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 94:sc= 0.16 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 154:sc= 0.392 (180deg=-0.135) USER MOD Set 1.3: A 57 MET CE :methyl 169:sc= -1.07 (180deg=-1.82) USER MOD Set 2.1: A 41 MET CE :methyl 149:sc= -0.42 (180deg=-1.16) USER MOD Set 2.2: A 76 MET CE :methyl -168:sc= -0.57 (180deg=-1.03) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -152:sc= 1.39 (180deg=-0.0308) USER MOD Set 3.2: A 49 TYR OH : rot 148:sc= 1.81 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.248 (180deg=0) USER MOD Single : A 7 TYR OH : rot -167:sc= 1.28 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 86:sc= 0.878 USER MOD Single : A 19 SER OG : rot -81:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0.384) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.975 (180deg=-0.704!) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.27 (180deg=0.797) USER MOD Single : A 32 GLN : amide:sc= 2.18 K(o=2.2,f=-0.14) USER MOD Single : A 38 TYR OH : rot 31:sc= 1.34 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.027) USER MOD Single : A 48 SER OG : rot -93:sc= 1.34 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -71:sc= 1.13 USER MOD Single : A 59 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.057) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0.807 (180deg=0.722) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0765) USER MOD Single : A 65 SER OG : rot 80:sc= 0.737 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= -0.0669 (180deg=-0.907) USER MOD Single : A 75 TYR OH : rot -163:sc= 0.88 USER MOD Single : A 77 SER OG : rot -39:sc= 0.888 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.996 (180deg=0.994) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.568 -12.685 -10.095 1.00 0.00 N ATOM 2 CA ALA A 1 -1.533 -11.720 -9.687 1.00 0.00 C ATOM 3 C ALA A 1 -1.432 -11.765 -8.168 1.00 0.00 C ATOM 4 O ALA A 1 -2.337 -12.333 -7.560 1.00 0.00 O ATOM 5 CB ALA A 1 -1.880 -10.306 -10.165 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.126 -13.467 -10.619 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.045 -13.060 -9.250 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.265 -12.210 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.577 -11.984 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.099 -9.614 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.955 -10.298 -11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.833 -9.999 -9.733 1.00 0.00 H new ATOM 13 N ASP A 2 -0.380 -11.196 -7.576 1.00 0.00 N ATOM 14 CA ASP A 2 -0.174 -11.181 -6.136 1.00 0.00 C ATOM 15 C ASP A 2 0.604 -9.925 -5.763 1.00 0.00 C ATOM 16 O ASP A 2 1.144 -9.250 -6.643 1.00 0.00 O ATOM 17 CB ASP A 2 0.611 -12.426 -5.695 1.00 0.00 C ATOM 18 CG ASP A 2 2.089 -12.316 -6.070 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.412 -12.696 -7.215 1.00 0.00 O ATOM 20 OD2 ASP A 2 2.855 -11.804 -5.222 1.00 0.00 O ATOM 0 H ASP A 2 0.361 -10.727 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.141 -11.185 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.516 -12.554 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.181 -13.313 -6.161 1.00 0.00 H new ATOM 25 N GLY A 3 0.668 -9.662 -4.457 1.00 0.00 N ATOM 26 CA GLY A 3 1.387 -8.568 -3.824 1.00 0.00 C ATOM 27 C GLY A 3 2.633 -8.105 -4.580 1.00 0.00 C ATOM 28 O GLY A 3 2.770 -6.922 -4.881 1.00 0.00 O ATOM 0 H GLY A 3 0.187 -10.248 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.710 -7.721 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.680 -8.876 -2.820 1.00 0.00 H new ATOM 32 N ALA A 4 3.543 -9.027 -4.903 1.00 0.00 N ATOM 33 CA ALA A 4 4.784 -8.679 -5.582 1.00 0.00 C ATOM 34 C ALA A 4 4.546 -8.054 -6.957 1.00 0.00 C ATOM 35 O ALA A 4 5.207 -7.081 -7.316 1.00 0.00 O ATOM 36 CB ALA A 4 5.688 -9.909 -5.680 1.00 0.00 C ATOM 0 H ALA A 4 3.439 -10.022 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 4 5.284 -7.917 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.614 -9.641 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.917 -10.273 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.178 -10.691 -6.243 1.00 0.00 H new ATOM 42 N ALA A 5 3.610 -8.605 -7.732 1.00 0.00 N ATOM 43 CA ALA A 5 3.293 -8.064 -9.044 1.00 0.00 C ATOM 44 C ALA A 5 2.631 -6.701 -8.861 1.00 0.00 C ATOM 45 O ALA A 5 3.038 -5.714 -9.471 1.00 0.00 O ATOM 46 CB ALA A 5 2.386 -9.033 -9.809 1.00 0.00 C ATOM 0 H ALA A 5 3.062 -9.424 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 5 4.202 -7.938 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.155 -8.618 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.895 -9.989 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.461 -9.183 -9.252 1.00 0.00 H new ATOM 52 N LEU A 6 1.616 -6.650 -7.995 1.00 0.00 N ATOM 53 CA LEU A 6 0.865 -5.471 -7.664 1.00 0.00 C ATOM 54 C LEU A 6 1.779 -4.303 -7.311 1.00 0.00 C ATOM 55 O LEU A 6 1.596 -3.193 -7.819 1.00 0.00 O ATOM 56 CB LEU A 6 0.023 -5.857 -6.452 1.00 0.00 C ATOM 57 CG LEU A 6 -1.387 -6.292 -6.824 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.491 -7.616 -7.586 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.166 -6.384 -5.515 1.00 0.00 C ATOM 0 H LEU A 6 1.293 -7.476 -7.491 1.00 0.00 H new ATOM 0 HA LEU A 6 0.259 -5.144 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.518 -6.667 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.032 -5.009 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.788 -5.556 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.538 -7.831 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.936 -7.542 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.073 -8.419 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.190 -6.694 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.691 -7.114 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.173 -5.409 -5.027 1.00 0.00 H new ATOM 71 N TYR A 7 2.752 -4.573 -6.435 1.00 0.00 N ATOM 72 CA TYR A 7 3.672 -3.586 -5.903 1.00 0.00 C ATOM 73 C TYR A 7 4.286 -2.678 -6.970 1.00 0.00 C ATOM 74 O TYR A 7 4.562 -1.511 -6.691 1.00 0.00 O ATOM 75 CB TYR A 7 4.750 -4.252 -5.044 1.00 0.00 C ATOM 76 CG TYR A 7 5.563 -3.218 -4.300 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.940 -2.480 -3.276 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.769 -2.755 -4.855 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.508 -1.280 -2.825 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.330 -1.550 -4.406 1.00 0.00 C ATOM 81 CZ TYR A 7 6.711 -0.821 -3.377 1.00 0.00 C ATOM 82 OH TYR A 7 7.203 0.387 -2.991 1.00 0.00 O ATOM 0 H TYR A 7 2.918 -5.512 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 7 3.078 -2.928 -5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.284 -4.934 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.406 -4.850 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.021 -2.839 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.263 -3.327 -5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.017 -0.709 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.241 -1.181 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 7 7.922 0.657 -3.600 1.00 0.00 H new ATOM 92 N LYS A 8 4.490 -3.191 -8.188 1.00 0.00 N ATOM 93 CA LYS A 8 5.030 -2.403 -9.287 1.00 0.00 C ATOM 94 C LYS A 8 4.290 -1.064 -9.417 1.00 0.00 C ATOM 95 O LYS A 8 4.910 -0.025 -9.626 1.00 0.00 O ATOM 96 CB LYS A 8 4.951 -3.207 -10.591 1.00 0.00 C ATOM 97 CG LYS A 8 5.859 -4.445 -10.544 1.00 0.00 C ATOM 98 CD LYS A 8 5.635 -5.372 -11.746 1.00 0.00 C ATOM 99 CE LYS A 8 5.965 -4.692 -13.081 1.00 0.00 C ATOM 100 NZ LYS A 8 5.888 -5.647 -14.200 1.00 0.00 N ATOM 0 H LYS A 8 4.285 -4.160 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 8 6.076 -2.179 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.921 -3.516 -10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.241 -2.573 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.902 -4.128 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.672 -4.996 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.252 -6.263 -11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.596 -5.703 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.272 -3.869 -13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.965 -4.262 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.116 -5.159 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.567 -6.419 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.926 -6.038 -14.257 1.00 0.00 H new ATOM 114 N SER A 9 2.968 -1.083 -9.234 1.00 0.00 N ATOM 115 CA SER A 9 2.111 0.090 -9.345 1.00 0.00 C ATOM 116 C SER A 9 2.424 1.183 -8.313 1.00 0.00 C ATOM 117 O SER A 9 2.043 2.333 -8.508 1.00 0.00 O ATOM 118 CB SER A 9 0.649 -0.350 -9.192 1.00 0.00 C ATOM 119 OG SER A 9 0.427 -1.618 -9.784 1.00 0.00 O ATOM 0 H SER A 9 2.457 -1.934 -9.000 1.00 0.00 H new ATOM 0 HA SER A 9 2.297 0.529 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.388 -0.390 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.005 0.389 -9.654 1.00 0.00 H new ATOM 0 HG SER A 9 0.644 -2.323 -9.139 1.00 0.00 H new ATOM 125 N CYS A 10 3.053 0.820 -7.192 1.00 0.00 N ATOM 126 CA CYS A 10 3.355 1.715 -6.078 1.00 0.00 C ATOM 127 C CYS A 10 4.714 2.399 -6.264 1.00 0.00 C ATOM 128 O CYS A 10 4.983 3.459 -5.679 1.00 0.00 O ATOM 129 CB CYS A 10 3.333 0.923 -4.765 1.00 0.00 C ATOM 130 SG CYS A 10 2.190 -0.482 -4.628 1.00 0.00 S ATOM 0 H CYS A 10 3.375 -0.135 -7.032 1.00 0.00 H new ATOM 0 HA CYS A 10 2.595 2.495 -6.046 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.341 0.551 -4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.101 1.620 -3.960 1.00 0.00 H new ATOM 135 N ILE A 11 5.594 1.768 -7.052 1.00 0.00 N ATOM 136 CA ILE A 11 6.889 2.336 -7.396 1.00 0.00 C ATOM 137 C ILE A 11 6.619 3.717 -7.994 1.00 0.00 C ATOM 138 O ILE A 11 5.635 3.911 -8.704 1.00 0.00 O ATOM 139 CB ILE A 11 7.646 1.439 -8.392 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.826 0.015 -7.830 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.016 2.044 -8.740 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.522 -0.943 -8.802 1.00 0.00 C ATOM 0 H ILE A 11 5.422 0.851 -7.465 1.00 0.00 H new ATOM 0 HA ILE A 11 7.522 2.413 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 11 7.048 1.378 -9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.404 0.068 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.848 -0.391 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.533 1.393 -9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.876 3.027 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.612 2.141 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.615 -1.926 -8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.933 -1.025 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.514 -0.560 -9.043 1.00 0.00 H new ATOM 154 N GLY A 12 7.474 4.687 -7.677 1.00 0.00 N ATOM 155 CA GLY A 12 7.280 6.060 -8.101 1.00 0.00 C ATOM 156 C GLY A 12 6.808 6.872 -6.904 1.00 0.00 C ATOM 157 O GLY A 12 7.307 7.975 -6.699 1.00 0.00 O ATOM 0 H GLY A 12 8.316 4.538 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.210 6.470 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.546 6.108 -8.905 1.00 0.00 H new ATOM 161 N CYS A 13 5.886 6.338 -6.088 1.00 0.00 N ATOM 162 CA CYS A 13 5.449 7.043 -4.896 1.00 0.00 C ATOM 163 C CYS A 13 6.236 6.515 -3.701 1.00 0.00 C ATOM 164 O CYS A 13 6.677 7.292 -2.859 1.00 0.00 O ATOM 165 CB CYS A 13 3.942 6.873 -4.709 1.00 0.00 C ATOM 166 SG CYS A 13 2.960 8.123 -5.593 1.00 0.00 S ATOM 0 H CYS A 13 5.440 5.433 -6.237 1.00 0.00 H new ATOM 0 HA CYS A 13 5.641 8.112 -4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.650 5.881 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.707 6.922 -3.646 1.00 0.00 H new ATOM 171 N HIS A 14 6.438 5.195 -3.655 1.00 0.00 N ATOM 172 CA HIS A 14 7.050 4.500 -2.536 1.00 0.00 C ATOM 173 C HIS A 14 8.491 4.025 -2.760 1.00 0.00 C ATOM 174 O HIS A 14 9.260 3.892 -1.804 1.00 0.00 O ATOM 175 CB HIS A 14 6.119 3.330 -2.275 1.00 0.00 C ATOM 176 CG HIS A 14 4.859 3.764 -1.592 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.862 4.256 -0.301 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.571 3.911 -2.035 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.591 4.537 0.013 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.734 4.215 -0.957 1.00 0.00 N ATOM 0 H HIS A 14 6.171 4.572 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 14 7.158 5.182 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.872 2.844 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.630 2.589 -1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.677 4.381 0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.251 3.808 -3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.291 4.978 0.952 1.00 0.00 H new ATOM 188 N GLY A 15 8.858 3.752 -4.011 1.00 0.00 N ATOM 189 CA GLY A 15 10.188 3.271 -4.372 1.00 0.00 C ATOM 190 C GLY A 15 10.175 1.753 -4.546 1.00 0.00 C ATOM 191 O GLY A 15 9.112 1.180 -4.764 1.00 0.00 O ATOM 0 H GLY A 15 8.233 3.860 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.515 3.747 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.905 3.549 -3.599 1.00 0.00 H new ATOM 195 N ALA A 16 11.335 1.096 -4.455 1.00 0.00 N ATOM 196 CA ALA A 16 11.453 -0.347 -4.663 1.00 0.00 C ATOM 197 C ALA A 16 10.932 -1.162 -3.474 1.00 0.00 C ATOM 198 O ALA A 16 10.210 -2.142 -3.653 1.00 0.00 O ATOM 199 CB ALA A 16 12.915 -0.698 -4.954 1.00 0.00 C ATOM 0 H ALA A 16 12.220 1.553 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 16 10.827 -0.611 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.007 -1.773 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.244 -0.172 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.536 -0.399 -4.109 1.00 0.00 H new ATOM 205 N ASP A 17 11.334 -0.782 -2.259 1.00 0.00 N ATOM 206 CA ASP A 17 10.932 -1.464 -1.036 1.00 0.00 C ATOM 207 C ASP A 17 9.586 -0.918 -0.553 1.00 0.00 C ATOM 208 O ASP A 17 8.587 -1.631 -0.540 1.00 0.00 O ATOM 209 CB ASP A 17 12.046 -1.395 0.030 1.00 0.00 C ATOM 210 CG ASP A 17 12.510 0.005 0.438 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.273 0.951 -0.348 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.089 0.120 1.537 1.00 0.00 O ATOM 0 H ASP A 17 11.952 0.014 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 17 10.788 -2.525 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.697 -1.913 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.910 -1.947 -0.342 1.00 0.00 H new ATOM 217 N GLY A 18 9.577 0.359 -0.173 1.00 0.00 N ATOM 218 CA GLY A 18 8.422 1.099 0.302 1.00 0.00 C ATOM 219 C GLY A 18 8.868 2.187 1.276 1.00 0.00 C ATOM 220 O GLY A 18 8.236 2.395 2.311 1.00 0.00 O ATOM 0 H GLY A 18 10.422 0.930 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.894 1.546 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.723 0.423 0.794 1.00 0.00 H new ATOM 224 N SER A 19 9.967 2.876 0.956 1.00 0.00 N ATOM 225 CA SER A 19 10.612 3.827 1.847 1.00 0.00 C ATOM 226 C SER A 19 10.301 5.285 1.521 1.00 0.00 C ATOM 227 O SER A 19 10.168 6.098 2.433 1.00 0.00 O ATOM 228 CB SER A 19 12.125 3.596 1.782 1.00 0.00 C ATOM 229 OG SER A 19 12.555 3.546 0.433 1.00 0.00 O ATOM 0 H SER A 19 10.436 2.783 0.055 1.00 0.00 H new ATOM 0 HA SER A 19 10.220 3.653 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.645 4.397 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.380 2.664 2.287 1.00 0.00 H new ATOM 0 HG SER A 19 12.387 2.652 0.069 1.00 0.00 H new ATOM 235 N LYS A 20 10.233 5.639 0.236 1.00 0.00 N ATOM 236 CA LYS A 20 10.105 6.983 -0.217 1.00 0.00 C ATOM 237 C LYS A 20 8.853 7.680 0.313 1.00 0.00 C ATOM 238 O LYS A 20 7.756 7.121 0.305 1.00 0.00 O ATOM 239 CB LYS A 20 10.157 6.916 -1.749 1.00 0.00 C ATOM 240 CG LYS A 20 10.572 8.281 -2.241 1.00 0.00 C ATOM 241 CD LYS A 20 10.829 8.364 -3.750 1.00 0.00 C ATOM 242 CE LYS A 20 9.589 8.082 -4.604 1.00 0.00 C ATOM 243 NZ LYS A 20 8.481 9.000 -4.292 1.00 0.00 N ATOM 0 H LYS A 20 10.269 4.960 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 20 10.915 7.601 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.867 6.157 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.184 6.640 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.795 8.999 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.477 8.583 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.206 9.358 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.611 7.653 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.848 8.172 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.264 7.054 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.931 9.186 -5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.865 8.569 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.864 9.895 -3.927 1.00 0.00 H new ATOM 257 N ALA A 21 9.042 8.919 0.774 1.00 0.00 N ATOM 258 CA ALA A 21 7.957 9.784 1.191 1.00 0.00 C ATOM 259 C ALA A 21 7.195 10.148 -0.083 1.00 0.00 C ATOM 260 O ALA A 21 7.767 10.754 -0.988 1.00 0.00 O ATOM 261 CB ALA A 21 8.527 11.022 1.889 1.00 0.00 C ATOM 0 H ALA A 21 9.964 9.345 0.866 1.00 0.00 H new ATOM 0 HA ALA A 21 7.289 9.302 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.710 11.672 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.102 10.715 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.176 11.562 1.200 1.00 0.00 H new ATOM 267 N ALA A 22 5.941 9.708 -0.174 1.00 0.00 N ATOM 268 CA ALA A 22 5.092 9.916 -1.331 1.00 0.00 C ATOM 269 C ALA A 22 4.504 11.331 -1.316 1.00 0.00 C ATOM 270 O ALA A 22 5.238 12.318 -1.302 1.00 0.00 O ATOM 271 CB ALA A 22 4.050 8.793 -1.344 1.00 0.00 C ATOM 0 H ALA A 22 5.483 9.187 0.574 1.00 0.00 H new ATOM 0 HA ALA A 22 5.651 9.861 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.392 8.918 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.555 7.829 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.461 8.832 -0.427 1.00 0.00 H new ATOM 277 N MET A 23 3.175 11.449 -1.343 1.00 0.00 N ATOM 278 CA MET A 23 2.503 12.738 -1.278 1.00 0.00 C ATOM 279 C MET A 23 2.698 13.328 0.123 1.00 0.00 C ATOM 280 O MET A 23 1.837 13.187 0.991 1.00 0.00 O ATOM 281 CB MET A 23 1.017 12.599 -1.639 1.00 0.00 C ATOM 282 CG MET A 23 0.803 12.134 -3.082 1.00 0.00 C ATOM 283 SD MET A 23 -0.936 11.984 -3.568 1.00 0.00 S ATOM 284 CE MET A 23 -1.312 13.705 -3.967 1.00 0.00 C ATOM 0 H MET A 23 2.540 10.653 -1.410 1.00 0.00 H new ATOM 0 HA MET A 23 2.939 13.419 -2.009 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.546 11.889 -0.959 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.520 13.558 -1.493 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.297 12.836 -3.754 