USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=25 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 77 SER OG : rot -35:sc= 0.75 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -153:sc= 0.0352 (180deg=-0.213) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc=-0.00212 USER MOD Set 2.2: A 57 MET CE :methyl 167:sc= -1.42 (180deg=-2.69) USER MOD Set 3.1: A 41 MET CE :methyl -129:sc= -1.79 (180deg=-6.77!) USER MOD Set 3.2: A 76 MET CE :methyl -158:sc=-0.00654 (180deg=-0.768) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -112:sc= 0.248 (180deg=-0.247) USER MOD Set 4.2: A 32 GLN : amide:sc= 2.33 K(o=4.5,f=1.6) USER MOD Set 4.3: A 40 LYS NZ :NH3+ 161:sc= 1.91 (180deg=1.34) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.195 (180deg=0) USER MOD Single : A 7 TYR OH : rot 33:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 77:sc= 1.14 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 30 LYS NZ :NH3+ 175:sc= 0.747 (180deg=0.712) USER MOD Single : A 38 TYR OH : rot 26:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0293) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0278) USER MOD Single : A 48 SER OG : rot -96:sc= 1.19 USER MOD Single : A 49 TYR OH : rot -161:sc= 0.953 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= -0.622 (180deg=-0.695) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 59 ASN : amide:sc= 0.0676 X(o=0.068,f=-0.046) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0.859 (180deg=0.816) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0553) USER MOD Single : A 65 SER OG : rot 180:sc= 0.229 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 140:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.811 -12.630 -9.467 1.00 0.00 N ATOM 2 CA ALA A 1 4.179 -13.315 -8.324 1.00 0.00 C ATOM 3 C ALA A 1 3.278 -12.329 -7.586 1.00 0.00 C ATOM 4 O ALA A 1 3.375 -11.132 -7.853 1.00 0.00 O ATOM 5 CB ALA A 1 5.238 -13.887 -7.376 1.00 0.00 C ATOM 0 H1 ALA A 1 4.400 -12.984 -10.354 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.645 -11.606 -9.393 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.834 -12.816 -9.461 1.00 0.00 H new ATOM 0 HA ALA A 1 3.581 -14.148 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.747 -14.387 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.859 -14.603 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.863 -13.078 -6.997 1.00 0.00 H new ATOM 13 N ASP A 2 2.414 -12.821 -6.695 1.00 0.00 N ATOM 14 CA ASP A 2 1.535 -11.997 -5.874 1.00 0.00 C ATOM 15 C ASP A 2 2.364 -11.003 -5.055 1.00 0.00 C ATOM 16 O ASP A 2 3.536 -11.255 -4.776 1.00 0.00 O ATOM 17 CB ASP A 2 0.684 -12.897 -4.967 1.00 0.00 C ATOM 18 CG ASP A 2 1.543 -13.808 -4.090 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.178 -14.712 -4.680 1.00 0.00 O ATOM 20 OD2 ASP A 2 1.552 -13.586 -2.862 1.00 0.00 O ATOM 0 H ASP A 2 2.307 -13.821 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 2 0.864 -11.425 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.051 -12.277 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.021 -13.506 -5.581 1.00 0.00 H new ATOM 25 N GLY A 3 1.777 -9.854 -4.705 1.00 0.00 N ATOM 26 CA GLY A 3 2.466 -8.796 -3.980 1.00 0.00 C ATOM 27 C GLY A 3 3.348 -8.022 -4.959 1.00 0.00 C ATOM 28 O GLY A 3 3.070 -6.877 -5.310 1.00 0.00 O ATOM 0 H GLY A 3 0.804 -9.636 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.744 -8.127 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.072 -9.220 -3.180 1.00 0.00 H new ATOM 32 N ALA A 4 4.385 -8.699 -5.450 1.00 0.00 N ATOM 33 CA ALA A 4 5.392 -8.152 -6.348 1.00 0.00 C ATOM 34 C ALA A 4 4.793 -7.618 -7.650 1.00 0.00 C ATOM 35 O ALA A 4 5.099 -6.504 -8.064 1.00 0.00 O ATOM 36 CB ALA A 4 6.452 -9.221 -6.630 1.00 0.00 C ATOM 0 H ALA A 4 4.550 -9.680 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 4 5.854 -7.297 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.208 -8.815 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.923 -9.522 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.981 -10.087 -7.095 1.00 0.00 H new ATOM 42 N ALA A 5 3.954 -8.415 -8.317 1.00 0.00 N ATOM 43 CA ALA A 5 3.344 -8.003 -9.574 1.00 0.00 C ATOM 44 C ALA A 5 2.510 -6.735 -9.380 1.00 0.00 C ATOM 45 O ALA A 5 2.603 -5.795 -10.162 1.00 0.00 O ATOM 46 CB ALA A 5 2.496 -9.143 -10.143 1.00 0.00 C ATOM 0 H ALA A 5 3.685 -9.348 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 5 4.133 -7.772 -10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.044 -8.826 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.128 -10.013 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.711 -9.403 -9.432 1.00 0.00 H new ATOM 52 N LEU A 6 1.697 -6.703 -8.326 1.00 0.00 N ATOM 53 CA LEU A 6 0.830 -5.607 -7.997 1.00 0.00 C ATOM 54 C LEU A 6 1.658 -4.357 -7.683 1.00 0.00 C ATOM 55 O LEU A 6 1.342 -3.261 -8.148 1.00 0.00 O ATOM 56 CB LEU A 6 0.004 -6.087 -6.808 1.00 0.00 C ATOM 57 CG LEU A 6 -1.156 -7.011 -7.214 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.705 -8.387 -7.724 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.071 -7.218 -6.009 1.00 0.00 C ATOM 0 H LEU A 6 1.632 -7.475 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 6 0.174 -5.322 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.654 -6.615 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.396 -5.222 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.670 -6.518 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.579 -8.981 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.071 -8.260 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.144 -8.899 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.897 -7.872 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.505 -7.674 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.465 -6.256 -5.682 1.00 0.00 H new ATOM 71 N TYR A 7 2.739 -4.538 -6.916 1.00 0.00 N ATOM 72 CA TYR A 7 3.657 -3.477 -6.517 1.00 0.00 C ATOM 73 C TYR A 7 4.165 -2.629 -7.698 1.00 0.00 C ATOM 74 O TYR A 7 4.586 -1.486 -7.506 1.00 0.00 O ATOM 75 CB TYR A 7 4.807 -4.069 -5.691 1.00 0.00 C ATOM 76 CG TYR A 7 5.718 -3.026 -5.080 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.297 -2.298 -3.952 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.950 -2.727 -5.686 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.092 -1.252 -3.452 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.748 -1.687 -5.180 1.00 0.00 C ATOM 81 CZ TYR A 7 7.298 -0.922 -4.093 1.00 0.00 C ATOM 82 OH TYR A 7 8.039 0.136 -3.668 1.00 0.00 O ATOM 0 H TYR A 7 3.002 -5.452 -6.548 1.00 0.00 H new ATOM 0 HA TYR A 7 3.099 -2.779 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.390 -4.686 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.398 -4.727 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.362 -2.543 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.284 -3.297 -6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.776 -0.703 -2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.708 -1.476 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 7 7.944 0.233 -2.698 1.00 0.00 H new ATOM 92 N LYS A 8 4.129 -3.141 -8.933 1.00 0.00 N ATOM 93 CA LYS A 8 4.497 -2.383 -10.097 1.00 0.00 C ATOM 94 C LYS A 8 3.697 -1.074 -10.145 1.00 0.00 C ATOM 95 O LYS A 8 4.268 -0.018 -10.403 1.00 0.00 O ATOM 96 CB LYS A 8 4.229 -3.288 -11.295 1.00 0.00 C ATOM 97 CG LYS A 8 5.125 -4.539 -11.348 1.00 0.00 C ATOM 98 CD LYS A 8 6.603 -4.207 -11.590 1.00 0.00 C ATOM 99 CE LYS A 8 7.412 -5.501 -11.734 1.00 0.00 C ATOM 100 NZ LYS A 8 8.844 -5.218 -11.936 1.00 0.00 N ATOM 0 H LYS A 8 3.840 -4.098 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 8 5.546 -2.088 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.185 -3.602 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.371 -2.713 -12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.030 -5.087 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.772 -5.199 -12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.706 -3.601 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.992 -3.615 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.283 -6.114 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.031 -6.079 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.365 -6.113 -12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.968 -4.653 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.211 -4.688 -11.120 1.00 0.00 H new ATOM 114 N SER A 9 2.405 -1.112 -9.796 1.00 0.00 N ATOM 115 CA SER A 9 1.549 0.073 -9.753 1.00 0.00 C ATOM 116 C SER A 9 1.635 0.761 -8.381 1.00 0.00 C ATOM 117 O SER A 9 0.632 1.257 -7.873 1.00 0.00 O ATOM 118 CB SER A 9 0.109 -0.356 -10.056 1.00 0.00 C ATOM 119 OG SER A 9 0.071 -1.081 -11.272 1.00 0.00 O ATOM 0 H SER A 9 1.924 -1.973 -9.534 1.00 0.00 H new ATOM 0 HA SER A 9 1.883 0.794 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.276 -0.971 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.535 0.521 -10.124 1.00 0.00 H new ATOM 0 HG SER A 9 -0.851 -1.355 -11.461 1.00 0.00 H new ATOM 125 N CYS A 10 2.826 0.763 -7.778 1.00 0.00 N ATOM 126 CA CYS A 10 3.113 1.237 -6.426 1.00 0.00 C ATOM 127 C CYS A 10 4.481 1.924 -6.358 1.00 0.00 C ATOM 128 O CYS A 10 4.696 2.863 -5.583 1.00 0.00 O ATOM 129 CB CYS A 10 3.072 -0.001 -5.536 1.00 0.00 C ATOM 130 SG CYS A 10 2.269 0.088 -3.958 1.00 0.00 S ATOM 0 H CYS A 10 3.661 0.414 -8.248 1.00 0.00 H new ATOM 0 HA CYS A 10 2.387 1.983 -6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.590 -0.796 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.102 -0.313 -5.362 1.00 0.00 H new ATOM 135 N ILE A 11 5.412 1.420 -7.176 1.00 0.00 N ATOM 136 CA ILE A 11 6.729 1.994 -7.420 1.00 0.00 C ATOM 137 C ILE A 11 6.605 3.500 -7.651 1.00 0.00 C ATOM 138 O ILE A 11 5.550 4.018 -8.017 1.00 0.00 O ATOM 139 CB ILE A 11 7.329 1.279 -8.655 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.829 -0.113 -8.232 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.441 2.039 -9.402 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.317 -0.976 -9.399 1.00 0.00 C ATOM 0 H ILE A 11 5.256 0.563 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 11 7.385 1.852 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 11 6.517 1.217 -9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.642 0.006 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.024 -0.637 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.785 1.443 -10.247 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.052 2.991 -9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.275 2.222 -8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.653 -1.942 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.501 -1.127 -10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.144 -0.475 -9.901 1.00 0.00 H new ATOM 154 N GLY A 12 7.694 4.225 -7.414 1.00 0.00 N ATOM 155 CA GLY A 12 7.699 5.664 -7.591 1.00 0.00 C ATOM 156 C GLY A 12 7.176 6.334 -6.329 1.00 0.00 C ATOM 157 O GLY A 12 7.912 7.109 -5.724 1.00 0.00 O ATOM 0 H GLY A 12 8.582 3.835 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.710 6.011 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.079 5.938 -8.444 1.00 0.00 H new ATOM 161 N CYS A 13 5.952 6.015 -5.876 1.00 0.00 N ATOM 162 CA CYS A 13 5.474 6.628 -4.641 1.00 0.00 C ATOM 163 C CYS A 13 6.195 5.943 -3.493 1.00 0.00 C ATOM 164 O CYS A 13 6.702 6.604 -2.593 1.00 0.00 O ATOM 165 CB CYS A 13 3.959 6.532 -4.487 1.00 0.00 C ATOM 166 SG CYS A 13 3.022 7.659 -5.559 1.00 0.00 S ATOM 0 H CYS A 13 5.307 5.366 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 