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 93:sc= 0.888 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 173:sc= 0.721 (180deg=-0.154) USER MOD Set 1.3: A 57 MET CE :methyl 173:sc= -0.797 (180deg=-1.3) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.0124 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -176:sc= 0.0122 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -178:sc= 1.24 (180deg=1.24) USER MOD Single : A 7 TYR OH : rot -167:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc=-0.00899 (180deg=-0.0634) USER MOD Single : A 9 SER OG : rot 80:sc= 0.909 USER MOD Single : A 19 SER OG : rot -33:sc= 0.264 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= 0.0667 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0.911 (180deg=0.261) USER MOD Single : A 32 GLN : amide:sc= 2.1 K(o=2.1,f=-0.092) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0276) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.802) USER MOD Single : A 41 MET CE :methyl 144:sc= -1.07 (180deg=-5!) USER MOD Single : A 48 SER OG : rot -69:sc= 1.34 USER MOD Single : A 49 TYR OH : rot 145:sc= 1.18 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 59 ASN : amide:sc= 0.114 X(o=0.11,f=-0.07) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc=-0.00862 (180deg=-0.0719) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.333 (180deg=0.261) USER MOD Single : A 75 TYR OH : rot -169:sc= 0.732 USER MOD Single : A 76 MET CE :methyl 158:sc=-0.00639 (180deg=-0.074) USER MOD Single : A 77 SER OG : rot -46:sc= 0.811 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0.505 (180deg=0.457) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.049 -14.518 -0.713 1.00 0.00 N ATOM 2 CA ALA A 1 4.298 -14.532 -2.167 1.00 0.00 C ATOM 3 C ALA A 1 3.456 -13.441 -2.824 1.00 0.00 C ATOM 4 O ALA A 1 2.642 -12.846 -2.121 1.00 0.00 O ATOM 5 CB ALA A 1 3.982 -15.909 -2.761 1.00 0.00 C ATOM 0 H1 ALA A 1 4.644 -15.236 -0.252 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.280 -13.579 -0.330 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.047 -14.730 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 1 5.353 -14.333 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.173 -15.895 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.613 -16.662 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.934 -16.151 -2.582 1.00 0.00 H new ATOM 13 N ASP A 2 3.619 -13.204 -4.132 1.00 0.00 N ATOM 14 CA ASP A 2 2.897 -12.159 -4.855 1.00 0.00 C ATOM 15 C ASP A 2 3.232 -10.793 -4.236 1.00 0.00 C ATOM 16 O ASP A 2 4.352 -10.598 -3.764 1.00 0.00 O ATOM 17 CB ASP A 2 1.402 -12.526 -4.952 1.00 0.00 C ATOM 18 CG ASP A 2 0.670 -11.726 -6.024 1.00 0.00 C ATOM 19 OD1 ASP A 2 0.758 -12.132 -7.202 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.077 -10.694 -5.642 1.00 0.00 O ATOM 0 H ASP A 2 4.261 -13.738 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 2 3.217 -12.079 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.306 -13.590 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.926 -12.354 -3.987 1.00 0.00 H new ATOM 25 N GLY A 3 2.319 -9.824 -4.276 1.00 0.00 N ATOM 26 CA GLY A 3 2.521 -8.499 -3.714 1.00 0.00 C ATOM 27 C GLY A 3 3.318 -7.642 -4.688 1.00 0.00 C ATOM 28 O GLY A 3 2.815 -6.648 -5.205 1.00 0.00 O ATOM 0 H GLY A 3 1.403 -9.945 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.559 -8.031 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.050 -8.574 -2.764 1.00 0.00 H new ATOM 32 N ALA A 4 4.550 -8.068 -4.969 1.00 0.00 N ATOM 33 CA ALA A 4 5.488 -7.384 -5.853 1.00 0.00 C ATOM 34 C ALA A 4 4.837 -6.978 -7.180 1.00 0.00 C ATOM 35 O ALA A 4 4.967 -5.836 -7.615 1.00 0.00 O ATOM 36 CB ALA A 4 6.709 -8.275 -6.092 1.00 0.00 C ATOM 0 H ALA A 4 4.933 -8.927 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 4 5.804 -6.462 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.409 -7.763 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.197 -8.487 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.392 -9.210 -6.554 1.00 0.00 H new ATOM 42 N ALA A 5 4.126 -7.916 -7.813 1.00 0.00 N ATOM 43 CA ALA A 5 3.451 -7.690 -9.086 1.00 0.00 C ATOM 44 C ALA A 5 2.568 -6.440 -9.039 1.00 0.00 C ATOM 45 O ALA A 5 2.629 -5.605 -9.936 1.00 0.00 O ATOM 46 CB ALA A 5 2.638 -8.932 -9.462 1.00 0.00 C ATOM 0 H ALA A 5 4.004 -8.861 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 5 4.204 -7.515 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.134 -8.763 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.305 -9.790 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.896 -9.129 -8.688 1.00 0.00 H new ATOM 52 N LEU A 6 1.748 -6.301 -7.997 1.00 0.00 N ATOM 53 CA LEU A 6 0.894 -5.166 -7.793 1.00 0.00 C ATOM 54 C LEU A 6 1.735 -3.948 -7.413 1.00 0.00 C ATOM 55 O LEU A 6 1.476 -2.842 -7.888 1.00 0.00 O ATOM 56 CB LEU A 6 -0.047 -5.545 -6.657 1.00 0.00 C ATOM 57 CG LEU A 6 -1.240 -6.387 -7.120 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.879 -7.830 -7.488 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.272 -6.414 -5.994 1.00 0.00 C ATOM 0 H LEU A 6 1.669 -7.002 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 6 0.336 -4.909 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.510 -6.099 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.415 -4.637 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.625 -5.922 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.777 -8.360 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.153 -7.827 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.450 -8.330 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.132 -7.009 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.826 -6.855 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.596 -5.397 -5.773 1.00 0.00 H new ATOM 71 N TYR A 7 2.740 -4.163 -6.554 1.00 0.00 N ATOM 72 CA TYR A 7 3.654 -3.140 -6.057 1.00 0.00 C ATOM 73 C TYR A 7 4.254 -2.300 -7.180 1.00 0.00 C ATOM 74 O TYR A 7 4.540 -1.120 -6.985 1.00 0.00 O ATOM 75 CB TYR A 7 4.747 -3.764 -5.192 1.00 0.00 C ATOM 76 CG TYR A 7 5.376 -2.784 -4.222 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.595 -2.197 -3.209 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.704 -2.363 -4.409 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.116 -1.148 -2.433 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.231 -1.335 -3.611 1.00 0.00 C ATOM 81 CZ TYR A 7 6.427 -0.700 -2.653 1.00 0.00 C ATOM 82 OH TYR A 7 6.901 0.375 -1.970 1.00 0.00 O ATOM 0 H TYR A 7 2.942 -5.089 -6.176 1.00 0.00 H new ATOM 0 HA TYR A 7 3.068 -2.461 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.325 -4.599 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.523 -4.173 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.592 -2.554 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.318 -2.829 -5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.508 -0.687 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.260 -1.032 -3.735 1.00 0.00 H new ATOM 0 HH TYR A 7 7.736 0.682 -2.382 1.00 0.00 H new ATOM 92 N LYS A 8 4.422 -2.908 -8.356 1.00 0.00 N ATOM 93 CA LYS A 8 4.843 -2.220 -9.580 1.00 0.00 C ATOM 94 C LYS A 8 4.056 -0.913 -9.820 1.00 0.00 C ATOM 95 O LYS A 8 4.553 -0.007 -10.482 1.00 0.00 O ATOM 96 CB LYS A 8 4.679 -3.130 -10.804 1.00 0.00 C ATOM 97 CG LYS A 8 5.521 -4.410 -10.720 1.00 0.00 C ATOM 98 CD LYS A 8 5.388 -5.281 -11.978 1.00 0.00 C ATOM 99 CE LYS A 8 5.838 -4.597 -13.276 1.00 0.00 C ATOM 100 NZ LYS A 8 7.208 -4.063 -13.176 1.00 0.00 N ATOM 0 H LYS A 8 4.267 -3.908 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 8 5.895 -1.968 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.628 -3.400 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.958 -2.577 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.568 -4.144 -10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.214 -4.987 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.974 -6.190 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.347 -5.586 -12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.787 -5.311 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.150 -3.786 -13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.508 -3.701 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.230 -3.291 -12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.854 -4.820 -12.874 1.00 0.00 H new ATOM 114 N SER A 9 2.828 -0.818 -9.303 1.00 0.00 N ATOM 115 CA SER A 9 1.963 0.350 -9.417 1.00 0.00 C ATOM 116 C SER A 9 2.257 1.404 -8.337 1.00 0.00 C ATOM 117 O SER A 9 1.927 2.574 -8.507 1.00 0.00 O ATOM 118 CB SER A 9 0.504 -0.106 -9.280 1.00 0.00 C ATOM 119 OG SER A 9 0.289 -1.347 -9.926 1.00 0.00 O ATOM 0 H SER A 9 2.398 -1.579 -8.777 1.00 0.00 H new ATOM 0 HA SER A 9 2.148 0.810 -10.387 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.246 -0.194 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.156 0.648 -9.708 1.00 0.00 H new ATOM 0 HG SER A 9 0.601 -2.075 -9.349 1.00 0.00 H new ATOM 125 N CYS A 10 2.809 0.970 -7.201 1.00 0.00 N ATOM 126 CA CYS A 10 3.087 1.775 -6.015 1.00 0.00 C ATOM 127 C CYS A 10 4.494 2.365 -6.070 1.00 0.00 C ATOM 128 O CYS A 10 4.729 3.474 -5.571 1.00 0.00 O ATOM 129 CB CYS A 10 2.928 0.919 -4.751 1.00 0.00 C ATOM 130 SG CYS A 10 1.603 -0.321 -4.745 1.00 0.00 S ATOM 0 H CYS A 10 3.088 -0.004 -7.080 1.00 