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 38 TYR OH : rot 180:sc= 0.548 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -166:sc= 0.794 (180deg=0.00477) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 176:sc= 0.462 (180deg=0.437) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -159:sc= 0.91 (180deg=0.511) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 157:sc= 1.01 (180deg=0.714) USER MOD Set 3.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -164:sc= 1.24 (180deg=1.13) USER MOD Single : A 7 TYR OH : rot -149:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0442) USER MOD Single : A 9 SER OG : rot -65:sc= 1.1 USER MOD Single : A 19 SER OG : rot -119:sc= 1.42 USER MOD Single : A 25 SER OG : rot 180:sc= -0.111 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.524 (180deg=0.48) USER MOD Single : A 32 GLN : amide:sc= 2.31 K(o=2.3,f=-0.79) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0163 (180deg=-0.155) USER MOD Single : A 41 MET CE :methyl 151:sc= -3.93 (180deg=-6.51!) USER MOD Single : A 44 TYR OH : rot 126:sc= 1.04 USER MOD Single : A 48 SER OG : rot -92:sc= 1.38 USER MOD Single : A 49 TYR OH : rot 155:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 0.42 (180deg=0.377) USER MOD Single : A 56 MET CE :methyl 178:sc= 0 (180deg=-0.00968) USER MOD Single : A 57 MET CE :methyl 169:sc= -1.5 (180deg=-2.88) USER MOD Single : A 58 THR OG1 : rot -104:sc= -0.168 USER MOD Single : A 59 ASN : amide:sc= 0.416 X(o=0.42,f=-0.042) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.123 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0.334 (180deg=0.241) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -169:sc= -0.439 (180deg=-1.12) USER MOD Single : A 77 SER OG : rot -41:sc= 0.674 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.554 -12.352 -8.592 1.00 0.00 N ATOM 2 CA ALA A 1 -2.257 -11.647 -8.666 1.00 0.00 C ATOM 3 C ALA A 1 -1.540 -11.844 -7.332 1.00 0.00 C ATOM 4 O ALA A 1 -1.995 -12.698 -6.574 1.00 0.00 O ATOM 5 CB ALA A 1 -2.444 -10.170 -9.033 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.940 -12.469 -9.550 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.417 -13.287 -8.157 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.219 -11.797 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.640 -12.063 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.471 -9.681 -9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.934 -10.096 -10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.060 -9.682 -8.277 1.00 0.00 H new ATOM 13 N ASP A 2 -0.470 -11.098 -7.033 1.00 0.00 N ATOM 14 CA ASP A 2 0.246 -11.220 -5.770 1.00 0.00 C ATOM 15 C ASP A 2 0.886 -9.883 -5.406 1.00 0.00 C ATOM 16 O ASP A 2 1.129 -9.054 -6.283 1.00 0.00 O ATOM 17 CB ASP A 2 1.314 -12.330 -5.843 1.00 0.00 C ATOM 18 CG ASP A 2 2.717 -11.775 -6.097 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.977 -11.366 -7.249 1.00 0.00 O ATOM 20 OD2 ASP A 2 3.480 -11.697 -5.109 1.00 0.00 O ATOM 0 H ASP A 2 -0.081 -10.396 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.467 -11.496 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.313 -12.893 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.054 -13.029 -6.638 1.00 0.00 H new ATOM 25 N GLY A 3 1.186 -9.722 -4.117 1.00 0.00 N ATOM 26 CA GLY A 3 1.850 -8.565 -3.541 1.00 0.00 C ATOM 27 C GLY A 3 3.001 -8.047 -4.400 1.00 0.00 C ATOM 28 O GLY A 3 3.010 -6.875 -4.765 1.00 0.00 O ATOM 0 H GLY A 3 0.960 -10.430 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.121 -7.767 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.230 -8.826 -2.553 1.00 0.00 H new ATOM 32 N ALA A 4 3.961 -8.913 -4.741 1.00 0.00 N ATOM 33 CA ALA A 4 5.123 -8.522 -5.529 1.00 0.00 C ATOM 34 C ALA A 4 4.709 -7.900 -6.864 1.00 0.00 C ATOM 35 O ALA A 4 5.168 -6.813 -7.210 1.00 0.00 O ATOM 36 CB ALA A 4 6.049 -9.723 -5.737 1.00 0.00 C ATOM 0 H ALA A 4 3.950 -9.898 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 4 5.670 -7.758 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.913 -9.418 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.384 -10.096 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.510 -10.511 -6.263 1.00 0.00 H new ATOM 42 N ALA A 5 3.843 -8.585 -7.617 1.00 0.00 N ATOM 43 CA ALA A 5 3.368 -8.086 -8.899 1.00 0.00 C ATOM 44 C ALA A 5 2.666 -6.736 -8.735 1.00 0.00 C ATOM 45 O ALA A 5 2.892 -5.821 -9.521 1.00 0.00 O ATOM 46 CB ALA A 5 2.436 -9.114 -9.546 1.00 0.00 C ATOM 0 H ALA A 5 3.458 -9.492 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 5 4.226 -7.933 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.084 -8.734 -10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.976 -10.048 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.583 -9.294 -8.892 1.00 0.00 H new ATOM 52 N LEU A 6 1.811 -6.613 -7.718 1.00 0.00 N ATOM 53 CA LEU A 6 1.051 -5.393 -7.467 1.00 0.00 C ATOM 54 C LEU A 6 1.974 -4.217 -7.134 1.00 0.00 C ATOM 55 O LEU A 6 1.853 -3.141 -7.722 1.00 0.00 O ATOM 56 CB LEU A 6 0.059 -5.630 -6.332 1.00 0.00 C ATOM 57 CG LEU A 6 -0.979 -6.690 -6.726 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.477 -7.375 -5.467 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.189 -6.099 -7.453 1.00 0.00 C ATOM 0 H LEU A 6 1.628 -7.358 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 6 0.506 -5.136 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.593 -5.952 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.445 -4.696 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.487 -7.385 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.216 -8.131 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.640 -7.849 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.934 -6.637 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.887 -6.897 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.684 -5.375 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.859 -5.604 -8.366 1.00 0.00 H new ATOM 71 N TYR A 7 2.892 -4.441 -6.186 1.00 0.00 N ATOM 72 CA TYR A 7 3.824 -3.460 -5.640 1.00 0.00 C ATOM 73 C TYR A 7 4.423 -2.535 -6.689 1.00 0.00 C ATOM 74 O TYR A 7 4.596 -1.341 -6.460 1.00 0.00 O ATOM 75 CB TYR A 7 4.968 -4.168 -4.919 1.00 0.00 C ATOM 76 CG TYR A 7 5.819 -3.194 -4.131 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.301 -2.600 -2.964 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.002 -2.691 -4.703 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.948 -1.492 -2.391 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.644 -1.583 -4.129 1.00 0.00 C ATOM 81 CZ TYR A 7 7.106 -0.968 -2.987 1.00 0.00 C ATOM 82 OH TYR A 7 7.681 0.154 -2.474 1.00 0.00 O ATOM 0 H TYR A 7 3.007 -5.361 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 7 3.239 -2.847 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.562 -4.924 -4.247 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.590 -4.689 -5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.405 -2.996 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.416 -3.158 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.554 -1.043 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.555 -1.202 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 7 8.117 0.657 -3.194 1.00 0.00 H new ATOM 92 N LYS A 8 4.782 -3.112 -7.829 1.00 0.00 N ATOM 93 CA LYS A 8 5.343 -2.438 -8.964 1.00 0.00 C ATOM 94 C LYS A 8 4.618 -1.120 -9.278 1.00 0.00 C ATOM 95 O LYS A 8 5.267 -0.114 -9.549 1.00 0.00 O ATOM 96 CB LYS A 8 5.259 -3.443 -10.108 1.00 0.00 C ATOM 97 CG LYS A 8 6.196 -4.643 -9.902 1.00 0.00 C ATOM 98 CD LYS A 8 6.084 -5.611 -11.085 1.00 0.00 C ATOM 99 CE LYS A 8 6.919 -6.877 -10.854 1.00 0.00 C ATOM 100 NZ LYS A 8 8.359 -6.581 -10.764 1.00 0.00 N ATOM 0 H LYS A 8 4.679 -4.115 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 8 6.373 -2.134 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.233 -3.798 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.511 -2.945 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.225 -4.297 -9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.941 -5.158 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.040 -5.885 -11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.418 -5.114 -11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.591 -7.365 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.744 -7.580 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.895 -7.472 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.654 -6.034 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.547 -6.028 -9.903 1.00 0.00 H new ATOM 114 N SER A 9 3.283 -1.100 -9.202 1.00 0.00 N ATOM 115 CA SER A 9 2.501 0.102 -9.497 1.00 0.00 C ATOM 116 C SER A 9 2.672 1.219 -8.454 1.00 0.00 C ATOM 117 O SER A 9 2.334 2.369 -8.723 1.00 0.00 O ATOM 118 CB SER A 9 1.024 -0.276 -9.659 1.00 0.00 C ATOM 119 OG SER A 9 0.501 -0.842 -8.473 1.00 0.00 O ATOM 0 H SER A 9 2.720 -1.908 -8.937 1.00 0.00 H new ATOM 0 HA SER A 9 2.885 0.514 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.448 0.610 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.917 -0.985 -10.480 1.00 0.00 H new ATOM 0 HG SER A 9 0.952 -1.692 -8.290 1.00 0.00 H new ATOM 125 N CYS A 10 3.169 0.880 -7.264 1.00 0.00 N ATOM 126 CA CYS A 10 3.353 1.769 -6.121 1.00 0.00 C ATOM 127 C CYS A 10 4.723 2.455 -6.167 1.00 0.00 C ATOM 128 O CYS A 10 4.941 