13 5.692 7.696 -4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.649 5.508 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.698 6.737 -3.449 1.00 0.00 H new ATOM 171 N HIS A 14 6.268 4.610 -3.560 1.00 0.00 N ATOM 172 CA HIS A 14 6.998 3.794 -2.599 1.00 0.00 C ATOM 173 C HIS A 14 8.433 3.521 -3.076 1.00 0.00 C ATOM 174 O HIS A 14 9.187 2.775 -2.447 1.00 0.00 O ATOM 175 CB HIS A 14 6.168 2.545 -2.331 1.00 0.00 C ATOM 176 CG HIS A 14 4.865 2.923 -1.673 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.820 3.357 -0.359 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.610 3.185 -2.172 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.572 3.786 -0.125 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.739 3.542 -1.131 1.00 0.00 N ATOM 0 H HIS A 14 5.815 4.066 -4.294 1.00 0.00 H new ATOM 0 HA HIS A 14 7.132 4.316 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.974 2.020 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.723 1.860 -1.690 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.593 3.351 0.307 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.335 3.125 -3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.274 4.280 0.788 1.00 0.00 H new ATOM 188 N GLY A 15 8.825 4.152 -4.186 1.00 0.00 N ATOM 189 CA GLY A 15 10.171 4.084 -4.719 1.00 0.00 C ATOM 190 C GLY A 15 10.343 2.724 -5.359 1.00 0.00 C ATOM 191 O GLY A 15 9.715 2.455 -6.379 1.00 0.00 O ATOM 0 H GLY A 15 8.198 4.733 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.333 4.875 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.904 4.229 -3.926 1.00 0.00 H new ATOM 195 N ALA A 16 11.175 1.887 -4.746 1.00 0.00 N ATOM 196 CA ALA A 16 11.366 0.492 -5.106 1.00 0.00 C ATOM 197 C ALA A 16 11.397 -0.314 -3.805 1.00 0.00 C ATOM 198 O ALA A 16 12.003 -1.380 -3.741 1.00 0.00 O ATOM 199 CB ALA A 16 12.660 0.341 -5.910 1.00 0.00 C ATOM 0 H ALA A 16 11.754 2.175 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 16 10.557 0.123 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.801 -0.706 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.598 0.943 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.504 0.678 -5.308 1.00 0.00 H new ATOM 205 N ASP A 17 10.762 0.219 -2.754 1.00 0.00 N ATOM 206 CA ASP A 17 10.734 -0.362 -1.430 1.00 0.00 C ATOM 207 C ASP A 17 9.525 0.238 -0.706 1.00 0.00 C ATOM 208 O ASP A 17 8.386 -0.118 -1.008 1.00 0.00 O ATOM 209 CB ASP A 17 12.095 -0.154 -0.730 1.00 0.00 C ATOM 210 CG ASP A 17 12.630 1.277 -0.825 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.213 1.616 -1.878 1.00 0.00 O ATOM 212 OD2 ASP A 17 12.404 2.025 0.154 1.00 0.00 O ATOM 0 H ASP A 17 10.241 1.094 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 17 10.604 -1.444 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.997 -0.426 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.825 -0.834 -1.168 1.00 0.00 H new ATOM 217 N GLY A 18 9.753 1.191 0.190 1.00 0.00 N ATOM 218 CA GLY A 18 8.706 1.868 0.932 1.00 0.00 C ATOM 219 C GLY A 18 9.260 2.874 1.941 1.00 0.00 C ATOM 220 O GLY A 18 8.556 3.232 2.883 1.00 0.00 O ATOM 0 H GLY A 18 10.691 1.518 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.046 2.384 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.100 1.129 1.456 1.00 0.00 H new ATOM 224 N SER A 19 10.510 3.321 1.775 1.00 0.00 N ATOM 225 CA SER A 19 11.129 4.288 2.672 1.00 0.00 C ATOM 226 C SER A 19 10.668 5.706 2.331 1.00 0.00 C ATOM 227 O SER A 19 10.743 6.604 3.166 1.00 0.00 O ATOM 228 CB SER A 19 12.655 4.185 2.572 1.00 0.00 C ATOM 229 OG SER A 19 13.068 2.838 2.698 1.00 0.00 O ATOM 0 H SER A 19 11.117 3.019 1.013 1.00 0.00 H new ATOM 0 HA SER A 19 10.824 4.066 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.991 4.587 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.118 4.789 3.352 1.00 0.00 H new ATOM 0 HG SER A 19 12.902 2.365 1.856 1.00 0.00 H new ATOM 235 N LYS A 20 10.234 5.911 1.084 1.00 0.00 N ATOM 236 CA LYS A 20 9.755 7.191 0.601 1.00 0.00 C ATOM 237 C LYS A 20 8.602 7.701 1.462 1.00 0.00 C ATOM 238 O LYS A 20 7.722 6.931 1.844 1.00 0.00 O ATOM 239 CB LYS A 20 9.210 7.033 -0.824 1.00 0.00 C ATOM 240 CG LYS A 20 10.191 6.528 -1.885 1.00 0.00 C ATOM 241 CD LYS A 20 11.374 7.482 -2.085 1.00 0.00 C ATOM 242 CE LYS A 20 12.215 7.033 -3.285 1.00 0.00 C ATOM 243 NZ LYS A 20 13.348 7.946 -3.517 1.00 0.00 N ATOM 0 H LYS A 20 10.209 5.175 0.378 1.00 0.00 H new ATOM 0 HA LYS A 20 10.591 7.890 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.363 6.347 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.825 7.999 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.564 5.546 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.665 6.401 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.010 8.497 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.990 7.503 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.588 6.023 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.589 6.994 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.898 7.616 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.989 8.904 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.958 7.964 -2.675 1.00 0.00 H new ATOM 257 N ALA A 21 8.551 9.019 1.667 1.00 0.00 N ATOM 258 CA ALA A 21 7.451 9.671 2.363 1.00 0.00 C ATOM 259 C ALA A 21 6.345 10.074 1.371 1.00 0.00 C ATOM 260 O ALA A 21 5.551 10.965 1.670 1.00 0.00 O ATOM 261 CB ALA A 21 8.000 10.876 3.128 1.00 0.00 C ATOM 0 H ALA A 21 9.277 9.662 1.352 1.00 0.00 H new ATOM 0 HA ALA A 21 6.998 8.982 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.186 11.374 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.746 10.541 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.459 11.573 2.427 1.00 0.00 H new ATOM 267 N ALA A 22 6.302 9.390 0.217 1.00 0.00 N ATOM 