATOM 305 CB SER A 25 3.423 14.402 5.451 1.00 0.00 C ATOM 306 OG SER A 25 2.076 14.853 5.374 1.00 0.00 O ATOM 0 H SER A 25 2.342 14.719 3.360 1.00 0.00 H new ATOM 0 HA SER A 25 4.806 13.427 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.586 13.874 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.103 15.254 5.442 1.00 0.00 H new ATOM 0 HG SER A 25 1.562 14.476 6.118 1.00 0.00 H new ATOM 312 N ALA A 26 3.541 11.160 3.559 1.00 0.00 N ATOM 313 CA ALA A 26 3.151 9.764 3.594 1.00 0.00 C ATOM 314 C ALA A 26 4.022 9.011 4.592 1.00 0.00 C ATOM 315 O ALA A 26 5.246 9.136 4.534 1.00 0.00 O ATOM 316 CB ALA A 26 3.317 9.185 2.190 1.00 0.00 C ATOM 0 H ALA A 26 4.063 11.411 2.720 1.00 0.00 H new ATOM 0 HA ALA A 26 2.112 9.666 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.029 8.134 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.683 9.733 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.358 9.275 1.880 1.00 0.00 H new ATOM 322 N LYS A 27 3.427 8.236 5.507 1.00 0.00 N ATOM 323 CA LYS A 27 4.239 7.457 6.435 1.00 0.00 C ATOM 324 C LYS A 27 5.045 6.459 5.597 1.00 0.00 C ATOM 325 O LYS A 27 4.521 5.938 4.611 1.00 0.00 O ATOM 326 CB LYS A 27 3.410 6.721 7.502 1.00 0.00 C ATOM 327 CG LYS A 27 2.075 7.365 7.887 1.00 0.00 C ATOM 328 CD LYS A 27 2.191 8.830 8.336 1.00 0.00 C ATOM 329 CE LYS A 27 0.797 9.409 8.598 1.00 0.00 C ATOM 330 NZ LYS A 27 0.862 10.857 8.858 1.00 0.00 N ATOM 0 H LYS A 27 2.418 8.136 5.620 1.00 0.00 H new ATOM 0 HA LYS A 27 4.887 8.134 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.212 5.711 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.017 6.627 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.398 7.310 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.622 6.785 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.797 8.895 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.699 9.415 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.154 9.220 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.345 8.904 9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.096 11.222 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.457 11.033 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.272 11.340 8.033 1.00 0.00 H new ATOM 344 N PRO A 28 6.311 6.188 5.933 1.00 0.00 N ATOM 345 CA PRO A 28 7.117 5.283 5.141 1.00 0.00 C ATOM 346 C PRO A 28 6.539 3.872 5.214 1.00 0.00 C ATOM 347 O PRO A 28 6.101 3.423 6.271 1.00 0.00 O ATOM 348 CB PRO A 28 8.525 5.379 5.734 1.00 0.00 C ATOM 349 CG PRO A 28 8.270 5.770 7.190 1.00 0.00 C ATOM 350 CD PRO A 28 7.042 6.675 7.088 1.00 0.00 C ATOM 0 HA PRO A 28 7.134 5.538 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.058 4.431 5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.129 6.125 5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.079 4.898 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.123 6.293 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.435 6.619 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.330 7.719 6.961 1.00 0.00 H new ATOM 358 N VAL A 29 6.522 3.180 4.076 1.00 0.00 N ATOM 359 CA VAL A 29 5.960 1.842 3.957 1.00 0.00 C ATOM 360 C VAL A 29 6.922 0.778 4.472 1.00 0.00 C ATOM 361 O VAL A 29 6.470 -0.251 4.973 1.00 0.00 O ATOM 362 CB VAL A 29 5.564 1.606 2.485 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.794 0.182 1.968 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.076 1.927 2.323 1.00 0.00 C ATOM 0 H VAL A 29 6.904 3.540 3.201 1.00 0.00 H new ATOM 0 HA VAL A 29 5.071 1.763 4.582 1.00 0.00 H new ATOM 0 HB VAL A 29 6.213 2.256 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.485 0.119 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.852 -0.068 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.209 -0.520 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.780 1.765 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.491 1.277 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.897 2.968 2.593 1.00 0.00 H new ATOM 374 N LYS A 30 8.229 1.019 4.310 1.00 0.00 N ATOM 375 CA LYS A 30 9.295 0.077 4.622 1.00 0.00 C ATOM 376 C LYS A 30 9.034 -0.643 5.947 1.00 0.00 C ATOM 377 O LYS A 30 9.273 -0.084 7.016 1.00 0.00 O ATOM 378 CB LYS A 30 10.649 0.797 4.625 1.00 0.00 C ATOM 379 CG LYS A 30 11.809 -0.207 4.703 1.00 0.00 C ATOM 380 CD LYS A 30 13.162 0.512 4.794 1.00 0.00 C ATOM 381 CE LYS A 30 14.337 -0.465 4.666 1.00 0.00 C ATOM 382 NZ LYS A 30 14.289 -1.528 5.685 1.00 0.00 N ATOM 0 H LYS A 30 8.578 1.906 3.946 1.00 0.00 H new ATOM 0 HA LYS A 30 9.318 -0.689 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.746 1.400 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.699 1.481 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.678 -0.851 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.795 -0.851 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.227 1.264 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.230 1.039 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.327 -0.915 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.275 0.083 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.181 -2.062 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.154 -1.103 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.498 -2.171 5.479 1.00 0.00 H new ATOM 396 N GLY A 31 8.510 -1.865 5.865 1.00 0.00 N ATOM 397 CA GLY A 31 8.236 -2.704 7.008 1.00 0.00 C ATOM 398 C GLY A 31 7.426 -2.061 8.130 1.00 0.00 C ATOM 399 O GLY A 31 7.804 -2.204 9.291 1.00 0.00 O ATOM 0 H GLY A 31 8.262 -2.300 4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.703 -3.590 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.186 -3.043 7.421 1.00 0.00 H new ATOM 403 N GLN A 32 6.299 -1.399 7.820 1.00 0.00 N ATOM 404 CA GLN A 32 5.399 -0.919 8.892 1.00 0.00 C ATOM 405 C GLN A 32 5.060 -2.116 9.791 1.00 0.00 C ATOM 406 O GLN A 32 5.128 -2.082 11.016 1.00 0.00 O ATOM 407 CB GLN A 32 4.101 -0.265 8.375 1.00 0.00 C ATOM 408 CG GLN A 32 4.315 0.662 7.177 1.00 0.00 C ATOM 409 CD GLN A 32 3.124 1.587 6.890 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.978 1.174 7.041 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.370 2.821 6.445 1.00 0.00 N ATOM 0 H GLN A 32 5.993 -1.187 6.870 1.00 0.00 H new ATOM 0 HA GLN A 32 5.923 -0.135 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.396 -1.048 8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.643 0.302 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.202 1.271 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.515 0.057 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.332 3.139 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.596 3.446 6.221 1.00 0.00 H new ATOM 420 N GLY A 33 4.701 -3.178 9.083 1.00 0.00 N ATOM 421 CA GLY A 33 4.436 -4.537 9.536 1.00 0.00 C ATOM 422 C GLY A 33 3.317 -5.137 8.713 1.00 0.00 C ATOM 423 O GLY A 33 2.441 -4.417 8.258 1.00 0.00 O ATOM 0 H GLY A 33 4.575 -3.101 