3.500 -5.538 1.00 0.00 O ATOM 129 CB CYS A 10 3.205 0.949 -4.833 1.00 0.00 C ATOM 130 SG CYS A 10 1.971 -0.390 -4.843 1.00 0.00 S ATOM 0 H CYS A 10 3.470 -0.074 -7.063 1.00 0.00 H new ATOM 0 HA CYS A 10 2.597 2.553 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.176 0.514 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.956 1.634 -4.022 1.00 0.00 H new ATOM 135 N ILE A 11 5.668 1.843 -6.891 1.00 0.00 N ATOM 136 CA ILE A 11 6.984 2.418 -7.125 1.00 0.00 C ATOM 137 C ILE A 11 6.764 3.807 -7.727 1.00 0.00 C ATOM 138 O ILE A 11 5.771 4.049 -8.410 1.00 0.00 O ATOM 139 CB ILE A 11 7.814 1.513 -8.054 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.984 0.119 -7.420 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.193 2.123 -8.361 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.776 -0.864 -8.286 1.00 0.00 C ATOM 0 H ILE A 11 5.534 0.932 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 11 7.549 2.501 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 11 7.274 1.421 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.486 0.227 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.998 -0.301 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.748 1.455 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.063 3.088 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.746 2.259 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.853 -1.822 -7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.265 -1.003 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.775 -0.468 -8.465 1.00 0.00 H new ATOM 154 N GLY A 12 7.670 4.740 -7.443 1.00 0.00 N ATOM 155 CA GLY A 12 7.517 6.119 -7.867 1.00 0.00 C ATOM 156 C GLY A 12 7.018 6.924 -6.676 1.00 0.00 C ATOM 157 O GLY A 12 7.583 7.976 -6.390 1.00 0.00 O ATOM 0 H GLY A 12 8.524 4.558 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.467 6.516 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.812 6.187 -8.695 1.00 0.00 H new ATOM 161 N CYS A 13 5.997 6.435 -5.954 1.00 0.00 N ATOM 162 CA CYS A 13 5.540 7.114 -4.755 1.00 0.00 C ATOM 163 C CYS A 13 6.295 6.526 -3.570 1.00 0.00 C ATOM 164 O CYS A 13 6.751 7.265 -2.705 1.00 0.00 O ATOM 165 CB CYS A 13 4.029 6.969 -4.598 1.00 0.00 C ATOM 166 SG CYS A 13 3.066 8.223 -5.497 1.00 0.00 S ATOM 0 H CYS A 13 5.485 5.583 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 13 5.742 8.183 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.732 5.980 -4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.778 7.024 -3.539 1.00 0.00 H new ATOM 171 N HIS A 14 6.451 5.198 -3.553 1.00 0.00 N ATOM 172 CA HIS A 14 7.126 4.478 -2.477 1.00 0.00 C ATOM 173 C HIS A 14 8.550 4.047 -2.820 1.00 0.00 C ATOM 174 O HIS A 14 9.324 3.691 -1.932 1.00 0.00 O ATOM 175 CB HIS A 14 6.262 3.275 -2.127 1.00 0.00 C ATOM 176 CG HIS A 14 4.979 3.735 -1.514 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.951 4.289 -0.249 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.714 3.908 -2.014 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.689 4.661 -0.010 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.857 4.297 -0.984 1.00 0.00 N ATOM 0 H HIS A 14 6.107 4.590 -4.296 1.00 0.00 H new ATOM 0 HA HIS A 14 7.239 5.151 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.058 2.689 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.794 2.623 -1.434 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.744 4.395 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.426 3.765 -3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.379 5.197 0.875 1.00 0.00 H new ATOM 188 N GLY A 15 8.915 4.102 -4.101 1.00 0.00 N ATOM 189 CA GLY A 15 10.223 3.641 -4.528 1.00 0.00 C ATOM 190 C GLY A 15 10.292 2.118 -4.416 1.00 0.00 C ATOM 191 O GLY A 15 9.265 1.451 -4.289 1.00 0.00 O ATOM 0 H GLY A 15 8.324 4.460 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.410 3.949 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.999 4.096 -3.913 1.00 0.00 H new ATOM 195 N ALA A 16 11.500 1.556 -4.471 1.00 0.00 N ATOM 196 CA ALA A 16 11.682 0.115 -4.408 1.00 0.00 C ATOM 197 C ALA A 16 11.410 -0.413 -2.998 1.00 0.00 C ATOM 198 O ALA A 16 10.393 -1.052 -2.748 1.00 0.00 O ATOM 199 CB ALA A 16 13.090 -0.249 -4.892 1.00 0.00 C ATOM 0 H ALA A 16 12.368 2.085 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 16 10.959 -0.365 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.223 -1.330 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.219 0.087 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.830 0.237 -4.256 1.00 0.00 H new ATOM 205 N ASP A 17 12.301 -0.119 -2.051 1.00 0.00 N ATOM 206 CA ASP A 17 12.257 -0.639 -0.691 1.00 0.00 C ATOM 207 C ASP A 17 11.335 0.178 0.213 1.00 0.00 C ATOM 208 O ASP A 17 11.740 0.578 1.298 1.00 0.00 O ATOM 209 CB ASP A 17 13.682 -0.734 -0.131 1.00 0.00 C ATOM 210 CG ASP A 17 14.345 0.625 0.097 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.275 1.459 -0.836 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.916 0.815 1.192 1.00 0.00 O ATOM 0 H ASP A 17 13.092 0.503 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 17 11.828 -1.640 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.656 -1.279 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.295 -1.317 -0.819 1.00 0.00 H new ATOM 217 N GLY A 18 10.115 0.432 -0.267 1.00 0.00 N ATOM 218 CA GLY A 18 9.019 1.173 0.370 1.00 0.00 C ATOM 219 C GLY A 18 9.462 2.334 1.265 1.00 0.00 C ATOM 220 O GLY A 18 8.830 2.618 2.290 1.00 0.00 O ATOM 0 H GLY A 18 9.844 0.096 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.363 1.563 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.428 0.478 0.967 1.00 0.00 H new ATOM 224 N SER A 19 10.532 3.009 0.854 1.00 0.00 N ATOM 225 CA SER A 19 11.270 3.999 1.600 1.00 0.00 C ATOM 226 C SER A 19 10.743 5.406 1.370 1.00 0.00 C ATOM 227 O SER A 19 10.544 6.152 2.327 1.00 0.00 O ATOM 228 CB SER A 19 12.719 3.859 1.127 1.00 0.00 C ATOM 229 OG SER A 19 12.737 3.631 -0.277 1.00 0.00 O ATOM 0 H SER A 19 10.926 2.861 -0.075 1.00 0.00 H new ATOM 0 HA SER A 19 11.173 3.836 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.281 4.762 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.205 3.033 1.647 1.00 0.00 H new ATOM 0 HG SER A 19 13.156 2.765 -0.462 1.00 0.00 H new ATOM 235 N LYS A 20 10.560 5.791 0.105 1.00 0.00 N ATOM 236 CA LYS A 20 10.112 7.085 -0.284 1.00 0.00 C ATOM 237 C LYS A 20 8.821 7.443 0.459 1.00 0.00 C ATOM 238 O LYS A 20 7.820 6.729 0.387 1.00 0.00 O ATOM 239 CB LYS A 20 9.972 7.045 -1.807 1.00 0.00 C ATOM 240 CG LYS A 20 9.992 8.473 -2.290 1.00 0.00 C ATOM 241 CD LYS A 20 9.727 8.594 -3.793 1.00 0.00 C ATOM 242 CE LYS A 20 9.482 10.060 -4.162 1.00 0.00 C ATOM 243 NZ LYS A 20 9.233 10.209 -5.606 1.00 0.00 N ATOM 0 H LYS A 20 10.732 5.172 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 20 10.811 7.877 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.787 6.475 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.043 6.553 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.241 9.046 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.961 8.916 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.577 8.206 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.862 7.991 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.629 10.442 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.346 10.660 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.703 11.087 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.140 10.247 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.679 9.398 -5.948 1.00 0.00 H new ATOM 257 N ALA A 21 8.858 8.570 1.171 1.00 0.00 N ATOM 258 CA ALA A 21 7.776 9.088 1.992 1.00 0.00 C ATOM 259 C ALA A 21 6.668 9.712 1.135 1.00 0.00 C ATOM 260 O ALA A 21 6.211 10.820 1.425 1.00 0.00 O ATOM 261 CB ALA A 21 8.403 10.111 2.946 1.00 0.00 C ATOM 0 H ALA A 21 9.683 9.170 1.188 1.00 0.00 H new ATOM 0 HA ALA A 21 7.295 8.286 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.629 10.532 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.157 9.620 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.869 10.909 2.368 1.00 0.00 H new ATOM 267 N ALA A 22 6.216 8.994 0.099 1.00 0.00 N ATOM 268 CA ALA A 22 5.228 9.461 -0.863 1.00 0.00 C ATOM 269 C ALA A 22 5.695 10.766 -1.521 1.00 0.00 C ATOM 270 O ALA A 22 6.848 11.178 -1.379 1.00 0.00 O ATOM 271 CB ALA A 22 3.855 9.581 -0.196 1.00 0.00 C ATOM 0 H ALA A 22 6.541 8.046 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 22 5.124 8.730 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.125 9.931 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.549 8.606 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.912 10.291 0.629 1.00 0.00 H new ATOM 277 N MET A 23 4.802 11.442 -2.247 1.00 0.00 N ATOM 278 CA MET A 23 5.116 12.723 -2.862 1.00 0.00 C ATOM 279 C MET A 23 4.979 13.821 -1.801 1.00 0.00 C ATOM 280 O MET A 23 4.159 14.727 -1.937 1.00 0.00 O ATOM 281 CB MET A 23 4.199 12.951 -4.075 1.00 0.00 C ATOM 282 CG MET A 23 4.399 11.895 -5.170 1.00 0.00 C ATOM 283 SD MET A 23 6.058 11.825 -5.897 1.00 0.00 S ATOM 284 CE MET A 23 5.777 10.610 -7.203 1.00 0.00 C ATOM 0 H MET A 23 3.851 11.117 -2.421 1.00 0.00 H new ATOM 0 HA MET A 23 6.141 12.741 -3.232 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.159 12.938 -3.748 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.390 13.941 -4.490 