268 CA ALA A 22 5.398 9.538 -0.918 1.00 0.00 C ATOM 269 C ALA A 22 4.779 10.937 -1.063 1.00 0.00 C ATOM 270 O ALA A 22 5.483 11.943 -0.968 1.00 0.00 O ATOM 271 CB ALA A 22 4.384 8.387 -0.897 1.00 0.00 C ATOM 0 H ALA A 22 6.974 8.642 0.045 1.00 0.00 H new ATOM 0 HA ALA A 22 5.982 9.461 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.702 8.487 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.912 7.436 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.816 8.419 0.033 1.00 0.00 H new ATOM 277 N MET A 23 3.472 11.017 -1.336 1.00 0.00 N ATOM 278 CA MET A 23 2.790 12.284 -1.561 1.00 0.00 C ATOM 279 C MET A 23 2.541 13.070 -0.271 1.00 0.00 C ATOM 280 O MET A 23 1.392 13.270 0.115 1.00 0.00 O ATOM 281 CB MET A 23 1.498 12.045 -2.358 1.00 0.00 C ATOM 282 CG MET A 23 1.785 11.597 -3.796 1.00 0.00 C ATOM 283 SD MET A 23 2.582 12.830 -4.858 1.00 0.00 S ATOM 284 CE MET A 23 2.825 11.842 -6.350 1.00 0.00 C ATOM 0 H MET A 23 2.863 10.202 -1.406 1.00 0.00 H new ATOM 0 HA MET A 23 3.451 12.917 -2.152 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.897 11.287 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.908 12.961 -2.375 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.418 10.710 -3.761 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.844 11.299 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.309 12.450 -7.114 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.454 10.982 -6.119 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.859 11.496 -6.719 1.00 0.00 H new ATOM 294 N GLY A 24 3.611 13.540 0.376 1.00 0.00 N ATOM 295 CA GLY A 24 3.526 14.459 1.505 1.00 0.00 C ATOM 296 C GLY A 24 3.610 13.814 2.887 1.00 0.00 C ATOM 297 O GLY A 24 2.590 13.560 3.525 1.00 0.00 O ATOM 0 H GLY A 24 4.567 13.289 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.328 15.191 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.586 15.006 1.435 1.00 0.00 H new ATOM 301 N SER A 25 4.833 13.619 3.385 1.00 0.00 N ATOM 302 CA SER A 25 5.102 13.144 4.740 1.00 0.00 C ATOM 303 C SER A 25 4.350 11.866 5.120 1.00 0.00 C ATOM 304 O SER A 25 3.828 11.749 6.227 1.00 0.00 O ATOM 305 CB SER A 25 4.814 14.257 5.745 1.00 0.00 C ATOM 306 OG SER A 25 5.529 15.426 5.395 1.00 0.00 O ATOM 0 H SER A 25 5.681 13.791 2.844 1.00 0.00 H new ATOM 0 HA SER A 25 6.158 12.876 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.745 14.469 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.097 13.935 6.747 1.00 0.00 H new ATOM 0 HG SER A 25 5.336 16.134 6.044 1.00 0.00 H new ATOM 312 N ALA A 26 4.309 10.903 4.206 1.00 0.00 N ATOM 313 CA ALA A 26 3.684 9.615 4.453 1.00 0.00 C ATOM 314 C ALA A 26 4.491 8.843 5.496 1.00 0.00 C ATOM 315 O ALA A 26 5.721 8.899 5.478 1.00 0.00 O ATOM 316 CB ALA A 26 3.642 8.808 3.153 1.00 0.00 C ATOM 0 H ALA A 26 4.710 10.997 3.273 1.00 0.00 H new ATOM 0 HA ALA A 26 2.670 9.774 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.173 7.842 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.066 9.353 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.657 8.654 2.787 1.00 0.00 H new ATOM 322 N LYS A 27 3.821 8.117 6.394 1.00 0.00 N ATOM 323 CA LYS A 27 4.465 7.225 7.325 1.00 0.00 C ATOM 324 C LYS A 27 5.229 6.199 6.479 1.00 0.00 C ATOM 325 O LYS A 27 4.600 5.552 5.640 1.00 0.00 O ATOM 326 CB LYS A 27 3.349 6.531 8.115 1.00 0.00 C ATOM 327 CG LYS A 27 3.084 7.163 9.479 1.00 0.00 C ATOM 328 CD LYS A 27 1.842 6.575 10.173 1.00 0.00 C ATOM 329 CE LYS A 27 2.008 5.137 10.697 1.00 0.00 C ATOM 330 NZ LYS A 27 1.778 4.111 9.662 1.00 0.00 N ATOM 0 H LYS A 27 2.805 8.141 6.486 1.00 0.00 H new ATOM 0 HA LYS A 27 5.145 7.730 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.431 6.554 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.612 5.482 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.955 7.018 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.953 8.238 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.571 7.221 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.008 6.596 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.014 5.018 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.313 4.975 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.909 3.584 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.678 4.570 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.585 3.455 9.638 1.00 0.00 H new ATOM 344 N PRO A 28 6.555 6.046 6.636 1.00 0.00 N ATOM 345 CA PRO A 28 7.308 5.084 5.854 1.00 0.00 C ATOM 346 C PRO A 28 6.679 3.697 5.932 1.00 0.00 C ATOM 347 O PRO A 28 6.260 3.249 6.997 1.00 0.00 O ATOM 348 CB PRO A 28 8.733 5.110 6.407 1.00 0.00 C ATOM 349 CG PRO A 28 8.856 6.540 6.932 1.00 0.00 C ATOM 350 CD PRO A 28 7.451 6.835 7.466 1.00 0.00 C ATOM 0 HA PRO A 28 7.307 5.339 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.875 4.373 7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.472 4.896 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.610 6.619 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.142 7.236 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.362 6.557 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.218 7.898 7.397 1.00 0.00 H new ATOM 358 N VAL A 29 6.598 3.042 4.780 1.00 0.00 N ATOM 359 CA VAL A 29 5.933 1.769 4.577 1.00 0.00 C ATOM 360 C VAL A 29 6.884 0.602 4.798 1.00 0.00 C ATOM 361 O VAL A 29 6.462 -0.455 5.265 1.00 0.00 O ATOM 362 CB VAL A 29 5.387 1.779 3.152 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.552 0.540 2.830 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.504 3.016 2.974 1.00 0.00 C ATOM 0 H VAL A 29 7.016 3.405 3.923 1.00 0.00 H new ATOM 0 HA VAL A 29 5.126 1.639 5.298 1.00 0.00 H new ATOM 0 HB VAL A 29 6.241 1.789 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.190 0.602 