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.290 11.168 -3.216 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.351 13.786 -4.286 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.154 14.326 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.658 14.043 -4.771 1.00 0.00 H new ATOM 294 N GLY A 24 3.839 13.982 0.337 1.00 0.00 N ATOM 295 CA GLY A 24 4.207 14.577 1.610 1.00 0.00 C ATOM 296 C GLY A 24 4.897 13.540 2.493 1.00 0.00 C ATOM 297 O GLY A 24 5.271 12.466 2.021 1.00 0.00 O ATOM 0 H GLY A 24 4.544 14.113 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.871 15.426 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.318 14.960 2.112 1.00 0.00 H new ATOM 301 N SER A 25 5.058 13.861 3.780 1.00 0.00 N ATOM 302 CA SER A 25 5.725 13.051 4.791 1.00 0.00 C ATOM 303 C SER A 25 4.950 11.779 5.162 1.00 0.00 C ATOM 304 O SER A 25 4.609 11.568 6.324 1.00 0.00 O ATOM 305 CB SER A 25 5.930 13.940 6.021 1.00 0.00 C ATOM 306 OG SER A 25 6.342 15.232 5.607 1.00 0.00 O ATOM 0 H SER A 25 4.706 14.740 4.160 1.00 0.00 H new ATOM 0 HA SER A 25 6.675 12.698 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.004 14.008 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.680 13.501 6.679 1.00 0.00 H new ATOM 0 HG SER A 25 6.472 15.802 6.394 1.00 0.00 H new ATOM 312 N ALA A 26 4.674 10.931 4.175 1.00 0.00 N ATOM 313 CA ALA A 26 3.971 9.675 4.350 1.00 0.00 C ATOM 314 C ALA A 26 4.800 8.727 5.214 1.00 0.00 C ATOM 315 O ALA A 26 6.011 8.622 5.020 1.00 0.00 O ATOM 316 CB ALA A 26 3.743 9.048 2.972 1.00 0.00 C ATOM 0 H ALA A 26 4.943 11.108 3.207 1.00 0.00 H new ATOM 0 HA ALA A 26 3.016 9.853 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.215 8.101 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.148 9.724 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.704 8.871 2.489 1.00 0.00 H new ATOM 322 N LYS A 27 4.160 8.030 6.155 1.00 0.00 N ATOM 323 CA LYS A 27 4.767 7.018 6.972 1.00 0.00 C ATOM 324 C LYS A 27 5.379 5.963 6.045 1.00 0.00 C ATOM 325 O LYS A 27 4.636 5.370 5.261 1.00 0.00 O ATOM 326 CB LYS A 27 3.618 6.401 7.769 1.00 0.00 C ATOM 327 CG LYS A 27 3.228 7.224 9.000 1.00 0.00 C ATOM 328 CD LYS A 27 1.907 6.753 9.634 1.00 0.00 C ATOM 329 CE LYS A 27 2.025 5.534 10.563 1.00 0.00 C ATOM 330 NZ LYS A 27 2.328 4.281 9.847 1.00 0.00 N ATOM 0 H LYS A 27 3.172 8.172 6.364 1.00 0.00 H new ATOM 0 HA LYS A 27 5.546 7.407 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.749 6.296 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.902 5.397 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.025 7.162 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.137 8.273 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.479 7.581 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.204 6.515 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.807 5.722 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.092 5.413 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.930 3.476 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.910 4.315 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.359 4.167 9.768 1.00 0.00 H new ATOM 344 N PRO A 28 6.701 5.722 6.091 1.00 0.00 N ATOM 345 CA PRO A 28 7.324 4.704 5.265 1.00 0.00 C ATOM 346 C PRO A 28 6.601 3.372 5.436 1.00 0.00 C ATOM 347 O PRO A 28 6.236 3.000 6.549 1.00 0.00 O ATOM 348 CB PRO A 28 8.781 4.630 5.724 1.00 0.00 C ATOM 349 CG PRO A 28 9.044 6.047 6.233 1.00 0.00 C ATOM 350 CD PRO A 28 7.705 6.436 6.862 1.00 0.00 C ATOM 0 HA PRO A 28 7.271 4.943 4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.922 3.885 6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.450 4.362 4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.855 6.071 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.322 6.722 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.667 6.154 7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.546 7.513 6.815 1.00 0.00 H new ATOM 358 N VAL A 29 6.368 2.675 4.328 1.00 0.00 N ATOM 359 CA VAL A 29 5.607 1.438 4.293 1.00 0.00 C ATOM 360 C VAL A 29 6.526 0.262 4.619 1.00 0.00 C ATOM 361 O VAL A 29 6.116 -0.705 5.260 1.00 0.00 O ATOM 362 CB VAL A 29 4.937 1.317 2.916 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.828 0.267 2.947 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.283 2.641 2.515 1.00 0.00 C ATOM 0 H VAL A 29 6.712 2.963 3.412 1.00 0.00 H new ATOM 0 HA VAL A 29 4.819 1.435 5.046 1.00 0.00 H new ATOM 0 HB VAL A 29 5.715 1.038 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.366 0.197 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.250 -0.700 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.075 0.554 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.814 2.534 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.527 2.911 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.041 3.423 2.470 1.00 0.00 H new ATOM 374 N LYS A 30 7.781 0.359 4.174 1.00 0.00 N ATOM 375 CA LYS A 30 8.825 -0.608 4.448 1.00 0.00 C ATOM 376 C LYS A 30 8.802 -0.948 5.945 1.00 0.00 C ATOM 377 O LYS A 30 9.035 -0.089 6.793 1.00 0.00 O ATOM 378 CB LYS A 30 10.170 -0.031 3.977 1.00 0.00 C ATOM 379 CG LYS A 30 11.392 -0.824 4.476 1.00 0.00 C ATOM 380 CD LYS A 30 12.128 -0.056 5.585 1.00 0.00 C ATOM 381 CE LYS A 30 13.202 -0.917 6.261 1.00 0.00 C ATOM 382 NZ LYS A 30 14.232 -1.366 5.311 1.00 0.00 N ATOM 0 H LYS A 30 8.099 1.138 3.597 1.00 0.00 H new ATOM 0 HA LYS A 30 8.667 -1.539 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.184 -0.007 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.253 1.001 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.071 -1.796 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.072 -1.012 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.591 0.836 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.409 0.280 6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.672 -0.346 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.732 -1.786 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.029 -1.782 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.827 -2.079 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.569 -0.554 4.755 1.00 0.00 H new ATOM 396 N GLY A 31 8.452 -2.193 6.255 1.00 0.00 N ATOM 397 CA GLY A 31 8.457 -2.740 7.592 1.00 0.00 C ATOM 398 C GLY A 31 7.521 -2.099 8.626 1.00 0.00 C ATOM 399 O GLY A 31 7.878 -2.140 9.801 1.00 0.00 O ATOM 0 H GLY A 31 8.148 -2.866 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.206 -3.799 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.475 -2.678 7.976 1.00 0.00 H new ATOM 403 N GLN A 32 6.341 -1.543 8.280 1.00 0.00 N ATOM 404 CA GLN A 32 5.433 -1.100 9.365 1.00 0.00 C ATOM 405 C GLN A 32 5.093 -2.320 10.232 1.00 0.00 C ATOM 406 O GLN A 32 5.167 -2.316 11.457 1.00 0.00 O ATOM 407 CB GLN A 32 4.141 -0.407 8.885 1.00 0.00 C ATOM 408 CG GLN A 32 4.360 0.557 7.722 1.00 0.00 C ATOM 409 CD GLN A 32 3.207 1.548 7.500 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.048 1.191 7.682 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.508 2.775 7.066 1.00 0.00 N ATOM 0 H GLN A 32 6.008 -1.395 7.327 1.00 0.00 H new ATOM 0 HA GLN A 32 5.963 -0.335 9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.421 -1.168 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.700 0.138 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.278 1.118 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.509 -0.020 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.482 3.041 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.763 3.446 6.876 1.00 0.00 H new ATOM 420 N GLY A 33 4.729 -3.366 9.502 1.00 0.00 N ATOM 421 CA GLY A 33 4.448 -4.732 9.934 1.00 0.00 C ATOM 422 C GLY A 33 3.265 -5.285 9.166 1.00 0.00 C ATOM 423 O GLY A 33 2.334 -4.552 8.878 1.00 0.00 O ATOM 0 H GLY A 33 4.611 -3.271 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.323 -5.361 9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.238 -4.748 11.003 1.00 0.00 H new ATOM 427 N ALA A 34 3.292 -6.569 8.827 1.00 0.00 N ATOM 428 CA ALA A 34 2.274 -7.250 8.046 1.00 0.00 C ATOM 429 C ALA A 34 0.837 -6.954 8.475 1.00 0.00 C ATOM 430 O ALA A 34 0.004 -6.676 7.621 1.00 0.00 O ATOM 431 CB ALA A 34 2.554 -8.746 8.100 1.00 0.00 C ATOM 0 H ALA A 34 4.056 -7.186 9.102 1.00 0.00 H new ATOM 0 HA ALA A 34 2.340 -6.868 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.801 -9.278 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.541 -8.947 7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.521 -9.085 9.135 1.00 0.00 H new ATOM 437 N GLU A 35 0.525 -7.033 9.770 1.00 0.00 N ATOM 438 CA GLU A 35 -0.823 -6.747 10.250 1.00 0.00 C ATOM 439 C GLU A 35 -1.161 -5.271 10.008 1.00 0.00 C ATOM 440 O GLU A 35 -2.225 -4.953 9.475 1.00 0.00 O ATOM 441 CB GLU A 35 -1.018 -7.174 11.720 1.00 0.00 C ATOM 442 CG GLU A 35 0.235 -7.308 12.603 1.00 0.00 C ATOM 443 CD GLU A 35 0.984 -5.993 12.776 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.825 -5.710 11.896 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.682 -5.283 13.759 1.00 0.00 O ATOM 0 H GLU A 35 1.187 -7.292 10.501 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.531 -7.348 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.684 -6.452 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.534 -8.134 11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.057 -7.685 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.905 -8.047 12.163 1.00 0.00 H new ATOM 452 N GLU A 36 -0.235 -4.390 10.399 1.00 0.00 N ATOM 453 CA GLU A 36 -0.304 -2.946 10.236 1.00 0.00 C ATOM 454 C GLU A 36 -0.675 -2.654 8.780 1.00 0.00 C ATOM 455 O GLU A 36 -1.723 -2.099 8.458 1.00 0.00 O ATOM 456 CB GLU A 36 1.098 -2.390 10.580 1.00 0.00 C ATOM 457 CG GLU A 36 1.144 -1.153 11.468 1.00 0.00 C ATOM 458 CD GLU A 36 0.643 0.119 10.787 1.00 0.00 C ATOM 459 OE1 GLU A 36 -0.506 0.087 10.299 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.410 1.107 10.788 1.00 0.00 O ATOM 0 H GLU A 36 0.625 -4.687 10.861 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.049 -2.482 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.667 -3.181 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.611 -2.158 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.544 -1.336 12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.170 -0.995 11.801 1.00 0.00 H new ATOM 467 N LEU A 37 0.213 -3.107 7.903 1.00 0.00 N ATOM 468 CA LEU A 37 0.144 -2.984 6.473 1.00 0.00 C ATOM 469 C LEU A 37 -1.191 -3.521 5.989 1.00 0.00 C ATOM 470 O LEU A 37 -1.975 -2.748 5.454 1.00 0.00 O ATOM 471 CB LEU A 37 1.342 -3.727 5.869 1.00 0.00 C ATOM 472 CG LEU A 37 2.655 -2.953 6.050 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.851 -3.855 5.739 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.692 -1.749 5.116 1.00 0.00 C ATOM 0 H LEU A 37 1.053 -3.602 8.205 1.00 0.00 H new ATOM 0 HA LEU A 37 0.201 -1.943 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.433 -4.707 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.165 -3.896 4.807 1.00 0.00 H new ATOM 0 HG LEU A 37 2.710 -2.616 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.775 -3.292 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.847 -4.711 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.784 -4.206 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.629 -1.209 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.618 -2.088 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.855 -1.088 5.342 1.00 0.00 H new ATOM 486 N TYR A 38 -1.465 -4.815 6.178 1.00 0.00 N ATOM 487 CA TYR A 38 -2.706 -5.444 5.751 1.00 0.00 C ATOM 488 C TYR A 38 -3.900 -4.545 6.041 1.00 0.00 C ATOM 489 O TYR A 38 -4.666 -4.236 5.134 1.00 0.00 O ATOM 490 CB TYR A 38 -2.882 -6.827 6.385 1.00 0.00 C ATOM 491 CG TYR A 38 -4.206 -7.472 6.019 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.464 -7.825 4.680 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.238 -7.554 6.972 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.730 -8.312 4.309 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.508 -8.023 6.595 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.749 -8.418 5.270 1.00 0.00 C ATOM 497 OH TYR A 38 -7.970 -8.916 4.927 1.00 0.00 O ATOM 0 H TYR A 38 -0.820 -5.458 6.638 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.650 -5.588 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.066 -7.475 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.813 -6.737 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.688 -7.721 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.054 -7.256 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.919 -8.604 3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.300 -8.080 7.327 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.865 -9.570 4.205 1.00 0.00 H new ATOM 507 N LYS A 39 -4.025 -4.097 7.287 1.00 0.00 N ATOM 508 CA LYS A 39 -5.113 -3.223 7.688 1.00 0.00 C ATOM 509 C LYS A 39 -5.134 -1.917 6.891 1.00 0.00 C ATOM 510 O LYS A 39 -6.199 -1.480 6.473 1.00 0.00 O ATOM 511 CB LYS A 39 -5.024 -2.947 9.191 1.00 0.00 C ATOM 512 CG LYS A 39 -5.387 -4.196 10.006 1.00 0.00 C ATOM 513 CD LYS A 39 -4.987 -4.057 11.481 1.00 0.00 C ATOM 514 CE LYS A 39 -5.718 -2.903 12.176 1.00 0.00 C ATOM 515 NZ LYS A 39 -5.401 -2.861 13.614 1.00 0.00 N ATOM 0 H LYS A 39 -3.377 -4.330 8.040 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.051 -3.733 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.014 -2.624 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.696 -2.130 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.460 -4.375 9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.891 -5.066 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.204 -4.989 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.911 -3.896 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.436 -1.958 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.794 -3.017 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.910 -2.070 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.692 -3.754 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.377 -2.729 13.740 1.00 0.00 H new ATOM 529 N LYS A 40 -3.992 -1.270 6.684 1.00 0.00 N ATOM 530 CA LYS A 40 -3.895 -0.043 5.926 1.00 0.00 C ATOM 531 C LYS A 40 -4.160 -0.257 4.427 1.00 0.00 C ATOM 532 O LYS A 40 -4.881 0.551 3.844 1.00 0.00 O ATOM 533 CB LYS A 40 -2.490 0.500 6.157 1.00 0.00 C ATOM 534 CG LYS A 40 -2.171 0.916 7.602 1.00 0.00 C ATOM 535 CD LYS A 40 -2.832 2.225 8.039 1.00 0.00 C ATOM 536 CE LYS A 40 -2.334 2.588 9.444 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.946 3.831 9.940 1.00 0.00 N ATOM 0 H LYS A 40 -3.096 -1.595 7.048 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.656 0.662 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.771 -0.259 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.341 1.363 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.488 0.120 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.091 1.014 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.591 3.022 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.917 2.118 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.560 1.773 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.250 2.699 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.298 4.294 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.132 4.469 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.841 3.609 10.421 1.00 0.00 H new ATOM 551 N MET A 41 -3.609 -1.288 3.761 1.00 0.00 N ATOM 552 CA MET A 41 -3.921 -1.501 2.364 1.00 0.00 C ATOM 553 C MET A 41 -5.395 -1.872 2.242 1.00 0.00 C ATOM 554 O MET A 41 -6.070 -1.393 1.339 1.00 0.00 O ATOM 555 CB MET A 41 -3.012 -2.522 1.666 1.00 0.00 C ATOM 556 CG MET A 41 -2.128 -3.523 2.426 1.00 0.00 C ATOM 557 SD MET A 41 -0.517 -2.876 2.913 1.00 0.00 S ATOM 558 CE MET A 41 0.357 -2.891 1.346 1.00 0.00 C ATOM 0 H MET A 41 -2.963 -1.964 4.168 1.00 0.00 H new ATOM 0 HA MET A 41 -3.726 -0.567 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.656 -3.113 1.015 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.345 -1.950 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.659 -3.852 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.978 -4.404 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.083 -2.078 1.326 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.875 -3.843 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.355 -2.761 0.531 1.00 0.00 H new ATOM 568 N LYS A 42 -5.892 -2.717 3.149 1.00 0.00 N ATOM 569 CA LYS A 42 -7.316 -3.044 3.227 1.00 0.00 C ATOM 570 C LYS A 42 -8.090 -1.732 3.380 1.00 0.00 C ATOM 571 O LYS A 42 -9.100 -1.515 2.724 1.00 0.00 O ATOM 572 CB LYS A 42 -7.586 -3.983 4.413 1.00 0.00 C ATOM 573 CG LYS A 42 -9.037 -4.478 4.508 1.00 0.00 C ATOM 574 CD LYS A 42 -9.412 -5.408 3.346 1.00 0.00 C ATOM 575 CE LYS A 42 -10.794 -6.038 3.551 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.865 -5.025 3.566 1.00 0.00 N ATOM 0 H LYS A 42 -5.320 -3.192 3.847 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.638 -3.562 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.924 -4.846 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.330 -3.465 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.178 -5.005 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.711 -3.621 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.403 -4.846 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.663 -6.195 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.986 -6.757 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.805 -6.591 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.788 -5.497 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.724 -4.383 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.840 -4.480 2.681 1.00 0.00 H new ATOM 590 N GLY A 43 -7.578 -0.868 4.255 1.00 0.00 N ATOM 591 CA GLY A 43 -7.991 0.486 4.536 1.00 0.00 C ATOM 592 C GLY A 43 -8.272 1.242 3.245 1.00 0.00 C ATOM 593 O GLY A 43 -9.409 1.605 2.933 1.00 0.00 O ATOM 0 H GLY A 43 -6.785 -1.136 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.885 0.477 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.213 0.999 5.102 1.00 0.00 H new ATOM 597 N TYR A 44 -7.190 1.457 2.499 1.00 0.00 N ATOM 598 CA TYR A 44 -7.208 2.182 1.243 1.00 0.00 C ATOM 599 C TYR A 44 -8.120 1.483 0.237 1.00 0.00 C ATOM 600 O TYR A 44 -8.971 2.137 -0.359 1.00 0.00 O ATOM 601 CB TYR A 44 -5.775 2.387 0.720 1.00 0.00 C ATOM 602 CG TYR A 44 -4.973 3.453 1.449 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.498 4.751 1.572 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.660 3.199 1.893 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.825 