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 153:sc= 0.65 USER MOD Set 1.2: A 57 MET CE :methyl 158:sc= -2.09 (180deg=-4.66) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -152:sc= 0.862 (180deg=-0.0356) USER MOD Set 2.2: A 49 TYR OH : rot -173:sc= 1.4 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -162:sc= 0.04 (180deg=-0.0138) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.0205 K(o=0.02,f=-0.51) USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.194 (180deg=0) USER MOD Single : A 7 TYR OH : rot -155:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 77:sc= 1.19 USER MOD Single : A 19 SER OG : rot 180:sc= 0.094 USER MOD Single : A 20 LYS NZ :NH3+ -144:sc= -0.775 (180deg=-2.34!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 11:sc= 0.582 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0.618 (180deg=0.306) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 41 MET CE :methyl -143:sc= -2.2 (180deg=-2.69) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -83:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.764 (180deg=0.666) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -75:sc= 0.05 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.103 F(o=-0.65!,f=-0.1) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0689) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.147 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0.635 (180deg=0.534) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -160:sc= -1.9 (180deg=-3.52!) USER MOD Single : A 77 SER OG : rot 56:sc= 0.912 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.253 (180deg=-0.907) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.764 -12.217 -8.784 1.00 0.00 N ATOM 2 CA ALA A 1 4.117 -12.996 -7.712 1.00 0.00 C ATOM 3 C ALA A 1 3.040 -12.139 -7.057 1.00 0.00 C ATOM 4 O ALA A 1 3.039 -10.929 -7.283 1.00 0.00 O ATOM 5 CB ALA A 1 5.144 -13.454 -6.672 1.00 0.00 C ATOM 0 H1 ALA A 1 4.457 -12.578 -9.710 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.495 -11.216 -8.697 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.797 -12.306 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 1 3.663 -13.889 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.642 -14.026 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.896 -14.079 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.626 -12.583 -6.229 1.00 0.00 H new ATOM 13 N ASP A 2 2.144 -12.751 -6.282 1.00 0.00 N ATOM 14 CA ASP A 2 1.088 -12.049 -5.565 1.00 0.00 C ATOM 15 C ASP A 2 1.691 -10.961 -4.674 1.00 0.00 C ATOM 16 O ASP A 2 2.803 -11.119 -4.171 1.00 0.00 O ATOM 17 CB ASP A 2 0.252 -13.045 -4.749 1.00 0.00 C ATOM 18 CG ASP A 2 1.105 -13.874 -3.790 1.00 0.00 C ATOM 19 OD1 ASP A 2 1.907 -14.682 -4.312 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.939 -13.692 -2.566 1.00 0.00 O ATOM 0 H ASP A 2 2.134 -13.760 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 2 0.425 -11.565 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.504 -12.502 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.278 -13.712 -5.428 1.00 0.00 H new ATOM 25 N GLY A 3 0.983 -9.841 -4.516 1.00 0.00 N ATOM 26 CA GLY A 3 1.426 -8.684 -3.755 1.00 0.00 C ATOM 27 C GLY A 3 2.466 -7.900 -4.553 1.00 0.00 C ATOM 28 O GLY A 3 2.232 -6.773 -4.992 1.00 0.00 O ATOM 0 H GLY A 3 0.059 -9.716 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.575 -8.043 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.852 -9.005 -2.804 1.00 0.00 H new ATOM 32 N ALA A 4 3.609 -8.545 -4.780 1.00 0.00 N ATOM 33 CA ALA A 4 4.755 -8.001 -5.492 1.00 0.00 C ATOM 34 C ALA A 4 4.345 -7.411 -6.841 1.00 0.00 C ATOM 35 O ALA A 4 4.723 -6.288 -7.169 1.00 0.00 O ATOM 36 CB ALA A 4 5.815 -9.091 -5.666 1.00 0.00 C ATOM 0 H ALA A 4 3.764 -9.500 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 4 5.177 -7.187 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.673 -8.682 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.133 -9.449 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.395 -9.920 -6.236 1.00 0.00 H new ATOM 42 N ALA A 5 3.562 -8.172 -7.613 1.00 0.00 N ATOM 43 CA ALA A 5 3.064 -7.755 -8.918 1.00 0.00 C ATOM 44 C ALA A 5 2.402 -6.378 -8.846 1.00 0.00 C ATOM 45 O ALA A 5 2.623 -5.543 -9.718 1.00 0.00 O ATOM 46 CB ALA A 5 2.076 -8.794 -9.453 1.00 0.00 C ATOM 0 H ALA A 5 3.255 -9.106 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 5 3.911 -7.681 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.707 -8.477 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.578 -9.757 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.238 -8.889 -8.762 1.00 0.00 H new ATOM 52 N LEU A 6 1.596 -6.144 -7.808 1.00 0.00 N ATOM 53 CA LEU A 6 0.927 -4.868 -7.626 1.00 0.00 C ATOM 54 C LEU A 6 1.954 -3.827 -7.188 1.00 0.00 C ATOM 55 O LEU A 6 1.969 -2.708 -7.706 1.00 0.00 O ATOM 56 CB LEU A 6 -0.205 -4.987 -6.596 1.00 0.00 C ATOM 57 CG LEU A 6 -1.230 -6.080 -6.945 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.017 -7.344 -6.106 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.653 -5.598 -6.659 1.00 0.00 C ATOM 0 H LEU A 6 1.394 -6.830 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 6 0.478 -4.557 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.224 -5.200 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.718 -4.029 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.092 -6.301 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.760 -8.093 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.018 -7.739 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.121 -7.101 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.362 -6.386 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.748 -5.351 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.865 -4.713 -7.259 1.00 0.00 H new ATOM 71 N TYR A 7 2.816 -4.207 -6.236 1.00 0.00 N ATOM 72 CA TYR A 7 3.832 -3.325 -5.682 1.00 0.00 C ATOM 73 C TYR A 7 4.675 -2.645 -6.762 1.00 0.00 C ATOM 74 O TYR A 7 4.974 -1.460 -6.626 1.00 0.00 O ATOM 75 CB TYR A 7 4.726 -4.047 -4.669 1.00 0.00 C ATOM 76 CG TYR A 7 5.602 -3.075 -3.899 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.015 -2.227 -2.941 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.936 -2.859 -4.293 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.760 -1.179 -2.374 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.689 -1.832 -3.699 1.00 0.00 C ATOM 81 CZ TYR A 7 7.097 -0.982 -2.751 1.00 0.00 C ATOM 82 OH TYR A 7 7.798 0.054 -2.214 1.00 0.00 O ATOM 0 H TYR A 7 2.822 -5.143 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 7 3.291 -2.540 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.105 -4.608 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.355 -4.770 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.989 -2.382 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.382 -3.484 -5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.303 -0.524 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.725 -1.696 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 7 8.527 0.305 -2.819 1.00 0.00 H new ATOM 92 N LYS A 8 5.058 -3.380 -7.816 1.00 0.00 N ATOM 93 CA LYS A 8 5.884 -2.851 -8.904 1.00 0.00 C ATOM 94 C LYS A 8 5.496 -1.419 -9.293 1.00 0.00 C ATOM 95 O LYS A 8 6.342 -0.533 -9.331 1.00 0.00 O ATOM 96 CB LYS A 8 5.838 -3.757 -10.145 1.00 0.00 C ATOM 97 CG LYS A 8 6.197 -5.230 -9.905 1.00 0.00 C ATOM 98 CD LYS A 8 7.452 -5.467 -9.053 1.00 0.00 C ATOM 99 CE LYS A 8 8.714 -4.898 -9.713 1.00 0.00 C ATOM 100 NZ LYS A 8 9.908 -5.155 -8.890 1.00 0.00 N ATOM 0 H LYS A 8 4.802 -4.360 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 8 6.904 -2.831 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.835 -3.711 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.520 -3.353 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.351 -5.719 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.336 -5.715 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.317 -5.007 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.581 -6.537 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.845 -5.345 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.597 -3.825 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.746 -4.759 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.791 -4.707 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.031 -6.180 -8.768 1.00 0.00 H new ATOM 114 N SER A 9 4.213 -1.184 -9.561 1.00 0.00 N ATOM 115 CA SER A 9 3.685 0.118 -9.940 1.00 0.00 C ATOM 116 C SER A 9 3.987 1.194 -8.886 1.00 0.00 C ATOM 117 O SER A 9 4.416 2.306 -9.194 1.00 0.00 O ATOM 118 CB SER A 9 2.164 -0.021 -10.142 1.00 0.00 C ATOM 119 OG SER A 9 1.754 -1.382 -10.129 1.00 0.00 O ATOM 0 H SER A 9 3.499 -1.911 -9.519 1.00 0.00 H new ATOM 0 HA SER A 9 4.169 0.440 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.641 0.524 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.880 0.436 -11.090 1.00 0.00 H new ATOM 0 HG SER A 9 1.736 -1.710 -9.206 1.00 0.00 H new ATOM 125 N CYS A 10 3.748 0.836 -7.625 1.00 0.00 N ATOM 126 CA CYS A 10 3.839 1.687 -6.448 1.00 0.00 C ATOM 127 C CYS A 10 5.243 2.251 -6.285 1.00 0.00 C ATOM 128 O CYS A 10 5.411 3.353 -5.758 1.00 0.00 O ATOM 129 CB CYS A 10 3.409 0.910 -5.207 1.00 0.00 C ATOM 130 SG CYS A 10 2.006 -0.198 -5.471 1.00 0.00 S ATOM 0 H