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.163 10.916 -4.753 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.680 12.084 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.703 10.447 -7.754 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.447 9.670 -6.761 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.010 10.979 -7.884 1.00 0.00 H new ATOM 294 N GLY A 24 5.767 13.730 -0.725 1.00 0.00 N ATOM 295 CA GLY A 24 5.734 14.701 0.356 1.00 0.00 C ATOM 296 C GLY A 24 6.540 14.215 1.557 1.00 0.00 C ATOM 297 O GLY A 24 7.769 14.201 1.514 1.00 0.00 O ATOM 0 H GLY A 24 6.443 12.979 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.135 15.652 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.702 14.881 0.656 1.00 0.00 H new ATOM 301 N SER A 25 5.863 13.850 2.650 1.00 0.00 N ATOM 302 CA SER A 25 6.510 13.382 3.871 1.00 0.00 C ATOM 303 C SER A 25 5.577 12.452 4.646 1.00 0.00 C ATOM 304 O SER A 25 5.274 12.680 5.815 1.00 0.00 O ATOM 305 CB SER A 25 6.957 14.571 4.727 1.00 0.00 C ATOM 306 OG SER A 25 7.800 15.438 3.990 1.00 0.00 O ATOM 0 H SER A 25 4.845 13.872 2.709 1.00 0.00 H new ATOM 0 HA SER A 25 7.400 12.812 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.083 15.120 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.484 14.210 5.611 1.00 0.00 H new ATOM 0 HG SER A 25 8.071 16.190 4.557 1.00 0.00 H new ATOM 312 N ALA A 26 5.104 11.412 3.966 1.00 0.00 N ATOM 313 CA ALA A 26 4.226 10.391 4.521 1.00 0.00 C ATOM 314 C ALA A 26 5.045 9.357 5.305 1.00 0.00 C ATOM 315 O ALA A 26 6.253 9.256 5.101 1.00 0.00 O ATOM 316 CB ALA A 26 3.491 9.738 3.353 1.00 0.00 C ATOM 0 H ALA A 26 5.329 11.253 2.984 1.00 0.00 H new ATOM 0 HA ALA A 26 3.509 10.829 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.822 8.965 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.911 10.492 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.215 9.290 2.672 1.00 0.00 H new ATOM 322 N LYS A 27 4.426 8.574 6.198 1.00 0.00 N ATOM 323 CA LYS A 27 5.188 7.561 6.926 1.00 0.00 C ATOM 324 C LYS A 27 5.750 6.545 5.931 1.00 0.00 C ATOM 325 O LYS A 27 4.982 6.037 5.111 1.00 0.00 O ATOM 326 CB LYS A 27 4.351 6.790 7.961 1.00 0.00 C ATOM 327 CG LYS A 27 3.511 7.702 8.854 1.00 0.00 C ATOM 328 CD LYS A 27 3.074 7.016 10.158 1.00 0.00 C ATOM 329 CE LYS A 27 2.109 5.846 9.929 1.00 0.00 C ATOM 330 NZ LYS A 27 0.831 6.292 9.344 1.00 0.00 N ATOM 0 H LYS A 27 3.433 8.621 6.426 1.00 0.00 H new ATOM 0 HA LYS A 27 5.974 8.093 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.692 6.094 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.016 6.193 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.085 8.597 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.627 8.027 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.957 6.653 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.597 7.751 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.575 5.115 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.918 5.342 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.234 5.465 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.341 6.917 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.015 6.809 8.461 1.00 0.00 H new ATOM 344 N PRO A 28 7.056 6.233 5.960 1.00 0.00 N ATOM 345 CA PRO A 28 7.587 5.187 5.114 1.00 0.00 C ATOM 346 C PRO A 28 6.839 3.886 5.386 1.00 0.00 C ATOM 347 O PRO A 28 6.383 3.631 6.501 1.00 0.00 O ATOM 348 CB PRO A 28 9.074 5.076 5.454 1.00 0.00 C ATOM 349 CG PRO A 28 9.409 6.478 5.963 1.00 0.00 C ATOM 350 CD PRO A 28 8.126 6.900 6.683 1.00 0.00 C ATOM 0 HA PRO A 28 7.464 5.405 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.260 4.315 6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.670 4.809 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.265 6.468 6.637 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.654 7.156 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.143 6.599 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.000 7.983 6.665 1.00 0.00 H new ATOM 358 N VAL A 29 6.705 3.073 4.346 1.00 0.00 N ATOM 359 CA VAL A 29 5.910 1.860 4.375 1.00 0.00 C ATOM 360 C VAL A 29 6.782 0.669 4.744 1.00 0.00 C ATOM 361 O VAL A 29 6.334 -0.246 5.434 1.00 0.00 O ATOM 362 CB VAL A 29 5.317 1.690 2.978 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.264 0.591 2.938 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.592 2.964 2.553 1.00 0.00 C ATOM 0 H VAL A 29 7.154 3.244 3.446 1.00 0.00 H new ATOM 0 HA VAL A 29 5.119 1.922 5.122 1.00 0.00 H new ATOM 0 HB VAL A 29 6.154 1.449 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.868 0.503 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.715 -0.356 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.454 0.838 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.174 2.829 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.788 3.177 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.295 3.797 2.542 1.00 0.00 H new ATOM 374 N LYS A 30 8.019 0.691 4.243 1.00 0.00 N ATOM 375 CA LYS A 30 9.047 -0.307 4.461 1.00 0.00 C ATOM 376 C LYS A 30 8.970 -0.873 5.884 1.00 0.00 C ATOM 377 O LYS A 30 9.407 -0.230 6.837 1.00 0.00 O ATOM 378 CB LYS A 30 10.392 0.380 4.240 1.00 0.00 C ATOM 379 CG LYS A 30 11.549 -0.622 4.282 1.00 0.00 C ATOM 380 CD LYS A 30 12.912 0.068 4.390 1.00 0.00 C ATOM 381 CE LYS A 30 14.042 -0.937 4.123 1.00 0.00 C ATOM 382 NZ LYS A 30 13.881 -2.186 4.891 1.00 0.00 N ATOM 0 H LYS A 30 8.339 1.451 3.643 1.00 0.00 H new ATOM 0 HA LYS A 30 8.915 -1.143 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.387 0.891 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.542 1.142 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.415 -1.292 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.526 -1.238 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.969 0.888 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.030 0.502 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.072 -1.170 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.998 -0.479 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.718 -2.788 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.777 -1.961 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.034 -2.691 4.559 1.00 0.00 H new ATOM 396 N GLY A 31 8.396 -2.063 6.035 1.00 0.00 N ATOM 397 CA GLY A 31 8.332 -2.730 7.318 1.00 0.00 C ATOM 398 C GLY A 31 7.586 -2.002 8.442 1.00 0.00 C ATOM 399 O GLY A 31 8.045 -2.102 9.578 1.00 0.00 O ATOM 0 H GLY A 31 7.966 -2.585 5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.860 -3.702 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.352 -2.918 7.654 1.00 0.00 H new ATOM 403 N GLN A 32 6.449 -1.314 8.203 1.00 0.00 N ATOM 404 CA GLN A 32 5.670 -0.806 9.356 1.00 0.00 C ATOM 405 C GLN A 32 5.345 -2.004 10.257 1.00 0.00 C ATOM 406 O GLN A 32 5.557 -2.019 11.466 1.00 0.00 O ATOM 407 CB GLN A 32 4.375 -0.062 8.970 1.00 0.00 C ATOM 408 CG GLN A 32 4.559 0.886 7.786 1.00 0.00 C ATOM 409 CD GLN A 32 3.424 1.896 7.623 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.262 1.545 7.801 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.732 3.136 7.246 1.00 0.00 N ATOM 0 H GLN A 32 6.066 -1.105 7.281 1.00 0.00 H new ATOM 0 HA GLN A 32 6.280 -0.061 9.868 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.602 -0.792 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.019 0.505 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.498 1.425 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.644 0.298 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.707 3.399 7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.992 3.823 7.098 1.00 0.00 H new ATOM 420 N GLY A 33 4.831 -3.015 9.569 1.00 0.00 N ATOM 421 CA GLY A 33 4.550 -4.371 10.025 1.00 0.00 C ATOM 422 C GLY A 33 3.369 -4.938 9.267 1.00 0.00 C ATOM 423 O GLY A 33 2.425 -4.215 8.992 1.00 0.00 O ATOM 0 H GLY A 33 4.577 -2.896 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.426 -5.003 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.339 -4.367 11.094 1.00 0.00 H new ATOM 427 N ALA A 34 3.408 -6.218 8.923 1.00 0.00 N ATOM 428 CA ALA A 34 2.351 -6.906 8.201 1.00 0.00 C ATOM 429 C ALA A 34 0.960 -6.582 8.741 1.00 0.00 C ATOM 430 O ALA A 34 0.043 -6.373 7.960 1.00 0.00 O ATOM 431 CB ALA A 34 2.621 -8.403 8.258 1.00 0.00 C ATOM 0 H ALA A 34 4.199 -6.822 9.146 1.00 0.00 H new ATOM 0 HA ALA A 34 2.358 -6.559 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.836 -8.935 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.585 -8.617 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.635 -8.731 9.297 1.00 0.00 H new ATOM 437 N GLU A 35 0.794 -6.522 10.062 1.00 0.00 N ATOM 438 CA GLU A 35 -0.455 -6.208 10.706 1.00 0.00 C ATOM 439 C GLU A 35 -0.908 -4.793 10.323 1.00 0.00 C ATOM 440 O GLU A 35 -2.028 -4.595 9.850 1.00 0.00 O ATOM 441 CB GLU A 35 -0.219 -6.332 12.215 1.00 0.00 C ATOM 442 CG GLU A 35 0.012 -7.775 12.703 1.00 0.00 C ATOM 443 CD GLU A 35 1.376 -8.364 12.340 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.311 -7.561 12.118 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.457 -9.609 12.278 1.00 0.00 O ATOM 0 H GLU A 35 1.553 -6.697 10.721 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.247 -6.888 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.645 -5.726 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.078 -5.916 12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.102 -7.800 13.