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.336 -5.144 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.163 -4.533 10.591 1.00 0.00 H new ATOM 427 N ALA A 34 3.329 -6.447 8.510 1.00 0.00 N ATOM 428 CA ALA A 34 2.304 -7.137 7.750 1.00 0.00 C ATOM 429 C ALA A 34 0.911 -6.823 8.282 1.00 0.00 C ATOM 430 O ALA A 34 0.005 -6.554 7.504 1.00 0.00 O ATOM 431 CB ALA A 34 2.579 -8.634 7.804 1.00 0.00 C ATOM 0 H ALA A 34 4.057 -7.063 8.872 1.00 0.00 H new ATOM 0 HA ALA A 34 2.335 -6.794 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.815 -9.165 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.559 -8.840 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.560 -8.970 8.841 1.00 0.00 H new ATOM 437 N GLU A 35 0.742 -6.838 9.604 1.00 0.00 N ATOM 438 CA GLU A 35 -0.503 -6.564 10.269 1.00 0.00 C ATOM 439 C GLU A 35 -0.969 -5.152 9.910 1.00 0.00 C ATOM 440 O GLU A 35 -2.074 -4.966 9.403 1.00 0.00 O ATOM 441 CB GLU A 35 -0.250 -6.716 11.773 1.00 0.00 C ATOM 442 CG GLU A 35 -0.006 -8.167 12.229 1.00 0.00 C ATOM 443 CD GLU A 35 1.350 -8.744 11.824 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.283 -7.935 11.617 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.428 -9.986 11.716 1.00 0.00 O ATOM 0 H GLU A 35 1.502 -7.050 10.251 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.291 -7.251 9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.614 -6.111 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.106 -6.315 12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.095 -8.212 13.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.792 -8.800 11.818 1.00 0.00 H new ATOM 452 N GLU A 36 -0.099 -4.170 10.166 1.00 0.00 N ATOM 453 CA GLU A 36 -0.300 -2.772 9.906 1.00 0.00 C ATOM 454 C GLU A 36 -0.708 -2.581 8.450 1.00 0.00 C ATOM 455 O GLU A 36 -1.774 -2.051 8.150 1.00 0.00 O ATOM 456 CB GLU A 36 1.059 -2.118 10.182 1.00 0.00 C ATOM 457 CG GLU A 36 1.358 -1.887 11.663 1.00 0.00 C ATOM 458 CD GLU A 36 0.465 -0.801 12.254 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.628 0.361 11.825 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.378 -1.157 13.107 1.00 0.00 O ATOM 0 H GLU A 36 0.812 -4.358 10.584 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.086 -2.335 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.843 -2.745 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.101 -1.161 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.213 -2.817 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.404 -1.604 11.784 1.00 0.00 H new ATOM 467 N LEU A 37 0.169 -3.021 7.551 1.00 0.00 N ATOM 468 CA LEU A 37 -0.024 -2.906 6.124 1.00 0.00 C ATOM 469 C LEU A 37 -1.366 -3.525 5.747 1.00 0.00 C ATOM 470 O LEU A 37 -2.203 -2.812 5.210 1.00 0.00 O ATOM 471 CB LEU A 37 1.155 -3.549 5.383 1.00 0.00 C ATOM 472 CG LEU A 37 2.454 -2.729 5.497 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.672 -3.630 5.279 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.481 -1.597 4.465 1.00 0.00 C ATOM 0 H LEU A 37 1.046 -3.474 7.807 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.050 -1.858 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.326 -4.549 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.896 -3.666 4.331 1.00 0.00 H new ATOM 0 HG LEU A 37 2.488 -2.299 6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.583 -3.037 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.681 -4.418 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.620 -4.078 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.409 -1.034 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.421 -2.018 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.633 -0.933 4.631 1.00 0.00 H new ATOM 486 N TYR A 38 -1.598 -4.810 6.044 1.00 0.00 N ATOM 487 CA TYR A 38 -2.839 -5.509 5.717 1.00 0.00 C ATOM 488 C TYR A 38 -4.039 -4.657 6.081 1.00 0.00 C ATOM 489 O TYR A 38 -4.883 -4.346 5.244 1.00 0.00 O ATOM 490 CB TYR A 38 -2.953 -6.847 6.449 1.00 0.00 C ATOM 491 CG TYR A 38 -4.096 -7.757 6.000 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.636 -7.689 4.696 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.646 -8.670 6.920 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.752 -8.467 4.346 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.735 -9.482 6.553 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.293 -9.376 5.269 1.00 0.00 C ATOM 497 OH TYR A 38 -7.365 -10.144 4.930 1.00 0.00 O ATOM 0 H TYR A 38 -0.917 -5.398 6.525 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.820 -5.697 4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.014 -7.387 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.070 -6.648 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.188 -7.034 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.229 -8.748 7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.194 -8.366 3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.143 -10.189 7.261 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.638 -9.937 4.012 1.00 0.00 H new ATOM 507 N LYS A 39 -4.079 -4.297 7.360 1.00 0.00 N ATOM 508 CA LYS A 39 -5.117 -3.450 7.922 1.00 0.00 C ATOM 509 C LYS A 39 -5.315 -2.201 7.067 1.00 0.00 C ATOM 510 O LYS A 39 -6.440 -1.869 6.705 1.00 0.00 O ATOM 511 CB LYS A 39 -4.728 -3.082 9.353 1.00 0.00 C ATOM 512 CG LYS A 39 -5.903 -2.568 10.185 1.00 0.00 C ATOM 513 CD LYS A 39 -5.399 -2.389 11.620 1.00 0.00 C ATOM 514 CE LYS A 39 -6.495 -1.882 12.564 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.958 -0.532 12.198 1.00 0.00 N ATOM 0 H LYS A 39 -3.380 -4.591 8.042 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.065 -3.988 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.300 -3.957 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.950 -2.319 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.272 -1.623 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.734 -3.273 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.016 -3.340 11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.565 -1.687 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.338 -2.572 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.116 -1.871 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.611 -0.179 12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.141 0.108 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.450 -0.570 11.282 1.00 0.00 H new ATOM 529 N LYS A 40 -4.225 -1.504 6.751 1.00 0.00 N ATOM 530 CA LYS A 40 -4.288 -0.320 5.909 1.00 0.00 C ATOM 531 C LYS A 40 -4.794 -0.650 4.494 1.00 0.00 C ATOM 532 O LYS A 40 -5.721 0.025 4.051 1.00 0.00 O ATOM 533 CB LYS A 40 -2.955 0.444 5.917 1.00 0.00 C ATOM 534 CG LYS A 40 -2.931 1.542 7.000 1.00 0.00 C ATOM 535 CD LYS A 40 -2.556 1.044 8.402 1.00 0.00 C ATOM 536 CE LYS A 40 -1.045 0.817 8.549 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.289 2.080 8.623 1.00 0.00 N ATOM 0 H LYS A 40 -3.286 -1.743 