CYS A 10 3.469 -0.116 -7.388 1.00 0.00 H new ATOM 0 HA CYS A 10 3.163 2.532 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.256 0.325 -4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.154 1.619 -4.419 1.00 0.00 H new ATOM 135 N ILE A 11 6.248 1.500 -6.758 1.00 0.00 N ATOM 136 CA ILE A 11 7.646 1.903 -6.717 1.00 0.00 C ATOM 137 C ILE A 11 7.804 3.341 -7.217 1.00 0.00 C ATOM 138 O ILE A 11 8.629 4.075 -6.678 1.00 0.00 O ATOM 139 CB ILE A 11 8.539 0.929 -7.514 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.528 -0.450 -6.830 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.983 1.441 -7.642 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.307 -1.527 -7.592 1.00 0.00 C ATOM 0 H ILE A 11 6.102 0.585 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 11 7.978 1.866 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 11 8.133 0.850 -8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.948 -0.352 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.495 -0.778 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.575 0.723 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.984 2.401 -8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.416 1.562 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.253 -2.469 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.874 -1.656 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.349 -1.223 -7.688 1.00 0.00 H new ATOM 154 N GLY A 12 7.005 3.750 -8.211 1.00 0.00 N ATOM 155 CA GLY A 12 7.033 5.099 -8.758 1.00 0.00 C ATOM 156 C GLY A 12 7.016 6.190 -7.680 1.00 0.00 C ATOM 157 O GLY A 12 7.633 7.235 -7.868 1.00 0.00 O ATOM 0 H GLY A 12 6.317 3.143 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.927 5.217 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.175 5.235 -9.416 1.00 0.00 H new ATOM 161 N CYS A 13 6.308 5.957 -6.567 1.00 0.00 N ATOM 162 CA CYS A 13 6.197 6.909 -5.460 1.00 0.00 C ATOM 163 C CYS A 13 6.895 6.396 -4.198 1.00 0.00 C ATOM 164 O CYS A 13 7.439 7.178 -3.419 1.00 0.00 O ATOM 165 CB CYS A 13 4.717 7.164 -5.175 1.00 0.00 C ATOM 166 SG CYS A 13 4.383 8.552 -4.070 1.00 0.00 S ATOM 0 H CYS A 13 5.791 5.092 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 13 6.691 7.836 -5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.205 7.340 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.285 6.262 -4.742 1.00 0.00 H new ATOM 171 N HIS A 14 6.875 5.075 -3.991 1.00 0.00 N ATOM 172 CA HIS A 14 7.407 4.437 -2.795 1.00 0.00 C ATOM 173 C HIS A 14 8.896 4.094 -2.839 1.00 0.00 C ATOM 174 O HIS A 14 9.544 4.051 -1.793 1.00 0.00 O ATOM 175 CB HIS A 14 6.587 3.180 -2.500 1.00 0.00 C ATOM 176 CG HIS A 14 5.288 3.511 -1.829 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.226 3.721 -0.466 1.00 0.00 N ATOM 178 CD2 HIS A 14 4.015 3.737 -2.292 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.956 4.026 -0.171 1.00 0.00 C ATOM 180 NE2 HIS A 14 3.155 4.019 -1.231 1.00 0.00 N ATOM 0 H HIS A 14 6.482 4.415 -4.662 1.00 0.00 H new ATOM 0 HA HIS A 14 7.319 5.175 -1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.391 2.647 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.165 2.509 -1.864 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.002 3.656 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.721 3.701 -3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.617 4.255 0.828 1.00 0.00 H new ATOM 188 N GLY A 15 9.451 3.833 -4.020 1.00 0.00 N ATOM 189 CA GLY A 15 10.823 3.368 -4.135 1.00 0.00 C ATOM 190 C GLY A 15 10.874 1.853 -3.926 1.00 0.00 C ATOM 191 O GLY A 15 9.955 1.255 -3.364 1.00 0.00 O ATOM 0 H GLY A 15 8.966 3.937 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.222 3.623 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.450 3.868 -3.396 1.00 0.00 H new ATOM 195 N ALA A 16 11.949 1.219 -4.405 1.00 0.00 N ATOM 196 CA ALA A 16 12.118 -0.228 -4.341 1.00 0.00 C ATOM 197 C ALA A 16 11.891 -0.750 -2.922 1.00 0.00 C ATOM 198 O ALA A 16 10.991 -1.550 -2.686 1.00 0.00 O ATOM 199 CB ALA A 16 13.506 -0.610 -4.864 1.00 0.00 C ATOM 0 H ALA A 16 12.729 1.703 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 16 11.367 -0.698 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.628 -1.692 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.609 -0.280 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.270 -0.130 -4.252 1.00 0.00 H new ATOM 205 N ASP A 17 12.680 -0.255 -1.968 1.00 0.00 N ATOM 206 CA ASP A 17 12.620 -0.649 -0.566 1.00 0.00 C ATOM 207 C ASP A 17 11.656 0.221 0.242 1.00 0.00 C ATOM 208 O ASP A 17 11.909 0.516 1.403 1.00 0.00 O ATOM 209 CB ASP A 17 14.027 -0.607 0.034 1.00 0.00 C ATOM 210 CG ASP A 17 14.640 0.794 0.040 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.626 1.424 -1.041 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.129 1.208 1.113 1.00 0.00 O ATOM 0 H ASP A 17 13.395 0.448 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 17 12.232 -1.666 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.990 -0.984 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.675 -1.277 -0.530 1.00 0.00 H new ATOM 217 N GLY A 18 10.567 0.668 -0.378 1.00 0.00 N ATOM 218 CA GLY A 18 9.524 1.468 0.255 1.00 0.00 C ATOM 219 C GLY A 18 10.050 2.635 1.098 1.00 0.00 C ATOM 220 O GLY A 18 9.428 2.999 2.101 1.00 0.00 O ATOM 0 H GLY A 18 10.381 0.478 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.864 1.862 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.920 0.820 0.890 1.00 0.00 H new ATOM 224 N SER A 19 11.178 3.222 0.684 1.00 0.00 N ATOM 225 CA SER A 19 11.870 4.309 1.355 1.00 0.00 C ATOM 226 C SER A 19 11.046 5.593 1.297 1.00 0.00 C ATOM 227 O SER A 19 10.936 6.296 2.296 1.00 0.00 O ATOM 228 CB SER A 19 13.227 4.477 0.665 1.00 0.00 C ATOM 229 OG SER A 19 13.064 4.375 -0.742 1.00 0.00 O ATOM 0 H SER A 19 11.650 2.931 -0.172 1.00 0.00 H new ATOM 0 HA SER A 19 12.015 4.084 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.659 5.444 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.922 3.714 1.017 1.00 0.00 H new ATOM 0 HG SER A 19 13.933 4.484 -1.181 1.00 0.00 H new ATOM 235 N LYS A 20 10.482 5.850 0.112 1.00 0.00 N ATOM 236 CA LYS A 20 9.581 6.925 -0.267 1.00 0.00 C ATOM 237 C LYS A 20 9.966 8.357 0.135 1.00 0.00 C ATOM 238 O LYS A 20 10.996 8.646 0.735 1.00 0.00 O ATOM 239 CB LYS A 20 8.175 6.576 0.259 1.00 0.00 C ATOM 240 CG LYS A 20 8.084 6.714 1.783 1.00 0.00 C ATOM 241 CD LYS A 20 6.688 7.108 2.270 1.00 0.00 C ATOM 242 CE LYS A 20 5.651 6.079 1.835 1.00 0.00 C ATOM 243 NZ LYS A 20 4.374 6.288 2.529 1.00 0.00 N ATOM 0 H LYS A 20 10.671 5.241 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 20 9.633 6.968 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.440 7.230 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.923 5.555 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.369 5.769 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.803 7.462 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.688 7.194 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.423 8.088 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.498 6.146 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.021 5.075 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.932 5.368 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.543 6.792 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.741 6.853 1.928 1.00 0.00 H new ATOM 257 N ALA A 21 9.034 9.236 -0.229 1.00 0.00 N ATOM 258 CA ALA A 21 8.858 10.644 0.107 1.00 0.00 C ATOM 259 C ALA A 21 7.475 11.010 -0.451 1.00 0.00 C ATOM 260 O ALA A 21 7.246 12.085 -1.004 1.00 0.00 O ATOM 261 CB ALA A 21 9.980 11.499 -0.491 1.00 0.00 C ATOM 0 H ALA A 21 8.285 8.933 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 21 8.910 10.828 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.823 12.544 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.941 11.165 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.976 11.397 -1.576 1.00 0.00 H new ATOM 267 N ALA A 22 6.555 10.044 -0.337 1.00 0.00 N ATOM 268 CA ALA A 22 5.221 10.118 -0.884 1.00 0.00 C ATOM 269 C ALA A 22 4.479 11.278 -0.238 1.00 0.00 C ATOM 270 O ALA A 22 4.531 11.434 0.981 1.00 0.00 O ATOM 271 CB ALA A 22 4.518 8.779 -0.692 1.00 0.00 C ATOM 0 H ALA A 22 6.737 9.169 0.155 1.00 0.00 H new ATOM 0 HA ALA A 22 5.250 10.311 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.511 8.834 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.078 7.997 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.462 8.547 0.371 1.00 0.00 H new ATOM 277 N MET A 23 3.819 12.090 -1.071 1.00 0.00 N ATOM 278 CA MET A 23 3.199 13.343 -0.656 1.00 0.00 C ATOM 279 C MET A 23 4.155 14.128 0.259 1.00 0.00 C ATOM 280 O MET A 23 3.772 14.617 1.320 1.00 0.00 O ATOM 281 CB MET A 23 1.815 13.104 -0.034 1.00 0.00 C ATOM 282 CG MET A 23 0.840 12.478 -1.040 1.00 0.00 C ATOM 283 SD MET A 23 -0.881 12.413 -0.476 1.00 0.00 S ATOM 284 CE MET A 23 -1.635 11.542 -1.867 1.00 0.00 C ATOM 0 H MET A 23 3.702 11.889 -2.064 1.00 0.00 H new ATOM 0 HA MET A 23 3.020 13.963 -1.535 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.914 12.450 0.832 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.409 14.050 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.883 13.045 -1.970 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.173 11.465 -1.268 