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.767 -8.414 12.286 1.00 0.00 H new ATOM 452 N GLU A 36 -0.019 -3.814 10.524 1.00 0.00 N ATOM 453 CA GLU A 36 -0.241 -2.423 10.234 1.00 0.00 C ATOM 454 C GLU A 36 -0.588 -2.289 8.755 1.00 0.00 C ATOM 455 O GLU A 36 -1.650 -1.795 8.383 1.00 0.00 O ATOM 456 CB GLU A 36 1.089 -1.724 10.554 1.00 0.00 C ATOM 457 CG GLU A 36 1.332 -1.476 12.044 1.00 0.00 C ATOM 458 CD GLU A 36 0.456 -0.349 12.581 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.848 0.820 12.372 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.594 -0.674 13.174 1.00 0.00 O ATOM 0 H GLU A 36 0.908 -3.993 10.910 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.057 -1.986 10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.907 -2.328 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.118 -0.769 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.131 -2.390 12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.381 -1.229 12.205 1.00 0.00 H new ATOM 467 N LEU A 37 0.340 -2.756 7.924 1.00 0.00 N ATOM 468 CA LEU A 37 0.270 -2.729 6.484 1.00 0.00 C ATOM 469 C LEU A 37 -1.027 -3.361 5.998 1.00 0.00 C ATOM 470 O LEU A 37 -1.691 -2.777 5.157 1.00 0.00 O ATOM 471 CB LEU A 37 1.494 -3.451 5.917 1.00 0.00 C ATOM 472 CG LEU A 37 2.799 -2.663 6.134 1.00 0.00 C ATOM 473 CD1 LEU A 37 4.000 -3.589 5.944 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.904 -1.503 5.144 1.00 0.00 C ATOM 0 H LEU A 37 1.201 -3.183 8.264 1.00 0.00 H new ATOM 0 HA LEU A 37 0.274 -1.697 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.583 -4.431 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.349 -3.621 4.850 1.00 0.00 H new ATOM 0 HG LEU A 37 2.791 -2.264 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.921 -3.027 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.948 -4.405 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.989 -3.996 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.834 -0.961 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.894 -1.892 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.059 -0.828 5.283 1.00 0.00 H new ATOM 486 N TYR A 38 -1.396 -4.538 6.505 1.00 0.00 N ATOM 487 CA TYR A 38 -2.622 -5.219 6.115 1.00 0.00 C ATOM 488 C TYR A 38 -3.834 -4.343 6.395 1.00 0.00 C ATOM 489 O TYR A 38 -4.665 -4.131 5.514 1.00 0.00 O ATOM 490 CB TYR A 38 -2.728 -6.595 6.782 1.00 0.00 C ATOM 491 CG TYR A 38 -3.941 -7.417 6.383 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.233 -7.650 5.024 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.711 -8.051 7.377 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.300 -8.491 4.665 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.756 -8.920 7.016 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.042 -9.147 5.660 1.00 0.00 C ATOM 497 OH TYR A 38 -7.039 -10.007 5.305 1.00 0.00 O ATOM 0 H TYR A 38 -0.848 -5.044 7.200 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.593 -5.396 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.829 -7.165 6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.743 -6.456 7.863 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.635 -7.181 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.498 -7.869 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.549 -8.633 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.338 -9.412 7.781 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.454 -10.378 6.112 1.00 0.00 H new ATOM 507 N LYS A 39 -3.923 -3.818 7.614 1.00 0.00 N ATOM 508 CA LYS A 39 -5.041 -2.975 8.005 1.00 0.00 C ATOM 509 C LYS A 39 -5.139 -1.748 7.108 1.00 0.00 C ATOM 510 O LYS A 39 -6.182 -1.471 6.526 1.00 0.00 O ATOM 511 CB LYS A 39 -4.863 -2.562 9.472 1.00 0.00 C ATOM 512 CG LYS A 39 -6.081 -1.861 10.092 1.00 0.00 C ATOM 513 CD LYS A 39 -7.314 -2.774 10.168 1.00 0.00 C ATOM 514 CE LYS A 39 -8.489 -2.087 10.877 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.199 -1.809 12.295 1.00 0.00 N ATOM 0 H LYS A 39 -3.230 -3.964 8.348 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.970 -3.535 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.633 -3.450 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.001 -1.898 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.826 -1.517 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.325 -0.976 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.615 -3.062 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.055 -3.691 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.723 -1.153 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.374 -2.720 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.077 -1.536 12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.806 -2.661 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.510 -1.033 12.363 1.00 0.00 H new ATOM 529 N LYS A 40 -4.044 -1.003 7.017 1.00 0.00 N ATOM 530 CA LYS A 40 -3.937 0.213 6.248 1.00 0.00 C ATOM 531 C LYS A 40 -4.214 -0.031 4.760 1.00 0.00 C ATOM 532 O LYS A 40 -5.012 0.681 4.151 1.00 0.00 O ATOM 533 CB LYS A 40 -2.521 0.723 6.493 1.00 0.00 C ATOM 534 CG LYS A 40 -2.349 1.252 7.925 1.00 0.00 C ATOM 535 CD LYS A 40 -0.861 1.379 8.275 1.00 0.00 C ATOM 536 CE LYS A 40 -0.643 1.882 9.705 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.220 3.221 9.913 1.00 0.00 N ATOM 0 H LYS A 40 -3.178 -1.246 7.498 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.680 0.949 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.808 -0.082 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.291 1.516 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.836 2.223 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.838 0.579 8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.377 0.409 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.382 2.063 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.092 1.181 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.425 1.910 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.766 3.671 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.060 3.803 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.242 3.136 10.086 1.00 0.00 H new ATOM 551 N MET A 41 -3.562 -1.036 4.169 1.00 0.00 N ATOM 552 CA MET A 41 -3.731 -1.353 2.762 1.00 0.00 C ATOM 553 C MET A 41 -5.165 -1.802 2.493 1.00 0.00 C ATOM 554 O MET A 41 -5.754 -1.382 1.499 1.00 0.00 O ATOM 555 CB MET A 41 -2.636 -2.304 2.243 1.00 0.00 C ATOM 556 CG MET A 41 -2.772 -3.814 2.500 1.00 0.00 C ATOM 557 SD MET A 41 -3.952 -4.677 1.463 1.00 0.00 S ATOM 558 CE MET A 41 -3.359 -4.086 -0.132 1.00 0.00 C ATOM 0 H MET A 41 -2.906 -1.646 4.657 1.00 0.00 H new ATOM 0 HA MET A 41 -3.585 -0.450 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.560 -2.160 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.689 -1.981 2.675 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.794 -4.276 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.056 -3.962 3.542 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.568 -4.833 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.865 -3.155 -0.386 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.284 -3.912 -0.079 1.00 0.00 H new ATOM 568 N LYS A 42 -5.755 -2.604 3.388 1.00 0.00 N ATOM 569 CA LYS A 42 -7.159 -2.971 3.252 1.00 0.00 C ATOM 570 C LYS A 42 -7.998 -1.694 3.354 1.00 0.00 C ATOM 571 O LYS A 42 -8.943 -1.509 2.592 1.00 0.00 O ATOM 572 CB LYS A 42 -7.549 -4.018 4.302 1.00 0.00 C ATOM 573 CG LYS A 42 -9.002 -4.477 4.108 1.00 0.00 C ATOM 574 CD LYS A 42 -9.414 -5.579 5.092 1.00 0.00 C ATOM 575 CE LYS A 42 -8.623 -6.873 4.870 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.187 -7.989 5.648 1.00 0.00 N ATOM 0 H LYS A 42 -5.285 -3.003 4.201 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.344 -3.433 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.880 -4.876 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.426 -3.600 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.667 -3.622 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.130 -4.840 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.259 -5.230 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.479 -5.782 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.629 -7.127 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.582 -6.718 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.508 -8.776 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.379 -7.673 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.073 -8.307 5.206 1.00 0.00 H new ATOM 590 N GLY A 43 -7.625 -0.812 4.285 1.00 0.00 N ATOM 591 CA GLY A 43 -8.222 0.490 4.503 1.00 0.00 C ATOM 592 C GLY A 43 -8.317 1.251 3.188 1.00 0.00 C ATOM 593 O GLY A 43 -9.384 1.755 2.844 1.00 0.00 O ATOM 0 H GLY A 43 -6.861 -1.004 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.215 0.375 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.625 1.057 5.217 1.00 0.00 H new ATOM 597 N TYR A 44 -7.205 1.337 2.455 1.00 0.00 N ATOM 598 CA TYR A 44 -7.180 2.008 1.162 1.00 0.00 C ATOM 599 C TYR A 44 -7.905 1.200 0.083 1.00 0.00 C ATOM 600 O TYR A 44 -8.576 1.796 -0.752 1.00 0.00 O ATOM 601 CB TYR A 44 -5.747 2.374 0.741 1.00 0.00 C ATOM 602 CG TYR A 44 -5.182 3.593 1.443 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.911 4.795 1.446 