0.00 H new ATOM 0 HA CYS A 10 2.372 2.598 -5.987 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.872 0.404 -4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.765 1.590 -3.908 1.00 0.00 H new ATOM 135 N ILE A 11 5.448 1.606 -6.632 1.00 0.00 N ATOM 136 CA ILE A 11 6.794 2.128 -6.830 1.00 0.00 C ATOM 137 C ILE A 11 6.672 3.447 -7.586 1.00 0.00 C ATOM 138 O ILE A 11 5.804 3.608 -8.441 1.00 0.00 O ATOM 139 CB ILE A 11 7.743 1.146 -7.537 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.248 0.745 -8.932 1.00 0.00 C ATOM 141 CG2 ILE A 11 7.949 -0.083 -6.653 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.228 -0.160 -9.684 1.00 0.00 C ATOM 0 H ILE A 11 5.309 0.647 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 11 7.254 2.285 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 11 8.696 1.652 -7.689 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.291 0.233 -8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.071 1.645 -9.520 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.621 -0.781 -7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.383 0.222 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.989 -0.568 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.817 -0.407 -10.663 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.179 0.358 -9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.386 -1.077 -9.116 1.00 0.00 H new ATOM 154 N GLY A 12 7.519 4.404 -7.226 1.00 0.00 N ATOM 155 CA GLY A 12 7.416 5.754 -7.732 1.00 0.00 C ATOM 156 C GLY A 12 6.958 6.638 -6.582 1.00 0.00 C ATOM 157 O GLY A 12 7.578 7.677 -6.365 1.00 0.00 O ATOM 0 H GLY A 12 8.292 4.260 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.377 6.094 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.707 5.801 -8.558 1.00 0.00 H new ATOM 161 N CYS A 13 5.929 6.236 -5.808 1.00 0.00 N ATOM 162 CA CYS A 13 5.524 7.070 -4.687 1.00 0.00 C ATOM 163 C CYS A 13 6.336 6.649 -3.473 1.00 0.00 C ATOM 164 O CYS A 13 7.034 7.462 -2.880 1.00 0.00 O ATOM 165 CB CYS A 13 4.014 7.019 -4.447 1.00 0.00 C ATOM 166 SG CYS A 13 3.460 8.499 -3.581 1.00 0.00 S ATOM 0 H CYS A 13 5.393 5.378 -5.938 1.00 0.00 H new ATOM 0 HA CYS A 13 5.731 8.117 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.492 6.931 -5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.763 6.134 -3.863 1.00 0.00 H new ATOM 171 N HIS A 14 6.300 5.352 -3.161 1.00 0.00 N ATOM 172 CA HIS A 14 6.989 4.765 -2.016 1.00 0.00 C ATOM 173 C HIS A 14 8.376 4.204 -2.349 1.00 0.00 C ATOM 174 O HIS A 14 9.171 3.938 -1.447 1.00 0.00 O ATOM 175 CB HIS A 14 6.114 3.640 -1.483 1.00 0.00 C ATOM 176 CG HIS A 14 4.774 4.099 -0.994 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.624 4.748 0.216 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.518 4.063 -1.546 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.310 4.813 0.454 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.566 4.366 -0.564 1.00 0.00 N ATOM 0 H HIS A 14 5.779 4.668 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 14 7.149 5.556 -1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.970 2.900 -2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.637 3.140 -0.668 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.370 5.107 0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.297 3.836 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.891 5.189 1.376 1.00 0.00 H new ATOM 188 N GLY A 15 8.677 4.036 -3.640 1.00 0.00 N ATOM 189 CA GLY A 15 9.931 3.462 -4.111 1.00 0.00 C ATOM 190 C GLY A 15 9.967 1.939 -3.935 1.00 0.00 C ATOM 191 O GLY A 15 9.179 1.368 -3.182 1.00 0.00 O ATOM 0 H GLY A 15 8.044 4.300 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.070 3.709 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.762 3.910 -3.566 1.00 0.00 H new ATOM 195 N ALA A 16 10.897 1.277 -4.634 1.00 0.00 N ATOM 196 CA ALA A 16 11.070 -0.176 -4.618 1.00 0.00 C ATOM 197 C ALA A 16 11.170 -0.737 -3.197 1.00 0.00 C ATOM 198 O ALA A 16 10.555 -1.755 -2.878 1.00 0.00 O ATOM 199 CB ALA A 16 12.313 -0.547 -5.432 1.00 0.00 C ATOM 0 H ALA A 16 11.566 1.751 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 16 10.184 -0.624 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.445 -1.629 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.190 -0.206 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.190 -0.071 -4.994 1.00 0.00 H new ATOM 205 N ASP A 17 11.948 -0.052 -2.355 1.00 0.00 N ATOM 206 CA ASP A 17 12.178 -0.428 -0.966 1.00 0.00 C ATOM 207 C ASP A 17 11.074 0.060 -0.026 1.00 0.00 C ATOM 208 O ASP A 17 11.138 -0.186 1.175 1.00 0.00 O ATOM 209 CB ASP A 17 13.551 0.087 -0.515 1.00 0.00 C ATOM 210 CG ASP A 17 13.621 1.595 -0.271 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.703 2.315 -0.725 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.605 2.009 0.376 1.00 0.00 O ATOM 0 H ASP A 17 12.444 0.796 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 17 12.160 -1.517 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.834 -0.429 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.290 -0.179 -1.271 1.00 0.00 H new ATOM 217 N GLY A 18 10.104 0.811 -0.549 1.00 0.00 N ATOM 218 CA GLY A 18 8.998 1.343 0.226 1.00 0.00 C ATOM 219 C GLY A 18 9.420 2.366 1.283 1.00 0.00 C ATOM 220 O GLY A 18 8.611 2.707 2.147 1.00 0.00 O ATOM 0 H GLY A 18 10.070 1.066 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.283 1.809 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.481 0.519 0.718 1.00 0.00 H new ATOM 224 N SER A 19 10.659 2.872 1.224 1.00 0.00 N ATOM 225 CA SER A 19 11.198 3.736 2.264 1.00 0.00 C ATOM 226 C SER A 19 11.074 5.232 1.980 1.00 0.00 C ATOM 227 O SER A 19 11.210 6.009 2.925 1.00 0.00 O ATOM 228 CB SER A 19 12.664 3.387 2.540 1.00 0.00 C ATOM 229 OG SER A 19 13.062 3.954 3.774 1.00 0.00 O ATOM 0 H SER A 19 11.306 2.691 0.457 1.00 0.00 H new ATOM 0 HA SER A 19 10.582 3.544 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.792 2.305 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.296 3.763 1.735 1.00 0.00 H new ATOM 0 HG SER A 19 12.585 4.798 3.915 1.00 0.00 H new ATOM 235 N LYS A 20 10.840 5.674 0.738 1.00 0.00 N ATOM 236 CA LYS A 20 10.842 7.111 0.453 1.00 0.00 C ATOM 237 C LYS A 20 9.545 7.813 0.876 1.00 0.00 C ATOM 238 O LYS A 20 9.034 8.631 0.116 1.00 0.00 O ATOM 239 CB LYS A 20 11.195 7.385 -1.023 1.00 0.00 C ATOM 240 CG LYS A 20 10.184 6.832 -2.033 1.00 0.00 C ATOM 241 CD LYS A 20 10.155 7.641 -3.337 1.00 0.00 C ATOM 242 CE LYS A 20 11.504 7.632 -4.064 1.00 0.00 C ATOM 243 NZ LYS A 20 11.418 8.358 -5.343 1.00 0.00 N ATOM 0 H LYS A 20 10.652 5.074 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 20 11.626 7.550 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.282 8.462 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.174 6.954 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.430 5.794 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.190 6.834 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.388 7.234 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.872 8.670 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.265 8.090 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.817 6.604 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.344 8.338 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.708 7.905 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.142 9.345 -5.164 1.00 0.00 H new ATOM 257 N ALA A 21 9.021 7.543 2.081 1.00 0.00 N ATOM 258 CA ALA A 21 7.767 8.146 2.529 1.00 0.00 C ATOM 259 C ALA A 21 6.701 7.871 1.468 1.00 0.00 C ATOM 260 O ALA A 21 6.310 6.724 1.235 1.00 0.00 O ATOM 261 CB ALA A 21 8.014 9.623 2.882 1.00 0.00 C ATOM 0 H ALA A 21 9.449 6.912 2.758 1.00 0.00 H new ATOM 0 HA ALA A 21 7.383 7.707 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.082 10.078 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.756 9.688 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.380 10.151 2.002 1.00 0.00 H new ATOM 267 N ALA A 22 6.272 8.948 0.833 1.00 0.00 N ATOM 268 CA ALA A 22 5.425 9.023 -0.336 1.00 0.00 C ATOM 269 C ALA A 22 5.646 10.432 -0.889 1.00 0.00 C ATOM 270 O ALA A 22 6.642 11.068 -0.538 1.00 0.00 O ATOM 271 CB ALA A 22 3.976 8.703 0.006 1.00 0.00 C ATOM 0 H ALA A 22 6.536 9.878 1.157 1.00 0.00 H new ATOM 0 HA ALA A 22 5.674 8.280 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.366 8.768 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.913 7.694 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.610 9.417 0.744 1.00 0.00 H new ATOM 277 N MET A 23 4.734 10.973 -1.700 1.00 0.00 N ATOM 278 CA MET A 23 4.888 12.326 -2.222 1.00 0.00 C ATOM 279 C MET A 23 4.423 13.323 -1.154 1.00 0.00 C ATOM 280 O MET A 23 3.428 14.027 -1.319 1.00 0.00 O ATOM 281 CB MET A 23 4.162 12.442 -3.567 1.00 0.00 C ATOM 282 CG MET A 23 4.933 11.671 -4.643 1.00 0.00 C ATOM 283 SD MET A 23 4.139 11.663 -6.270 1.00 0.00 S ATOM 284 CE MET A 23 5.246 10.544 -7.155 1.00 0.00 C ATOM 0 H MET A 23 3.887 10.495 -2.006 1.00 0.00 H new ATOM 0 HA MET A 23 5.931 12.564 -2.431 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.150 12.047 -3.479 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.072 13.490 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.929 12.104 -4.740 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.064 10.641 -4.311 