5.714 2.340 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.930 4.217 2.537 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.553 5.430 2.863 1.00 0.00 C ATOM 608 OH TYR A 44 -2.871 6.378 3.569 1.00 0.00 O ATOM 0 H TYR A 44 -6.262 1.124 2.761 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.626 3.176 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.240 1.440 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.824 2.649 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.421 5.008 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.215 2.227 1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.285 6.673 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.889 4.063 2.780 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.047 6.262 4.526 1.00 0.00 H new ATOM 618 N ALA A 45 -7.966 0.171 0.057 1.00 0.00 N ATOM 619 CA ALA A 45 -8.780 -0.618 -0.860 1.00 0.00 C ATOM 620 C ALA A 45 -10.268 -0.505 -0.536 1.00 0.00 C ATOM 621 O ALA A 45 -11.088 -0.449 -1.444 1.00 0.00 O ATOM 622 CB ALA A 45 -8.326 -2.080 -0.831 1.00 0.00 C ATOM 0 H ALA A 45 -7.263 -0.378 0.551 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.640 -0.221 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.938 -2.665 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.281 -2.142 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.436 -2.475 0.179 1.00 0.00 H new ATOM 628 N ASP A 46 -10.633 -0.480 0.746 1.00 0.00 N ATOM 629 CA ASP A 46 -12.018 -0.355 1.156 1.00 0.00 C ATOM 630 C ASP A 46 -12.488 1.070 0.878 1.00 0.00 C ATOM 631 O ASP A 46 -13.600 1.275 0.400 1.00 0.00 O ATOM 632 CB ASP A 46 -12.143 -0.718 2.637 1.00 0.00 C ATOM 633 CG ASP A 46 -13.568 -0.518 3.130 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.385 -1.437 2.909 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.803 0.553 3.730 1.00 0.00 O ATOM 0 H ASP A 46 -9.974 -0.546 1.522 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.652 -1.039 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.845 -1.756 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.462 -0.103 3.224 1.00 0.00 H new ATOM 640 N GLY A 47 -11.633 2.048 1.189 1.00 0.00 N ATOM 641 CA GLY A 47 -11.909 3.462 0.992 1.00 0.00 C ATOM 642 C GLY A 47 -12.173 4.165 2.321 1.00 0.00 C ATOM 643 O GLY A 47 -12.144 5.391 2.374 1.00 0.00 O ATOM 0 H GLY A 47 -10.713 1.869 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.064 3.933 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.773 3.579 0.338 1.00 0.00 H new ATOM 647 N SER A 48 -12.426 3.404 3.393 1.00 0.00 N ATOM 648 CA SER A 48 -12.648 3.964 4.720 1.00 0.00 C ATOM 649 C SER A 48 -11.385 4.712 5.134 1.00 0.00 C ATOM 650 O SER A 48 -11.398 5.922 5.360 1.00 0.00 O ATOM 651 CB SER A 48 -12.962 2.835 5.706 1.00 0.00 C ATOM 652 OG SER A 48 -12.103 1.734 5.467 1.00 0.00 O ATOM 0 H SER A 48 -12.481 2.386 3.359 1.00 0.00 H new ATOM 0 HA SER A 48 -13.493 4.652 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.838 3.189 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.002 2.526 5.600 1.00 0.00 H new ATOM 0 HG SER A 48 -12.539 1.107 4.853 1.00 0.00 H new ATOM 658 N TYR A 49 -10.280 3.973 5.221 1.00 0.00 N ATOM 659 CA TYR A 49 -8.981 4.552 5.502 1.00 0.00 C ATOM 660 C TYR A 49 -8.495 5.212 4.209 1.00 0.00 C ATOM 661 O TYR A 49 -7.609 4.686 3.544 1.00 0.00 O ATOM 662 CB TYR A 49 -8.013 3.472 6.009 1.00 0.00 C ATOM 663 CG TYR A 49 -6.727 4.025 6.554 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.721 4.632 7.816 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.558 3.999 5.771 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.558 5.258 8.276 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.396 4.631 6.232 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.409 5.304 7.468 1.00 0.00 C ATOM 669 OH TYR A 49 -3.294 5.925 7.946 1.00 0.00 O ATOM 0 H TYR A 49 -10.267 2.961 5.098 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.038 5.301 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.507 2.890 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.787 2.786 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.609 4.617 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.557 3.493 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.543 5.708 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.493 4.602 5.641 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.495 5.483 7.590 1.00 0.00 H new ATOM 679 N GLY A 50 -9.097 6.338 3.826 1.00 0.00 N ATOM 680 CA GLY A 50 -8.760 7.041 2.599 1.00 0.00 C ATOM 681 C GLY A 50 -9.102 8.523 2.696 1.00 0.00 C ATOM 682 O GLY A 50 -9.588 8.996 3.721 1.00 0.00 O ATOM 0 H GLY A 50 -9.837 6.787 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.696 6.924 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.299 6.596 1.763 1.00 0.00 H new ATOM 686 N GLY A 51 -8.829 9.258 1.617 1.00 0.00 N ATOM 687 CA GLY A 51 -9.072 10.683 1.484 1.00 0.00 C ATOM 688 C GLY A 51 -8.820 11.044 0.023 1.00 0.00 C ATOM 689 O GLY A 51 -8.169 10.272 -0.679 1.00 0.00 O ATOM 0 H GLY A 51 -8.414 8.852 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.095 10.928 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.412 11.250 2.141 1.00 0.00 H new ATOM 693 N GLU A 52 -9.312 12.200 -0.434 1.00 0.00 N ATOM 694 CA GLU A 52 -9.218 12.630 -1.828 1.00 0.00 C ATOM 695 C GLU A 52 -7.836 12.389 -2.451 1.00 0.00 C ATOM 696 O GLU A 52 -7.723 11.696 -3.459 1.00 0.00 O ATOM 697 CB GLU A 52 -9.701 14.083 -1.967 1.00 0.00 C ATOM 698 CG GLU A 52 -8.929 15.112 -1.125 1.00 0.00 C ATOM 699 CD GLU A 52 -9.620 16.471 -1.164 1.00 0.00 C ATOM 700 OE1 GLU A 52 -10.508 16.678 -0.310 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.253 17.270 -2.052 1.00 0.00 O ATOM 0 H GLU A 52 -9.793 12.871 0.165 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.886 11.998 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.635 14.372 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.754 14.127 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.857 14.765 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.910 15.206 -1.501 1.00 0.00 H new ATOM 708 N ARG A 53 -6.774 12.909 -1.831 1.00 0.00 N ATOM 709 CA ARG A 53 -5.414 12.767 -2.344 1.00 0.00 C ATOM 710 C ARG A 53 -4.980 11.301 -2.463 1.00 0.00 C ATOM 711 O ARG A 53 -4.133 10.964 -3.286 1.00 0.00 O ATOM 712 CB ARG A 53 -4.447 13.582 -1.474 1.00 0.00 C ATOM 713 CG ARG A 53 -4.192 12.978 -0.083 1.00 0.00 C ATOM 714 CD ARG A 53 -3.570 14.045 0.823 1.00 0.00 C ATOM 715 NE ARG A 53 -2.988 13.462 2.041 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.715 13.052 2.148 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.940 12.971 1.064 1.00 0.00 N ATOM 718 NH2 ARG A 53 -1.214 12.734 3.346 1.00 0.00 N ATOM 0 H ARG A 53 -6.835 13.439 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.392 13.163 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.496 13.676 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.845 14.590 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.127 12.618 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.526 12.119 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.797 14.582 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.331 14.775 1.098 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.591 13.363 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.315 13.221 0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.027 12.659 1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.800 12.803 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.246 12.422 3.428 1.00 0.00 H new ATOM 732 N LYS A 54 -5.565 10.435 -1.636 1.00 0.00 N ATOM 733 CA LYS A 54 -5.265 9.017 -1.562 1.00 0.00 C ATOM 734 C LYS A 54 -6.193 8.208 -2.479 1.00 0.00 C ATOM 735 O LYS A 54 -6.021 6.999 -2.592 1.00 0.00 O ATOM 736 CB LYS A 54 -5.336 8.593 -0.090 1.00 0.00 C ATOM 737 CG LYS A 54 -4.501 9.572 0.754 1.00 0.00 C ATOM 738 CD LYS A 54 -4.191 9.028 2.143 1.00 0.00 C ATOM 739 CE LYS A 54 -3.311 9.964 2.972 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.035 9.370 4.294 1.00 0.00 N ATOM 0 H LYS A 54 -6.289 10.720 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.259 8.813 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.371 8.590 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.958 7.577 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.567 9.788 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.039 10.515 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.126 8.853 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.694 8.063 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.374 10.153 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.807 10.927 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.139 9.747 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.807 9.607 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.964 8.336 4.202 1.00 0.00 H new ATOM 754 N ALA A 55 -7.145 8.851 -3.171 1.00 0.00 N ATOM 755 CA ALA A 55 -8.085 8.176 -4.064 1.00 0.00 C ATOM 756 C ALA A 55 -7.371 7.289 -5.089 1.00 0.00 C ATOM 757 O ALA A 55 -7.774 6.151 -5.328 1.00 0.00 O ATOM 758 CB ALA A 55 -8.975 9.205 -4.765 1.00 0.00 C ATOM 0 H ALA A 55 -7.281 9.861 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.708 7.521 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.672 8.692 