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.167 -0.353 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.703 0.486 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.107 3.036 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.679 2.980 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.096 3.914 3.150 1.00 0.00 H new ATOM 374 N LYS A 30 8.149 0.806 4.421 1.00 0.00 N ATOM 375 CA LYS A 30 9.240 -0.147 4.550 1.00 0.00 C ATOM 376 C LYS A 30 9.110 -0.905 5.874 1.00 0.00 C ATOM 377 O LYS A 30 9.406 -0.364 6.938 1.00 0.00 O ATOM 378 CB LYS A 30 10.543 0.655 4.429 1.00 0.00 C ATOM 379 CG LYS A 30 11.855 -0.141 4.453 1.00 0.00 C ATOM 380 CD LYS A 30 12.269 -0.663 5.836 1.00 0.00 C ATOM 381 CE LYS A 30 13.698 -1.215 5.809 1.00 0.00 C ATOM 382 NZ LYS A 30 13.779 -2.452 5.010 1.00 0.00 N ATOM 0 H LYS A 30 8.448 1.685 3.998 1.00 0.00 H new ATOM 0 HA LYS A 30 9.224 -0.910 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.507 1.221 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.572 1.380 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.761 -0.988 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.654 0.491 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.200 0.142 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.579 -1.444 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.372 -0.466 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.033 -1.414 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.771 -2.755 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.220 -3.199 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.403 -2.275 4.057 1.00 0.00 H new ATOM 396 N GLY A 31 8.604 -2.137 5.801 1.00 0.00 N ATOM 397 CA GLY A 31 8.437 -3.021 6.931 1.00 0.00 C ATOM 398 C GLY A 31 7.720 -2.443 8.154 1.00 0.00 C ATOM 399 O GLY A 31 8.192 -2.660 9.267 1.00 0.00 O ATOM 0 H GLY A 31 8.293 -2.550 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.886 -3.900 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.423 -3.363 7.245 1.00 0.00 H new ATOM 403 N GLN A 32 6.575 -1.760 7.986 1.00 0.00 N ATOM 404 CA GLN A 32 5.789 -1.318 9.161 1.00 0.00 C ATOM 405 C GLN A 32 5.471 -2.554 10.008 1.00 0.00 C ATOM 406 O GLN A 32 5.740 -2.644 11.202 1.00 0.00 O ATOM 407 CB GLN A 32 4.472 -0.585 8.817 1.00 0.00 C ATOM 408 CG GLN A 32 4.574 0.395 7.653 1.00 0.00 C ATOM 409 CD GLN A 32 3.348 1.306 7.503 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.219 0.831 7.571 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.555 2.597 7.241 1.00 0.00 N ATOM 0 H GLN A 32 6.179 -1.506 7.081 1.00 0.00 H new ATOM 0 HA GLN A 32 6.399 -0.590 9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.709 -1.328 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.131 -0.045 9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.461 1.014 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.714 -0.166 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.506 2.961 7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.762 3.220 7.090 1.00 0.00 H new ATOM 420 N GLY A 33 4.878 -3.501 9.296 1.00 0.00 N ATOM 421 CA GLY A 33 4.521 -4.852 9.708 1.00 0.00 C ATOM 422 C GLY A 33 3.270 -5.299 8.979 1.00 0.00 C ATOM 423 O GLY A 33 2.321 -4.533 8.864 1.00 0.00 O ATOM 0 H GLY A 33 4.610 -3.328 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.342 -5.536 9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.355 -4.881 10.785 1.00 0.00 H new ATOM 427 N ALA A 34 3.278 -6.531 8.481 1.00 0.00 N ATOM 428 CA ALA A 34 2.198 -7.160 7.739 1.00 0.00 C ATOM 429 C ALA A 34 0.811 -6.871 8.307 1.00 0.00 C ATOM 430 O ALA A 34 -0.106 -6.605 7.542 1.00 0.00 O ATOM 431 CB ALA A 34 2.461 -8.660 7.720 1.00 0.00 C ATOM 0 H ALA A 34 4.083 -7.148 8.592 1.00 0.00 H new ATOM 0 HA ALA A 34 2.190 -6.741 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.666 -9.162 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.418 -8.856 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.488 -9.038 8.742 1.00 0.00 H new ATOM 437 N GLU A 35 0.634 -6.930 9.626 1.00 0.00 N ATOM 438 CA GLU A 35 -0.622 -6.659 10.278 1.00 0.00 C ATOM 439 C GLU A 35 -1.017 -5.196 10.039 1.00 0.00 C ATOM 440 O GLU A 35 -2.120 -4.905 9.577 1.00 0.00 O ATOM 441 CB GLU A 35 -0.421 -6.958 11.768 1.00 0.00 C ATOM 442 CG GLU A 35 -0.240 -8.453 12.091 1.00 0.00 C ATOM 443 CD GLU A 35 1.110 -9.038 11.669 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.076 -8.247 11.575 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.148 -10.264 11.435 1.00 0.00 O ATOM 0 H GLU A 35 1.383 -7.174 10.274 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.429 -7.277 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.454 -6.412 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.279 -6.579 12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.364 -8.597 13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.034 -9.016 11.600 1.00 0.00 H new ATOM 452 N GLU A 36 -0.082 -4.294 10.359 1.00 0.00 N ATOM 453 CA GLU A 36 -0.185 -2.850 10.204 1.00 0.00 C ATOM 454 C GLU A 36 -0.645 -2.560 8.776 1.00 0.00 C ATOM 455 O GLU A 36 -1.707 -1.994 8.519 1.00 0.00 O ATOM 456 CB GLU A 36 1.231 -2.278 10.458 1.00 0.00 C ATOM 457 CG GLU A 36 1.315 -1.017 11.306 1.00 0.00 C ATOM 458 CD GLU A 36 0.821 0.246 10.603 1.00 0.00 C ATOM 459 OE1 GLU A 36 -0.342 0.226 10.149 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.604 1.221 10.560 1.00 0.00 O ATOM 0 H GLU A 36 0.815 -4.575 10.755 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.897 -2.400 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.830 -3.052 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.693 -2.071 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.732 -1.165 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.350 -0.867 11.612 1.00 0.00 H new