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.881 3.590 1.982 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.480 5.864 2.237 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.439 4.682 2.750 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.300 5.765 2.981 1.00 0.00 C ATOM 608 OH TYR A 44 -3.933 6.776 3.818 1.00 0.00 O ATOM 0 H TYR A 44 -6.307 0.946 2.741 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.729 2.943 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.095 1.522 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.730 2.549 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.800 4.892 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.224 2.751 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.062 6.773 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.440 4.687 3.161 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.782 6.417 4.717 1.00 0.00 H new ATOM 618 N ALA A 45 -7.803 -0.133 0.074 1.00 0.00 N ATOM 619 CA ALA A 45 -8.491 -0.935 -0.929 1.00 0.00 C ATOM 620 C ALA A 45 -10.003 -0.720 -0.835 1.00 0.00 C ATOM 621 O ALA A 45 -10.675 -0.513 -1.841 1.00 0.00 O ATOM 622 CB ALA A 45 -8.117 -2.410 -0.772 1.00 0.00 C ATOM 0 H ALA A 45 -7.255 -0.671 0.745 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.175 -0.617 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.637 -3.000 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.041 -2.528 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.406 -2.755 0.221 1.00 0.00 H new ATOM 628 N ASP A 46 -10.532 -0.770 0.389 1.00 0.00 N ATOM 629 CA ASP A 46 -11.935 -0.509 0.667 1.00 0.00 C ATOM 630 C ASP A 46 -12.237 0.975 0.437 1.00 0.00 C ATOM 631 O ASP A 46 -13.271 1.321 -0.127 1.00 0.00 O ATOM 632 CB ASP A 46 -12.240 -0.920 2.110 1.00 0.00 C ATOM 633 CG ASP A 46 -13.646 -0.499 2.521 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.596 -1.204 2.118 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.736 0.521 3.240 1.00 0.00 O ATOM 0 H ASP A 46 -9.987 -0.996 1.221 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.569 -1.090 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.137 -2.000 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.511 -0.466 2.781 1.00 0.00 H new ATOM 640 N GLY A 47 -11.332 1.842 0.896 1.00 0.00 N ATOM 641 CA GLY A 47 -11.428 3.288 0.777 1.00 0.00 C ATOM 642 C GLY A 47 -11.907 3.932 2.075 1.00 0.00 C ATOM 643 O GLY A 47 -12.492 5.012 2.047 1.00 0.00 O ATOM 0 H GLY A 47 -10.485 1.540 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.454 3.696 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.115 3.542 -0.030 1.00 0.00 H new ATOM 647 N SER A 48 -11.646 3.289 3.214 1.00 0.00 N ATOM 648 CA SER A 48 -11.991 3.763 4.539 1.00 0.00 C ATOM 649 C SER A 48 -10.842 4.608 5.087 1.00 0.00 C ATOM 650 O SER A 48 -11.068 5.697 5.612 1.00 0.00 O ATOM 651 CB SER A 48 -12.259 2.549 5.438 1.00 0.00 C ATOM 652 OG SER A 48 -11.717 1.367 4.878 1.00 0.00 O ATOM 0 H SER A 48 -11.169 2.388 3.230 1.00 0.00 H new ATOM 0 HA SER A 48 -12.886 4.384 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.825 2.720 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.333 2.428 5.580 1.00 0.00 H new ATOM 0 HG SER A 48 -12.395 0.926 4.325 1.00 0.00 H new ATOM 658 N TYR A 49 -9.608 4.109 4.980 1.00 0.00 N ATOM 659 CA TYR A 49 -8.442 4.830 5.478 1.00 0.00 C ATOM 660 C TYR A 49 -8.067 5.970 4.515 1.00 0.00 C ATOM 661 O TYR A 49 -8.378 5.908 3.328 1.00 0.00 O ATOM 662 CB TYR A 49 -7.297 3.839 5.770 1.00 0.00 C ATOM 663 CG TYR A 49 -6.016 4.451 6.315 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.065 5.389 7.365 1.00 0.00 C ATOM 665 CD2 TYR A 49 -4.770 4.102 5.760 1.00 0.00 C ATOM 666 CE1 TYR A 49 -4.909 6.097 7.730 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.601 4.769 6.172 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.676 5.783 7.142 1.00 0.00 C ATOM 669 OH TYR A 49 -2.577 6.504 7.496 1.00 0.00 O ATOM 0 H TYR A 49 -9.394 3.208 4.552 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.670 5.314 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.656 3.098 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.060 3.306 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.993 5.564 7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.711 3.321 5.017 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.970 6.885 8.466 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.647 4.502 5.743 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.772 5.963 7.357 1.00 0.00 H new ATOM 679 N GLY A 50 -7.424 7.015 5.048 1.00 0.00 N ATOM 680 CA GLY A 50 -6.987 8.214 4.342 1.00 0.00 C ATOM 681 C GLY A 50 -7.771 9.433 4.822 1.00 0.00 C ATOM 682 O GLY A 50 -8.810 9.294 5.466 1.00 0.00 O ATOM 0 H GLY A 50 -7.184 7.043 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.921 8.372 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.128 8.083 3.269 1.00 0.00 H new ATOM 686 N GLY A 51 -7.250 10.628 4.527 1.00 0.00 N ATOM 687 CA GLY A 51 -7.917 11.891 4.813 1.00 0.00 C ATOM 688 C GLY A 51 -8.761 12.193 3.582 1.00 0.00 C ATOM 689 O GLY A 51 -9.940 11.852 3.523 1.00 0.00 O ATOM 0 H GLY A 51 -6.342 10.741 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.538 11.814 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.193 12.685 4.997 1.00 0.00 H new ATOM 693 N GLU A 52 -8.128 12.731 2.539 1.00 0.00 N ATOM 694 CA GLU A 52 -8.757 12.953 1.241 1.00 0.00 C ATOM 695 C GLU A 52 -8.798 11.634 0.447 1.00 0.00 C ATOM 696 O GLU A 52 -8.561 11.609 -0.759 1.00 0.00 O ATOM 697 CB GLU A 52 -8.053 14.114 0.505 1.00 0.00 C ATOM 698 CG GLU A 52 -6.623 13.881 -0.032 1.00 0.00 C ATOM 699 CD GLU A 52 -5.584 13.478 1.010 1.00 0.00 C ATOM 700 OE1 GLU A 52 -5.700 13.948 2.163 1.00 0.00 O ATOM 701 OE2 GLU A 52 -4.693 12.683 0.643 1.00 0.00 O ATOM 0 H GLU A 52 -7.153 13.028 2.574 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.795 13.263 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.681 14.403 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.018 14.966 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.664 13.106 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.285 14.794 -0.521 1.00 0.00 H new ATOM 708 N ARG A 53 -9.048 10.513 1.136 1.00 0.00 N ATOM 709 CA ARG A 53 -9.138 9.140 0.661 1.00 0.00 C ATOM 710 C ARG A 53 -7.850 8.490 0.173 1.00 0.00 C ATOM 711 O ARG A 53 -7.673 7.279 0.264 1.00 0.00 O ATOM 712 CB ARG A 53 -10.200 9.043 -0.431 1.00 0.00 C ATOM 713 CG ARG A 53 -11.036 7.817 -0.112 1.00 0.00 C ATOM 714 CD ARG A 53 -12.258 8.236 0.726 1.00 0.00 C ATOM 715 NE ARG A 53 -11.912 9.051 1.901 1.00 0.00 N ATOM 716 CZ ARG A 53 -11.523 8.586 3.096 1.00 0.00 C ATOM 717 NH1 ARG A 53 -11.511 7.278 3.355 1.00 0.00 N ATOM 718 NH2 ARG A 53 -11.112 9.445 4.029 1.00 0.00 N ATOM 0 H ARG A 53 -9.207 10.558 2.142 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.404 8.571 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.819 9.940 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.738 8.952 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.361 7.335 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.438 7.088 0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.947 8.797 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.786 7.342 1.057 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.974 10.064 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.801 6.613 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.212 6.942 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.096 10.445 3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.814 9.102 4.942 1.00 0.00 H new ATOM 732 N LYS A 54 -7.001 9.327 -0.394 1.00 0.00 N ATOM 733 CA LYS A 54 -5.739 9.002 -1.046 1.00 0.00 C ATOM 734 C LYS A 54 -6.021 8.388 -2.420 1.00 0.00 C ATOM 735 O LYS A 54 -5.295 7.521 -2.893 1.00 0.00 O ATOM 736 CB LYS A 54 -4.803 8.258 -0.098 1.00 0.00 C ATOM 737 CG LYS A 54 -4.576 9.153 1.135 1.00 0.00 C ATOM 738 CD LYS A 54 -3.154 9.040 1.692 1.00 0.00 C ATOM 739 CE LYS A 54 -2.985 9.904 2.948 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.999 11.345 2.636 1.00 0.00 N ATOM 0 H LYS A 54 -7.187 10.330 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.154 9.893 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.238 7.303 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.856 8.038 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.776 10.191 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.289 8.881 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.935 7.999 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.436 9.351 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.785 9.678 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.046 9.649 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.019 11.892 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.145 11.591 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.843 11.570 2.072 1.00 0.00 H new ATOM 754 N ALA A 55 -7.069 8.924 -3.065 1.00 0.00 N ATOM 755 CA ALA A 55 -7.682 8.525 -4.330 1.00 0.00 C ATOM 756 C ALA A 55 -6.819 7.672 -5.262 1.00 0.00 C ATOM 757 O ALA A 55 -7.185 6.537 -5.567 1.00 0.00 O ATOM 758 CB ALA A 55 -8.211 9.769 -5.050 1.00 0.00 C ATOM 0 H ALA A 55 -7.553 9.729 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.495 7.852 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.669 