7.069 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.029 0.356 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.136 -0.255 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.788 0.895 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.222 2.314 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.914 2.011 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.887 1.770 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.084 0.113 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.855 0.230 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.685 0.231 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.642 1.954 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.813 2.828 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.162 2.351 9.619 1.00 0.00 H new ATOM 551 N MET A 41 -4.246 -1.639 3.765 1.00 0.00 N ATOM 552 CA MET A 41 -4.775 -1.981 2.451 1.00 0.00 C ATOM 553 C MET A 41 -6.278 -2.273 2.538 1.00 0.00 C ATOM 554 O MET A 41 -7.033 -1.798 1.691 1.00 0.00 O ATOM 555 CB MET A 41 -4.015 -3.109 1.717 1.00 0.00 C ATOM 556 CG MET A 41 -2.853 -3.876 2.356 1.00 0.00 C ATOM 557 SD MET A 41 -1.253 -3.058 2.419 1.00 0.00 S ATOM 558 CE MET A 41 -1.015 -2.715 0.668 1.00 0.00 C ATOM 0 H MET A 41 -3.450 -2.202 4.065 1.00 0.00 H new ATOM 0 HA MET A 41 -4.614 -1.100 1.830 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.760 -3.853 1.434 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.631 -2.675 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.140 -4.133 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.730 -4.814 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.010 -2.386 0.498 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.207 -3.619 0.091 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.704 -1.931 0.354 1.00 0.00 H new ATOM 568 N LYS A 42 -6.725 -3.026 3.553 1.00 0.00 N ATOM 569 CA LYS A 42 -8.151 -3.263 3.748 1.00 0.00 C ATOM 570 C LYS A 42 -8.858 -1.921 3.941 1.00 0.00 C ATOM 571 O LYS A 42 -9.855 -1.648 3.286 1.00 0.00 O ATOM 572 CB LYS A 42 -8.415 -4.167 4.958 1.00 0.00 C ATOM 573 CG LYS A 42 -7.958 -5.612 4.736 1.00 0.00 C ATOM 574 CD LYS A 42 -8.344 -6.479 5.945 1.00 0.00 C ATOM 575 CE LYS A 42 -9.599 -7.322 5.683 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.784 -6.488 5.416 1.00 0.00 N ATOM 0 H LYS A 42 -6.122 -3.475 4.242 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.538 -3.772 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.901 -3.759 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.481 -4.160 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.416 -6.012 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.879 -5.642 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.513 -7.138 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.515 -5.837 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.421 -7.981 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.793 -7.960 6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.614 -7.099 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.951 -5.853 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.624 -5.922 4.558 1.00 0.00 H new ATOM 590 N GLY A 43 -8.329 -1.078 4.829 1.00 0.00 N ATOM 591 CA GLY A 43 -8.852 0.242 5.130 1.00 0.00 C ATOM 592 C GLY A 43 -9.085 1.054 3.859 1.00 0.00 C ATOM 593 O GLY A 43 -10.149 1.655 3.697 1.00 0.00 O ATOM 0 H GLY A 43 -7.498 -1.309 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.789 0.147 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.154 0.772 5.779 1.00 0.00 H new ATOM 597 N TYR A 44 -8.081 1.106 2.983 1.00 0.00 N ATOM 598 CA TYR A 44 -8.170 1.800 1.707 1.00 0.00 C ATOM 599 C TYR A 44 -9.228 1.119 0.831 1.00 0.00 C ATOM 600 O TYR A 44 -10.140 1.774 0.330 1.00 0.00 O ATOM 601 CB TYR A 44 -6.811 1.792 0.995 1.00 0.00 C ATOM 602 CG TYR A 44 -5.793 2.833 1.435 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.945 4.164 1.003 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.592 2.447 2.064 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.913 5.099 1.197 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.581 3.397 2.304 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.735 4.717 1.853 1.00 0.00 C ATOM 608 OH TYR A 44 -2.708 5.605 1.974 1.00 0.00 O ATOM 0 H TYR A 44 -7.177 0.662 3.145 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.457 2.836 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.366 0.806 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.988 1.921 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.861 4.469 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.447 1.419 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.028 6.112 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.686 3.110 2.836 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.966 5.183 2.455 1.00 0.00 H new ATOM 618 N ALA A 45 -9.119 -0.200 0.640 1.00 0.00 N ATOM 619 CA ALA A 45 -10.049 -0.973 -0.177 1.00 0.00 C ATOM 620 C ALA A 45 -11.501 -0.764 0.264 1.00 0.00 C ATOM 621 O ALA A 45 -12.398 -0.687 -0.570 1.00 0.00 O ATOM 622 CB ALA A 45 -9.667 -2.455 -0.142 1.00 0.00 C ATOM 0 H ALA A 45 -8.375 -0.762 1.053 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.977 -0.617 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.366 -3.025 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.657 -2.580 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.706 -2.817 0.886 1.00 0.00 H new ATOM 628 N ASP A 46 -11.729 -0.627 1.571 1.00 0.00 N ATOM 629 CA ASP A 46 -13.026 -0.404 2.179 1.00 0.00 C ATOM 630 C ASP A 46 -13.376 1.090 2.221 1.00 0.00 C ATOM 631 O ASP A 46 -14.256 1.484 2.984 1.00 0.00 O ATOM 632 CB ASP A 46 -12.989 -0.990 3.600 1.00 0.00 C ATOM 633 CG ASP A 46 -12.750 -2.499 3.649 1.00 0.00 C ATOM 634 OD1 ASP A 46 -13.139 -3.183 2.677 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.194 -2.951 4.675 1.00 0.00 O ATOM 0 H ASP A 46 -10.977 -0.672 2.258 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.797 -0.894 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.203 -0.490 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.933 -0.766 4.098 1.00 0.00 H new ATOM 640 N GLY A 47 -12.676 1.935 1.452 1.00 0.00 N ATOM 641 CA GLY A 47 -12.900 3.375 1.374 1.00 0.00 C ATOM 642 C GLY A 47 -13.007 4.034 2.748 1.00 0.00 C ATOM 643 O GLY A 47 -13.771 4.980 2.919 1.00 0.00 O ATOM 0 H GLY A 47 -11.915 1.620 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.083 3.835 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.815 3.566 0.813 1.00 0.00 H new ATOM 647 N SER A 48 -12.234 3.536 3.718 1.00 0.00 N ATOM 648 CA SER A 48 -12.254 3.997 5.097 1.00 0.00 C ATOM 649 C SER A 48 -10.941 4.706 5.425 1.00 0.00 C ATOM 650 O SER A 48 -10.934 5.888 5.766 1.00 0.00 O ATOM 651 CB SER A 48 -12.518 2.795 6.009 1.00 0.00 C ATOM 652 OG SER A 48 -13.758 2.194 5.678 1.00 0.00 O ATOM 0 H SER A 48 -11.564 2.784 