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.702 11.417 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.490 12.120 -2.780 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.169 10.563 -1.979 1.00 0.00 H new ATOM 294 N GLY A 24 5.426 14.229 -0.146 1.00 0.00 N ATOM 295 CA GLY A 24 6.447 14.932 0.611 1.00 0.00 C ATOM 296 C GLY A 24 6.996 14.045 1.724 1.00 0.00 C ATOM 297 O GLY A 24 8.200 13.796 1.785 1.00 0.00 O ATOM 0 H GLY A 24 5.769 13.820 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.257 15.234 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.028 15.843 1.038 1.00 0.00 H new ATOM 301 N SER A 25 6.135 13.583 2.632 1.00 0.00 N ATOM 302 CA SER A 25 6.519 12.722 3.742 1.00 0.00 C ATOM 303 C SER A 25 5.304 11.926 4.209 1.00 0.00 C ATOM 304 O SER A 25 4.213 12.478 4.327 1.00 0.00 O ATOM 305 CB SER A 25 7.087 13.563 4.892 1.00 0.00 C ATOM 306 OG SER A 25 8.342 14.115 4.542 1.00 0.00 O ATOM 0 H SER A 25 5.139 13.802 2.613 1.00 0.00 H new ATOM 0 HA SER A 25 7.293 12.029 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.390 14.363 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.193 12.944 5.783 1.00 0.00 H new ATOM 0 HG SER A 25 8.498 13.991 3.582 1.00 0.00 H new ATOM 312 N ALA A 26 5.508 10.638 4.493 1.00 0.00 N ATOM 313 CA ALA A 26 4.470 9.706 4.920 1.00 0.00 C ATOM 314 C ALA A 26 5.146 8.513 5.607 1.00 0.00 C ATOM 315 O ALA A 26 6.366 8.395 5.493 1.00 0.00 O ATOM 316 CB ALA A 26 3.697 9.302 3.666 1.00 0.00 C ATOM 0 H ALA A 26 6.429 10.205 4.429 1.00 0.00 H new ATOM 0 HA ALA A 26 3.774 10.141 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.906 8.602 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.257 10.188 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.376 8.827 2.957 1.00 0.00 H new ATOM 322 N LYS A 27 4.405 7.647 6.321 1.00 0.00 N ATOM 323 CA LYS A 27 4.907 6.460 6.979 1.00 0.00 C ATOM 324 C LYS A 27 5.675 5.639 5.951 1.00 0.00 C ATOM 325 O LYS A 27 5.039 5.107 5.040 1.00 0.00 O ATOM 326 CB LYS A 27 3.694 5.643 7.444 1.00 0.00 C ATOM 327 CG LYS A 27 3.116 5.993 8.815 1.00 0.00 C ATOM 328 CD LYS A 27 4.048 5.689 10.002 1.00 0.00 C ATOM 329 CE LYS A 27 4.560 4.240 10.054 1.00 0.00 C ATOM 330 NZ LYS A 27 3.465 3.252 10.027 1.00 0.00 N ATOM 0 H LYS A 27 3.401 7.773 6.452 1.00 0.00 H new ATOM 0 HA LYS A 27 5.551 6.715 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.903 5.756 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.976 4.590 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.866 7.054 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.184 5.444 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.904 6.362 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.518 5.908 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.226 4.063 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.150 4.099 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.818 2.334 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.692 3.574 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.113 3.151 9.054 1.00 0.00 H new ATOM 344 N PRO A 28 7.008 5.525 6.044 1.00 0.00 N ATOM 345 CA PRO A 28 7.743 4.763 5.064 1.00 0.00 C ATOM 346 C PRO A 28 7.262 3.325 5.056 1.00 0.00 C ATOM 347 O PRO A 28 7.004 2.743 6.107 1.00 0.00 O ATOM 348 CB PRO A 28 9.224 4.889 5.432 1.00 0.00 C ATOM 349 CG PRO A 28 9.267 6.170 6.267 1.00 0.00 C ATOM 350 CD PRO A 28 7.918 6.154 6.987 1.00 0.00 C ATOM 0 HA PRO A 28 7.587 5.137 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.573 4.026 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.854 4.964 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.100 6.166 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.381 7.056 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.973 5.593 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.592 7.163 7.241 1.00 0.00 H new ATOM 358 N VAL A 29 7.096 2.763 3.863 1.00 0.00 N ATOM 359 CA VAL A 29 6.633 1.397 3.737 1.00 0.00 C ATOM 360 C VAL A 29 7.734 0.462 4.232 1.00 0.00 C ATOM 361 O VAL A 29 7.414 -0.547 4.856 1.00 0.00 O ATOM 362 CB VAL A 29 6.155 1.154 2.303 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.921 -0.325 2.025 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.807 1.860 2.119 1.00 0.00 C ATOM 0 H VAL A 29 7.276 3.235 2.977 1.00 0.00 H new ATOM 0 HA VAL A 29 5.765 1.192 4.363 1.00 0.00 H new ATOM 0 HB VAL A 29 6.923 1.529 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.583 -0.453 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.851 -0.874 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.162 -0.708 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.448 1.699 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.084 1.455 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.929 2.929 2.296 1.00 0.00 H new ATOM 374 N LYS A 30 8.997 0.844 3.981 1.00 0.00 N ATOM 375 CA LYS A 30 10.216 0.174 4.418 1.00 0.00 C ATOM 376 C LYS A 30 10.006 -0.535 5.760 1.00 0.00 C ATOM 377 O LYS A 30 10.026 0.102 6.813 1.00 0.00 O ATOM 378 CB LYS A 30 11.334 1.227 4.550 1.00 0.00 C ATOM 379 CG LYS A 30 12.680 0.650 5.026 1.00 0.00 C ATOM 380 CD LYS A 30 13.381 -0.145 3.919 1.00 0.00 C ATOM 381 CE LYS A 30 14.455 -1.088 4.464 1.00 0.00 C ATOM 382 NZ LYS A 30 13.841 -2.318 4.996 1.00 0.00 N ATOM 0 H LYS A 30 9.198 1.681 3.434 1.00 0.00 H new ATOM 0 HA LYS A 30 10.491 -0.582 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.479 1.712 3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.013 1.999 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.328 1.462 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.514 0.004 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.640 -0.724 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.836 0.548 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.161 -1.340 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.021 -0.588 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.517 -2.800 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.984 -2.074 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.589 -2.949 4.208 1.00 0.00 H new ATOM 396 N GLY A 31 9.808 -1.849 5.719 1.00 0.00 N ATOM 397 CA GLY A 31 9.617 -2.706 6.870 1.00 0.00 C ATOM 398 C GLY A 31 8.602 -2.224 7.911 1.00 0.00 C ATOM 399 O GLY A 31 8.740 -2.608 9.073 1.00 0.00 O ATOM 0 H GLY A 31 9.776 -2.363 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.305 -3.689 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.580 -2.835 7.364 1.00 0.00 H new ATOM 403 N GLN A 32 7.587 -1.414 7.561 1.00 0.00 N ATOM 404 CA GLN A 32 6.545 -1.115 8.542 1.00 0.00 C ATOM 405 C GLN A 32 5.745 -2.423 8.694 1.00 0.00 C ATOM 406 O GLN A 32 5.858 -3.332 7.867 1.00 0.00 O ATOM 407 CB GLN A 32 5.792 0.215 8.294 1.00 0.00 C ATOM 408 CG GLN A 32 4.541 0.071 7.443 1.00 0.00 C ATOM 409 CD GLN A 32 3.736 1.350 7.176 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.596 1.451 7.618 1.00 0.00 O ATOM 411 NE2 GLN A 32 4.270 2.329 6.454 1.00 0.00 N ATOM 0 H GLN A 32 7.472 -0.975 6.648 1.00 0.00 H new ATOM 0 HA GLN A 32 6.938 -0.854 9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.516 0.649 9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.469 0.918 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.831 -0.355 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.882 -0.651 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.219 2.236 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.731 3.174 6.263 1.00 0.00 H new ATOM 420 N GLY A 33 4.979 -2.580 9.767 1.00 0.00 N ATOM 421 CA GLY A 33 4.400 -3.886 10.074 1.00 0.00 C ATOM 422 C GLY A 33 3.350 -4.342 9.080 1.00 0.00 C ATOM 423 O GLY A 33 2.522 -3.557 8.641 1.00 0.00 O ATOM 0 H GLY A 33 4.747 -1.838 10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.199 -4.627 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.954 -3.850 11.068 1.00 0.00 H new ATOM 427 N ALA A 34 3.351 -5.634 8.766 1.00 0.00 N ATOM 428 CA ALA A 34 2.350 -6.270 7.929 1.00 0.00 C ATOM 429 C ALA A 34 0.952 -5.965 8.459 1.00 0.00 C ATOM 430 O ALA A 34 0.024 -5.774 7.684 1.00 0.00 O ATOM 431 CB ALA A 34 2.606 -7.771 7.935 1.00 0.00 C ATOM 0 H ALA A 34 4.068 -6.280 9.097 1.00 0.00 H new ATOM 0 HA ALA A 34 2.414 -5.888 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.864 -8.269 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.603 -7.972 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.535 -8.148 8.955 1.00 0.00 H new ATOM 437 N GLU A 35 0.815 -5.917 9.785 1.00 0.00 N ATOM 438 CA GLU A 35 -0.414 -5.578 10.473 1.00 0.00 C ATOM 439 C GLU A 35 -0.875 -4.194 10.016 1.00 0.00 C ATOM 440 O GLU A 35 -1.974 -4.041 9.485 1.00 0.00 O ATOM 441 CB GLU A 35 -0.158 -5.584 11.988 1.00 0.00 C ATOM 442 CG GLU A 35 0.067 -6.992 12.571 1.00 0.00 C ATOM 443 CD GLU A 35 1.395 -7.638 12.172 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.341 -6.877 11.866 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.438 -8.886 12.169 1.00 0.00 O ATOM 0 H GLU A 35 1.585 -6.121 10.422 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.192 -6.306 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.715 -4.967 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.006 -5.122 12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.018 -6.934 13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.749 -7.639 12.249 1.00 0.00 H new ATOM 452 N GLU A 36 -0.015 -3.192 10.228 1.00 0.00 N ATOM 453 CA GLU A 36 -0.225 -1.822 9.867 1.00 0.00 C ATOM 454 C GLU A 36 -0.582 -1.749 8.386 1.00 0.00 C ATOM 455 O GLU A 36 -1.653 -1.278 8.021 1.00 0.00 O ATOM 456 CB GLU A 36 1.097 -1.102 10.155 1.00 0.00 C ATOM 457 CG GLU A 36 1.502 -1.055 11.630 1.00 0.00 C ATOM 458 CD GLU A 36 2.736 -0.173 11.801 1.00 0.00 C ATOM 459 OE1 GLU A 36 3.826 -0.640 11.401 1.00 0.00 O ATOM 460 OE2 GLU A 36 2.566 0.964 12.291 1.00 0.00 O ATOM 0 H GLU A 36 0.887 -3.343 10.680 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.040 -1.361 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.891 -1.593 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.026 -0.081 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.680 -0.665 12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.711 -2.062 11.991 1.00 0.00 H new ATOM 467 N LEU A 37 0.320 -2.252 7.546 1.00 0.00 N ATOM 468 CA LEU A 37 0.178 -2.249 6.104 1.00 0.00 C ATOM 469 C LEU A 37 -1.167 -2.825 5.684 1.00 0.00 C ATOM 470 O LEU A 37 -1.898 -2.187 4.935 1.00 0.00 O ATOM 471 CB LEU A 37 1.323 -3.054 5.473 1.00 0.00 C ATOM 472 CG LEU A 37 2.689 -2.365 5.585 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.830 -3.371 5.458 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.831 -1.341 4.466 1.00 0.00 C ATOM 0 H LEU A 37 1.189 -2.682 7.864 1.00 0.00 H new ATOM 0 HA LEU A 37 0.223 -1.218 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.377 -4.031 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.098 -3.228 4.421 1.00 0.00 H new ATOM 0 HG LEU A 37 2.744 -1.886 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.784 -2.851 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.750 -4.114 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.771 -3.868 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.801 -0.850 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.754 -1.843 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.039 -0.596 4.552 1.00 0.00 H new ATOM 486 N TYR A 38 -1.498 -4.028 6.154 1.00 0.00 N ATOM 487 CA TYR A 38 -2.747 -4.673 5.807 1.00 0.00 C ATOM 488 C TYR A 38 -3.924 -3.807 6.216 1.00 0.00 C ATOM 489 O TYR A 38 -4.784 -3.514 5.396 1.00 0.00 O ATOM 490 CB TYR A 38 -2.851 -6.079 6.406 1.00 0.00 C ATOM 491 CG TYR A 38 -4.148 -6.772 6.032 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.447 -7.005 4.675 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.120 -7.038 7.014 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.698 -7.527 4.308 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.374 -7.556 6.644 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.663 -7.798 5.290 1.00 0.00 C ATOM 497 OH TYR A 38 -7.875 -8.301 4.924 1.00 0.00 O ATOM 0 H TYR A 38 -0.906 -4.573 6.781 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.770 -4.791 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.009 -6.680 6.063 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.776 -6.015 7.492 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.712 -6.782 3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.903 -6.844 8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.918 -7.720 3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.115 -7.768 7.400 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.428 -8.434 5.722 1.00 0.00 H new ATOM 507 N LYS A 39 -3.961 -3.386 7.476 1.00 0.00 N ATOM 508 CA LYS A 39 -5.061 -2.590 7.983 1.00 0.00 C ATOM 509 C LYS A 39 -5.259 -1.323 7.164 1.00 0.00 C ATOM 510 O LYS A 39 -6.368 -1.018 6.739 1.00 0.00 O ATOM 511 CB LYS A 39 -4.764 -2.244 9.443 1.00 0.00 C ATOM 512 CG LYS A 39 -6.013 -1.800 10.207 1.00 0.00 C ATOM 513 CD LYS A 39 -5.621 -1.595 11.673 1.00 0.00 C ATOM 514 CE LYS A 39 -6.780 -1.035 12.507 1.00 0.00 C ATOM 515 NZ LYS A 39 -7.929 -1.957 12.545 1.00 0.00 N ATOM 0 H LYS A 39 -3.235 -3.587 8.164 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.986 -3.163 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.330 -3.113 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.018 -1.450 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.410 -0.876 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.798 -2.551 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.296 -2.545 12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.772 -0.913 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.436 -0.843 13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.096 -0.078 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.656 -1.580 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.328 -2.055 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.616 -2.888 12.886 1.00 0.00 H new ATOM 529 N LYS A 40 -4.181 -0.576 6.955 1.00 0.00 N ATOM 530 CA LYS A 40 -4.204 0.662 6.223 1.00 0.00 C ATOM 531 C LYS A 40 -4.605 0.435 4.759 1.00 0.00 C ATOM 532 O LYS A 40 -5.455 1.154 4.231 1.00 0.00 O ATOM 533 CB LYS A 40 -2.808 1.258 6.359 1.00 0.00 C ATOM 534 CG LYS A 40 -2.432 1.704 7.784 1.00 0.00 C ATOM 535 CD LYS A 40 -3.336 2.817 8.320 1.00 0.00 C ATOM 536 CE LYS A 40 -2.687 3.549 9.501 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.580 4.422 9.067 1.00 0.00 N ATOM 0 H LYS A 40 -3.255 -0.828 7.300 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.951 1.350 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.079 0.522 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.728 2.116 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.486 0.846 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.398 2.049 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.550 3.529 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.290 2.393 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.440 4.146 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.313 2.819 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.890 4.518 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.114 4.004 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.954 5.360 8.819 1.00 0.00 H new ATOM 551 N MET A 41 -4.017 -0.571 4.101 1.00 0.00 N ATOM 552 CA MET A 41 -4.313 -0.861 2.706 1.00 0.00 C ATOM 553 C MET A 41 -5.777 -1.300 2.551 1.00 0.00 C ATOM 554 O MET A 41 -6.481 -0.839 1.649 1.00 0.00 O ATOM 555 CB MET A 41 -3.235 -1.783 2.091 1.00 0.00 C ATOM 556 CG MET A 41 -3.386 -3.312 2.173 1.00 0.00 C ATOM 557 SD MET A 41 -4.483 -3.896 0.883 1.00 0.00 S ATOM 558 CE MET A 41 -3.327 -3.811 -0.503 1.00 0.00 C ATOM 0 H MET A 41 -3.330 -1.197 4.521 1.00 0.00 H new ATOM 0 HA MET A 41 -4.244 0.041 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.151 -1.523 1.036 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.285 -1.526 2.559 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.410 -3.787 2.073 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.779 -3.594 3.150 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.857 -3.488 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.535 -3.098 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.891 -4.795 -0.674 1.00 0.00 H new ATOM 568 N LYS A 42 -6.260 -2.136 3.478 1.00 0.00 N ATOM 569 CA LYS A 42 -7.665 -2.527 3.535 1.00 0.00 C ATOM 570 C LYS A 42 -8.492 -1.257 3.768 1.00 0.00 C ATOM 571 O LYS A 42 -9.531 -1.066 3.143 1.00 0.00 O ATOM 572 CB LYS A 42 -7.887 -3.565 4.654 1.00 0.00 C ATOM 573 CG LYS A 42 -9.008 -4.575 4.374 1.00 0.00 C ATOM 574 CD LYS A 42 -10.391 -3.938 4.190 1.00 0.00 C ATOM 575 CE LYS A 42 -11.468 -5.029 4.174 1.00 0.00 C ATOM 576 NZ LYS A 42 -12.812 -4.464 3.961 1.00 0.00 N ATOM 0 H LYS A 42 -5.685 -2.558 4.207 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.976 -2.998 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.957 -4.110 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.114 -3.038 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.758 -5.140 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.054 -5.288 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.587 -3.233 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.420 -3.372 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.246 -5.748 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.448 -5.574 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.514 -5.231 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.033 -3.797 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.838 -3.965 3.049 1.00 0.00 H new ATOM 590 N GLY A 43 -8.007 -0.381 4.654 1.00 0.00 N ATOM 591 CA GLY A 43 -8.585 0.905 4.995 1.00 0.00 C ATOM 592 C GLY A 43 -8.898 1.695 3.736 1.00 0.00 C ATOM 593 O GLY A 43 -10.027 2.143 3.548 1.00 0.00 O ATOM 0 H GLY A 43 -7.152 -0.570 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.495 0.759 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.893 1.467 5.622 1.00 0.00 H new ATOM 597 N TYR A 44 -7.899 1.859 2.869 1.00 0.00 N ATOM 598 CA TYR A 44 -8.064 2.544 1.604 1.00 0.00 C ATOM 599 C TYR A 44 -9.074 1.800 0.724 1.00 0.00 C ATOM 600 O TYR A 44 -10.052 2.395 0.272 1.00 0.00 O ATOM 601 CB TYR A 44 -6.711 2.598 0.895 1.00 0.00 C ATOM 602 CG TYR A 44 -5.652 3.532 1.444 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.949 4.858 1.821 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.305 3.142 1.341 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.919 5.706 2.270 