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.900 10.427 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.255 10.957 -7.157 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.252 9.572 -6.661 1.00 0.00 H new ATOM 294 N GLY A 24 5.158 13.351 -0.042 1.00 0.00 N ATOM 295 CA GLY A 24 4.921 14.157 1.139 1.00 0.00 C ATOM 296 C GLY A 24 5.506 13.405 2.334 1.00 0.00 C ATOM 297 O GLY A 24 5.887 12.240 2.203 1.00 0.00 O ATOM 0 H GLY A 24 5.990 12.769 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.389 15.136 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.854 14.328 1.279 1.00 0.00 H new ATOM 301 N SER A 25 5.580 14.058 3.497 1.00 0.00 N ATOM 302 CA SER A 25 6.117 13.483 4.723 1.00 0.00 C ATOM 303 C SER A 25 5.165 12.435 5.310 1.00 0.00 C ATOM 304 O SER A 25 4.613 12.624 6.392 1.00 0.00 O ATOM 305 CB SER A 25 6.372 14.619 5.717 1.00 0.00 C ATOM 306 OG SER A 25 7.054 15.673 5.062 1.00 0.00 O ATOM 0 H SER A 25 5.261 15.020 3.610 1.00 0.00 H new ATOM 0 HA SER A 25 7.053 12.968 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.427 14.980 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.963 14.256 6.558 1.00 0.00 H new ATOM 0 HG SER A 25 7.216 16.402 5.697 1.00 0.00 H new ATOM 312 N ALA A 26 4.971 11.334 4.588 1.00 0.00 N ATOM 313 CA ALA A 26 4.090 10.243 4.962 1.00 0.00 C ATOM 314 C ALA A 26 4.896 9.149 5.652 1.00 0.00 C ATOM 315 O ALA A 26 6.096 9.024 5.411 1.00 0.00 O ATOM 316 CB ALA A 26 3.447 9.695 3.686 1.00 0.00 C ATOM 0 H ALA A 26 5.441 11.177 3.697 1.00 0.00 H new ATOM 0 HA ALA A 26 3.320 10.592 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.779 8.872 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.879 10.486 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.225 9.336 3.012 1.00 0.00 H new ATOM 322 N LYS A 27 4.251 8.347 6.500 1.00 0.00 N ATOM 323 CA LYS A 27 4.835 7.199 7.133 1.00 0.00 C ATOM 324 C LYS A 27 5.270 6.246 6.019 1.00 0.00 C ATOM 325 O LYS A 27 4.406 5.773 5.280 1.00 0.00 O ATOM 326 CB LYS A 27 3.715 6.565 7.958 1.00 0.00 C ATOM 327 CG LYS A 27 3.543 7.225 9.330 1.00 0.00 C ATOM 328 CD LYS A 27 2.471 6.517 10.171 1.00 0.00 C ATOM 329 CE LYS A 27 1.053 6.809 9.664 1.00 0.00 C ATOM 330 NZ LYS A 27 0.039 6.068 10.432 1.00 0.00 N ATOM 0 H LYS A 27 3.277 8.497 6.763 1.00 0.00 H new ATOM 0 HA LYS A 27 5.691 7.437 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.778 6.636 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.926 5.504 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.493 7.208 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.269 8.272 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.648 5.442 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.557 6.836 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.854 7.878 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.980 6.540 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.504 5.456 9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.508 5.484 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.605 6.740 10.896 1.00 0.00 H new ATOM 344 N PRO A 28 6.572 5.974 5.841 1.00 0.00 N ATOM 345 CA PRO A 28 6.999 5.045 4.817 1.00 0.00 C ATOM 346 C PRO A 28 6.354 3.687 5.057 1.00 0.00 C ATOM 347 O PRO A 28 6.164 3.282 6.205 1.00 0.00 O ATOM 348 CB PRO A 28 8.521 4.948 4.937 1.00 0.00 C ATOM 349 CG PRO A 28 8.923 6.226 5.674 1.00 0.00 C ATOM 350 CD PRO A 28 7.714 6.505 6.568 1.00 0.00 C ATOM 0 HA PRO A 28 6.707 5.376 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.821 4.058 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.994 4.888 3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.833 6.085 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.112 7.048 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.822 6.022 7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.600 7.573 6.755 1.00 0.00 H new ATOM 358 N VAL A 29 6.008 2.984 3.981 1.00 0.00 N ATOM 359 CA VAL A 29 5.447 1.657 4.136 1.00 0.00 C ATOM 360 C VAL A 29 6.544 0.716 4.603 1.00 0.00 C ATOM 361 O VAL A 29 6.352 0.010 5.589 1.00 0.00 O ATOM 362 CB VAL A 29 4.818 1.110 2.852 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.345 1.501 2.782 1.00 0.00 C ATOM 364 CG2 VAL A 29 5.490 1.533 1.545 1.00 0.00 C ATOM 0 H VAL A 29 6.105 3.306 3.018 1.00 0.00 H new ATOM 0 HA VAL A 29 4.644 1.727 4.870 1.00 0.00 H new ATOM 0 HB VAL A 29 4.958 0.032 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.907 1.107 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.818 1.088 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.256 2.587 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.961 1.087 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.463 2.619 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.526 1.195 1.543 1.00 0.00 H new ATOM 374 N LYS A 30 7.675 0.722 3.885 1.00 0.00 N ATOM 375 CA LYS A 30 8.837 -0.117 4.122 1.00 0.00 C ATOM 376 C LYS A 30 8.362 -1.515 4.524 1.00 0.00 C ATOM 377 O LYS A 30 7.970 -2.284 3.653 1.00 0.00 O ATOM 378 CB LYS A 30 9.698 0.623 5.147 1.00 0.00 C ATOM 379 CG LYS A 30 10.957 -0.109 5.645 1.00 0.00 C ATOM 380 CD LYS A 30 11.799 -0.660 4.485 1.00 0.00 C ATOM 381 CE LYS A 30 13.198 -1.085 4.949 1.00 0.00 C ATOM 382 NZ LYS A 30 13.145 -2.083 6.032 1.00 0.00 N ATOM 0 H LYS A 30 7.801 1.345 3.087 1.00 0.00 H new ATOM 0 HA LYS A 30 9.461 -0.285 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.006 1.573 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.075 0.856 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.563 0.575 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.664 -0.928 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.289 -1.514 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.889 0.099 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.750 -1.497 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.747 -0.208 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.070 -2.551 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.911 -1.610 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.417 -2.793 5.814 1.00 0.00 H new ATOM 396 N GLY A 31 8.314 -1.784 5.831 1.00 0.00 N ATOM 397 CA GLY A 31 7.767 -2.981 6.426 1.00 0.00 C ATOM 398 C GLY A 31 7.219 -2.635 7.808 1.00 0.00 C ATOM 399 O GLY A 31 7.688 -3.193 8.795 1.00 0.00 O ATOM 0 H GLY A 31 8.677 -1.133 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.975 -3.388 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.537 -3.749 6.506 1.00 0.00 H new ATOM 403 N GLN A 32 6.253 -1.700 7.878 1.00 0.00 N ATOM 404 CA GLN A 32 5.616 -1.250 9.134 1.00 0.00 C ATOM 405 C GLN A 32 5.352 -2.452 10.041 1.00 0.00 C ATOM 406 O GLN A 32 5.757 -2.520 11.198 1.00 0.00 O ATOM 407 CB GLN A 32 4.311 -0.446 8.905 1.00 0.00 C ATOM 408 CG GLN A 32 4.408 0.543 7.740 1.00 0.00 C ATOM 409 CD GLN A 32 3.271 1.568 7.652 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.128 1.239 7.949 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.558 2.788 7.186 1.00 0.00 N ATOM 0 H GLN A 32 5.886 -1.228 7.052 1.00 0.00 H new ATOM 0 HA GLN A 32 6.314 -0.566 9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.492 -1.141 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.063 0.099 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.353 1.080 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.439 -0.021 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.520 3.030 6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.815 3.477 7.068 1.00 0.00 H new ATOM 420 N GLY A 33 4.658 -3.398 9.428 1.00 0.00 N ATOM 421 CA GLY A 33 4.332 -4.721 9.944 1.00 0.00 C ATOM 422 C GLY A 33 3.194 -5.307 9.116 1.00 0.00 C ATOM 423 O GLY A 33 2.228 -4.595 8.878 1.00 0.00 O ATOM 0 H GLY A 33 4.281 -3.253 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.206 -5.370 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.041 -4.656 10.992 1.00 0.00 H new ATOM 427 N ALA A 34 3.283 -6.562 8.658 1.00 0.00 N ATOM 428 CA ALA A 34 2.264 -7.188 7.811 1.00 0.00 C ATOM 429 C ALA A 34 0.835 -6.939 8.294 1.00 0.00 C ATOM 430 O ALA A 34 -0.028 -6.619 7.489 1.00 0.00 O ATOM 431 CB ALA A 34 2.503 -8.692 7.645 1.00 0.00 C ATOM 0 H ALA A 34 4.071 -7.175 8.867 1.00 0.00 H new ATOM 0 HA ALA A 34 2.367 -6.704 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.725 -9.116 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.477 -8.857 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.477 -9.175 8.622 1.00 0.00 H new ATOM 437 N GLU A 35 0.564 -7.072 9.592 1.00 0.00 N ATOM 438 CA GLU A 35 -0.750 -6.851 10.142 1.00 0.00 C ATOM 439 C GLU A 35 -1.173 -5.395 9.920 1.00 0.00 C ATOM 440 O GLU A 35 -2.266 -5.118 9.429 1.00 0.00 O ATOM 441 CB GLU A 35 -0.673 -7.215 11.627 1.00 0.00 C ATOM 442 CG GLU A 35 -0.142 -8.634 11.897 1.00 0.00 C ATOM 443 CD GLU A 35 -0.848 -9.691 11.054 1.00 0.00 C ATOM 444 OE1 GLU A 35 -2.038 -9.943 11.340 1.00 0.00 O ATOM 445 OE2 GLU A 35 -0.187 -10.216 10.131 1.00 0.00 O ATOM 0 H GLU A 35 1.262 -7.338 10.286 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.505 -7.467 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.031 -6.495 12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.666 -7.120 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.928 -8.664 11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.269 -8.871 12.953 1.00 0.00 H new ATOM 452 N GLU A 36 -0.268 -4.477 10.271 1.00 