ATOM 467 N LEU A 37 0.190 -3.017 7.849 1.00 0.00 N ATOM 468 CA LEU A 37 0.057 -2.904 6.436 1.00 0.00 C ATOM 469 C LEU A 37 -1.311 -3.429 6.007 1.00 0.00 C ATOM 470 O LEU A 37 -2.114 -2.650 5.513 1.00 0.00 O ATOM 471 CB LEU A 37 1.250 -3.686 5.884 1.00 0.00 C ATOM 472 CG LEU A 37 2.569 -2.897 5.971 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.759 -3.826 5.725 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.627 -1.766 4.940 1.00 0.00 C ATOM 0 H LEU A 37 1.042 -3.514 8.109 1.00 0.00 H new ATOM 0 HA LEU A 37 0.082 -1.884 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.353 -4.620 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.057 -3.949 4.844 1.00 0.00 H new ATOM 0 HG LEU A 37 2.615 -2.468 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.685 -3.255 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.766 -4.615 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.675 -4.270 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.574 -1.235 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.545 -2.184 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.803 -1.073 5.113 1.00 0.00 H new ATOM 486 N TYR A 38 -1.591 -4.722 6.193 1.00 0.00 N ATOM 487 CA TYR A 38 -2.851 -5.359 5.829 1.00 0.00 C ATOM 488 C TYR A 38 -4.048 -4.493 6.197 1.00 0.00 C ATOM 489 O TYR A 38 -4.890 -4.214 5.347 1.00 0.00 O ATOM 490 CB TYR A 38 -2.966 -6.754 6.454 1.00 0.00 C ATOM 491 CG TYR A 38 -4.305 -7.424 6.202 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.736 -7.668 4.883 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.166 -7.707 7.279 1.00 0.00 C ATOM 494 CE1 TYR A 38 -6.011 -8.210 4.645 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.431 -8.272 7.040 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.844 -8.543 5.725 1.00 0.00 C ATOM 497 OH TYR A 38 -8.056 -9.127 5.508 1.00 0.00 O ATOM 0 H TYR A 38 -0.925 -5.370 6.614 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.855 -5.474 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.172 -7.387 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.805 -6.676 7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.085 -7.438 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.855 -7.490 8.290 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.350 -8.370 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.086 -8.498 7.868 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.037 -9.613 4.657 1.00 0.00 H new ATOM 507 N LYS A 39 -4.116 -4.066 7.457 1.00 0.00 N ATOM 508 CA LYS A 39 -5.207 -3.219 7.909 1.00 0.00 C ATOM 509 C LYS A 39 -5.294 -1.940 7.074 1.00 0.00 C ATOM 510 O LYS A 39 -6.376 -1.573 6.623 1.00 0.00 O ATOM 511 CB LYS A 39 -5.049 -2.900 9.400 1.00 0.00 C ATOM 512 CG LYS A 39 -5.238 -4.127 10.305 1.00 0.00 C ATOM 513 CD LYS A 39 -6.686 -4.639 10.315 1.00 0.00 C ATOM 514 CE LYS A 39 -6.888 -5.726 11.376 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.063 -6.918 11.108 1.00 0.00 N ATOM 0 H LYS A 39 -3.430 -4.294 8.176 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.143 -3.761 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.058 -2.479 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.773 -2.135 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.577 -4.926 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.940 -3.872 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.366 -3.809 10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.940 -5.036 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.638 -5.325 12.358 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.939 -6.012 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.279 -7.655 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.271 -7.277 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.056 -6.665 11.171 1.00 0.00 H new ATOM 529 N LYS A 40 -4.172 -1.257 6.858 1.00 0.00 N ATOM 530 CA LYS A 40 -4.124 -0.035 6.096 1.00 0.00 C ATOM 531 C LYS A 40 -4.478 -0.250 4.616 1.00 0.00 C ATOM 532 O LYS A 40 -5.358 0.449 4.113 1.00 0.00 O ATOM 533 CB LYS A 40 -2.739 0.564 6.309 1.00 0.00 C ATOM 534 CG LYS A 40 -2.480 0.992 7.764 1.00 0.00 C ATOM 535 CD LYS A 40 -3.203 2.294 8.131 1.00 0.00 C ATOM 536 CE LYS A 40 -3.032 2.648 9.613 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.616 2.818 9.982 1.00 0.00 N ATOM 0 H LYS A 40 -3.264 -1.550 7.217 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.884 0.666 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.985 -0.165 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.620 1.429 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.805 0.198 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.408 1.120 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.818 3.108 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.264 2.196 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.576 3.567 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.474 1.863 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.551 3.356 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.176 1.884 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.120 3.334 9.227 1.00 0.00 H new ATOM 551 N MET A 41 -3.836 -1.189 3.901 1.00 0.00 N ATOM 552 CA MET A 41 -4.205 -1.451 2.507 1.00 0.00 C ATOM 553 C MET A 41 -5.679 -1.856 2.428 1.00 0.00 C ATOM 554 O MET A 41 -6.380 -1.419 1.516 1.00 0.00 O ATOM 555 CB MET A 41 -3.267 -2.418 1.744 1.00 0.00 C ATOM 556 CG MET A 41 -2.613 -3.596 2.488 1.00 0.00 C ATOM 557 SD MET A 41 -0.863 -3.355 2.866 1.00 0.00 S ATOM 558 CE MET A 41 -0.205 -3.099 1.211 1.00 0.00 C ATOM 0 H MET A 41 -3.075 -1.766 4.259 1.00 0.00 H new ATOM 0 HA MET A 41 -4.066 -0.513 1.970 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.836 -2.834 0.913 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.464 -1.820 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.154 -3.768 3.419 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.722 -4.497 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.645 -3.762 1.051 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.978 -3.316 0.474 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.117 -2.063 1.104 1.00 0.00 H new ATOM 568 N LYS A 42 -6.170 -2.654 3.385 1.00 0.00 N ATOM 569 CA LYS A 42 -7.579 -3.010 3.424 1.00 0.00 C ATOM 570 C LYS A 42 -8.421 -1.745 3.622 1.00 0.00 C ATOM 571 O LYS A 42 -9.438 -1.587 2.958 1.00 0.00 O ATOM 572 CB LYS A 42 -7.828 -4.068 4.505 1.00 0.00 C ATOM 573 CG LYS A 42 -9.295 -4.518 4.542 1.00 0.00 C ATOM 574 CD LYS A 42 -9.485 -5.783 5.390 1.00 0.00 C ATOM 575 CE LYS A 42 -8.925 -5.663 6.813 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.483 -4.502 7.529 1.00 0.00 N ATOM 0 H LYS A 42 -5.610 -3.059 4.135 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.881 -3.456 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.188 -4.931 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.548 -3.665 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.911 -3.715 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.643 -4.706 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.548 -6.015 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.002 -6.621 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.149 -6.574 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.839 -5.575 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.158 -4.515 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.163 -3.625 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.522 -4.546 7.505 1.00 0.00 H new ATOM 590 N GLY A 43 -8.006 -0.845 4.518 1.00 0.00 N ATOM 591 CA GLY A 43 -8.675 0.419 4.780 1.00 0.00 C ATOM 592 C GLY A 43 -8.800 1.253 3.504 1.00 0.00 C ATOM 593 O GLY A 43 -9.889 1.727 3.168 1.00 0.00 O ATOM 0 H GLY A 43 -7.174 -0.985 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.666 0.230 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.118 0.979 5.531 1.00 0.00 H new ATOM 597 N TYR A 44 -7.680 1.422 2.794 1.00 0.00 N ATOM 598 CA TYR A 44 -7.627 2.137 1.536 1.00 0.00 C ATOM 599 C TYR A 44 -8.568 1.467 0.531 1.00 0.00 C ATOM 600 O TYR A 44 -9.462 2.118 0.001 1.00 0.00 O ATOM 601 CB TYR A 44 -6.182 2.157 1.016 1.00 0.00 C ATOM 602 CG TYR A 44 -5.241 3.189 1.620 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.535 4.559 1.496 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.001 2.803 2.170 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.709 5.514 2.113 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.128 3.773 2.697 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.508 5.122 2.717 1.00 0.00 C ATOM 608 OH TYR A 44 -2.685 6.066 3.255 1.00 0.00 O ATOM 0 H TYR A 44 -6.775 1.056 3.091 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.952 3.168 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.750 1.170 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.213 2.317 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.396 4.877 0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.721 1.760 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.001 6.554 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.165 3.478 3.086 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.894 5.631 3.636 1.00 0.00 H new ATOM 618 N ALA A 45 -8.388 0.168 0.276 1.00 0.00 N ATOM 619 CA ALA A 45 -9.219 -0.574 -0.669 1.00 0.00 C ATOM 620 C ALA A 45 -10.705 -0.463 -0.321 1.00 0.00 C ATOM 621 O ALA A 45 -11.538 -0.277 -1.201 1.00 0.00 O ATOM 622 CB ALA A 45 -8.778 -2.036 -0.717 1.00 0.00 C ATOM 0 H ALA A 45 -7.663 -0.396 0.719 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.086 -0.133 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.403 -2.582 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.737 -2.092 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.879 -2.479 0.274 1.00 0.00 H new ATOM 628 N ASP A 46 -11.043 -0.584 0.961 1.00 0.00 N ATOM 629 CA ASP A 46 -12.406 -0.447 1.452 1.00 0.00 C ATOM 630 C ASP A 46 -12.914 0.974 1.196 1.00 0.00 C ATOM 631 O ASP A 46 -14.080 1.167 0.865 1.00 0.00 O ATOM 632 CB ASP A 46 -12.429 -0.789 2.945 1.00 0.00 C ATOM 633 CG ASP A 46 -13.765 -0.445 3.589 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.736 -1.187 3.330 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.776 0.554 4.340 1.00 0.00 O ATOM 0 H ASP A 46 -10.365 -0.783 1.696 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.068 -1.133 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.226 -1.852 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.631 -0.247 3.453 1.00 0.00 H new ATOM 640 N GLY A 47 -12.034 1.965 1.356 1.00 0.00 N ATOM 641 CA GLY A 47 -12.340 3.371 1.153 1.00 0.00 C ATOM 642 C GLY A 47 -12.674 4.060 2.473 1.00 0.00 C ATOM 643 O GLY A 47 -13.349 5.086 2.474 1.00 0.00 O ATOM 0 H GLY A 47 -11.067 1.801 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.489 3.867 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.181 3.467 0.467 1.00 0.00 H new ATOM 647 N SER A 48 -12.203 3.507 3.595 1.00 0.00 N ATOM 648 CA SER A 48 -12.387 4.092 4.915 1.00 0.00 C ATOM 649 C SER A 48 -11.133 4.903 5.208 1.00 0.00 C ATOM 650 O SER A 48 -11.160 6.131 5.267 1.00 0.00 O ATOM 651 CB SER A 48 -12.590 2.981 5.949 1.00 0.00 C ATOM 652 OG SER A 48 -11.753 1.880 5.643 1.00 0.00 O ATOM 0 H SER A 48 -11.679 2.632 3.606 1.00 0.00 H new ATOM 0 HA SER A 48 -13.268 4.732 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.363 3.355 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.633 2.665 5.956 1.00 0.00 H new ATOM 0 HG SER A 48 -12.260 1.217 5.130 1.00 0.00 H new ATOM 658 N TYR A 49 -10.016 4.193 5.369 