9.475 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.954 10.263 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.387 10.455 -5.244 1.00 0.00 H new ATOM 764 N MET A 56 -5.707 8.227 -5.755 1.00 0.00 N ATOM 765 CA MET A 56 -4.806 7.525 -6.660 1.00 0.00 C ATOM 766 C MET A 56 -4.404 6.181 -6.050 1.00 0.00 C ATOM 767 O MET A 56 -4.575 5.125 -6.660 1.00 0.00 O ATOM 768 CB MET A 56 -3.586 8.417 -6.942 1.00 0.00 C ATOM 769 CG MET A 56 -2.536 7.734 -7.832 1.00 0.00 C ATOM 770 SD MET A 56 -3.118 7.071 -9.417 1.00 0.00 S ATOM 771 CE MET A 56 -3.623 8.595 -10.245 1.00 0.00 C ATOM 0 H MET A 56 -5.410 9.178 -5.534 1.00 0.00 H new ATOM 0 HA MET A 56 -5.302 7.317 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.919 9.337 -7.423 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.124 8.701 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.742 8.453 -8.035 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.089 6.917 -7.265 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.974 8.364 -11.251 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.427 9.067 -9.680 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.774 9.275 -10.305 1.00 0.00 H new ATOM 781 N MET A 57 -3.882 6.234 -4.825 1.00 0.00 N ATOM 782 CA MET A 57 -3.494 5.053 -4.088 1.00 0.00 C ATOM 783 C MET A 57 -4.727 4.184 -3.872 1.00 0.00 C ATOM 784 O MET A 57 -4.655 2.992 -4.151 1.00 0.00 O ATOM 785 CB MET A 57 -2.814 5.444 -2.772 1.00 0.00 C ATOM 786 CG MET A 57 -2.527 4.203 -1.918 1.00 0.00 C ATOM 787 SD MET A 57 -1.457 4.504 -0.497 1.00 0.00 S ATOM 788 CE MET A 57 -2.134 6.022 0.191 1.00 0.00 C ATOM 0 H MET A 57 -3.719 7.106 -4.322 1.00 0.00 H new ATOM 0 HA MET A 57 -2.764 4.474 -4.654 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.883 5.971 -2.981 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.452 6.133 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.473 3.794 -1.564 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.067 3.442 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.693 6.205 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.904 6.856 -0.472 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.215 5.925 0.292 1.00 0.00 H new ATOM 798 N THR A 58 -5.840 4.765 -3.401 1.00 0.00 N ATOM 799 CA THR A 58 -7.081 4.043 -3.153 1.00 0.00 C ATOM 800 C THR A 58 -7.419 3.138 -4.342 1.00 0.00 C ATOM 801 O THR A 58 -7.503 1.921 -4.201 1.00 0.00 O ATOM 802 CB THR A 58 -8.223 5.037 -2.871 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.738 6.176 -2.197 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.348 4.432 -2.037 1.00 0.00 C ATOM 0 H THR A 58 -5.897 5.760 -3.182 1.00 0.00 H new ATOM 0 HA THR A 58 -6.954 3.410 -2.275 1.00 0.00 H new ATOM 0 HB THR A 58 -8.627 5.308 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.981 6.123 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.122 5.181 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.775 3.579 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.952 4.102 -1.076 1.00 0.00 H new ATOM 812 N ASN A 59 -7.573 3.720 -5.534 1.00 0.00 N ATOM 813 CA ASN A 59 -7.934 2.941 -6.710 1.00 0.00 C ATOM 814 C ASN A 59 -6.811 1.989 -7.108 1.00 0.00 C ATOM 815 O ASN A 59 -7.096 0.856 -7.491 1.00 0.00 O ATOM 816 CB ASN A 59 -8.311 3.850 -7.884 1.00 0.00 C ATOM 817 CG ASN A 59 -9.132 3.151 -8.978 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.828 3.827 -9.726 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.111 1.822 -9.109 1.00 0.00 N ATOM 0 H ASN A 59 -7.454 4.718 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.808 2.344 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.879 4.699 -7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.399 4.250 -8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.674 1.372 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.532 1.257 -8.487 1.00 0.00 H new ATOM 826 N ALA A 60 -5.550 2.431 -7.041 1.00 0.00 N ATOM 827 CA ALA A 60 -4.429 1.599 -7.456 1.00 0.00 C ATOM 828 C ALA A 60 -4.403 0.305 -6.648 1.00 0.00 C ATOM 829 O ALA A 60 -4.301 -0.785 -7.206 1.00 0.00 O ATOM 830 CB ALA A 60 -3.112 2.368 -7.312 1.00 0.00 C ATOM 0 H ALA A 60 -5.287 3.357 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.553 1.338 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.284 1.733 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.142 3.261 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.972 2.658 -6.271 1.00 0.00 H new ATOM 836 N VAL A 61 -4.519 0.429 -5.328 1.00 0.00 N ATOM 837 CA VAL A 61 -4.475 -0.713 -4.438 1.00 0.00 C ATOM 838 C VAL A 61 -5.801 -1.483 -4.438 1.00 0.00 C ATOM 839 O VAL A 61 -5.788 -2.699 -4.271 1.00 0.00 O ATOM 840 CB VAL A 61 -4.000 -0.259 -3.051 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.092 0.436 -2.240 1.00 0.00 C ATOM 842 CG2 VAL A 61 -3.484 -1.461 -2.266 1.00 0.00 C ATOM 0 H VAL A 61 -4.645 1.323 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.745 -1.438 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.206 0.469 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.692 0.732 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.436 1.320 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.928 -0.248 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.147 -1.135 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.284 -2.192 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.651 -1.915 -2.802 1.00 0.00 H new ATOM 852 N LYS A 62 -6.942 -0.813 -4.658 1.00 0.00 N ATOM 853 CA LYS A 62 -8.259 -1.449 -4.698 1.00 0.00 C ATOM 854 C LYS A 62 -8.313 -2.649 -5.644 1.00 0.00 C ATOM 855 O LYS A 62 -9.132 -3.545 -5.454 1.00 0.00 O ATOM 856 CB LYS A 62 -9.330 -0.403 -5.040 1.00 0.00 C ATOM 857 CG LYS A 62 -10.734 -1.000 -5.185 1.00 0.00 C ATOM 858 CD LYS A 62 -11.793 0.099 -5.038 1.00 0.00 C ATOM 859 CE LYS A 62 -13.201 -0.502 -5.087 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.229 0.528 -4.852 1.00 0.00 N ATOM 0 H LYS A 62 -6.972 0.195 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.463 -1.852 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.345 0.360 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.057 0.096 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.833 -1.483 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.890 -1.769 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.649 0.627 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.677 0.833 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.366 -0.969 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.291 -1.287 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.172 0.092 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.084 0.956 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.157 1.264 -5.584 1.00 0.00 H new ATOM 874 N LYS A 63 -7.457 -2.688 -6.665 1.00 0.00 N ATOM 875 CA LYS A 63 -7.403 -3.775 -7.599 1.00 0.00 C ATOM 876 C LYS A 63 -7.029 -5.105 -6.916 1.00 0.00 C ATOM 877 O LYS A 63 -7.331 -6.173 -7.443 1.00 0.00 O ATOM 878 CB LYS A 63 -6.401 -3.364 -8.676 1.00 0.00 C ATOM 879 CG LYS A 63 -6.667 -1.988 -9.317 1.00 0.00 C ATOM 880 CD LYS A 63 -8.140 -1.692 -9.646 1.00 0.00 C ATOM 881 CE LYS A 63 -8.678 -2.635 -10.729 1.00 0.00 C ATOM 882 NZ LYS A 63 -10.074 -2.315 -11.072 1.00 0.00 N ATOM 0 H LYS A 63 -6.780 -1.949 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.382 -3.961 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.402 -3.359 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.402 -4.121 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.299 -1.214 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.084 -1.914 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.742 -1.793 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.238 -0.659 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.056 -2.560 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.614 -3.666 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.410 -2.970 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.670 -2.410 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.129 -1.339 -11.427 1.00 0.00 H new ATOM 896 N ALA A 64 -6.359 -5.051 -5.758 1.00 0.00 N ATOM 897 CA ALA A 64 -5.971 -6.214 -4.973 1.00 0.00 C ATOM 898 C ALA A 64 -7.213 -6.888 -4.374 1.00 0.00 C ATOM 899 O ALA A 64 -7.883 -6.302 -3.530 1.00 0.00 O ATOM 900 CB ALA A 64 -5.014 -5.753 -3.870 1.00 0.00 C ATOM 0 H ALA A 64 -6.067 -4.170 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.471 -6.947 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.711 -6.611 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.133 -5.296 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.516 -5.024 -3.234 1.00 0.00 H new ATOM 906 N SER A 65 -7.495 -8.132 -4.772 1.00 0.00 N ATOM 907 CA SER A 65 -8.689 -8.865 -4.377 1.00 0.00 C ATOM 908 C SER A 65 -8.705 -9.285 -2.904 1.00 0.00 C ATOM 909 O SER A 65 -9.520 -8.801 -2.123 1.00 0.00 O ATOM 910 CB SER A 65 -8.889 -10.050 -5.341 1.00 0.00 C ATOM 911 OG SER A 65 -8.051 -9.907 -6.480 1.00 0.00 O ATOM 0 H SER A 65 -6.883 -8.664 -5.391 1.00 0.00 H new ATOM 0 HA SER A 65 -9.540 -8.189 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.662 -10.986 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.932 -10.102 -5.653 1.00 0.00 H new ATOM 0 HG SER A 65 -8.187 -10.667 -7.083 1.00 0.00 H new ATOM 917 N ASP A 66 -7.827 -10.219 -2.537 