0.00 N ATOM 453 CA GLU A 36 -0.410 -3.041 10.133 1.00 0.00 C ATOM 454 C GLU A 36 -0.769 -2.718 8.681 1.00 0.00 C ATOM 455 O GLU A 36 -1.820 -2.159 8.375 1.00 0.00 O ATOM 456 CB GLU A 36 0.954 -2.417 10.506 1.00 0.00 C ATOM 457 CG GLU A 36 0.898 -1.298 11.535 1.00 0.00 C ATOM 458 CD GLU A 36 0.190 -0.046 11.026 1.00 0.00 C ATOM 459 OE1 GLU A 36 -1.044 -0.127 10.846 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.890 0.973 10.844 1.00 0.00 O ATOM 0 H GLU A 36 0.629 -4.739 10.680 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.195 -2.645 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.604 -3.205 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.418 -2.031 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.386 -1.659 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.913 -1.037 11.834 1.00 0.00 H new ATOM 467 N LEU A 37 0.142 -3.114 7.795 1.00 0.00 N ATOM 468 CA LEU A 37 0.075 -2.898 6.365 1.00 0.00 C ATOM 469 C LEU A 37 -1.202 -3.495 5.798 1.00 0.00 C ATOM 470 O LEU A 37 -1.875 -2.843 5.011 1.00 0.00 O ATOM 471 CB LEU A 37 1.305 -3.525 5.705 1.00 0.00 C ATOM 472 CG LEU A 37 2.580 -2.702 5.943 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.804 -3.601 5.766 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.654 -1.519 4.969 1.00 0.00 C ATOM 0 H LEU A 37 0.984 -3.617 8.075 1.00 0.00 H new ATOM 0 HA LEU A 37 0.064 -1.828 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.449 -4.533 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.131 -3.619 4.633 1.00 0.00 H new ATOM 0 HG LEU A 37 2.559 -2.307 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.710 -3.019 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.760 -4.420 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.815 -4.005 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.565 -0.950 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.662 -1.891 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.787 -0.874 5.114 1.00 0.00 H new ATOM 486 N TYR A 38 -1.534 -4.731 6.172 1.00 0.00 N ATOM 487 CA TYR A 38 -2.734 -5.390 5.693 1.00 0.00 C ATOM 488 C TYR A 38 -3.956 -4.569 6.071 1.00 0.00 C ATOM 489 O TYR A 38 -4.763 -4.238 5.213 1.00 0.00 O ATOM 490 CB TYR A 38 -2.831 -6.832 6.207 1.00 0.00 C ATOM 491 CG TYR A 38 -4.120 -7.552 5.839 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.631 -7.491 4.526 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.827 -8.264 6.826 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.857 -8.106 4.216 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.039 -8.901 6.507 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.558 -8.815 5.205 1.00 0.00 C ATOM 497 OH TYR A 38 -7.745 -9.413 4.901 1.00 0.00 O ATOM 0 H TYR A 38 -0.977 -5.296 6.813 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.687 -5.455 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.988 -7.401 5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.732 -6.824 7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.079 -6.971 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.437 -8.321 7.832 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.260 -8.033 3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.572 -9.457 7.264 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.098 -9.862 5.697 1.00 0.00 H new ATOM 507 N LYS A 39 -4.083 -4.218 7.346 1.00 0.00 N ATOM 508 CA LYS A 39 -5.226 -3.461 7.820 1.00 0.00 C ATOM 509 C LYS A 39 -5.342 -2.120 7.106 1.00 0.00 C ATOM 510 O LYS A 39 -6.409 -1.766 6.618 1.00 0.00 O ATOM 511 CB LYS A 39 -5.069 -3.256 9.327 1.00 0.00 C ATOM 512 CG LYS A 39 -6.388 -2.881 10.005 1.00 0.00 C ATOM 513 CD LYS A 39 -6.135 -2.794 11.513 1.00 0.00 C ATOM 514 CE LYS A 39 -7.371 -2.307 12.278 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.509 -3.234 12.140 1.00 0.00 N ATOM 0 H LYS A 39 -3.402 -4.449 8.070 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.141 -4.014 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.679 -4.169 9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.334 -2.472 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.755 -1.928 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.153 -3.627 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.840 -3.774 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.302 -2.117 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.122 -2.193 13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.660 -1.322 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.306 -2.892 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.797 -3.284 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.228 -4.180 12.467 1.00 0.00 H new ATOM 529 N LYS A 40 -4.252 -1.362 7.065 1.00 0.00 N ATOM 530 CA LYS A 40 -4.197 -0.068 6.426 1.00 0.00 C ATOM 531 C LYS A 40 -4.516 -0.170 4.928 1.00 0.00 C ATOM 532 O LYS A 40 -5.357 0.573 4.423 1.00 0.00 O ATOM 533 CB LYS A 40 -2.782 0.456 6.656 1.00 0.00 C ATOM 534 CG LYS A 40 -2.498 0.895 8.101 1.00 0.00 C ATOM 535 CD LYS A 40 -3.185 2.222 8.447 1.00 0.00 C ATOM 536 CE LYS A 40 -2.716 2.778 9.795 1.00 0.00 C ATOM 537 NZ LYS A 40 -3.065 1.883 10.911 1.00 0.00 N ATOM 0 H LYS A 40 -3.367 -1.643 7.487 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.942 0.609 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.070 -0.321 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.607 1.302 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.839 0.121 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.422 0.996 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.980 2.951 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.265 2.075 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.636 2.924 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.167 3.757 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.065 2.421 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.010 1.480 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.367 1.114 10.971 1.00 0.00 H new ATOM 551 N MET A 41 -3.849 -1.077 4.209 1.00 0.00 N ATOM 552 CA MET A 41 -4.055 -1.242 2.777 1.00 0.00 C ATOM 553 C MET A 41 -5.492 -1.702 2.502 1.00 0.00 C ATOM 554 O MET A 41 -6.142 -1.198 1.586 1.00 0.00 O ATOM 555 CB MET A 41 -2.931 -2.090 2.146 1.00 0.00 C ATOM 556 CG MET A 41 -3.047 -3.619 2.205 1.00 0.00 C ATOM 557 SD MET A 41 -4.111 -4.288 0.927 1.00 0.00 S ATOM 558 CE MET A 41 -3.213 -3.704 -0.529 1.00 0.00 C ATOM 0 H MET A 41 -3.156 -1.712 4.605 1.00 0.00 H new ATOM 0 HA MET A 41 -3.968 -0.285 2.263 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.849 -1.804 1.097 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.994 -1.810 2.627 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.054 -4.058 2.110 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.433 -3.912 3.182 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.274 -4.453 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.655 -2.771 -0.879 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.168 -3.535 -0.269 1.00 0.00 H new ATOM 568 N LYS A 42 -6.016 -2.608 3.337 1.00 0.00 N ATOM 569 CA LYS A 42 -7.409 -3.029 3.272 1.00 0.00 C ATOM 570 C LYS A 42 -8.292 -1.800 3.489 1.00 0.00 C ATOM 571 O LYS A 42 -9.269 -1.600 2.774 1.00 0.00 O ATOM 572 CB LYS A 42 -7.702 -4.101 4.333 1.00 0.00 C ATOM 573 CG LYS A 42 -9.044 -4.791 4.064 1.00 0.00 C ATOM 574 CD LYS A 42 -9.231 -5.958 5.038 1.00 0.00 C ATOM 575 CE LYS A 42 -10.528 -6.713 4.731 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.663 -7.902 5.589 1.00 0.00 N ATOM 0 H LYS A 42 -5.481 -3.066 4.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.618 -3.468 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.903 -4.842 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.717 -3.644 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.860 -4.077 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.078 -5.154 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.382 -6.638 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.255 -5.584 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.382 -6.052 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.539 -7.013 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.515 -8.433 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.826 -8.509 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.744 -7.606 6.583 1.00 0.00 H new ATOM 590 N GLY A 43 -7.927 -0.985 4.481 1.00 0.00 N ATOM 591 CA GLY A 43 -8.560 0.274 4.825 1.00 0.00 C ATOM 592 C GLY A 43 -8.711 1.126 3.575 1.00 0.00 C ATOM 593 O GLY A 43 -9.809 1.589 3.270 1.00 0.00 O ATOM 0 H GLY A 43 -7.141 -1.204 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.537 0.091 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.962 0.802 5.568 1.00 0.00 H new ATOM 597 N TYR A 44 -7.601 1.331 2.861 1.00 0.00 N ATOM 598 CA TYR A 44 -7.596 2.103 1.629 1.00 0.00 C ATOM 599 C TYR A 44 -8.485 1.449 0.573 1.00 0.00 C ATOM 600 O TYR A 44 -9.308 2.138 -0.020 1.00 0.00 O ATOM 601 CB TYR A 44 -6.166 2.331 1.114 1.00 0.00 C ATOM 602 CG TYR A 44 -5.334 3.340 1.889 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.823 4.645 2.103 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.994 3.046 2.207 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.006 5.622 2.699 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.166 4.037 2.759 