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.534 9.771 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.355 9.886 -5.348 1.00 0.00 H new ATOM 764 N MET A 56 -6.303 7.808 -5.700 1.00 0.00 N ATOM 765 CA MET A 56 -5.523 7.070 -6.677 1.00 0.00 C ATOM 766 C MET A 56 -4.950 5.786 -6.064 1.00 0.00 C ATOM 767 O MET A 56 -5.058 4.708 -6.650 1.00 0.00 O ATOM 768 CB MET A 56 -4.468 8.003 -7.285 1.00 0.00 C ATOM 769 CG MET A 56 -3.448 8.589 -6.296 1.00 0.00 C ATOM 770 SD MET A 56 -2.420 9.912 -6.988 1.00 0.00 S ATOM 771 CE MET A 56 -3.563 11.307 -6.897 1.00 0.00 C ATOM 0 H MET A 56 -5.961 8.753 -5.526 1.00 0.00 H new ATOM 0 HA MET A 56 -6.158 6.732 -7.496 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.926 7.455 -8.056 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.981 8.827 -7.781 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.981 8.975 -5.427 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.800 7.787 -5.942 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.077 12.201 -7.288 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.452 11.089 -7.489 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.851 11.474 -5.859 1.00 0.00 H new ATOM 781 N MET A 57 -4.377 5.893 -4.861 1.00 0.00 N ATOM 782 CA MET A 57 -3.842 4.749 -4.140 1.00 0.00 C ATOM 783 C MET A 57 -4.982 3.772 -3.869 1.00 0.00 C ATOM 784 O MET A 57 -4.857 2.588 -4.168 1.00 0.00 O ATOM 785 CB MET A 57 -3.166 5.224 -2.852 1.00 0.00 C ATOM 786 CG MET A 57 -2.651 4.054 -2.006 1.00 0.00 C ATOM 787 SD MET A 57 -1.607 4.521 -0.604 1.00 0.00 S ATOM 788 CE MET A 57 -2.273 6.124 -0.106 1.00 0.00 C ATOM 0 H MET A 57 -4.274 6.778 -4.365 1.00 0.00 H new ATOM 0 HA MET A 57 -3.083 4.234 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.335 5.884 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.874 5.810 -2.266 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.507 3.493 -1.631 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.086 3.381 -2.651 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.845 6.413 0.854 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.019 6.873 -0.857 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.357 6.055 -0.014 1.00 0.00 H new ATOM 798 N THR A 58 -6.091 4.277 -3.319 1.00 0.00 N ATOM 799 CA THR A 58 -7.300 3.501 -3.080 1.00 0.00 C ATOM 800 C THR A 58 -7.642 2.687 -4.327 1.00 0.00 C ATOM 801 O THR A 58 -7.780 1.474 -4.226 1.00 0.00 O ATOM 802 CB THR A 58 -8.448 4.414 -2.612 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.310 4.668 -1.230 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.851 3.851 -2.878 1.00 0.00 C ATOM 0 H THR A 58 -6.169 5.251 -3.025 1.00 0.00 H new ATOM 0 HA THR A 58 -7.133 2.791 -2.270 1.00 0.00 H new ATOM 0 HB THR A 58 -8.365 5.328 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.514 3.853 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.600 4.556 -2.518 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.984 3.696 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.967 2.901 -2.356 1.00 0.00 H new ATOM 812 N ASN A 59 -7.744 3.311 -5.505 1.00 0.00 N ATOM 813 CA ASN A 59 -8.050 2.557 -6.718 1.00 0.00 C ATOM 814 C ASN A 59 -6.957 1.526 -7.006 1.00 0.00 C ATOM 815 O ASN A 59 -7.273 0.394 -7.370 1.00 0.00 O ATOM 816 CB ASN A 59 -8.251 3.481 -7.922 1.00 0.00 C ATOM 817 CG ASN A 59 -8.959 2.813 -9.110 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.495 3.518 -9.958 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.014 1.483 -9.223 1.00 0.00 N ATOM 0 H ASN A 59 -7.622 4.314 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.988 2.029 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.831 4.349 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.279 3.849 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.500 1.058 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.570 0.893 -8.520 1.00 0.00 H new ATOM 826 N ALA A 60 -5.683 1.903 -6.865 1.00 0.00 N ATOM 827 CA ALA A 60 -4.581 0.984 -7.111 1.00 0.00 C ATOM 828 C ALA A 60 -4.739 -0.286 -6.268 1.00 0.00 C ATOM 829 O ALA A 60 -4.666 -1.389 -6.803 1.00 0.00 O ATOM 830 CB ALA A 60 -3.234 1.673 -6.874 1.00 0.00 C ATOM 0 H ALA A 60 -5.395 2.839 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.604 0.682 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.426 0.967 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.138 2.525 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.179 2.019 -5.842 1.00 0.00 H new ATOM 836 N VAL A 61 -4.982 -0.145 -4.961 1.00 0.00 N ATOM 837 CA VAL A 61 -5.163 -1.308 -4.097 1.00 0.00 C ATOM 838 C VAL A 61 -6.566 -1.922 -4.224 1.00 0.00 C ATOM 839 O VAL A 61 -6.726 -3.097 -3.915 1.00 0.00 O ATOM 840 CB VAL A 61 -4.763 -1.016 -2.642 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.258 -0.763 -2.524 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.506 0.164 -2.023 1.00 0.00 C ATOM 0 H VAL A 61 -5.057 0.754 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.473 -2.074 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.045 -1.911 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.004 -0.559 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.713 -1.643 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.984 0.094 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.170 0.308 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.303 1.066 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.577 -0.037 -2.029 1.00 0.00 H new ATOM 852 N LYS A 62 -7.581 -1.186 -4.698 1.00 0.00 N ATOM 853 CA LYS A 62 -8.932 -1.716 -4.913 1.00 0.00 C ATOM 854 C LYS A 62 -8.864 -2.963 -5.800 1.00 0.00 C ATOM 855 O LYS A 62 -9.637 -3.901 -5.625 1.00 0.00 O ATOM 856 CB LYS A 62 -9.830 -0.645 -5.564 1.00 0.00 C ATOM 857 CG LYS A 62 -11.302 -1.047 -5.767 1.00 0.00 C ATOM 858 CD LYS A 62 -12.148 -1.006 -4.486 1.00 0.00 C ATOM 859 CE LYS A 62 -12.470 0.432 -4.050 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.343 0.449 -2.863 1.00 0.00 N ATOM 0 H LYS A 62 -7.486 -0.201 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.363 -1.988 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.799 0.253 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.407 -0.382 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.750 -0.383 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.338 -2.055 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.078 -1.551 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.615 -1.517 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.544 0.964 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.956 0.962 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.707 1.412 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.140 -0.204 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.799 0.151 -2.028 1.00 0.00 H new ATOM 874 N LYS A 63 -7.938 -2.970 -6.765 1.00 0.00 N ATOM 875 CA LYS A 63 -7.737 -4.074 -7.675 1.00 0.00 C ATOM 876 C LYS A 63 -7.277 -5.355 -6.947 1.00 0.00 C ATOM 877 O LYS A 63 -7.416 -6.451 -7.485 1.00 0.00 O ATOM 878 CB LYS A 63 -6.700 -3.626 -8.718 1.00 0.00 C ATOM 879 CG LYS A 63 -7.320 -3.245 -10.068 1.00 0.00 C ATOM 880 CD LYS A 63 -8.184 -1.980 -9.960 1.00 0.00 C ATOM 881 CE LYS A 63 -8.816 -1.621 -11.311 1.00 0.00 C ATOM 882 NZ LYS A 63 -7.804 -1.220 -12.305 1.00 0.00 N ATOM 0 H LYS A 63 -7.302 -2.189 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.682 -4.330 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.147 -2.772 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.979 -4.429 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.528 -3.083 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.929 -4.071 -10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.968 -2.134 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.573 -1.148 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.376 -2.477 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.530 -0.809 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.278 -0.842 -13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.187 -0.489 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.231 -2.047 -12.570 1.00 0.00 H new ATOM 896 N ALA A 64 -6.696 -5.225 -5.750 1.00 0.00 N ATOM 897 CA ALA A 64 -6.153 -6.319 -4.960 1.00 0.00 C ATOM 898 C ALA A 64 -7.240 -6.974 -4.104 1.00 0.00 C ATOM 899 O ALA A 64 -7.845 -6.316 -3.261 1.00 0.00 O ATOM 900 CB ALA A 64 -5.065 -5.740 -4.046 1.00 0.00 C ATOM 0 H ALA A 64 -6.590 -4.319 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.746 -7.081 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.637 -6.538 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.282 -5.287 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.502 -4.983 -3.395 1.00 0.00 H new ATOM 906 N SER A 65 -7.467 -8.277 -4.291 1.00 0.00 N ATOM 907 CA SER A 65 -8.378 -9.034 -3.433 1.00 0.00 C ATOM 908 C SER A 65 -7.615 -9.449 -2.169 1.00 0.00 C ATOM 909 O SER A 65 -6.442 -9.114 -2.018 1.00 0.00 O ATOM 910 CB SER A 65 -8.992 -10.239 -4.162 1.00 0.00 C ATOM 911 OG SER A 65 -9.281 -9.919 -5.507 1.00 0.00 O ATOM 0 H SER A 65 -7.031 -8.829 -5.030 1.00 0.00 H new ATOM 0 HA SER A 65 -9.223 -8.404 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.302 -11.082 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.904 -10.551 -3.654 1.00 0.00 H new ATOM 0 HG SER A 65 -8.459 -9.967 -6.038 1.00 