3.556 1.00 0.00 H new ATOM 0 HA SER A 48 -13.052 4.723 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.713 2.067 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.527 3.115 7.051 1.00 0.00 H new ATOM 0 HG SER A 48 -13.743 1.907 4.741 1.00 0.00 H new ATOM 658 N TYR A 49 -9.815 3.997 5.306 1.00 0.00 N ATOM 659 CA TYR A 49 -8.503 4.580 5.556 1.00 0.00 C ATOM 660 C TYR A 49 -8.110 5.407 4.332 1.00 0.00 C ATOM 661 O TYR A 49 -7.257 4.997 3.551 1.00 0.00 O ATOM 662 CB TYR A 49 -7.460 3.496 5.882 1.00 0.00 C ATOM 663 CG TYR A 49 -6.134 4.063 6.356 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.021 4.582 7.658 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.045 4.160 5.471 1.00 0.00 C ATOM 666 CE1 TYR A 49 -4.831 5.209 8.064 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.857 4.795 5.875 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.753 5.328 7.172 1.00 0.00 C ATOM 669 OH TYR A 49 -2.627 5.985 7.567 1.00 0.00 O ATOM 0 H TYR A 49 -9.791 3.014 5.036 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.543 5.228 6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.861 2.835 6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.290 2.886 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.849 4.499 8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.122 3.745 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.745 5.601 9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.026 4.873 5.190 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.838 5.462 7.314 1.00 0.00 H new ATOM 679 N GLY A 50 -8.750 6.562 4.143 1.00 0.00 N ATOM 680 CA GLY A 50 -8.460 7.425 3.013 1.00 0.00 C ATOM 681 C GLY A 50 -8.749 8.891 3.327 1.00 0.00 C ATOM 682 O GLY A 50 -8.750 9.291 4.489 1.00 0.00 O ATOM 0 H GLY A 50 -9.476 6.917 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.413 7.314 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.056 7.113 2.156 1.00 0.00 H new ATOM 686 N GLY A 51 -8.960 9.700 2.285 1.00 0.00 N ATOM 687 CA GLY A 51 -9.142 11.139 2.370 1.00 0.00 C ATOM 688 C GLY A 51 -8.772 11.754 1.018 1.00 0.00 C ATOM 689 O GLY A 51 -8.836 11.063 0.004 1.00 0.00 O ATOM 0 H GLY A 51 -9.009 9.351 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.175 11.376 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.516 11.554 3.160 1.00 0.00 H new ATOM 693 N GLU A 52 -8.348 13.024 1.009 1.00 0.00 N ATOM 694 CA GLU A 52 -8.014 13.763 -0.206 1.00 0.00 C ATOM 695 C GLU A 52 -6.832 13.134 -0.960 1.00 0.00 C ATOM 696 O GLU A 52 -7.041 12.421 -1.938 1.00 0.00 O ATOM 697 CB GLU A 52 -7.818 15.250 0.146 1.00 0.00 C ATOM 698 CG GLU A 52 -7.651 16.169 -1.077 1.00 0.00 C ATOM 699 CD GLU A 52 -6.256 16.112 -1.695 1.00 0.00 C ATOM 700 OE1 GLU A 52 -5.293 16.367 -0.940 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.178 15.794 -2.901 1.00 0.00 O ATOM 0 H GLU A 52 -8.227 13.572 1.861 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.842 13.701 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.674 15.590 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.939 15.349 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.386 15.892 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.868 17.196 -0.782 1.00 0.00 H new ATOM 708 N ARG A 53 -5.592 13.378 -0.513 1.00 0.00 N ATOM 709 CA ARG A 53 -4.387 12.877 -1.184 1.00 0.00 C ATOM 710 C ARG A 53 -4.467 11.366 -1.409 1.00 0.00 C ATOM 711 O ARG A 53 -4.030 10.831 -2.424 1.00 0.00 O ATOM 712 CB ARG A 53 -3.130 13.265 -0.382 1.00 0.00 C ATOM 713 CG ARG A 53 -2.910 12.436 0.896 1.00 0.00 C ATOM 714 CD ARG A 53 -1.758 13.020 1.720 1.00 0.00 C ATOM 715 NE ARG A 53 -1.330 12.097 2.783 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.416 12.398 3.719 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.059 13.644 3.819 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.031 11.453 4.551 1.00 0.00 N ATOM 0 H ARG A 53 -5.398 13.928 0.324 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.319 13.344 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.256 13.158 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.198 14.318 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.823 12.425 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.689 11.402 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.915 13.237 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.070 13.966 2.163 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.755 11.170 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.273 14.369 3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.753 13.869 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.322 10.499 4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.726 11.686 5.261 1.00 0.00 H new ATOM 732 N LYS A 54 -5.054 10.698 -0.419 1.00 0.00 N ATOM 733 CA LYS A 54 -5.264 9.271 -0.360 1.00 0.00 C ATOM 734 C LYS A 54 -6.082 8.752 -1.542 1.00 0.00 C ATOM 735 O LYS A 54 -5.991 7.571 -1.841 1.00 0.00 O ATOM 736 CB LYS A 54 -6.032 8.978 0.926 1.00 0.00 C ATOM 737 CG LYS A 54 -5.294 9.361 2.216 1.00 0.00 C ATOM 738 CD LYS A 54 -4.334 8.248 2.648 1.00 0.00 C ATOM 739 CE LYS A 54 -3.610 8.565 3.958 1.00 0.00 C ATOM 740 NZ LYS A 54 -4.530 8.577 5.110 1.00 0.00 N ATOM 0 H LYS A 54 -5.414 11.175 0.408 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.294 8.775 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.982 9.512 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.265 7.914 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.738 10.286 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.016 9.552 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.891 7.318 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.597 8.084 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.827 7.826 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.120 9.535 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.987 8.712 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.211 9.355 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.042 7.673 5.155 1.00 0.00 H new ATOM 754 N ALA A 55 -6.916 9.576 -2.180 1.00 0.00 N ATOM 755 CA ALA A 55 -7.787 9.151 -3.277 1.00 0.00 C ATOM 756 C ALA A 55 -7.075 8.297 -4.337 1.00 0.00 C ATOM 757 O ALA A 55 -7.529 7.199 -4.666 1.00 0.00 O ATOM 758 CB ALA A 55 -8.443 10.379 -3.913 1.00 0.00 C ATOM 0 H ALA A 55 -7.006 10.565 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.549 8.502 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.092 10.063 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.034 10.905 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.671 11.045 -4.299 1.00 0.00 H new ATOM 764 N MET A 56 -5.957 8.789 -4.877 1.00 0.00 N ATOM 765 CA MET A 56 -5.187 8.078 -5.890 1.00 0.00 C ATOM 766 C MET A 56 -4.772 6.710 -5.343 1.00 0.00 C ATOM 767 O MET A 56 -4.994 5.676 -5.972 1.00 0.00 O ATOM 768 CB MET A 56 -3.961 8.918 -6.273 1.00 0.00 C ATOM 769 CG MET A 56 -4.282 10.100 -7.201 1.00 0.00 C ATOM 770 SD MET A 56 -5.333 11.425 -6.541 1.00 0.00 S ATOM 771 CE MET A 56 -6.912 11.008 -7.315 1.00 0.00 C ATOM 0 H MET A 56 -5.563 9.694 -4.621 1.00 0.00 H new ATOM 0 HA MET A 56 -5.790 7.921 -6.784 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.495 9.298 -5.364 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.229 8.274 -6.761 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.338 10.545 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.763 9.704 -8.096 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.669 11.730 -7.010 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.803 11.033 -8.399 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.217 10.009 -7.003 1.00 0.00 H new ATOM 781 N MET A 57 -4.191 6.729 -4.143 1.00 0.00 N ATOM 782 CA MET A 57 -3.766 5.556 -3.397 1.00 0.00 C ATOM 783 C MET A 57 -4.917 4.551 -3.319 1.00 0.00 C ATOM 784 O MET A 57 -4.762 3.383 -3.669 1.00 0.00 O ATOM 785 CB MET A 57 -3.348 5.996 -1.980 1.00 0.00 C ATOM 786 CG MET A 57 -1.880 5.731 -1.675 1.00 0.00 C ATOM 787 SD MET A 57 -1.284 4.035 -1.867 1.00 0.00 S ATOM 788 CE MET A 57 -2.435 2.987 -0.951 1.00 0.00 C ATOM 0 H MET A 57 -3.998 7.600 -3.649 1.00 0.00 H new ATOM 0 HA MET A 57 -2.922 5.081 -3.896 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.550 7.061 -1.864 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.964 5.473 -1.248 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.281 6.374 -2.320 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.688 6.041 -0.648 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.565 2.042 -1.478 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.038 2.795 0.046 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.398 3.491 -0.867 1.00 0.00 H new ATOM 798 N THR A 58 -6.075 5.039 -2.866 1.00 0.00 N ATOM 799 CA THR A 58 -7.299 4.284 -2.687 1.00 0.00 C ATOM 800 C THR A 58 -7.609 3.549 -3.982 1.00 0.00 C ATOM 801 O THR A 58 -7.712 2.328 -3.972 1.00 0.00 O ATOM 802 CB THR A 58 -8.453 5.204 -2.241 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.087 5.943 -1.093 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.707 4.404 -1.892 1.00 0.00 C ATOM 0 H THR A 58 -6.180 6.019 -2.604 1.00 0.00 H new ATOM 0 HA THR A 58 -7.174 3.549 -1.892 1.00 0.00 H new ATOM 0 HB THR A 58 -8.661 5.870 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.454 6.647 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.499 5.086 -1.582 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.034 3.841 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.484 3.714 -1.079 1.00 0.00 H new ATOM 812 N ASN A 59 -7.721 4.272 -5.101 1.00 0.00 N ATOM 813 CA ASN A 59 -7.995 3.636 -6.385 1.00 0.00 C ATOM 814 C ASN A 59 -6.911 2.614 -6.726 1.00 0.00 C ATOM 815 O ASN A 59 -7.243 1.511 -7.161 1.00 0.00 O ATOM 816 CB ASN A 59 -8.115 4.688 -7.493 1.00 0.00 C ATOM 817 CG ASN A 59 -8.515 4.151 -8.876 1.00 0.00 C ATOM 818 OD1 ASN A 59 -8.739 4.948 -9.778 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.623 2.841 -9.115 1.00 0.00 N ATOM 0 H ASN A 59 -7.627 5.287 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.946 3.109 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.850 5.432 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.159 5.203 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.890 2.512 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.438 2.170 -8.370 1.00 0.00 H new ATOM 826 N ALA A 60 -5.635 2.970 -6.547 1.00 0.00 N ATOM 827 CA ALA A 60 -4.534 2.083 -6.893 1.00 0.00 C ATOM 828 C ALA A 60 -4.701 0.730 -6.202 1.00 0.00 C ATOM 829 O ALA A 60 -4.687 -0.310 -6.858 1.00 0.00 O ATOM 830 CB ALA A 60 -3.189 2.738 -6.558 1.00 0.00 C ATOM 0 H ALA A 60 -5.345 3.869 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.548 1.904 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.378 2.060 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.086 3.666 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.146 2.955 -5.491 1.00 0.00 H new ATOM 836 N VAL A 61 -4.890 0.743 -4.882 1.00 0.00 N ATOM 837 CA VAL A 61 -5.049 -0.491 -4.126 1.00 0.00 C ATOM 838 C VAL A 61 -6.429 -1.133 -4.336 1.00 0.00 C ATOM 839 O VAL A 61 -6.535 -2.353 -4.264 1.00 0.00 O ATOM 840 CB VAL A 61 -4.674 -0.258 -2.656 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.644 0.665 -1.925 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.578 -1.573 -1.880 1.00 0.00 C ATOM 0 H VAL A 61 -4.936 1.593 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.352 -1.235 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.698 0.227 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.321 0.787 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.662 1.637 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.644 0.231 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.311 -1.365 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.540 -2.085 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.815 -2.207 -2.332 1.00 0.00 H new ATOM 852 N LYS A 62 -7.480 -0.353 -4.629 1.00 0.00 N ATOM 853 CA LYS A 62 -8.832 -0.866 -4.874 1.00 0.00 C ATOM 854 C LYS A 62 -8.814 -2.011 -5.892 1.00 0.00 C ATOM 855 O LYS A 62 -9.582 -2.961 -5.779 1.00 0.00 O ATOM 856 CB LYS A 62 -9.745 0.256 -5.402 1.00 0.00 C ATOM 857 CG LYS A 62 -11.248 -0.054 -5.319 1.00 0.00 C ATOM 858 CD LYS A 62 -11.841 0.054 -3.904 1.00 0.00 C ATOM 859 CE LYS A 62 -11.589 1.431 -3.271 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.510 1.698 -2.154 1.00 0.00 N ATOM 0 H LYS A 62 -7.412 0.662 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.217 -1.240 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.543 1.167 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.486 0.460 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.784 0.629 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.420 -1.062 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.914 -0.133 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.407 -0.720 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.560 1.484 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.704 2.206 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.193 2.543 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.468 1.858 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.520 0.882 -1.509 1.00 0.00 H new ATOM 874 N LYS A 63 -7.951 -1.899 -6.906 1.00 0.00 N ATOM 875 CA LYS A 63 -7.840 -2.895 -7.961 1.00 0.00 C ATOM 876 C LYS A 63 -7.347 -4.268 -7.457 1.00 0.00 C ATOM 877 O LYS A 63 -7.529 -5.268 -8.148 1.00 0.00 O ATOM 878 CB LYS A 63 -6.956 -2.351 -9.098 1.00 0.00 C ATOM 879 CG LYS A 63 -7.783 -1.743 -10.242 1.00 0.00 C ATOM 880 CD LYS A 63 -8.738 -0.631 -9.784 1.00 0.00 C ATOM 881 CE LYS A 63 -9.505 -0.062 -10.984 1.00 0.00 C ATOM 882 NZ LYS A 63 -10.665 0.741 -10.556 1.00 0.00 N ATOM 0 H LYS A 63 -7.311 -1.112 -7.013 