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.672 5.320 3.010 1.00 0.00 C ATOM 608 OH TYR A 44 -2.854 6.289 3.507 1.00 0.00 O ATOM 0 H TYR A 44 -6.686 0.965 3.125 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.014 3.086 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.642 1.375 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.222 2.657 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.831 4.896 1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.602 2.056 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.404 6.602 2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.136 3.810 2.991 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.875 6.264 4.486 1.00 0.00 H new ATOM 618 N ALA A 45 -8.329 0.145 0.332 1.00 0.00 N ATOM 619 CA ALA A 45 -9.107 -0.581 -0.669 1.00 0.00 C ATOM 620 C ALA A 45 -10.610 -0.444 -0.428 1.00 0.00 C ATOM 621 O ALA A 45 -11.358 -0.070 -1.328 1.00 0.00 O ATOM 622 CB ALA A 45 -8.674 -2.050 -0.686 1.00 0.00 C ATOM 0 H ALA A 45 -7.656 -0.438 0.829 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.909 -0.143 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.254 -2.592 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.614 -2.114 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.845 -2.491 0.296 1.00 0.00 H new ATOM 628 N ASP A 46 -11.053 -0.758 0.788 1.00 0.00 N ATOM 629 CA ASP A 46 -12.451 -0.672 1.178 1.00 0.00 C ATOM 630 C ASP A 46 -12.921 0.784 1.199 1.00 0.00 C ATOM 631 O ASP A 46 -14.056 1.071 0.827 1.00 0.00 O ATOM 632 CB ASP A 46 -12.624 -1.326 2.552 1.00 0.00 C ATOM 633 CG ASP A 46 -14.049 -1.166 3.071 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.910 -1.952 2.623 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.244 -0.263 3.915 1.00 0.00 O ATOM 0 H ASP A 46 -10.440 -1.083 1.536 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.065 -1.200 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.377 -2.385 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.926 -0.879 3.259 1.00 0.00 H new ATOM 640 N GLY A 47 -12.055 1.692 1.655 1.00 0.00 N ATOM 641 CA GLY A 47 -12.341 3.113 1.784 1.00 0.00 C ATOM 642 C GLY A 47 -12.521 3.515 3.249 1.00 0.00 C ATOM 643 O GLY A 47 -12.814 4.674 3.535 1.00 0.00 O ATOM 0 H GLY A 47 -11.110 1.447 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.528 3.691 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.244 3.356 1.225 1.00 0.00 H new ATOM 647 N SER A 48 -12.354 2.576 4.188 1.00 0.00 N ATOM 648 CA SER A 48 -12.430 2.836 5.616 1.00 0.00 C ATOM 649 C SER A 48 -11.309 3.798 6.009 1.00 0.00 C ATOM 650 O SER A 48 -11.499 4.653 6.870 1.00 0.00 O ATOM 651 CB SER A 48 -12.328 1.510 6.385 1.00 0.00 C ATOM 652 OG SER A 48 -12.152 0.415 5.504 1.00 0.00 O ATOM 0 H SER A 48 -12.159 1.600 3.965 1.00 0.00 H new ATOM 0 HA SER A 48 -13.384 3.298 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.492 1.556 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.230 1.361 6.978 1.00 0.00 H new ATOM 0 HG SER A 48 -12.975 0.273 4.991 1.00 0.00 H new ATOM 658 N TYR A 49 -10.135 3.627 5.392 1.00 0.00 N ATOM 659 CA TYR A 49 -8.999 4.521 5.540 1.00 0.00 C ATOM 660 C TYR A 49 -8.923 5.292 4.223 1.00 0.00 C ATOM 661 O TYR A 49 -9.191 4.712 3.174 1.00 0.00 O ATOM 662 CB TYR A 49 -7.713 3.713 5.794 1.00 0.00 C ATOM 663 CG TYR A 49 -6.466 4.515 6.127 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.530 5.674 6.927 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.211 4.033 5.712 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.356 6.369 7.257 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.036 4.713 6.073 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.107 5.881 6.848 1.00 0.00 C ATOM 669 OH TYR A 49 -2.978 6.515 7.270 1.00 0.00 O ATOM 0 H TYR A 49 -9.952 2.844 4.764 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.109 5.196 6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.902 3.019 6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.506 3.112 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.485 6.028 7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.151 3.136 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.415 7.284 7.828 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.076 4.336 5.753 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.269 5.855 7.420 1.00 0.00 H new ATOM 679 N GLY A 50 -8.586 6.582 4.244 1.00 0.00 N ATOM 680 CA GLY A 50 -8.527 7.348 3.013 1.00 0.00 C ATOM 681 C GLY A 50 -8.416 8.840 3.291 1.00 0.00 C ATOM 682 O GLY A 50 -8.034 9.246 4.386 1.00 0.00 O ATOM 0 H GLY A 50 -8.354 7.106 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.672 7.022 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.419 7.153 2.418 1.00 0.00 H new ATOM 686 N GLY A 51 -8.731 9.641 2.273 1.00 0.00 N ATOM 687 CA GLY A 51 -8.641 11.087 2.250 1.00 0.00 C ATOM 688 C GLY A 51 -8.698 11.501 0.779 1.00 0.00 C ATOM 689 O GLY A 51 -8.967 10.654 -0.073 1.00 0.00 O ATOM 0 H GLY A 51 -9.077 9.266 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.460 11.536 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.714 11.426 2.713 1.00 0.00 H new ATOM 693 N GLU A 52 -8.421 12.773 0.474 1.00 0.00 N ATOM 694 CA GLU A 52 -8.484 13.290 -0.888 1.00 0.00 C ATOM 695 C GLU A 52 -7.508 12.551 -1.815 1.00 0.00 C ATOM 696 O GLU A 52 -7.919 11.696 -2.596 1.00 0.00 O ATOM 697 CB GLU A 52 -8.264 14.812 -0.865 1.00 0.00 C ATOM 698 CG GLU A 52 -8.428 15.444 -2.254 1.00 0.00 C ATOM 699 CD GLU A 52 -8.217 16.953 -2.196 1.00 0.00 C ATOM 700 OE1 GLU A 52 -7.039 17.351 -2.064 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.233 17.676 -2.268 1.00 0.00 O ATOM 0 H GLU A 52 -8.147 13.469 1.167 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.474 13.105 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.972 15.269 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.265 15.027 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.713 15.000 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.424 15.227 -2.641 1.00 0.00 H new ATOM 708 N ARG A 53 -6.210 12.865 -1.724 1.00 0.00 N ATOM 709 CA ARG A 53 -5.186 12.263 -2.578 1.00 0.00 C ATOM 710 C ARG A 53 -5.247 10.735 -2.536 1.00 0.00 C ATOM 711 O ARG A 53 -5.074 10.058 -3.551 1.00 0.00 O ATOM 712 CB ARG A 53 -3.795 12.782 -2.183 1.00 0.00 C ATOM 713 CG ARG A 53 -3.267 12.223 -0.847 1.00 0.00 C ATOM 714 CD ARG A 53 -1.952 12.896 -0.441 1.00 0.00 C ATOM 715 NE ARG A 53 -0.938 12.728 -1.487 1.00 0.00 N ATOM 716 CZ ARG A 53 0.304 13.221 -1.443 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.790 13.796 -0.340 1.00 0.00 N ATOM 718 NH2 ARG A 53 1.080 13.146 -2.524 1.00 0.00 N ATOM 0 H ARG A 53 -5.843 13.543 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.383 12.559 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.088 12.531 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.830 13.870 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.012 12.376 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.115 11.147 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.122 13.957 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.592 12.467 0.494 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.201 12.192 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.210 13.867 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.741 14.164 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.725 12.715 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.029 13.520 -2.498 1.00 0.00 H new ATOM 732 N LYS A 54 -5.515 10.215 -1.335 1.00 0.00 N ATOM 733 CA LYS A 54 -5.613 8.799 -1.047 1.00 0.00 C ATOM 734 C LYS A 54 -6.544 8.098 -2.033 1.00 0.00 C ATOM 735 O LYS A 54 -6.318 6.934 -2.332 1.00 0.00 O ATOM 736 CB LYS A 54 -6.116 8.575 0.381 1.00 0.00 C ATOM 737 CG LYS A 54 -5.407 9.388 1.475 1.00 0.00 C ATOM 738 CD LYS A 54 -3.910 9.071 1.563 1.00 0.00 C ATOM 739 CE LYS A 54 -3.270 9.687 2.813 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.729 9.028 4.050 1.00 0.00 N ATOM 0 H LYS A 54 -5.674 10.798 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.615 8.373 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.180 8.810 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.016 7.516 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.539 10.452 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.876 9.183 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.767 7.990 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.406 9.448 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.185 9.608 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.510 10.749 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.187 9.392 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.740 9.225 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.585 8.001 3.970 1.00 0.00 H new ATOM 754 N ALA A 55 -7.572 8.785 -2.543 1.00 0.00 N ATOM 755 CA ALA A 55 -8.508 8.224 -3.513 1.00 0.00 C ATOM 756 C ALA A 55 -7.806 7.437 -4.630 1.00 0.00 C ATOM 757 O ALA A 55 -8.273 6.365 -5.017 1.00 0.00 O ATOM 758 CB ALA A 55 -9.374 9.340 -4.100 1.00 0.00 C ATOM 0 H ALA A 55 -7.776 9.752 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.139 7.510 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.071 8.917 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.932 9.827 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.737 