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.298 3.960 1.866 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.628 5.185 2.452 1.00 0.00 C ATOM 608 OH TYR A 44 -2.657 5.907 3.075 1.00 0.00 O ATOM 0 H TYR A 44 -6.952 1.516 3.032 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.436 3.553 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.296 1.590 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.891 2.872 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.964 5.222 1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.048 2.212 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.120 6.748 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.266 3.645 1.818 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.012 5.297 3.491 1.00 0.00 H new ATOM 618 N ALA A 45 -8.827 0.510 0.462 1.00 0.00 N ATOM 619 CA ALA A 45 -9.685 -0.305 -0.396 1.00 0.00 C ATOM 620 C ALA A 45 -11.163 -0.167 -0.016 1.00 0.00 C ATOM 621 O ALA A 45 -12.005 0.103 -0.868 1.00 0.00 O ATOM 622 CB ALA A 45 -9.232 -1.768 -0.345 1.00 0.00 C ATOM 0 H ALA A 45 -8.026 0.005 0.841 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.588 0.057 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.875 -2.371 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.201 -1.842 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.297 -2.133 0.680 1.00 0.00 H new ATOM 628 N ASP A 46 -11.467 -0.338 1.270 1.00 0.00 N ATOM 629 CA ASP A 46 -12.809 -0.228 1.820 1.00 0.00 C ATOM 630 C ASP A 46 -13.301 1.219 1.763 1.00 0.00 C ATOM 631 O ASP A 46 -14.357 1.499 1.199 1.00 0.00 O ATOM 632 CB ASP A 46 -12.783 -0.735 3.266 1.00 0.00 C ATOM 633 CG ASP A 46 -14.125 -0.532 3.960 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.989 -1.418 3.793 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.250 0.502 4.653 1.00 0.00 O ATOM 0 H ASP A 46 -10.764 -0.563 1.974 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.499 -0.831 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.525 -1.794 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.004 -0.212 3.821 1.00 0.00 H new ATOM 640 N GLY A 47 -12.521 2.126 2.353 1.00 0.00 N ATOM 641 CA GLY A 47 -12.805 3.550 2.458 1.00 0.00 C ATOM 642 C GLY A 47 -12.900 4.000 3.912 1.00 0.00 C ATOM 643 O GLY A 47 -13.621 4.943 4.228 1.00 0.00 O ATOM 0 H GLY A 47 -11.635 1.872 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.022 4.116 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.741 3.773 1.946 1.00 0.00 H new ATOM 647 N SER A 48 -12.156 3.334 4.796 1.00 0.00 N ATOM 648 CA SER A 48 -12.063 3.621 6.215 1.00 0.00 C ATOM 649 C SER A 48 -10.762 4.370 6.530 1.00 0.00 C ATOM 650 O SER A 48 -10.535 4.713 7.689 1.00 0.00 O ATOM 651 CB SER A 48 -12.141 2.298 6.995 1.00 0.00 C ATOM 652 OG SER A 48 -12.053 1.176 6.133 1.00 0.00 O ATOM 0 H SER A 48 -11.576 2.542 4.521 1.00 0.00 H new ATOM 0 HA SER A 48 -12.891 4.264 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.334 2.259 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.078 2.258 7.551 1.00 0.00 H new ATOM 0 HG SER A 48 -12.937 0.984 5.755 1.00 0.00 H new ATOM 658 N TYR A 49 -9.894 4.604 5.536 1.00 0.00 N ATOM 659 CA TYR A 49 -8.630 5.301 5.731 1.00 0.00 C ATOM 660 C TYR A 49 -8.303 6.175 4.516 1.00 0.00 C ATOM 661 O TYR A 49 -8.858 5.975 3.437 1.00 0.00 O ATOM 662 CB TYR A 49 -7.525 4.280 6.039 1.00 0.00 C ATOM 663 CG TYR A 49 -6.223 4.905 6.499 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.177 5.567 7.740 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.086 4.898 5.670 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.010 6.239 8.138 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.921 5.581 6.068 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.884 6.255 7.299 1.00 0.00 C ATOM 669 OH TYR A 49 -2.735 6.835 7.745 1.00 0.00 O ATOM 0 H TYR A 49 -10.056 4.311 4.573 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.707 5.974 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.880 3.596 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.335 3.684 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.041 5.558 8.388 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.107 4.369 4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.978 6.745 9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.054 5.586 5.425 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.078 6.862 7.018 1.00 0.00 H new ATOM 679 N GLY A 50 -7.397 7.137 4.716 1.00 0.00 N ATOM 680 CA GLY A 50 -6.985 8.126 3.732 1.00 0.00 C ATOM 681 C GLY A 50 -7.886 9.346 3.862 1.00 0.00 C ATOM 682 O GLY A 50 -9.059 9.291 3.503 1.00 0.00 O ATOM 0 H GLY A 50 -6.914 7.247 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.944 8.406 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.054 7.711 2.727 1.00 0.00 H new ATOM 686 N GLY A 51 -7.330 10.453 4.361 1.00 0.00 N ATOM 687 CA GLY A 51 -8.046 11.709 4.578 1.00 0.00 C ATOM 688 C GLY A 51 -8.882 12.098 3.359 1.00 0.00 C ATOM 689 O GLY A 51 -10.065 12.404 3.476 1.00 0.00 O ATOM 0 H GLY A 51 -6.347 10.500 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.694 11.613 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.332 12.502 4.798 1.00 0.00 H new ATOM 693 N GLU A 52 -8.245 12.067 2.188 1.00 0.00 N ATOM 694 CA GLU A 52 -8.857 12.296 0.887 1.00 0.00 C ATOM 695 C GLU A 52 -8.797 10.990 0.080 1.00 0.00 C ATOM 696 O GLU A 52 -8.554 11.002 -1.124 1.00 0.00 O ATOM 697 CB GLU A 52 -8.186 13.494 0.182 1.00 0.00 C ATOM 698 CG GLU A 52 -6.675 13.651 0.429 1.00 0.00 C ATOM 699 CD GLU A 52 -5.888 12.362 0.222 1.00 0.00 C ATOM 700 OE1 GLU A 52 -5.539 12.071 -0.941 1.00 0.00 O ATOM 701 OE2 GLU A 52 -5.667 11.679 1.248 1.00 0.00 O ATOM 0 H GLU A 52 -7.246 11.873 2.122 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.907 12.568 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.353 13.401 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.685 14.408 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.283 14.418 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.516 14.005 1.448 1.00 0.00 H new ATOM 708 N ARG A 53 -8.942 9.846 0.761 1.00 0.00 N ATOM 709 CA ARG A 53 -8.961 8.485 0.244 1.00 0.00 C ATOM 710 C ARG A 53 -7.602 7.979 -0.255 1.00 0.00 C ATOM 711 O ARG A 53 -7.298 6.793 -0.155 1.00 0.00 O ATOM 712 CB ARG A 53 -10.029 8.373 -0.848 1.00 0.00 C ATOM 713 CG ARG A 53 -10.365 6.908 -1.100 1.00 0.00 C ATOM 714 CD ARG A 53 -11.492 6.395 -0.205 1.00 0.00 C ATOM 715 NE ARG A 53 -11.635 4.942 -0.380 1.00 0.00 N ATOM 716 CZ ARG A 53 -12.739 4.247 -0.686 1.00 0.00 C ATOM 717 NH1 ARG A 53 -13.918 4.842 -0.893 1.00 0.00 N ATOM 718 NH2 ARG A 53 -12.639 2.919 -0.751 1.00 0.00 N ATOM 0 H ARG A 53 -9.059 9.858 1.774 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.209 7.833 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.926 8.914 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.671 8.836 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.650 6.780 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.474 6.302 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.276 6.627 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.427 6.896 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.785 4.393 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.997 5.856 -0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.738 4.282 -1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.743 2.466 -0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.458 2.357 -0.981 1.00 0.00 H new ATOM 732 N LYS A 54 -6.792 8.879 -0.801 1.00 0.00 N ATOM 733 CA LYS A 54 -5.522 8.577 -1.455 1.00 0.00 C ATOM 734 C LYS A 54 -5.790 7.901 -2.800 1.00 0.00 C ATOM 735 O LYS A 54 -5.099 6.984 -3.228 1.00 0.00 O ATOM 736 CB LYS A 54 -4.513 7.965 -0.493 1.00 0.00 C ATOM 737 CG LYS A 54 -4.249 9.046 0.566 1.00 0.00 C ATOM 738 CD LYS A 54 -2.987 8.784 1.385 1.00 0.00 C ATOM 739 CE LYS A 54 -2.919 9.663 2.639 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.957 11.099 2.311 1.00 0.00 N ATOM 0 H LYS A 54 -7.009 9.876 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.980 9.480 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.906 7.056 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.594 7.690 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.162 10.015 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.105 9.106 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.957 7.734 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.109 8.968 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.753 9.420 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.004 9.441 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.756 11.656 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.242 11.308 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.900 11.348 1.949 1.00 0.00 H new ATOM 754 N ALA A 55 -6.788 8.475 -3.477 1.00 0.00 N ATOM 755 CA ALA A 55 -7.395 8.095 -4.751 1.00 0.00 C ATOM 756 C ALA A 55 -6.597 7.133 -5.640 1.00 0.00 C ATOM 757 O ALA A 55 -7.053 6.023 -5.899 1.00 0.00 O ATOM 758 CB ALA A 55 -7.785 9.361 -5.520 1.00 0.00 C ATOM 0 H ALA A 55 -7.239 9.310 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.271 7.504 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.238 9.084 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.499 9.938 