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.844 -3.077 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.281 -1.594 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.336 -3.157 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.106 -1.342 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.361 -2.533 -10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.440 -1.025 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.175 0.163 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.836 0.555 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.843 -0.879 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.529 0.365 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.756 0.695 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.529 1.730 -10.848 1.00 0.00 H new ATOM 896 N ALA A 64 -6.710 -4.331 -6.284 1.00 0.00 N ATOM 897 CA ALA A 64 -6.159 -5.549 -5.702 1.00 0.00 C ATOM 898 C ALA A 64 -7.196 -6.238 -4.806 1.00 0.00 C ATOM 899 O ALA A 64 -7.841 -5.591 -3.985 1.00 0.00 O ATOM 900 CB ALA A 64 -4.910 -5.153 -4.911 1.00 0.00 C ATOM 0 H ALA A 64 -6.561 -3.509 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.895 -6.265 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.469 -6.041 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.187 -4.689 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.184 -4.446 -4.128 1.00 0.00 H new ATOM 906 N SER A 65 -7.352 -7.559 -4.957 1.00 0.00 N ATOM 907 CA SER A 65 -8.293 -8.351 -4.161 1.00 0.00 C ATOM 908 C SER A 65 -7.642 -8.756 -2.836 1.00 0.00 C ATOM 909 O SER A 65 -6.428 -8.659 -2.699 1.00 0.00 O ATOM 910 CB SER A 65 -8.760 -9.575 -4.957 1.00 0.00 C ATOM 911 OG SER A 65 -9.731 -10.289 -4.214 1.00 0.00 O ATOM 0 H SER A 65 -6.827 -8.109 -5.637 1.00 0.00 H new ATOM 0 HA SER A 65 -9.173 -7.749 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.179 -9.260 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.911 -10.221 -5.179 1.00 0.00 H new ATOM 0 HG SER A 65 -10.027 -11.069 -4.728 1.00 0.00 H new ATOM 917 N ASP A 66 -8.421 -9.257 -1.872 1.00 0.00 N ATOM 918 CA ASP A 66 -7.942 -9.620 -0.534 1.00 0.00 C ATOM 919 C ASP A 66 -6.635 -10.426 -0.565 1.00 0.00 C ATOM 920 O ASP A 66 -5.728 -10.183 0.228 1.00 0.00 O ATOM 921 CB ASP A 66 -9.043 -10.361 0.232 1.00 0.00 C ATOM 922 CG ASP A 66 -8.627 -10.662 1.670 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.255 -9.700 2.378 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.688 -11.851 2.045 1.00 0.00 O ATOM 0 H ASP A 66 -9.419 -9.425 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.706 -8.695 -0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.952 -9.760 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.279 -11.293 -0.281 1.00 0.00 H new ATOM 929 N GLU A 67 -6.544 -11.389 -1.484 1.00 0.00 N ATOM 930 CA GLU A 67 -5.351 -12.192 -1.721 1.00 0.00 C ATOM 931 C GLU A 67 -4.121 -11.307 -1.912 1.00 0.00 C ATOM 932 O GLU A 67 -3.103 -11.423 -1.229 1.00 0.00 O ATOM 933 CB GLU A 67 -5.596 -13.025 -2.990 1.00 0.00 C ATOM 934 CG GLU A 67 -6.557 -14.196 -2.734 1.00 0.00 C ATOM 935 CD GLU A 67 -6.037 -15.156 -1.667 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.180 -15.992 -2.023 1.00 0.00 O ATOM 937 OE2 GLU A 67 -6.497 -15.024 -0.511 1.00 0.00 O ATOM 0 H GLU A 67 -7.320 -11.636 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.163 -12.835 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.006 -12.384 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.646 -13.410 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.527 -13.805 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.715 -14.742 -3.664 1.00 0.00 H new ATOM 944 N GLU A 68 -4.253 -10.416 -2.881 1.00 0.00 N ATOM 945 CA GLU A 68 -3.269 -9.485 -3.321 1.00 0.00 C ATOM 946 C GLU A 68 -2.944 -8.522 -2.183 1.00 0.00 C ATOM 947 O GLU A 68 -1.777 -8.260 -1.928 1.00 0.00 O ATOM 948 CB GLU A 68 -3.898 -8.820 -4.541 1.00 0.00 C ATOM 949 CG GLU A 68 -4.309 -9.800 -5.664 1.00 0.00 C ATOM 950 CD GLU A 68 -3.138 -10.402 -6.443 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.248 -10.997 -5.797 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.151 -10.249 -7.683 1.00 0.00 O ATOM 0 H GLU A 68 -5.121 -10.332 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.312 -9.929 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.779 -8.263 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.193 -8.095 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.892 -10.610 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.963 -9.278 -6.362 1.00 0.00 H new ATOM 959 N LEU A 69 -3.967 -8.016 -1.491 1.00 0.00 N ATOM 960 CA LEU A 69 -3.794 -7.158 -0.320 1.00 0.00 C ATOM 961 C LEU A 69 -2.895 -7.845 0.712 1.00 0.00 C ATOM 962 O LEU A 69 -1.913 -7.254 1.167 1.00 0.00 O ATOM 963 CB LEU A 69 -5.133 -6.777 0.336 1.00 0.00 C ATOM 964 CG LEU A 69 -6.146 -6.048 -0.563 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.302 -5.513 0.289 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.525 -4.912 -1.378 1.00 0.00 C ATOM 0 H LEU A 69 -4.943 -8.192 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.325 -6.238 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.601 -7.686 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.924 -6.145 1.199 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.513 -6.780 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.018 -4.997 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.798 -6.343 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.914 -4.818 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.294 -4.441 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.095 -4.173 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.743 -5.312 -2.023 1.00 0.00 H new ATOM 978 N LYS A 70 -3.218 -9.089 1.088 1.00 0.00 N ATOM 979 CA LYS A 70 -2.414 -9.820 2.055 1.00 0.00 C ATOM 980 C LYS A 70 -0.985 -9.958 1.547 1.00 0.00 C ATOM 981 O LYS A 70 -0.031 -9.699 2.277 1.00 0.00 O ATOM 982 CB LYS A 70 -3.005 -11.209 2.325 1.00 0.00 C ATOM 983 CG LYS A 70 -4.274 -11.131 3.176 1.00 0.00 C ATOM 984 CD LYS A 70 -4.769 -12.516 3.616 1.00 0.00 C ATOM 985 CE LYS A 70 -5.071 -13.457 2.443 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.108 -12.914 1.554 1.00 0.00 N ATOM 0 H LYS A 70 -4.027 -9.601 0.736 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.414 -9.259 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.232 -11.698 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.264 -11.827 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.080 -10.520 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.059 -10.631 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.016 -12.976 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.670 -12.397 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.158 -13.629 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.394 -14.424 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.306 -13.596 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.977 -12.741 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.776 -12.020 1.139 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.834 -10.369 0.290 1.00 0.00 N ATOM 1001 CA ALA A 71 0.481 -10.553 -0.291 1.00 0.00 C ATOM 1002 C ALA A 71 1.266 -9.242 -0.378 1.00 0.00 C ATOM 1003 O ALA A 71 2.477 -9.246 -0.171 1.00 0.00 O ATOM 1004 CB ALA A 71 0.329 -11.241 -1.644 1.00 0.00 C ATOM 0 H ALA A 71 -1.608 -10.579 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 71 1.075 -11.193 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.312 -11.385 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.153 -12.209 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.281 -10.621 -2.301 1.00 0.00 H new ATOM 1010 N LEU A 72 0.605 -8.118 -0.668 1.00 0.00 N ATOM 1011 CA LEU A 72 1.228 -6.818 -0.725 1.00 0.00 C ATOM 1012 C LEU A 72 1.762 -6.507 0.669 1.00 0.00 C ATOM 1013 O LEU A 72 2.938 -6.176 0.824 1.00 0.00 O ATOM 1014 CB LEU A 72 0.169 -5.802 -1.163 1.00 0.00 C ATOM 1015 CG LEU A 72 0.067 -5.616 -2.683 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.275 -4.962 -3.031 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.232 -4.759 -3.196 1.00 0.00 C ATOM 0 H LEU A 72 -0.394 -8.099 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 72 2.052 -6.782 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.802 -6.118 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.394 -4.839 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 72 0.123 -6.591 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.346 -4.830 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.090 -5.599 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.344 -3.990 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.146 -4.636 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.203 -3.781 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.176 -5.250 -2.961 1.00 0.00 H new ATOM 1029 N ALA A 73 0.893 -6.628 1.680 1.00 0.00 N ATOM 1030 CA ALA A 73 1.282 -6.427 3.065 1.00 0.00 C ATOM 1031 C ALA A 73 2.490 -7.296 3.418 1.00 0.00 C ATOM 1032 O ALA A 73 3.484 -6.791 3.938 1.00 0.00 O ATOM 1033 CB ALA A 73 0.088 -6.707 3.978 1.00 0.00 C ATOM 0 H ALA A 73 -0.091 -6.866 1.554 1.00 0.00 H new ATOM 0 HA ALA A 73 1.584 -5.390 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.381 -6.556 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.728 -6.028 3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.242 -7.737 3.840 1.00 0.00 H new ATOM 1039 N ASP A 74 2.422 -8.599 3.126 1.00 0.00 N ATOM 1040 CA ASP A 74 3.531 -9.509 3.374 1.00 0.00 C ATOM 1041 C ASP A 74 4.814 -8.985 2.723 1.00 0.00 C ATOM 1042 O ASP A 74 5.824 -8.833 3.403 1.00 0.00 O ATOM 1043 CB ASP A 74 3.192 -10.913 2.866 1.00 0.00 C ATOM 1044 CG ASP A 74 4.366 -11.863 3.083 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.514 -12.328 4.234 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.097 -12.097 2.097 1.00 0.00 O ATOM 0 H ASP A 74 1.601 -9.044 2.715 1.00 0.00 H new ATOM 0 HA ASP A 74 3.699 -9.567 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.311 -11.290 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.943 -10.871 1.806 1.00 0.00 H new ATOM 1051 N TYR A 75 4.765 -8.682 1.422 1.00 0.00 N ATOM 1052 CA TYR A 75 5.910 -8.189 0.666 1.00 0.00 C ATOM 1053 C TYR A 75 6.527 -6.960 1.341 1.00 0.00 C ATOM 1054 O TYR A 75 7.715 -6.934 1.658 1.00 0.00 O ATOM 1055 CB TYR A 75 5.482 -7.877 -0.776 1.00 0.00 C ATOM 1056 CG TYR A 75 6.641 -7.735 -1.743 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.416 -6.560 -1.756 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.997 -8.815 -2.573 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.561 -6.482 -2.567 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.125 -8.721 -3.407 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.910 -7.558 -3.399 1.00 0.00 C ATOM 1062 OH TYR A 75 10.004 -7.478 -4.206 1.00 0.00 O ATOM 0 H TYR A 75 3.917 -8.775 0.862 1.00 0.00 H new ATOM 0 HA TYR A 75 6.677 -8.963 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.822 -8.670 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.902 -6.954 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.131 -5.718 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.403 -9.717 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.174 -5.593 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.387 -9.545 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 75 10.098 -8.312 -4.713 1.00 0.00 H new ATOM 1072 N MET A 76 5.713 -5.928 1.566 1.00 0.00 N ATOM 1073 CA MET A 76 6.162 -4.697 2.209 1.00 0.00 C ATOM 1074 C MET A 76 6.609 -4.926 3.656 1.00 0.00 C ATOM 1075 O MET A 76 7.366 -4.119 4.189 1.00 0.00 O ATOM 1076 CB MET A 76 5.078 -3.628 2.067 1.00 0.00 C ATOM 1077 CG MET A 76 5.171 -2.976 0.685 1.00 0.00 C ATOM 1078 SD MET A 76 3.782 -1.900 0.254 1.00 0.00 S ATOM 1079 CE MET A 76 2.583 -3.148 -0.223 1.00 0.00 C ATOM 0 H MET A 76 4.726 -5.924 1.308 1.00 0.00 H new ATOM 0 HA MET A 76 7.056 -4.335 1.702 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.093 -4.075 2.203 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.195 -2.873 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.091 -2.394 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.250 -3.762 -0.067 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.830 -2.700 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.088 -3.953 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.102 -3.550 0.669 1.00 0.00 H new ATOM 1089 N SER A 77 6.166 -6.022 4.279 1.00 0.00 N ATOM 1090 CA SER A 77 6.614 -6.445 5.598 1.00 0.00 C ATOM 1091 C SER A 77 7.841 -7.361 5.507 1.00 0.00 C ATOM 1092 O SER A 77 8.209 -7.960 6.519 1.00 0.00 O ATOM 1093 CB SER A 77 5.478 -7.164 6.322 1.00 0.00 C ATOM 1094 OG SER A 77 5.803 -7.350 7.690 1.00 0.00 O ATOM 0 H SER A 77 5.473 -6.648 3.868 1.00 0.00 H new ATOM 0 HA SER A 77 6.902 -5.556 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.559 -6.585 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.292 -8.129 5.851 1.00 0.00 H new ATOM 0 HG SER A 77 6.720 -7.687 7.765 1.00 0.00 H new ATOM 1100 N LYS A 78 8.443 -7.507 4.323 1.00 0.00 N ATOM 1101 CA LYS A 78 9.643 -8.291 4.083 1.00 0.00 C ATOM 1102 C LYS A 78 10.623 -7.344 3.391 1.00 0.00 C ATOM 1103 O LYS A 78 11.355 -7.720 2.477 1.00 0.00 O ATOM 1104 CB LYS A 78 9.269 -9.506 3.219 1.00 0.00 C ATOM 1105 CG LYS A 78 10.301 -10.643 3.280 1.00 0.00 C ATOM 1106 CD LYS A 78 9.908 -11.754 4.268 1.00 0.00 C ATOM 1107 CE LYS A 78 9.806 -11.296 5.728 1.00 0.00 C ATOM 1108 NZ LYS A 78 11.102 -10.828 6.250 1.00 0.00 N ATOM 0 H LYS A 78 8.088 -7.062 3.477 1.00 0.00 H new ATOM 0 HA LYS A 78 10.100 -8.685 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.301 -9.887 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.155 -9.184 