10.073 -4.595 1.00 0.00 H new ATOM 764 N MET A 56 -6.678 7.949 -5.135 1.00 0.00 N ATOM 765 CA MET A 56 -5.928 7.275 -6.189 1.00 0.00 C ATOM 766 C MET A 56 -5.436 5.911 -5.692 1.00 0.00 C ATOM 767 O MET A 56 -5.663 4.876 -6.321 1.00 0.00 O ATOM 768 CB MET A 56 -4.752 8.156 -6.636 1.00 0.00 C ATOM 769 CG MET A 56 -5.195 9.536 -7.142 1.00 0.00 C ATOM 770 SD MET A 56 -6.354 9.523 -8.535 1.00 0.00 S ATOM 771 CE MET A 56 -6.584 11.300 -8.756 1.00 0.00 C ATOM 0 H MET A 56 -6.267 8.830 -4.827 1.00 0.00 H new ATOM 0 HA MET A 56 -6.579 7.109 -7.048 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.064 8.285 -5.801 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.202 7.645 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.655 10.076 -6.315 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.308 10.098 -7.435 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.275 11.478 -9.580 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.992 11.731 -7.842 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.624 11.766 -8.980 1.00 0.00 H new ATOM 781 N MET A 57 -4.769 5.926 -4.536 1.00 0.00 N ATOM 782 CA MET A 57 -4.239 4.748 -3.875 1.00 0.00 C ATOM 783 C MET A 57 -5.386 3.772 -3.624 1.00 0.00 C ATOM 784 O MET A 57 -5.283 2.609 -3.999 1.00 0.00 O ATOM 785 CB MET A 57 -3.524 5.187 -2.593 1.00 0.00 C ATOM 786 CG MET A 57 -2.848 4.043 -1.828 1.00 0.00 C ATOM 787 SD MET A 57 -1.829 4.563 -0.413 1.00 0.00 S ATOM 788 CE MET A 57 -2.519 6.168 0.041 1.00 0.00 C ATOM 0 H MET A 57 -4.581 6.788 -4.025 1.00 0.00 H new ATOM 0 HA MET A 57 -3.505 4.229 -4.491 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.772 5.934 -2.847 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.245 5.672 -1.936 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.618 3.360 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.221 3.482 -2.522 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.056 6.515 0.965 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.324 6.886 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.595 6.073 0.188 1.00 0.00 H new ATOM 798 N THR A 58 -6.482 4.251 -3.028 1.00 0.00 N ATOM 799 CA THR A 58 -7.697 3.487 -2.787 1.00 0.00 C ATOM 800 C THR A 58 -8.116 2.769 -4.065 1.00 0.00 C ATOM 801 O THR A 58 -8.256 1.550 -4.051 1.00 0.00 O ATOM 802 CB THR A 58 -8.802 4.415 -2.250 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.576 4.660 -0.879 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.228 3.880 -2.443 1.00 0.00 C ATOM 0 H THR A 58 -6.544 5.212 -2.692 1.00 0.00 H new ATOM 0 HA THR A 58 -7.514 2.726 -2.028 1.00 0.00 H new ATOM 0 HB THR A 58 -8.742 5.332 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.786 3.853 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.943 4.595 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.422 3.737 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.333 2.928 -1.923 1.00 0.00 H new ATOM 812 N ASN A 59 -8.302 3.493 -5.173 1.00 0.00 N ATOM 813 CA ASN A 59 -8.709 2.842 -6.412 1.00 0.00 C ATOM 814 C ASN A 59 -7.682 1.789 -6.820 1.00 0.00 C ATOM 815 O ASN A 59 -8.073 0.698 -7.230 1.00 0.00 O ATOM 816 CB ASN A 59 -8.931 3.851 -7.541 1.00 0.00 C ATOM 817 CG ASN A 59 -9.749 3.295 -8.716 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.328 4.075 -9.463 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.854 1.978 -8.919 1.00 0.00 N ATOM 0 H ASN A 59 -8.180 4.504 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.664 2.350 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.440 4.727 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.962 4.187 -7.911 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.415 1.625 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.373 1.326 -8.299 1.00 0.00 H new ATOM 826 N ALA A 60 -6.386 2.100 -6.723 1.00 0.00 N ATOM 827 CA ALA A 60 -5.351 1.144 -7.086 1.00 0.00 C ATOM 828 C ALA A 60 -5.475 -0.138 -6.253 1.00 0.00 C ATOM 829 O ALA A 60 -5.683 -1.218 -6.805 1.00 0.00 O ATOM 830 CB ALA A 60 -3.966 1.788 -6.969 1.00 0.00 C ATOM 0 H ALA A 60 -6.036 3.001 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.485 0.854 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.202 1.061 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.906 2.647 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.803 2.115 -5.942 1.00 0.00 H new ATOM 836 N VAL A 61 -5.382 -0.037 -4.923 1.00 0.00 N ATOM 837 CA VAL A 61 -5.472 -1.214 -4.068 1.00 0.00 C ATOM 838 C VAL A 61 -6.837 -1.903 -4.186 1.00 0.00 C ATOM 839 O VAL A 61 -6.908 -3.122 -4.060 1.00 0.00 O ATOM 840 CB VAL A 61 -5.081 -0.916 -2.610 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.591 -0.576 -2.497 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.879 0.200 -1.937 1.00 0.00 C ATOM 0 H VAL A 61 -5.246 0.842 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.732 -1.925 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.320 -1.839 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.343 -0.370 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.998 -1.419 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.371 0.303 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.528 0.332 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.743 1.129 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.936 -0.064 -1.926 1.00 0.00 H new ATOM 852 N LYS A 62 -7.917 -1.165 -4.469 1.00 0.00 N ATOM 853 CA LYS A 62 -9.246 -1.740 -4.639 1.00 0.00 C ATOM 854 C LYS A 62 -9.252 -2.808 -5.736 1.00 0.00 C ATOM 855 O LYS A 62 -10.093 -3.704 -5.706 1.00 0.00 O ATOM 856 CB LYS A 62 -10.269 -0.623 -4.900 1.00 0.00 C ATOM 857 CG LYS A 62 -11.690 -1.146 -5.155 1.00 0.00 C ATOM 858 CD LYS A 62 -12.725 -0.015 -5.254 1.00 0.00 C ATOM 859 CE LYS A 62 -12.986 0.660 -3.901 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.093 1.628 -3.986 1.00 0.00 N ATOM 0 H LYS A 62 -7.888 -0.152 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.535 -2.247 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.286 0.051 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.945 -0.038 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.700 -1.725 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.974 -1.824 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.376 0.731 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.661 -0.416 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.221 -0.098 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.082 1.168 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.243 2.066 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.857 2.365 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.961 1.138 -4.282 1.00 0.00 H new ATOM 874 N LYS A 63 -8.333 -2.737 -6.706 1.00 0.00 N ATOM 875 CA LYS A 63 -8.294 -3.736 -7.764 1.00 0.00 C ATOM 876 C LYS A 63 -7.807 -5.103 -7.244 1.00 0.00 C ATOM 877 O LYS A 63 -8.012 -6.123 -7.899 1.00 0.00 O ATOM 878 CB LYS A 63 -7.418 -3.261 -8.932 1.00 0.00 C ATOM 879 CG LYS A 63 -7.729 -1.837 -9.419 1.00 0.00 C ATOM 880 CD LYS A 63 -9.222 -1.531 -9.618 1.00 0.00 C ATOM 881 CE LYS A 63 -9.889 -2.420 -10.677 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.256 -2.270 -11.998 1.00 0.00 N ATOM 0 H LYS A 63 -7.621 -2.010 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.315 -3.865 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.372 -3.308 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.539 -3.952 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.320 -1.126 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.210 -1.670 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.741 -1.658 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.336 -0.486 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.832 -3.462 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.946 -2.166 -10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.816 -2.779 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.211 -1.262 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.294 -2.663 -11.968 1.00 0.00 H new ATOM 896 N ALA A 64 -7.132 -5.129 -6.090 1.00 0.00 N ATOM 897 CA ALA A 64 -6.543 -6.319 -5.499 1.00 0.00 C ATOM 898 C ALA A 64 -7.590 -7.148 -4.744 1.00 0.00 C ATOM 899 O ALA A 64 -8.360 -6.614 -3.950 1.00 0.00 O ATOM 900 CB ALA A 64 -5.432 -5.854 -4.553 1.00 0.00 C ATOM 0 H ALA A 64 -6.980 -4.291 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.141 -6.965 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.964 -6.721 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.684 -5.296 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.857 -5.213 -3.780 1.00 0.00 H new ATOM 906 N SER A 65 -7.605 -8.464 -4.982 1.00 0.00 N ATOM 907 CA SER A 65 -8.477 -9.401 -4.270 1.00 0.00 C ATOM 908 C SER A 65 -7.860 -9.712 -2.900 1.00 0.00 C ATOM 909 O SER A 65 -6.697 -9.397 -2.682 1.00 0.00 O ATOM 910 CB SER A 65 -8.657 -10.668 -5.113 1.00 0.00 C ATOM 911 OG SER A 65 -9.215 -10.324 -6.367 1.00 0.00 O ATOM 0 H SER A 65 -7.008 -8.910 -5.679 1.00 0.00 H new ATOM 0 HA SER A 65 -9.463 -8.964 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.696 -11.164 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.307 -11.373 -4.595 1.00 0.00 H new ATOM 0 HG SER A 65 -9.329 -11.133 -6.908 1.00 0.00 H new ATOM 917 N ASP A 66 -8.587 -10.348 -1.976 1.00 0.00 N ATOM 918 CA ASP A 