0.00 H new ATOM 917 N ASP A 66 -8.243 -10.208 -1.267 1.00 0.00 N ATOM 918 CA ASP A 66 -7.623 -10.568 0.004 1.00 0.00 C ATOM 919 C ASP A 66 -6.225 -11.182 -0.119 1.00 0.00 C ATOM 920 O ASP A 66 -5.313 -10.741 0.579 1.00 0.00 O ATOM 921 CB ASP A 66 -8.559 -11.463 0.821 1.00 0.00 C ATOM 922 CG ASP A 66 -7.977 -11.732 2.206 1.00 0.00 C ATOM 923 OD1 ASP A 66 -7.764 -10.737 2.934 1.00 0.00 O ATOM 924 OD2 ASP A 66 -7.753 -12.923 2.508 1.00 0.00 O ATOM 0 H ASP A 66 -9.182 -10.584 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.466 -9.629 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.534 -10.985 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.716 -12.406 0.298 1.00 0.00 H new ATOM 929 N GLU A 67 -6.047 -12.188 -0.985 1.00 0.00 N ATOM 930 CA GLU A 67 -4.742 -12.832 -1.154 1.00 0.00 C ATOM 931 C GLU A 67 -3.695 -11.772 -1.477 1.00 0.00 C ATOM 932 O GLU A 67 -2.655 -11.665 -0.829 1.00 0.00 O ATOM 933 CB GLU A 67 -4.802 -13.909 -2.255 1.00 0.00 C ATOM 934 CG GLU A 67 -3.545 -14.797 -2.318 1.00 0.00 C ATOM 935 CD GLU A 67 -2.313 -14.101 -2.904 1.00 0.00 C ATOM 936 OE1 GLU A 67 -2.478 -13.395 -3.923 1.00 0.00 O ATOM 937 OE2 GLU A 67 -1.223 -14.294 -2.325 1.00 0.00 O ATOM 0 H GLU A 67 -6.786 -12.570 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.464 -13.331 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.675 -14.540 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.942 -13.422 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.308 -15.144 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.768 -15.681 -2.916 1.00 0.00 H new ATOM 944 N GLU A 68 -4.013 -10.987 -2.497 1.00 0.00 N ATOM 945 CA GLU A 68 -3.188 -9.933 -3.016 1.00 0.00 C ATOM 946 C GLU A 68 -2.844 -8.935 -1.910 1.00 0.00 C ATOM 947 O GLU A 68 -1.671 -8.638 -1.718 1.00 0.00 O ATOM 948 CB GLU A 68 -3.941 -9.299 -4.182 1.00 0.00 C ATOM 949 CG GLU A 68 -4.305 -10.308 -5.278 1.00 0.00 C ATOM 950 CD GLU A 68 -5.745 -10.784 -5.200 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.027 -11.595 -4.295 1.00 0.00 O ATOM 952 OE2 GLU A 68 -6.554 -10.281 -6.011 1.00 0.00 O ATOM 0 H GLU A 68 -4.895 -11.081 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.233 -10.311 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.852 -8.832 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.330 -8.506 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.132 -9.853 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.640 -11.169 -5.205 1.00 0.00 H new ATOM 959 N LEU A 69 -3.844 -8.439 -1.176 1.00 0.00 N ATOM 960 CA LEU A 69 -3.645 -7.491 -0.084 1.00 0.00 C ATOM 961 C LEU A 69 -2.692 -8.072 0.963 1.00 0.00 C ATOM 962 O LEU A 69 -1.715 -7.422 1.344 1.00 0.00 O ATOM 963 CB LEU A 69 -4.994 -7.127 0.558 1.00 0.00 C ATOM 964 CG LEU A 69 -5.900 -6.283 -0.354 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.338 -6.309 0.173 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.443 -4.822 -0.415 1.00 0.00 C ATOM 0 H LEU A 69 -4.821 -8.688 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.197 -6.583 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.518 -8.044 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.811 -6.579 1.483 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.843 -6.715 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.975 -5.709 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.701 -7.337 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.363 -5.900 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.109 -4.259 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.468 -4.391 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.426 -4.775 -0.805 1.00 0.00 H new ATOM 978 N LYS A 70 -2.965 -9.298 1.426 1.00 0.00 N ATOM 979 CA LYS A 70 -2.120 -9.960 2.410 1.00 0.00 C ATOM 980 C LYS A 70 -0.693 -10.070 1.886 1.00 0.00 C ATOM 981 O LYS A 70 0.258 -9.801 2.614 1.00 0.00 O ATOM 982 CB LYS A 70 -2.678 -11.345 2.764 1.00 0.00 C ATOM 983 CG LYS A 70 -3.966 -11.248 3.590 1.00 0.00 C ATOM 984 CD LYS A 70 -4.459 -12.605 4.115 1.00 0.00 C ATOM 985 CE LYS A 70 -4.729 -13.635 3.008 1.00 0.00 C ATOM 986 NZ LYS A 70 -3.523 -14.404 2.647 1.00 0.00 N ATOM 0 H LYS A 70 -3.771 -9.849 1.129 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.111 -9.360 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.875 -11.902 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.929 -11.906 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.798 -10.580 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.748 -10.798 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.716 -13.010 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.374 -12.452 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.509 -14.322 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.108 -13.123 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.362 -14.336 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.701 -14.018 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.655 -15.401 2.911 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.534 -10.457 0.622 1.00 0.00 N ATOM 1001 CA ALA A 71 0.777 -10.573 0.011 1.00 0.00 C ATOM 1002 C ALA A 71 1.463 -9.209 -0.118 1.00 0.00 C ATOM 1003 O ALA A 71 2.674 -9.115 0.075 1.00 0.00 O ATOM 1004 CB ALA A 71 0.634 -11.279 -1.336 1.00 0.00 C ATOM 0 H ALA A 71 -1.307 -10.696 0.001 1.00 0.00 H new ATOM 0 HA ALA A 71 1.424 -11.171 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.614 -11.371 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.210 -12.271 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.024 -10.699 -1.983 1.00 0.00 H new ATOM 1010 N LEU A 72 0.709 -8.150 -0.441 1.00 0.00 N ATOM 1011 CA LEU A 72 1.240 -6.802 -0.584 1.00 0.00 C ATOM 1012 C LEU A 72 1.865 -6.415 0.752 1.00 0.00 C ATOM 1013 O LEU A 72 3.013 -5.976 0.827 1.00 0.00 O ATOM 1014 CB LEU A 72 0.065 -5.891 -0.979 1.00 0.00 C ATOM 1015 CG LEU A 72 0.348 -4.615 -1.787 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.244 -4.819 -3.012 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -1.023 -4.106 -2.259 1.00 0.00 C ATOM 0 H LEU A 72 -0.295 -8.213 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 72 2.009 -6.716 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.640 -6.493 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.443 -5.593 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 72 0.889 -3.918 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.389 -3.865 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.210 -5.212 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.772 -5.526 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.892 -3.195 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.501 -4.867 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.650 -3.895 -1.393 1.00 0.00 H new ATOM 1029 N ALA A 73 1.084 -6.625 1.813 1.00 0.00 N ATOM 1030 CA ALA A 73 1.526 -6.394 3.176 1.00 0.00 C ATOM 1031 C ALA A 73 2.758 -7.245 3.504 1.00 0.00 C ATOM 1032 O ALA A 73 3.777 -6.715 3.944 1.00 0.00 O ATOM 1033 CB ALA A 73 0.368 -6.678 4.132 1.00 0.00 C ATOM 0 H ALA A 73 0.124 -6.962 1.743 1.00 0.00 H new ATOM 0 HA ALA A 73 1.825 -5.352 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.693 -6.506 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.466 -6.016 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.050 -7.715 4.021 1.00 0.00 H new ATOM 1039 N ASP A 74 2.673 -8.563 3.296 1.00 0.00 N ATOM 1040 CA ASP A 74 3.763 -9.496 3.548 1.00 0.00 C ATOM 1041 C ASP A 74 5.070 -9.003 2.927 1.00 0.00 C ATOM 1042 O ASP A 74 6.075 -8.926 3.628 1.00 0.00 O ATOM 1043 CB ASP A 74 3.404 -10.888 3.020 1.00 0.00 C ATOM 1044 CG ASP A 74 4.514 -11.887 3.322 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.495 -12.427 4.448 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.364 -12.086 2.428 1.00 0.00 O ATOM 0 H ASP A 74 1.829 -9.013 2.942 1.00 0.00 H new ATOM 0 HA ASP A 74 3.912 -9.559 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.472 -11.225 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.235 -10.841 1.944 1.00 0.00 H new ATOM 1051 N TYR A 75 5.044 -8.659 1.633 1.00 0.00 N ATOM 1052 CA TYR A 75 6.202 -8.145 0.909 1.00 0.00 C ATOM 1053 C TYR A 75 6.855 -7.000 1.697 1.00 0.00 C ATOM 1054 O TYR A 75 7.991 -7.122 2.155 1.00 0.00 O ATOM 1055 CB TYR A 75 5.765 -7.736 -0.510 1.00 0.00 C ATOM 1056 CG TYR A 75 6.785 -6.964 -1.332 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.814 -7.635 -2.017 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.652 -5.572 -1.481 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.706 -6.912 -2.831 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.591 -4.840 -2.226 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.605 -5.512 -2.928 1.00 0.00 C ATOM 1062 OH TYR A 75 9.527 -4.819 -3.659 1.00 0.00 O ATOM 0 H TYR A 75 4.205 -8.733 1.057 1.00 0.00 H new ATOM 0 HA TYR A 75 6.965 -8.916 0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.496 -8.639 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.862 -7.131 -0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.920 -8.705 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.820 -5.061 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.472 -7.435 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.533 -3.762 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 