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.420 -11.073 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.269 -10.233 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.949 -12.172 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.641 -12.558 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.072 -10.494 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.444 -12.120 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.370 -11.400 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.828 -10.924 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.023 -9.830 6.531 1.00 0.00 H new ATOM 1122 N LEU A 79 10.590 -6.094 3.845 1.00 0.00 N ATOM 1123 CA LEU A 79 11.283 -4.939 3.369 1.00 0.00 C ATOM 1124 C LEU A 79 11.451 -4.082 4.621 1.00 0.00 C ATOM 1125 O LEU A 79 10.611 -4.274 5.533 1.00 0.00 O ATOM 1126 CB LEU A 79 10.333 -4.260 2.373 1.00 0.00 C ATOM 1127 CG LEU A 79 10.643 -4.547 0.894 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.661 -3.772 0.009 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.075 -4.145 0.528 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.403 -3.276 4.654 1.00 0.00 O ATOM 0 H LEU A 79 10.005 -5.859 4.647 1.00 0.00 H new ATOM 0 HA LEU A 79 12.240 -5.127 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.314 -4.582 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.367 -3.183 2.535 1.00 0.00 H new ATOM 0 HG LEU A 79 10.539 -5.620 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.879 -3.974 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.642 -4.086 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.763 -2.704 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.256 -4.363 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.210 -3.078 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.779 -4.707 1.141 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 1.017 3.680 -1.572 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.317 4.625 1.717 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.055 0.541 -0.566 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.998 2.744 -4.804 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.381 6.979 -2.472 1.00 10.53 C HETATM 1148 NA HEC A 80 0.805 2.753 0.205 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.037 3.291 1.459 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.834 2.300 2.481 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.344 1.202 1.860 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.381 1.458 0.433 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.151 -0.055 2.499 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.041 2.538 3.953 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.176 3.185 4.626 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.171 4.078 5.814 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.267 4.630 5.840 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.674 4.232 6.690 1.00 17.21 O HETATM 1159 NB HEC A 80 0.616 1.976 -2.502 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.194 0.782 -1.938 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.054 -0.186 -2.985 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.294 0.397 -4.168 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.658 1.768 -3.866 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.567 -1.581 -2.749 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.332 -0.229 -5.547 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.982 -0.868 -6.017 1.00 6.48 C HETATM 1167 NC HEC A 80 1.276 4.652 -3.281 1.00 3.58 N HETATM 1168 C1C HEC A 80 1.254 4.086 -4.536 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.557 5.081 -5.538 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.760 6.258 -4.882 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.479 6.010 -3.477 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.670 4.784 -7.012 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.225 7.575 -5.465 1.00 3.39 C HETATM 1174 CBC HEC A 80 1.129 8.317 -6.235 1.00 10.94 C HETATM 1175 ND HEC A 80 1.137 5.440 -0.577 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.179 6.706 -1.119 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.852 7.682 -0.094 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.749 7.007 1.087 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.116 5.636 0.791 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.545 9.132 -0.373 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.193 7.542 2.400 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.508 6.834 3.732 1.00 6.36 C HETATM 1183 CGD HEC A 80 -0.131 7.568 4.903 1.00 6.46 C HETATM 1184 O1D HEC A 80 -0.988 6.987 5.564 1.00 8.25 O HETATM 1185 O2D HEC A 80 0.245 8.713 5.141 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.403 9.599 -0.857 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.323 9.201 -1.028 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.333 9.646 0.565 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 2.462 4.053 -7.176 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.724 4.382 -7.376 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.905 5.702 -7.551 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.132 -2.123 -2.112 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.540 -1.533 -2.261 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.665 -2.099 -3.703 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.653 -0.510 3.078 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.987 0.177 3.158 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.480 -0.751 1.727 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.142 5.808 3.698 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.587 6.783 3.875 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.781 7.697 -7.061 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.295 8.531 -5.566 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.529 9.252 -6.626 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.268 -1.661 -5.327 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.766 -0.111 -6.044 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.847 -1.286 -7.014 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.715 3.776 3.886 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.853 2.399 4.961 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.533 8.573 2.496 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.892 7.572 2.301 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.260 1.589 4.443 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.912 3.178 4.094 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.469 8.024 -2.768 1.00 10.53 H new HETATM 0 HHC HEC A 80 1.070 2.426 -5.844 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.334 -0.429 -0.258 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.715 4.891 2.696 1.00 5.52 H new