66 -8.091 -10.609 -0.619 1.00 0.00 C ATOM 919 C ASP A 66 -6.663 -11.165 -0.560 1.00 0.00 C ATOM 920 O ASP A 66 -5.852 -10.710 0.249 1.00 0.00 O ATOM 921 CB ASP A 66 -9.075 -11.490 0.163 1.00 0.00 C ATOM 922 CG ASP A 66 -9.141 -12.914 -0.376 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.888 -13.108 -1.358 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.429 -13.772 0.190 1.00 0.00 O ATOM 0 H ASP A 66 -9.531 -10.695 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.030 -9.634 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.780 -11.516 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.068 -11.043 0.122 1.00 0.00 H new ATOM 929 N GLU A 67 -6.346 -12.144 -1.407 1.00 0.00 N ATOM 930 CA GLU A 67 -5.056 -12.768 -1.486 1.00 0.00 C ATOM 931 C GLU A 67 -3.980 -11.723 -1.763 1.00 0.00 C ATOM 932 O GLU A 67 -2.957 -11.655 -1.087 1.00 0.00 O ATOM 933 CB GLU A 67 -5.132 -13.809 -2.607 1.00 0.00 C ATOM 934 CG GLU A 67 -6.275 -14.833 -2.466 1.00 0.00 C ATOM 935 CD GLU A 67 -7.542 -14.472 -3.246 1.00 0.00 C ATOM 936 OE1 GLU A 67 -7.734 -13.263 -3.509 1.00 0.00 O ATOM 937 OE2 GLU A 67 -8.296 -15.414 -3.568 1.00 0.00 O ATOM 0 H GLU A 67 -7.015 -12.527 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.790 -13.250 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.245 -13.289 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.185 -14.347 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.919 -15.806 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.528 -14.935 -1.411 1.00 0.00 H new ATOM 944 N GLU A 68 -4.250 -10.890 -2.761 1.00 0.00 N ATOM 945 CA GLU A 68 -3.406 -9.837 -3.236 1.00 0.00 C ATOM 946 C GLU A 68 -3.249 -8.752 -2.166 1.00 0.00 C ATOM 947 O GLU A 68 -2.147 -8.270 -1.913 1.00 0.00 O ATOM 948 CB GLU A 68 -4.100 -9.299 -4.479 1.00 0.00 C ATOM 949 CG GLU A 68 -4.380 -10.301 -5.609 1.00 0.00 C ATOM 950 CD GLU A 68 -3.154 -11.101 -6.042 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.831 -12.079 -5.332 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.583 -10.738 -7.092 1.00 0.00 O ATOM 0 H GLU A 68 -5.124 -10.949 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.399 -10.185 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.049 -8.859 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.490 -8.492 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.157 -10.993 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.773 -9.762 -6.471 1.00 0.00 H new ATOM 959 N LEU A 69 -4.366 -8.359 -1.549 1.00 0.00 N ATOM 960 CA LEU A 69 -4.380 -7.391 -0.459 1.00 0.00 C ATOM 961 C LEU A 69 -3.383 -7.852 0.614 1.00 0.00 C ATOM 962 O LEU A 69 -2.476 -7.111 0.996 1.00 0.00 O ATOM 963 CB LEU A 69 -5.799 -7.196 0.120 1.00 0.00 C ATOM 964 CG LEU A 69 -6.816 -6.504 -0.812 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.216 -6.535 -0.184 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.516 -5.026 -1.087 1.00 0.00 C ATOM 0 H LEU A 69 -5.292 -8.709 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.078 -6.415 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.195 -8.173 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.720 -6.612 1.037 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.751 -7.060 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.925 -6.044 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.522 -7.569 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.197 -6.014 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.279 -4.617 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.518 -4.473 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.538 -4.935 -1.559 1.00 0.00 H new ATOM 978 N LYS A 70 -3.513 -9.102 1.073 1.00 0.00 N ATOM 979 CA LYS A 70 -2.565 -9.653 2.034 1.00 0.00 C ATOM 980 C LYS A 70 -1.153 -9.670 1.438 1.00 0.00 C ATOM 981 O LYS A 70 -0.182 -9.343 2.119 1.00 0.00 O ATOM 982 CB LYS A 70 -2.995 -11.061 2.464 1.00 0.00 C ATOM 983 CG LYS A 70 -4.247 -11.014 3.349 1.00 0.00 C ATOM 984 CD LYS A 70 -4.603 -12.392 3.928 1.00 0.00 C ATOM 985 CE LYS A 70 -4.989 -13.430 2.866 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.156 -12.998 2.080 1.00 0.00 N ATOM 0 H LYS A 70 -4.258 -9.741 0.795 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.554 -9.017 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.193 -11.669 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.181 -11.543 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.086 -10.310 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.088 -10.639 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.752 -12.767 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.430 -12.278 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.144 -13.599 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.209 -14.381 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.449 -13.766 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.939 -12.763 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.905 -12.159 1.518 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.032 -10.046 0.165 1.00 0.00 N ATOM 1001 CA ALA A 71 0.249 -10.118 -0.510 1.00 0.00 C ATOM 1002 C ALA A 71 1.014 -8.794 -0.499 1.00 0.00 C ATOM 1003 O ALA A 71 2.233 -8.810 -0.336 1.00 0.00 O ATOM 1004 CB ALA A 71 0.086 -10.654 -1.927 1.00 0.00 C ATOM 0 H ALA A 71 -1.824 -10.308 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 71 0.859 -10.820 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.060 -10.699 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.348 -11.653 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.572 -9.994 -2.492 1.00 0.00 H new ATOM 1010 N LEU A 72 0.342 -7.650 -0.672 1.00 0.00 N ATOM 1011 CA LEU A 72 1.018 -6.368 -0.609 1.00 0.00 C ATOM 1012 C LEU A 72 1.708 -6.243 0.749 1.00 0.00 C ATOM 1013 O LEU A 72 2.906 -5.965 0.829 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.017 -5.251 -0.787 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.067 -4.584 -2.168 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.296 -4.160 -2.732 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.797 -5.477 -3.161 1.00 0.00 C ATOM 0 H LEU A 72 -0.660 -7.595 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 72 1.765 -6.289 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.003 -5.661 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.180 -4.480 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.617 -3.655 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.158 -3.699 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.763 -3.444 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.937 -5.036 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.824 -4.990 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.275 -6.430 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.815 -5.651 -2.814 1.00 0.00 H new ATOM 1029 N ALA A 73 0.932 -6.453 1.815 1.00 0.00 N ATOM 1030 CA ALA A 73 1.441 -6.416 3.174 1.00 0.00 C ATOM 1031 C ALA A 73 2.619 -7.377 3.335 1.00 0.00 C ATOM 1032 O ALA A 73 3.644 -6.998 3.894 1.00 0.00 O ATOM 1033 CB ALA A 73 0.313 -6.730 4.150 1.00 0.00 C ATOM 0 H ALA A 73 -0.066 -6.653 1.753 1.00 0.00 H new ATOM 0 HA ALA A 73 1.813 -5.416 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.696 -6.702 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.480 -5.990 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.085 -7.723 3.939 1.00 0.00 H new ATOM 1039 N ASP A 74 2.478 -8.613 2.847 1.00 0.00 N ATOM 1040 CA ASP A 74 3.544 -9.610 2.879 1.00 0.00 C ATOM 1041 C ASP A 74 4.830 -9.077 2.235 1.00 0.00 C ATOM 1042 O ASP A 74 5.883 -9.129 2.863 1.00 0.00 O ATOM 1043 CB ASP A 74 3.084 -10.903 2.194 1.00 0.00 C ATOM 1044 CG ASP A 74 4.195 -11.946 2.113 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.759 -12.267 3.180 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.445 -12.427 0.983 1.00 0.00 O ATOM 0 H ASP A 74 1.616 -8.948 2.417 1.00 0.00 H new ATOM 0 HA ASP A 74 3.769 -9.830 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.238 -11.319 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.732 -10.673 1.189 1.00 0.00 H new ATOM 1051 N TYR A 75 4.755 -8.585 0.989 1.00 0.00 N ATOM 1052 CA TYR A 75 5.919 -8.057 0.277 1.00 0.00 C ATOM 1053 C TYR A 75 6.650 -7.010 1.125 1.00 0.00 C ATOM 1054 O TYR A 75 7.830 -7.160 1.436 1.00 0.00 O ATOM 1055 CB TYR A 75 5.498 -7.478 -1.087 1.00 0.00 C ATOM 1056 CG TYR A 75 6.580 -6.667 -1.786 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.675 -7.312 -2.390 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.568 -5.261 -1.706 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.746 -6.556 -2.904 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.676 -4.515 -2.141 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.759 -5.157 -2.762 1.00 0.00 C ATOM 1062 OH TYR A 75 9.821 -4.439 -3.234 1.00 0.00 O ATOM 0 H TYR A 75 3.888 -8.544 0.453 1.00 0.00 H new ATOM 0 HA TYR A 75 6.614 -8.877 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.197 -8.298 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.622 -6.846 -0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.694 -8.390 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.702 -4.753 -1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.561 -7.053 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.695 -3.445 