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.895 9.963 -5.704 1.00 0.00 H new ATOM 764 N MET A 56 -5.441 7.556 -6.160 1.00 0.00 N ATOM 765 CA MET A 56 -4.636 6.718 -7.048 1.00 0.00 C ATOM 766 C MET A 56 -4.270 5.404 -6.352 1.00 0.00 C ATOM 767 O MET A 56 -4.471 4.309 -6.882 1.00 0.00 O ATOM 768 CB MET A 56 -3.375 7.480 -7.477 1.00 0.00 C ATOM 769 CG MET A 56 -3.707 8.698 -8.348 1.00 0.00 C ATOM 770 SD MET A 56 -2.255 9.625 -8.906 1.00 0.00 S ATOM 771 CE MET A 56 -3.068 10.911 -9.877 1.00 0.00 C ATOM 0 H MET A 56 -5.042 8.477 -5.979 1.00 0.00 H new ATOM 0 HA MET A 56 -5.217 6.477 -7.938 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.830 7.806 -6.591 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.716 6.809 -8.028 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.270 8.365 -9.220 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.358 9.367 -7.785 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.316 11.578 -10.299 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.639 10.451 -10.684 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.740 11.481 -9.236 1.00 0.00 H new ATOM 781 N MET A 57 -3.743 5.530 -5.136 1.00 0.00 N ATOM 782 CA MET A 57 -3.375 4.407 -4.304 1.00 0.00 C ATOM 783 C MET A 57 -4.639 3.604 -3.990 1.00 0.00 C ATOM 784 O MET A 57 -4.608 2.376 -4.073 1.00 0.00 O ATOM 785 CB MET A 57 -2.630 4.936 -3.074 1.00 0.00 C ATOM 786 CG MET A 57 -2.304 3.834 -2.069 1.00 0.00 C ATOM 787 SD MET A 57 -1.150 4.358 -0.780 1.00 0.00 S ATOM 788 CE MET A 57 -1.825 5.931 -0.240 1.00 0.00 C ATOM 0 H MET A 57 -3.560 6.435 -4.702 1.00 0.00 H new ATOM 0 HA MET A 57 -2.691 3.720 -4.801 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.706 5.418 -3.393 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.236 5.700 -2.587 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.228 3.493 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.881 2.981 -2.600 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.466 6.156 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.506 6.718 -0.924 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.914 5.876 -0.232 1.00 0.00 H new ATOM 798 N THR A 58 -5.755 4.280 -3.679 1.00 0.00 N ATOM 799 CA THR A 58 -7.025 3.612 -3.441 1.00 0.00 C ATOM 800 C THR A 58 -7.362 2.697 -4.616 1.00 0.00 C ATOM 801 O THR A 58 -7.654 1.524 -4.420 1.00 0.00 O ATOM 802 CB THR A 58 -8.164 4.619 -3.258 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.712 5.782 -2.604 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.312 3.975 -2.483 1.00 0.00 C ATOM 0 H THR A 58 -5.794 5.295 -3.588 1.00 0.00 H new ATOM 0 HA THR A 58 -6.922 3.030 -2.525 1.00 0.00 H new ATOM 0 HB THR A 58 -8.526 4.912 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.586 5.593 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.117 4.699 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.683 3.111 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.956 3.655 -1.504 1.00 0.00 H new ATOM 812 N ASN A 59 -7.327 3.236 -5.837 1.00 0.00 N ATOM 813 CA ASN A 59 -7.633 2.485 -7.044 1.00 0.00 C ATOM 814 C ASN A 59 -6.705 1.282 -7.146 1.00 0.00 C ATOM 815 O ASN A 59 -7.161 0.191 -7.490 1.00 0.00 O ATOM 816 CB ASN A 59 -7.498 3.387 -8.278 1.00 0.00 C ATOM 817 CG ASN A 59 -8.120 2.813 -9.557 1.00 0.00 C ATOM 818 OD1 ASN A 59 -8.085 1.502 -9.795 1.00 0.00 O flip ATOM 819 ND2 ASN A 59 -8.650 3.568 -10.364 1.00 0.00 N flip ATOM 0 H ASN A 59 -7.084 4.211 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.662 2.129 -6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.964 4.348 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.440 3.579 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.677 4.571 -10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.064 3.193 -11.217 1.00 0.00 H new ATOM 826 N ALA A 60 -5.410 1.478 -6.880 1.00 0.00 N ATOM 827 CA ALA A 60 -4.450 0.390 -6.968 1.00 0.00 C ATOM 828 C ALA A 60 -4.852 -0.751 -6.032 1.00 0.00 C ATOM 829 O ALA A 60 -5.025 -1.885 -6.475 1.00 0.00 O ATOM 830 CB ALA A 60 -3.036 0.897 -6.677 1.00 0.00 C ATOM 0 H ALA A 60 -5.011 2.375 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.451 -0.003 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.331 0.069 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.768 1.664 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.000 1.319 -5.673 1.00 0.00 H new ATOM 836 N VAL A 61 -5.032 -0.455 -4.742 1.00 0.00 N ATOM 837 CA VAL A 61 -5.390 -1.493 -3.783 1.00 0.00 C ATOM 838 C VAL A 61 -6.786 -2.064 -4.058 1.00 0.00 C ATOM 839 O VAL A 61 -6.995 -3.263 -3.916 1.00 0.00 O ATOM 840 CB VAL A 61 -5.220 -1.012 -2.332 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.773 -0.571 -2.082 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.163 0.129 -1.952 1.00 0.00 C ATOM 0 H VAL A 61 -4.937 0.480 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.689 -2.317 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.476 -1.865 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.669 -0.233 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.101 -1.411 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.519 0.245 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.987 0.417 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.979 0.984 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.196 -0.199 -2.067 1.00 0.00 H new ATOM 852 N LYS A 62 -7.744 -1.237 -4.480 1.00 0.00 N ATOM 853 CA LYS A 62 -9.109 -1.672 -4.747 1.00 0.00 C ATOM 854 C LYS A 62 -9.149 -2.738 -5.847 1.00 0.00 C ATOM 855 O LYS A 62 -10.031 -3.593 -5.840 1.00 0.00 O ATOM 856 CB LYS A 62 -9.976 -0.446 -5.066 1.00 0.00 C ATOM 857 CG LYS A 62 -11.472 -0.778 -5.157 1.00 0.00 C ATOM 858 CD LYS A 62 -12.325 0.495 -5.267 1.00 0.00 C ATOM 859 CE LYS A 62 -12.479 1.208 -3.915 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.253 2.454 -4.044 1.00 0.00 N ATOM 0 H LYS A 62 -7.590 -0.242 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.522 -2.152 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.823 0.311 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.648 -0.011 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.653 -1.414 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.774 -1.345 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.868 1.176 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.311 0.238 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.974 0.543 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.493 1.432 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.009 3.097 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.028 2.910 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.269 2.237 -4.008 1.00 0.00 H new ATOM 874 N LYS A 63 -8.206 -2.699 -6.794 1.00 0.00 N ATOM 875 CA LYS A 63 -8.106 -3.686 -7.852 1.00 0.00 C ATOM 876 C LYS A 63 -7.461 -4.994 -7.360 1.00 0.00 C ATOM 877 O LYS A 63 -7.455 -5.985 -8.088 1.00 0.00 O ATOM 878 CB LYS A 63 -7.339 -3.047 -9.017 1.00 0.00 C ATOM 879 CG LYS A 63 -8.270 -2.640 -10.168 1.00 0.00 C ATOM 880 CD LYS A 63 -9.369 -1.671 -9.706 1.00 0.00 C ATOM 881 CE LYS A 63 -10.110 -1.078 -10.909 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.089 -0.062 -10.484 1.00 0.00 N ATOM 0 H LYS A 63 -7.490 -1.974 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.101 -3.975 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.802 -2.169 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.592 -3.749 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.684 -2.173 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.729 -3.532 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.074 -2.194 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.928 -0.870 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.393 -0.630 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.620 -1.873 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.575 0.322 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.786 -0.497 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.597 0.707 -9.986 1.00 0.00 H new ATOM 896 N ALA A 64 -6.915 -5.014 -6.141 1.00 0.00 N ATOM 897 CA ALA A 64 -6.288 -6.176 -5.537 1.00 0.00 C ATOM 898 C ALA A 64 -7.377 -7.031 -4.885 1.00 0.00 C ATOM 899 O ALA A 64 -8.203 -6.516 -4.134 1.00 0.00 O ATOM 900 CB ALA A 64 -5.291 -5.673 -4.488 1.00 0.00 C ATOM 0 H ALA A 64 -6.901 -4.194 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.764 -6.782 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.801 -6.524 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.542 -5.045 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.820 -5.092 -3.733 1.00 0.00 H new ATOM 906 N SER A 65 -7.398 -8.334 -5.168 1.00 0.00 N ATOM 907 CA SER A 65 -8.343 -9.242 -4.529 1.00 0.00 C ATOM 908 C SER A 65 -7.870 -9.485 -3.091 1.00 0.00 C ATOM 909 O SER A 65 -6.747 -9.124 -2.755 1.00 0.00 O ATOM 910 CB SER A 65 -8.432 -10.532 -5.349 1.00 0.00 C ATOM 911 OG SER A 65 -7.132 -10.974 -5.684 1.00 0.00 O ATOM 0 H SER A 65 -6.770 -8.781 -5.836 1.00 0.00 H new ATOM 0 HA SER A 65 -9.347 -8.819 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.953 -11.302 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.013 -10.359 -6.255 1.00 0.00 H new ATOM 0 HG SER A 65 -7.192 -11.800 -6.207 1.00 0.00 H new ATOM 917 N ASP A 66 -8.695 -10.101 -2.237 1.00 0.00 N ATOM 