1.00 0.00 N ATOM 918 CA ASP A 66 -7.749 -10.775 -1.185 1.00 0.00 C ATOM 919 C ASP A 66 -6.373 -11.391 -0.944 1.00 0.00 C ATOM 920 O ASP A 66 -5.650 -10.963 -0.043 1.00 0.00 O ATOM 921 CB ASP A 66 -8.876 -11.794 -0.965 1.00 0.00 C ATOM 922 CG ASP A 66 -8.695 -12.549 0.347 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.671 -11.874 1.398 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.551 -13.789 0.273 1.00 0.00 O ATOM 0 H ASP A 66 -7.141 -10.616 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.882 -9.973 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.837 -11.280 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.896 -12.502 -1.794 1.00 0.00 H new ATOM 929 N GLU A 67 -6.002 -12.390 -1.754 1.00 0.00 N ATOM 930 CA GLU A 67 -4.693 -13.003 -1.750 1.00 0.00 C ATOM 931 C GLU A 67 -3.656 -11.884 -1.798 1.00 0.00 C ATOM 932 O GLU A 67 -2.709 -11.817 -1.019 1.00 0.00 O ATOM 933 CB GLU A 67 -4.575 -13.871 -3.012 1.00 0.00 C ATOM 934 CG GLU A 67 -5.776 -14.777 -3.331 1.00 0.00 C ATOM 935 CD GLU A 67 -6.744 -14.127 -4.316 1.00 0.00 C ATOM 936 OE1 GLU A 67 -7.646 -13.415 -3.825 1.00 0.00 O ATOM 937 OE2 GLU A 67 -6.542 -14.323 -5.534 1.00 0.00 O ATOM 0 H GLU A 67 -6.632 -12.797 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.538 -13.617 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.407 -13.213 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.689 -14.499 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.418 -15.720 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.305 -15.015 -2.408 1.00 0.00 H new ATOM 944 N GLU A 68 -3.925 -10.989 -2.744 1.00 0.00 N ATOM 945 CA GLU A 68 -3.248 -9.779 -3.061 1.00 0.00 C ATOM 946 C GLU A 68 -3.127 -8.909 -1.817 1.00 0.00 C ATOM 947 O GLU A 68 -2.021 -8.535 -1.454 1.00 0.00 O ATOM 948 CB GLU A 68 -4.123 -9.142 -4.132 1.00 0.00 C ATOM 949 CG GLU A 68 -4.139 -9.982 -5.421 1.00 0.00 C ATOM 950 CD GLU A 68 -5.290 -10.968 -5.554 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.041 -11.117 -4.564 1.00 0.00 O ATOM 952 OE2 GLU A 68 -5.360 -11.575 -6.647 1.00 0.00 O ATOM 0 H GLU A 68 -4.720 -11.131 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.227 -9.925 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.140 -9.033 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.756 -8.140 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.166 -9.304 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.202 -10.536 -5.483 1.00 0.00 H new ATOM 959 N LEU A 69 -4.251 -8.597 -1.162 1.00 0.00 N ATOM 960 CA LEU A 69 -4.237 -7.748 0.020 1.00 0.00 C ATOM 961 C LEU A 69 -3.246 -8.286 1.059 1.00 0.00 C ATOM 962 O LEU A 69 -2.315 -7.589 1.473 1.00 0.00 O ATOM 963 CB LEU A 69 -5.646 -7.612 0.643 1.00 0.00 C ATOM 964 CG LEU A 69 -6.738 -6.967 -0.233 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.072 -6.973 0.521 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.453 -5.504 -0.578 1.00 0.00 C ATOM 0 H LEU A 69 -5.178 -8.923 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.915 -6.755 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.986 -8.606 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.557 -7.027 1.559 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.765 -7.554 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.843 -6.517 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.354 -8.000 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.969 -6.407 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.261 -5.112 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.383 -4.921 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.512 -5.436 -1.124 1.00 0.00 H new ATOM 978 N LYS A 70 -3.427 -9.549 1.457 1.00 0.00 N ATOM 979 CA LYS A 70 -2.564 -10.170 2.454 1.00 0.00 C ATOM 980 C LYS A 70 -1.106 -10.135 1.994 1.00 0.00 C ATOM 981 O LYS A 70 -0.223 -9.652 2.703 1.00 0.00 O ATOM 982 CB LYS A 70 -3.019 -11.610 2.717 1.00 0.00 C ATOM 983 CG LYS A 70 -4.369 -11.636 3.444 1.00 0.00 C ATOM 984 CD LYS A 70 -4.802 -13.060 3.823 1.00 0.00 C ATOM 985 CE LYS A 70 -4.962 -13.996 2.619 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.882 -13.439 1.614 1.00 0.00 N ATOM 0 H LYS A 70 -4.164 -10.157 1.101 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.638 -9.608 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.100 -12.148 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.270 -12.128 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.305 -11.026 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.130 -11.185 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.067 -13.484 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.748 -13.011 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.988 -14.172 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.335 -14.963 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.058 -14.148 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.781 -13.184 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.458 -12.591 1.187 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.862 -10.626 0.781 1.00 0.00 N ATOM 1001 CA ALA A 71 0.473 -10.706 0.225 1.00 0.00 C ATOM 1002 C ALA A 71 1.135 -9.341 0.054 1.00 0.00 C ATOM 1003 O ALA A 71 2.356 -9.258 0.141 1.00 0.00 O ATOM 1004 CB ALA A 71 0.415 -11.459 -1.105 1.00 0.00 C ATOM 0 H ALA A 71 -1.591 -10.978 0.160 1.00 0.00 H new ATOM 0 HA ALA A 71 1.098 -11.249 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.416 -11.524 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.026 -12.463 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.239 -10.927 -1.796 1.00 0.00 H new ATOM 1010 N LEU A 72 0.374 -8.273 -0.195 1.00 0.00 N ATOM 1011 CA LEU A 72 0.935 -6.951 -0.398 1.00 0.00 C ATOM 1012 C LEU A 72 1.474 -6.482 0.950 1.00 0.00 C ATOM 1013 O LEU A 72 2.602 -5.996 1.040 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.167 -6.091 -1.031 1.00 0.00 C ATOM 1015 CG LEU A 72 0.190 -4.727 -1.639 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.591 -4.663 -2.258 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.856 -4.463 -2.732 1.00 0.00 C ATOM 0 H LEU A 72 -0.643 -8.308 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 72 1.780 -6.902 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.634 -6.686 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.926 -5.919 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 72 0.190 -3.981 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.764 -3.667 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.337 -4.877 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.670 -5.400 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.654 -3.502 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.806 -5.253 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.851 -4.447 -2.287 1.00 0.00 H new ATOM 1029 N ALA A 73 0.691 -6.700 2.010 1.00 0.00 N ATOM 1030 CA ALA A 73 1.127 -6.406 3.362 1.00 0.00 C ATOM 1031 C ALA A 73 2.367 -7.230 3.707 1.00 0.00 C ATOM 1032 O ALA A 73 3.379 -6.673 4.130 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.011 -6.677 4.339 1.00 0.00 C ATOM 0 H ALA A 73 -0.253 -7.082 1.948 1.00 0.00 H new ATOM 0 HA ALA A 73 1.397 -5.353 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.320 -6.455 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.863 -6.045 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.305 -7.725 4.274 1.00 0.00 H new ATOM 1039 N ASP A 74 2.302 -8.555 3.518 1.00 0.00 N ATOM 1040 CA ASP A 74 3.430 -9.440 3.784 1.00 0.00 C ATOM 1041 C ASP A 74 4.679 -8.939 3.055 1.00 0.00 C ATOM 1042 O ASP A 74 5.738 -8.816 3.667 1.00 0.00 O ATOM 1043 CB ASP A 74 3.107 -10.883 3.371 1.00 0.00 C ATOM 1044 CG ASP A 74 1.914 -11.480 4.115 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.766 -11.162 5.315 1.00 0.00 O ATOM 1046 OD2 ASP A 74 1.179 -12.260 3.471 1.00 0.00 O ATOM 0 H ASP A 74 1.469 -9.035 3.178 1.00 0.00 H new ATOM 0 HA ASP A 74 3.624 -9.433 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.907 -10.909 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.983 -11.507 3.547 1.00 0.00 H new ATOM 1051 N TYR A 75 4.549 -8.636 1.759 1.00 0.00 N ATOM 1052 CA TYR A 75 5.631 -8.121 0.934 1.00 0.00 C ATOM 1053 C TYR A 75 6.222 -6.861 1.572 1.00 0.00 C ATOM 1054 O TYR A 75 7.399 -6.842 1.913 1.00 0.00 O ATOM 1055 CB TYR A 75 5.130 -7.870 -0.497 1.00 0.00 C ATOM 1056 CG TYR A 75 6.178 -7.331 -1.452 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.409 -5.945 -1.541 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.936 -8.215 -2.244 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.414 -5.451 -2.388 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.913 -7.713 -3.123 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.154 -6.331 -3.193 1.00 0.00 C ATOM 1062 OH TYR A 75 9.106 -5.848 -4.039 1.00 0.00 O ATOM 0 H TYR A 75 3.671 -8.746 1.251 1.00 0.00 H new ATOM 0 HA TYR A 75 6.430 -8.860 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.738 -8.804 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.298 -7.167 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.812 -5.260 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.767 -9.280 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.618 -4.391 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.479 -8.391 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 