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 75 9.763 -3.517 -2.908 1.00 0.00 H new ATOM 1072 N MET A 76 5.948 -5.935 1.483 1.00 0.00 N ATOM 1073 CA MET A 76 6.467 -4.850 2.269 1.00 0.00 C ATOM 1074 C MET A 76 7.001 -5.339 3.620 1.00 0.00 C ATOM 1075 O MET A 76 8.121 -5.030 4.012 1.00 0.00 O ATOM 1076 CB MET A 76 5.291 -3.881 2.388 1.00 0.00 C ATOM 1077 CG MET A 76 4.922 -3.300 1.018 1.00 0.00 C ATOM 1078 SD MET A 76 3.873 -1.828 1.046 1.00 0.00 S ATOM 1079 CE MET A 76 2.263 -2.618 1.222 1.00 0.00 C ATOM 0 H MET A 76 4.972 -5.805 1.218 1.00 0.00 H new ATOM 0 HA MET A 76 7.330 -4.364 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.430 -4.398 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.548 -3.073 3.073 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.843 -3.057 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.415 -4.073 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.552 -1.906 1.640 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.912 -2.950 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.350 -3.477 1.887 1.00 0.00 H new ATOM 1089 N SER A 77 6.254 -6.177 4.333 1.00 0.00 N ATOM 1090 CA SER A 77 6.677 -6.684 5.633 1.00 0.00 C ATOM 1091 C SER A 77 7.788 -7.744 5.538 1.00 0.00 C ATOM 1092 O SER A 77 7.846 -8.623 6.400 1.00 0.00 O ATOM 1093 CB SER A 77 5.451 -7.247 6.354 1.00 0.00 C ATOM 1094 OG SER A 77 5.738 -7.509 7.717 1.00 0.00 O ATOM 0 H SER A 77 5.344 -6.522 4.028 1.00 0.00 H new ATOM 0 HA SER A 77 7.108 -5.856 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.626 -6.539 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.127 -8.165 5.864 1.00 0.00 H new ATOM 0 HG SER A 77 6.591 -7.986 7.786 1.00 0.00 H new ATOM 1100 N LYS A 78 8.662 -7.677 4.531 1.00 0.00 N ATOM 1101 CA LYS A 78 9.781 -8.580 4.338 1.00 0.00 C ATOM 1102 C LYS A 78 10.830 -7.791 3.545 1.00 0.00 C ATOM 1103 O LYS A 78 11.521 -8.334 2.684 1.00 0.00 O ATOM 1104 CB LYS A 78 9.272 -9.809 3.575 1.00 0.00 C ATOM 1105 CG LYS A 78 10.272 -10.974 3.589 1.00 0.00 C ATOM 1106 CD LYS A 78 10.002 -11.945 2.432 1.00 0.00 C ATOM 1107 CE LYS A 78 10.842 -11.621 1.187 1.00 0.00 C ATOM 1108 NZ LYS A 78 10.607 -10.257 0.680 1.00 0.00 N ATOM 0 H LYS A 78 8.601 -6.963 3.805 1.00 0.00 H new ATOM 0 HA LYS A 78 10.224 -8.934 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.330 -10.139 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.062 -9.529 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.288 -10.587 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.203 -11.506 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.218 -12.963 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.944 -11.911 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.899 -11.738 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.612 -12.341 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.133 -10.121 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.591 -10.122 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.931 -9.564 1.385 1.00 0.00 H new ATOM 1122 N LEU A 79 10.906 -6.488 3.819 1.00 0.00 N ATOM 1123 CA LEU A 79 11.718 -5.519 3.145 1.00 0.00 C ATOM 1124 C LEU A 79 12.458 -4.717 4.213 1.00 0.00 C ATOM 1125 O LEU A 79 13.626 -4.348 3.967 1.00 0.00 O ATOM 1126 CB LEU A 79 10.722 -4.632 2.386 1.00 0.00 C ATOM 1127 CG LEU A 79 11.122 -4.407 0.941 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.072 -3.536 0.247 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.500 -3.761 0.847 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.825 -4.466 5.264 1.00 0.00 O ATOM 0 H LEU A 79 10.358 -6.071 4.572 1.00 0.00 H new ATOM 0 HA LEU A 79 12.454 -5.949 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.734 -5.092 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.641 -3.669 2.891 1.00 0.00 H new ATOM 0 HG LEU A 79 11.175 -5.373 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.361 -3.375 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.104 -4.036 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.002 -2.575 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.761 -3.611 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.486 -2.799 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.239 -4.411 1.316 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.521 4.426 -0.397 1.00 6.41 FE HETATM 1144 CHA HEC A 80 0.842 5.082 2.952 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.017 1.107 0.348 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.514 3.722 -3.710 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.797 7.771 -1.026 1.00 10.53 C HETATM 1148 NA HEC A 80 0.469 3.316 1.291 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.664 3.762 2.580 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.542 2.683 3.524 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.122 1.602 2.823 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.169 1.973 1.419 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.307 0.265 3.358 1.00 7.00 C HETATM 1154 CAA HEC A 80 0.774 2.841 5.005 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.380 3.571 5.708 1.00 11.15 C HETATM 1156 CGA HEC A 80 -0.015 4.203 7.046 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.163 4.242 7.386 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.928 4.690 7.710 1.00 17.21 O HETATM 1159 NB HEC A 80 0.322 2.748 -1.470 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.101 1.467 -0.993 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.028 0.535 -2.089 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.147 1.253 -3.241 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.336 2.642 -2.846 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.118 -0.954 -1.901 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.136 0.733 -4.665 1.00 6.35 C HETATM 1166 CBB HEC A 80 -1.178 0.081 -5.109 1.00 6.48 C HETATM 1167 NC HEC A 80 0.618 5.529 -2.038 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.605 5.065 -3.338 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.799 6.165 -4.260 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.114 7.259 -3.502 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.839 6.892 -2.118 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.746 6.012 -5.763 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.681 8.601 -3.931 1.00 3.39 C HETATM 1174 CBC HEC A 80 1.330 9.115 -5.331 1.00 10.94 C HETATM 1175 ND HEC A 80 0.574 6.097 0.749 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.641 7.398 0.310 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.496 8.305 1.438 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.446 7.543 2.574 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.635 6.176 2.130 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.354 9.801 1.295 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.143 8.001 3.998 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.805 7.332 5.225 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.602 8.219 6.446 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.506 8.986 6.768 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.460 8.131 7.054 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.234 10.204 0.793 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.535 10.027 0.707 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.261 10.254 2.282 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.513 5.307 -6.084 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.235 5.639 -6.056 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.922 6.979 -6.234 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.731 -1.334 -1.333 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.040 -1.164 -1.359 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.150 -1.442 -2.875 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.516 -0.186 3.912 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -1.162 0.396 4.021 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.586 -0.386 2.529 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.369 6.348 5.398 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.869 7.181 5.043 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 1.685 8.406 -6.079 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.249 9.224 -5.418 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.806 10.082 -5.493 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.397 -0.771 -4.465 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.987 0.808 -5.037 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -1.085 -0.258 -6.141 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.756 4.350 5.045 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -1.195 2.865 5.866 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.387 9.062 4.047 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.935 7.915 4.135 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 0.905 1.857 5.456 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.700 3.392 5.167 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.894 8.836 -1.239 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.589 3.497 -4.774 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.274 0.072 0.573 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.171 5.276 3.973 1.00 5.52 H new