918 CA ASP A 66 -8.355 -10.345 -0.833 1.00 0.00 C ATOM 919 C ASP A 66 -6.931 -10.888 -0.649 1.00 0.00 C ATOM 920 O ASP A 66 -6.166 -10.371 0.165 1.00 0.00 O ATOM 921 CB ASP A 66 -9.411 -11.232 -0.156 1.00 0.00 C ATOM 922 CG ASP A 66 -9.382 -12.686 -0.621 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.321 -12.888 -1.854 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.422 -13.565 0.266 1.00 0.00 O ATOM 0 H ASP A 66 -9.618 -10.444 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.365 -9.378 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.260 -11.202 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.400 -10.817 -0.351 1.00 0.00 H new ATOM 929 N GLU A 67 -6.555 -11.905 -1.427 1.00 0.00 N ATOM 930 CA GLU A 67 -5.247 -12.495 -1.396 1.00 0.00 C ATOM 931 C GLU A 67 -4.170 -11.451 -1.678 1.00 0.00 C ATOM 932 O GLU A 67 -3.185 -11.357 -0.952 1.00 0.00 O ATOM 933 CB GLU A 67 -5.265 -13.633 -2.414 1.00 0.00 C ATOM 934 CG GLU A 67 -6.244 -14.763 -2.050 1.00 0.00 C ATOM 935 CD GLU A 67 -5.999 -15.324 -0.650 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.146 -16.232 -0.546 1.00 0.00 O ATOM 937 OE2 GLU A 67 -6.653 -14.825 0.292 1.00 0.00 O ATOM 0 H GLU A 67 -7.178 -12.340 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.001 -12.890 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.532 -13.232 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.261 -14.047 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.266 -14.388 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.153 -15.567 -2.781 1.00 0.00 H new ATOM 944 N GLU A 68 -4.369 -10.651 -2.721 1.00 0.00 N ATOM 945 CA GLU A 68 -3.463 -9.586 -3.084 1.00 0.00 C ATOM 946 C GLU A 68 -3.412 -8.517 -1.989 1.00 0.00 C ATOM 947 O GLU A 68 -2.330 -8.017 -1.701 1.00 0.00 O ATOM 948 CB GLU A 68 -3.891 -9.009 -4.433 1.00 0.00 C ATOM 949 CG GLU A 68 -3.961 -10.039 -5.564 1.00 0.00 C ATOM 950 CD GLU A 68 -2.661 -10.804 -5.827 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.586 -10.282 -5.461 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.765 -11.914 -6.391 1.00 0.00 O ATOM 0 H GLU A 68 -5.176 -10.732 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.451 -9.978 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.869 -8.542 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.192 -8.222 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.747 -10.758 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.256 -9.529 -6.481 1.00 0.00 H new ATOM 959 N LEU A 69 -4.550 -8.159 -1.374 1.00 0.00 N ATOM 960 CA LEU A 69 -4.576 -7.178 -0.291 1.00 0.00 C ATOM 961 C LEU A 69 -3.593 -7.628 0.799 1.00 0.00 C ATOM 962 O LEU A 69 -2.688 -6.889 1.192 1.00 0.00 O ATOM 963 CB LEU A 69 -5.988 -6.981 0.312 1.00 0.00 C ATOM 964 CG LEU A 69 -7.085 -6.370 -0.587 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.411 -6.332 0.185 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.827 -4.924 -1.023 1.00 0.00 C ATOM 0 H LEU A 69 -5.466 -8.539 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.283 -6.213 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.342 -7.953 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.889 -6.348 1.194 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.101 -7.004 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.188 -5.901 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.695 -7.345 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.293 -5.723 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.650 -4.581 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.752 -4.286 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.896 -4.875 -1.587 1.00 0.00 H new ATOM 978 N LYS A 70 -3.761 -8.872 1.259 1.00 0.00 N ATOM 979 CA LYS A 70 -2.912 -9.469 2.282 1.00 0.00 C ATOM 980 C LYS A 70 -1.459 -9.517 1.806 1.00 0.00 C ATOM 981 O LYS A 70 -0.537 -9.109 2.514 1.00 0.00 O ATOM 982 CB LYS A 70 -3.416 -10.886 2.599 1.00 0.00 C ATOM 983 CG LYS A 70 -4.857 -10.919 3.131 1.00 0.00 C ATOM 984 CD LYS A 70 -5.429 -12.334 2.969 1.00 0.00 C ATOM 985 CE LYS A 70 -6.936 -12.363 3.245 1.00 0.00 C ATOM 986 NZ LYS A 70 -7.509 -13.682 2.919 1.00 0.00 N ATOM 0 H LYS A 70 -4.498 -9.494 0.926 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.956 -8.860 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.356 -11.495 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.755 -11.342 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.875 -10.626 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.473 -10.202 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.236 -12.693 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.919 -13.014 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.121 -12.131 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.432 -11.592 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.545 -13.607 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.140 -14.004 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.247 -14.366 3.657 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.256 -10.025 0.592 1.00 0.00 N ATOM 1001 CA ALA A 71 0.063 -10.199 0.022 1.00 0.00 C ATOM 1002 C ALA A 71 0.811 -8.886 -0.154 1.00 0.00 C ATOM 1003 O ALA A 71 2.030 -8.875 0.007 1.00 0.00 O ATOM 1004 CB ALA A 71 -0.032 -10.957 -1.300 1.00 0.00 C ATOM 0 H ALA A 71 -2.013 -10.327 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 71 0.645 -10.787 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.966 -11.082 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.478 -11.936 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.652 -10.394 -1.998 1.00 0.00 H new ATOM 1010 N LEU A 72 0.128 -7.782 -0.484 1.00 0.00 N ATOM 1011 CA LEU A 72 0.813 -6.518 -0.663 1.00 0.00 C ATOM 1012 C LEU A 72 1.444 -6.168 0.681 1.00 0.00 C ATOM 1013 O LEU A 72 2.644 -5.917 0.751 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.177 -5.460 -1.173 1.00 0.00 C ATOM 1015 CG LEU A 72 0.101 -4.987 -2.607 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.087 -4.148 -3.090 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.388 -4.164 -2.722 1.00 0.00 C ATOM 0 H LEU A 72 -0.881 -7.748 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 72 1.600 -6.569 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.186 -5.868 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.149 -4.599 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 72 0.234 -5.873 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.901 -3.806 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.993 -4.754 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.214 -3.286 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.532 -3.857 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.312 -3.280 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.236 -4.768 -2.401 1.00 0.00 H new ATOM 1029 N ALA A 73 0.640 -6.194 1.748 1.00 0.00 N ATOM 1030 CA ALA A 73 1.126 -5.949 3.096 1.00 0.00 C ATOM 1031 C ALA A 73 2.288 -6.879 3.453 1.00 0.00 C ATOM 1032 O ALA A 73 3.345 -6.411 3.877 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.030 -6.092 4.081 1.00 0.00 C ATOM 0 H ALA A 73 -0.361 -6.385 1.695 1.00 0.00 H new ATOM 0 HA ALA A 73 1.515 -4.932 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.330 -5.909 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.808 -5.369 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.439 -7.100 4.018 1.00 0.00 H new ATOM 1039 N ASP A 74 2.103 -8.193 3.286 1.00 0.00 N ATOM 1040 CA ASP A 74 3.154 -9.165 3.569 1.00 0.00 C ATOM 1041 C ASP A 74 4.462 -8.793 2.858 1.00 0.00 C ATOM 1042 O ASP A 74 5.522 -8.761 3.480 1.00 0.00 O ATOM 1043 CB ASP A 74 2.692 -10.564 3.150 1.00 0.00 C ATOM 1044 CG ASP A 74 3.802 -11.591 3.344 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.087 -11.906 4.519 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.355 -12.030 2.313 1.00 0.00 O ATOM 0 H ASP A 74 1.230 -8.605 2.955 1.00 0.00 H new ATOM 0 HA ASP A 74 3.349 -9.159 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.819 -10.853 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.384 -10.550 2.105 1.00 0.00 H new ATOM 1051 N TYR A 75 4.382 -8.514 1.555 1.00 0.00 N ATOM 1052 CA TYR A 75 5.534 -8.154 0.741 1.00 0.00 C ATOM 1053 C TYR A 75 6.198 -6.882 1.263 1.00 0.00 C ATOM 1054 O TYR A 75 7.399 -6.843 1.517 1.00 0.00 O ATOM 1055 CB TYR A 75 5.082 -7.963 -0.710 1.00 0.00 C ATOM 1056 CG TYR A 75 6.221 -7.821 -1.698 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.098 -8.900 -1.913 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.412 -6.615 -2.397 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.162 -8.776 -2.823 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.451 -6.509 -3.338 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.335 -7.580 -3.538 1.00 0.00 C ATOM 1062 OH TYR A 75 9.335 -7.465 -4.457 1.00 0.00 O ATOM 0 H TYR A 75 3.505 -8.533 1.035 1.00 0.00 H new ATOM 0 HA TYR A 75 6.270 -8.956 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.465 -8.813 -1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.451 -7.076 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.953 -9.826 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.762 -5.773 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.845 -9.599 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.569 -5.600 -3.909 1.00 0.00 H new ATOM 0 HH TYR A 75 9.309 -6.571 -4.859 1.00 0.00 H new ATOM 1072 N MET A 76 5.406 -5.824 1.416 1.00 0.00 N ATOM 1073 CA MET A 76 5.849 -4.541 1.896 1.00 0.00 C ATOM 1074 C MET A 76 6.496 -4.640 3.281 1.00 0.00 C ATOM 1075 O MET A 76 7.445 -3.916 3.563 1.00 0.00 O ATOM 1076 CB MET A 76 4.634 -3.623 1.850 1.00 0.00 C ATOM 1077 CG MET A 76 4.433 -3.056 0.438 1.00 0.00 C ATOM 1078 SD MET A 76 3.162 -1.775 0.269 1.00 0.00 S ATOM 1079 CE MET A 76 1.699 -2.764 0.604 1.00 0.00 C ATOM 0 H MET A 76 4.410 -5.848 1.200 1.00 0.00 H new ATOM 0 HA MET A 76 6.641 -4.131 1.269 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.744 -4.174 2.156 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.763 -2.806 2.560 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.382 -2.645 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.182 -3.880 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.819 -2.257 0.208 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.802 -3.739 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.588 -2.896 1.680 1.00 0.00 H new ATOM 1089 N SER A 77 6.036 -5.558 4.134 1.00 0.00 N ATOM 1090 CA SER A 77 6.653 -5.773 5.440 1.00 0.00 C ATOM 1091 C SER A 77 7.940 -6.609 5.327 1.00 0.00 C ATOM 1092 O SER A 77 8.468 -7.061 6.340 1.00 0.00 O ATOM 1093 CB SER A 77 5.644 -6.456 6.373 1.00 0.00 C ATOM 1094 OG SER A 77 5.880 -6.105 7.725 1.00 0.00 O ATOM 0 H SER A 77 5.238 -6.163 3.941 1.00 0.00 H new ATOM 0 HA SER A 77 6.934 -4.805 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.631 -6.169 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.712 -7.538 6.258 1.00 0.00 H new ATOM 0 HG SER A 77 5.865 -5.129 7.817 1.00 0.00 H new ATOM 1100 N LYS A 78 8.446 -6.841 4.112 1.00 0.00 N ATOM 1101 CA LYS A 78 9.618 -7.649 3.834 1.00 0.00 C ATOM 1102 C LYS A 78 10.373 -6.949 2.703 1.00 0.00 C ATOM 1103 O LYS A 78 10.858 -7.574 1.761 1.00 0.00 O ATOM 1104 CB LYS A 78 9.094 -9.045 3.476 1.00 0.00 C ATOM 1105 CG LYS A 78 10.166 -10.119 3.296 1.00 0.00 C ATOM 1106 CD LYS A 78 9.548 -11.522 3.362 1.00 0.00 C ATOM 1107 CE LYS A 78 8.416 -11.762 2.349 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.102 -11.309 2.848 1.00 0.00 N ATOM 0 H LYS A 78 8.027 -6.452 3.267 1.00 0.00 H new ATOM 0 HA LYS A 78 10.315 -7.760 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.407 -9.369 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.517 -8.973 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.667 -9.982 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.926 -10.014 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.332 -12.260 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.162 -11.689 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.648 -11.240 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.364 -12.825 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.359 -11.949 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.105 -11.313 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.915 -10.345 2.506 1.00 0.00 H new ATOM 1122 N LEU A 79 10.443 -5.623 2.812 1.00 0.00 N ATOM 1123 CA LEU A 79 11.031 -4.703 1.882 1.00 0.00 C ATOM 1124 C LEU A 79 11.612 -3.593 2.753 1.00 0.00 C ATOM 1125 O LEU A 79 12.739 -3.142 2.461 1.00 0.00 O ATOM 1126 CB LEU A 79 9.886 -4.158 1.017 1.00 0.00 C ATOM 1127 CG LEU A 79 9.761 -4.741 -0.400 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.740 -3.891 -1.168 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.076 -4.749 -1.190 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.912 -3.233 3.728 1.00 0.00 O ATOM 0 H LEU A 79 10.055 -5.142 3.623 1.00 0.00 H new ATOM 0 HA LEU A 79 11.794 -5.137 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.947 -4.334 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.006 -3.078 0.932 1.00 0.00 H new ATOM 0 HG LEU A 79 9.455 -5.782 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.629 -4.281 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.778 -3.929 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.087 -2.859 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.904 -5.175 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.444 -3.728 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.815 -5.349 -0.660 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 1.178 4.302 -1.036 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.544 4.727 2.356 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.402 1.028 -0.545 1.00 7.91 C HETATM 1146 CHC HEC A 80 1.177 3.873 -4.397 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.362 7.692 -1.435 1.00 10.53 C HETATM 1148 NA HEC A 80 1.088 3.101 0.571 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.318 3.437 1.895 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.207 2.272 2.736 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.754 1.266 1.942 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.725 1.772 0.586 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.374 -0.132 2.339 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.492 2.237 4.218 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.253 2.210 5.122 1.00 11.15 C HETATM 1156 CGA HEC A 80 -0.476 3.543 5.200 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.521 4.115 6.287 1.00 18.65 O HETATM 1158 O2A HEC A 80 -1.003 3.983 4.180 1.00 17.21 O HETATM 1159 NB HEC A 80 0.801 2.772 -2.239 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.439 1.494 -1.859 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.164 0.697 -3.031 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.515 1.438 -4.115 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.851 2.764 -3.622 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.325 -0.728 -3.026 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.585 0.918 -5.535 1.00 6.35 C HETATM 1166 CBB HEC A 80 0.282 1.819 -6.745 1.00 6.48 C HETATM 1167 NC HEC A 80 1.330 5.533 -2.593 1.00 3.58 N HETATM 1168 C1C HEC A 80 1.343 5.175 -3.923 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.647 6.325 -4.748 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.923 7.363 -3.896 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.524 6.899 -2.572 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.730 6.243 -6.252 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.568 8.718 -4.178 1.00 3.39 C HETATM 1174 CBC HEC A 80 2.066 9.479 -5.412 1.00 10.94 C HETATM 1175 ND HEC A 80 1.291 5.882 0.218 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.267 7.214 -0.130 1.00 5.02 C HETATM 1177 C2D HEC A 80 1.072 8.031 1.053 1.00 3.97 C HETATM 1178 C3D HEC A 80 1.021 7.189 2.123 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.318 5.867 1.601 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.867 9.522 1.024 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.599 7.544 3.540 1.00 9.04 C HETATM 1182 CBD HEC A 80 1.168 6.779 4.747 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.791 7.502 6.033 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.631 8.228 6.558 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.340 7.331 6.480 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.733 9.999 0.565 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.026 9.755 0.444 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.745 9.892 2.042 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 2.508 5.534 -6.535 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.772 5.910 -6.652 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.970 7.226 -6.657 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.400 -1.360 -2.512 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.284 -0.782 -2.510 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.445 -1.075 -4.052 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.235 -0.630 2.785 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.440 -0.096 3.063 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 0.051 -0.685 1.457 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.778 5.761 4.762 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.252 6.704 4.665 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 2.239 8.879 -6.305 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.999 9.676 -5.309 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 2.603 10.424 -5.500 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -0.739 2.195 -6.672 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 0.978 2.658 -6.757 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.392 1.243 -7.664 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.437 1.450 4.756 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 0.553 1.911 6.126 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.834 8.598 3.689 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.486 7.450 3.584 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 2.099 1.358 4.434 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.092 3.110 4.477 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.305 8.771 -1.580 1.00 10.53 H new HETATM 0 HHC HEC A 80 1.314 3.711 -5.466 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.094 -0.006 -0.391 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.921 4.850 3.371 1.00 5.52 H new