75 9.495 -3.871 -3.412 1.00 0.00 H new ATOM 1072 N MET A 76 6.131 -5.893 1.895 1.00 0.00 N ATOM 1073 CA MET A 76 6.666 -4.749 2.631 1.00 0.00 C ATOM 1074 C MET A 76 7.018 -5.087 4.082 1.00 0.00 C ATOM 1075 O MET A 76 7.870 -4.422 4.665 1.00 0.00 O ATOM 1076 CB MET A 76 5.720 -3.551 2.508 1.00 0.00 C ATOM 1077 CG MET A 76 6.073 -2.795 1.222 1.00 0.00 C ATOM 1078 SD MET A 76 4.801 -1.721 0.528 1.00 0.00 S ATOM 1079 CE MET A 76 3.592 -2.954 0.012 1.00 0.00 C ATOM 0 H MET A 76 5.177 -5.768 1.556 1.00 0.00 H new ATOM 0 HA MET A 76 7.615 -4.471 2.173 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.683 -3.886 2.480 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.820 -2.897 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.958 -2.189 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.349 -3.527 0.463 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.843 -2.484 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.095 -3.747 -0.543 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.107 -3.378 0.891 1.00 0.00 H new ATOM 1089 N SER A 77 6.399 -6.112 4.670 1.00 0.00 N ATOM 1090 CA SER A 77 6.720 -6.546 6.022 1.00 0.00 C ATOM 1091 C SER A 77 7.983 -7.413 6.079 1.00 0.00 C ATOM 1092 O SER A 77 8.297 -7.906 7.164 1.00 0.00 O ATOM 1093 CB SER A 77 5.550 -7.338 6.611 1.00 0.00 C ATOM 1094 OG SER A 77 5.738 -7.507 8.007 1.00 0.00 O ATOM 0 H SER A 77 5.665 -6.660 4.221 1.00 0.00 H new ATOM 0 HA SER A 77 6.905 -5.644 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.613 -6.815 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.476 -8.311 6.124 1.00 0.00 H new ATOM 0 HG SER A 77 6.684 -7.687 8.190 1.00 0.00 H new ATOM 1100 N LYS A 78 8.666 -7.664 4.957 1.00 0.00 N ATOM 1101 CA LYS A 78 9.868 -8.483 4.918 1.00 0.00 C ATOM 1102 C LYS A 78 10.863 -7.736 4.042 1.00 0.00 C ATOM 1103 O LYS A 78 11.459 -8.295 3.123 1.00 0.00 O ATOM 1104 CB LYS A 78 9.521 -9.875 4.372 1.00 0.00 C ATOM 1105 CG LYS A 78 8.643 -10.650 5.363 1.00 0.00 C ATOM 1106 CD LYS A 78 8.363 -12.069 4.853 1.00 0.00 C ATOM 1107 CE LYS A 78 7.748 -12.946 5.951 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.501 -12.371 6.488 1.00 0.00 N ATOM 0 H LYS A 78 8.392 -7.298 4.045 1.00 0.00 H new ATOM 0 HA LYS A 78 10.302 -8.643 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.001 -9.777 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.437 -10.433 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.138 -10.699 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.702 -10.121 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.687 -12.024 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.291 -12.521 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.545 -13.939 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.467 -13.070 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.129 -12.988 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.694 -11.427 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.798 -12.292 5.725 1.00 0.00 H new ATOM 1122 N LEU A 79 11.010 -6.448 4.340 1.00 0.00 N ATOM 1123 CA LEU A 79 11.782 -5.489 3.614 1.00 0.00 C ATOM 1124 C LEU A 79 12.159 -4.412 4.625 1.00 0.00 C ATOM 1125 O LEU A 79 13.132 -3.683 4.345 1.00 0.00 O ATOM 1126 CB LEU A 79 10.834 -4.912 2.561 1.00 0.00 C ATOM 1127 CG LEU A 79 11.022 -5.506 1.158 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.950 -4.923 0.236 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.409 -5.195 0.583 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.435 -4.326 5.644 1.00 0.00 O ATOM 0 H LEU A 79 10.555 -6.036 5.154 1.00 0.00 H new ATOM 0 HA LEU A 79 12.677 -5.894 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.806 -5.081 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.978 -3.833 2.510 1.00 0.00 H new ATOM 0 HG LEU A 79 10.931 -6.590 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.069 -5.335 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.962 -5.179 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.054 -3.839 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.498 -5.634 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.541 -4.115 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.175 -5.614 1.235 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.727 4.294 -0.705 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.273 5.094 2.569 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.067 1.043 0.241 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.608 3.393 -3.970 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.837 7.597 -1.523 1.00 10.53 C HETATM 1148 NA HEC A 80 0.728 3.265 1.039 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.004 3.768 2.291 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.848 2.754 3.300 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.408 1.642 2.667 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.373 1.946 1.252 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.028 0.329 3.279 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.040 2.991 4.774 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.206 3.611 5.417 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.056 4.350 6.720 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.857 5.023 7.189 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.165 4.267 7.234 1.00 17.21 O HETATM 1159 NB HEC A 80 0.499 2.562 -1.668 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.257 1.318 -1.113 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.308 0.314 -2.135 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.439 0.947 -3.331 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.509 2.367 -3.035 1.00 4.49 C HETATM 1164 CMB HEC A 80 0.291 -1.153 -1.833 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.565 0.318 -4.701 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.604 -0.596 -5.090 1.00 6.48 C HETATM 1167 NC HEC A 80 0.722 5.296 -2.403 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.682 4.752 -3.674 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.834 5.789 -4.661 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.055 6.949 -3.983 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.865 6.662 -2.568 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.839 5.541 -6.149 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.470 8.279 -4.559 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.318 9.026 -5.233 1.00 10.94 C HETATM 1175 ND HEC A 80 0.842 6.001 0.340 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.804 7.283 -0.161 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.670 8.223 0.942 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.733 7.509 2.104 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.988 6.141 1.710 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.421 9.698 0.782 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.466 8.031 3.511 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.864 7.236 4.774 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.485 8.039 6.011 1.00 6.46 C HETATM 1184 O1D HEC A 80 -0.703 8.093 6.321 1.00 8.25 O HETATM 1185 O2D HEC A 80 1.381 8.610 6.626 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.237 10.145 0.215 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.518 9.853 0.251 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.363 10.166 1.765 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.659 4.869 -6.403 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.107 5.088 -6.445 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.969 6.487 -6.675 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 1.150 -1.407 -1.212 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -0.627 -1.405 -1.302 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 0.338 -1.717 -2.765 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.885 -0.088 3.808 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.793 0.478 3.980 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.285 -0.361 2.495 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.359 6.270 4.784 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.935 7.036 4.770 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.079 8.422 -6.049 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.470 9.214 -4.504 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.681 9.975 -5.627 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -0.682 -1.413 -4.372 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.531 -0.022 -5.089 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.431 -1.004 -6.086 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.659 4.303 4.707 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.934 2.822 5.602 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.958 9.001 3.584 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.607 8.212 3.580 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.272 2.047 5.267 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.895 3.650 4.928 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.841 8.653 -1.794 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.629 3.109 -5.022 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.342 0.072 0.520 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.739 5.331 3.525 1.00 5.52 H new