75 9.524 -6.592 -4.521 1.00 0.00 H new ATOM 1072 N MET A 76 5.410 -5.816 1.763 1.00 0.00 N ATOM 1073 CA MET A 76 5.870 -4.562 2.360 1.00 0.00 C ATOM 1074 C MET A 76 6.440 -4.768 3.771 1.00 0.00 C ATOM 1075 O MET A 76 7.270 -3.979 4.224 1.00 0.00 O ATOM 1076 CB MET A 76 4.724 -3.541 2.351 1.00 0.00 C ATOM 1077 CG MET A 76 4.452 -3.005 0.940 1.00 0.00 C ATOM 1078 SD MET A 76 3.101 -1.809 0.775 1.00 0.00 S ATOM 1079 CE MET A 76 1.687 -2.796 1.308 1.00 0.00 C ATOM 0 H MET A 76 4.422 -5.817 1.509 1.00 0.00 H new ATOM 0 HA MET A 76 6.692 -4.174 1.759 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.820 -4.006 2.744 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.970 -2.712 3.014 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.366 -2.540 0.570 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.239 -3.852 0.289 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.764 -2.264 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.694 -3.753 0.787 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.748 -2.968 2.383 1.00 0.00 H new ATOM 1089 N SER A 77 6.005 -5.820 4.470 1.00 0.00 N ATOM 1090 CA SER A 77 6.516 -6.159 5.790 1.00 0.00 C ATOM 1091 C SER A 77 7.872 -6.871 5.726 1.00 0.00 C ATOM 1092 O SER A 77 8.399 -7.220 6.782 1.00 0.00 O ATOM 1093 CB SER A 77 5.512 -7.038 6.539 1.00 0.00 C ATOM 1094 OG SER A 77 5.850 -7.090 7.915 1.00 0.00 O ATOM 0 H SER A 77 5.286 -6.459 4.130 1.00 0.00 H new ATOM 0 HA SER A 77 6.659 -5.220 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.505 -6.639 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.510 -8.043 6.118 1.00 0.00 H new ATOM 0 HG SER A 77 6.822 -7.169 8.010 1.00 0.00 H new ATOM 1100 N LYS A 78 8.403 -7.143 4.529 1.00 0.00 N ATOM 1101 CA LYS A 78 9.658 -7.839 4.305 1.00 0.00 C ATOM 1102 C LYS A 78 10.297 -7.163 3.095 1.00 0.00 C ATOM 1103 O LYS A 78 10.587 -7.802 2.084 1.00 0.00 O ATOM 1104 CB LYS A 78 9.366 -9.321 4.031 1.00 0.00 C ATOM 1105 CG LYS A 78 8.723 -10.025 5.234 1.00 0.00 C ATOM 1106 CD LYS A 78 8.601 -11.540 5.026 1.00 0.00 C ATOM 1107 CE LYS A 78 7.636 -11.883 3.884 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.408 -13.335 3.792 1.00 0.00 N ATOM 0 H LYS A 78 7.945 -6.870 3.659 1.00 0.00 H new ATOM 0 HA LYS A 78 10.327 -7.793 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.704 -9.404 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.295 -9.829 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.318 -9.830 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.733 -9.604 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.584 -11.957 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.254 -12.007 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.686 -11.373 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.041 -11.516 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.751 -13.534 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.312 -13.818 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.999 -13.679 4.684 1.00 0.00 H new ATOM 1122 N LEU A 79 10.476 -5.849 3.202 1.00 0.00 N ATOM 1123 CA LEU A 79 10.919 -4.968 2.163 1.00 0.00 C ATOM 1124 C LEU A 79 11.758 -3.899 2.860 1.00 0.00 C ATOM 1125 O LEU A 79 11.515 -3.704 4.075 1.00 0.00 O ATOM 1126 CB LEU A 79 9.624 -4.417 1.564 1.00 0.00 C ATOM 1127 CG LEU A 79 9.835 -3.391 0.471 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.467 -4.048 -0.761 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.487 -2.757 0.122 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.626 -3.305 2.187 1.00 0.00 O ATOM 0 H LEU A 79 10.300 -5.356 4.077 1.00 0.00 H new ATOM 0 HA LEU A 79 11.525 -5.413 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.041 -5.246 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.031 -3.967 2.360 1.00 0.00 H new ATOM 0 HG LEU A 79 10.517 -2.615 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.613 -3.298 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.430 -4.481 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.809 -4.833 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.626 -2.016 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.801 -3.529 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.072 -2.274 1.007 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.877 4.369 -0.684 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.406 5.110 2.611 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.502 1.057 0.156 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.660 3.579 -3.983 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.955 7.704 -1.414 1.00 10.53 C HETATM 1148 NA HEC A 80 0.957 3.299 1.025 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.197 3.779 2.293 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.078 2.726 3.271 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.743 1.601 2.596 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.727 1.949 1.192 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.407 0.244 3.148 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.203 2.942 4.755 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.004 3.703 5.336 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.305 4.403 6.658 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.455 4.760 6.889 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.627 4.604 7.431 1.00 17.21 O HETATM 1159 NB HEC A 80 0.634 2.665 -1.710 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.498 1.391 -1.193 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.386 0.429 -2.253 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.433 1.116 -3.428 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.569 2.521 -3.082 1.00 4.49 C HETATM 1164 CMB HEC A 80 0.301 -1.056 -2.019 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.419 0.548 -4.831 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.859 -0.211 -5.205 1.00 6.48 C HETATM 1167 NC HEC A 80 0.844 5.423 -2.353 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.764 4.926 -3.641 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.900 5.999 -4.595 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.170 7.127 -3.881 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.988 6.794 -2.479 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.857 5.811 -6.091 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.631 8.467 -4.402 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.505 9.325 -4.988 1.00 10.94 C HETATM 1175 ND HEC A 80 0.960 6.061 0.403 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.904 7.356 -0.062 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.705 8.266 1.059 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.735 7.513 2.199 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.079 6.170 1.776 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.409 9.738 0.922 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.345 7.933 3.610 1.00 9.04 C HETATM 1182 CBD HEC A 80 1.078 7.315 4.813 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.873 8.137 6.076 1.00 6.46 C HETATM 1184 O1D HEC A 80 0.026 7.762 6.882 1.00 8.25 O HETATM 1185 O2D HEC A 80 1.584 9.126 6.240 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.225 10.225 0.389 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.519 9.872 0.366 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.306 10.182 1.912 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.660 5.140 -6.397 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.103 5.381 -6.376 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.983 6.776 -6.583 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 1.196 -1.394 -1.497 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -0.578 -1.279 -1.414 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 0.223 -1.571 -2.976 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.255 -0.138 3.716 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.462 0.322 3.802 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 0.184 -0.438 2.327 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.718 6.299 4.977 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.143 7.244 4.593 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.041 8.797 -5.821 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.243 9.518 -4.219 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.915 10.271 -5.341 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -0.995 -1.052 -4.525 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.715 0.459 -5.129 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.777 -0.581 -6.227 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.331 4.444 4.610 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.821 3.006 5.484 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.466 9.014 3.674 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.718 7.723 3.732 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.294 1.977 5.254 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.118 3.497 4.963 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.970 8.766 -1.659 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.649 3.333 -5.045 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.314 0.016 0.419 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.855 5.340 3.577 1.00 5.52 H new