1.00 0.00 N ATOM 659 CA TYR A 49 -8.717 4.810 5.574 1.00 0.00 C ATOM 660 C TYR A 49 -8.258 5.386 4.233 1.00 0.00 C ATOM 661 O TYR A 49 -7.386 4.816 3.590 1.00 0.00 O ATOM 662 CB TYR A 49 -7.722 3.777 6.131 1.00 0.00 C ATOM 663 CG TYR A 49 -6.427 4.386 6.636 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.392 4.991 7.904 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.273 4.391 5.829 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.214 5.607 8.359 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.103 5.032 6.275 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.075 5.646 7.539 1.00 0.00 C ATOM 669 OH TYR A 49 -2.933 6.224 8.011 1.00 0.00 O ATOM 0 H TYR A 49 -9.993 3.173 5.360 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.776 5.615 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.198 3.230 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.492 3.051 5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.272 4.982 8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.286 3.902 4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.185 6.052 9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.226 5.052 5.646 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.347 6.452 7.259 1.00 0.00 H new ATOM 679 N GLY A 50 -8.859 6.488 3.781 1.00 0.00 N ATOM 680 CA GLY A 50 -8.521 7.113 2.512 1.00 0.00 C ATOM 681 C GLY A 50 -8.990 8.566 2.485 1.00 0.00 C ATOM 682 O GLY A 50 -9.474 9.081 3.490 1.00 0.00 O ATOM 0 H GLY A 50 -9.598 6.971 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.443 7.070 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.984 6.561 1.694 1.00 0.00 H new ATOM 686 N GLY A 51 -8.839 9.233 1.337 1.00 0.00 N ATOM 687 CA GLY A 51 -9.215 10.623 1.153 1.00 0.00 C ATOM 688 C GLY A 51 -8.746 11.099 -0.221 1.00 0.00 C ATOM 689 O GLY A 51 -8.074 10.355 -0.936 1.00 0.00 O ATOM 0 H GLY A 51 -8.444 8.807 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.296 10.733 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.769 11.238 1.935 1.00 0.00 H new ATOM 693 N GLU A 52 -9.071 12.347 -0.575 1.00 0.00 N ATOM 694 CA GLU A 52 -8.738 12.947 -1.865 1.00 0.00 C ATOM 695 C GLU A 52 -7.275 12.708 -2.250 1.00 0.00 C ATOM 696 O GLU A 52 -6.991 12.191 -3.326 1.00 0.00 O ATOM 697 CB GLU A 52 -9.057 14.448 -1.841 1.00 0.00 C ATOM 698 CG GLU A 52 -10.556 14.718 -1.648 1.00 0.00 C ATOM 699 CD GLU A 52 -10.847 16.215 -1.674 1.00 0.00 C ATOM 700 OE1 GLU A 52 -10.610 16.853 -0.626 1.00 0.00 O ATOM 701 OE2 GLU A 52 -11.287 16.692 -2.742 1.00 0.00 O ATOM 0 H GLU A 52 -9.583 12.978 0.042 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.349 12.463 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.497 14.924 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.724 14.904 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.124 14.219 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.887 14.296 -0.699 1.00 0.00 H new ATOM 708 N ARG A 53 -6.344 13.058 -1.360 1.00 0.00 N ATOM 709 CA ARG A 53 -4.920 12.896 -1.585 1.00 0.00 C ATOM 710 C ARG A 53 -4.508 11.434 -1.803 1.00 0.00 C ATOM 711 O ARG A 53 -3.464 11.170 -2.393 1.00 0.00 O ATOM 712 CB ARG A 53 -4.183 13.521 -0.395 1.00 0.00 C ATOM 713 CG ARG A 53 -4.350 12.737 0.918 1.00 0.00 C ATOM 714 CD ARG A 53 -3.606 13.414 2.074 1.00 0.00 C ATOM 715 NE ARG A 53 -2.153 13.322 1.878 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.227 13.389 2.844 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.569 13.609 4.116 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.056 13.229 2.522 1.00 0.00 N ATOM 0 H ARG A 53 -6.569 13.467 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.648 13.404 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.122 13.592 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.545 14.539 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.409 12.657 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.975 11.722 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.904 14.460 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.882 12.942 3.017 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.820 13.196 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.550 13.729 4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.849 13.657 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.321 13.058 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.773 13.277 3.246 1.00 0.00 H new ATOM 732 N LYS A 54 -5.303 10.490 -1.292 1.00 0.00 N ATOM 733 CA LYS A 54 -5.035 9.064 -1.371 1.00 0.00 C ATOM 734 C LYS A 54 -5.632 8.470 -2.647 1.00 0.00 C ATOM 735 O LYS A 54 -5.080 7.505 -3.161 1.00 0.00 O ATOM 736 CB LYS A 54 -5.594 8.366 -0.123 1.00 0.00 C ATOM 737 CG LYS A 54 -5.227 9.076 1.192 1.00 0.00 C ATOM 738 CD LYS A 54 -3.712 9.085 1.441 1.00 0.00 C ATOM 739 CE LYS A 54 -3.408 9.673 2.824 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.015 10.139 2.916 1.00 0.00 N ATOM 0 H LYS A 54 -6.170 10.709 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.957 8.905 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.679 8.307 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.221 7.342 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.595 10.101 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.728 8.580 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.319 8.071 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.213 9.672 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.085 10.503 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.592 8.920 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.812 10.437 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.372 9.366 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.875 10.944 2.272 1.00 0.00 H new ATOM 754 N ALA A 55 -6.735 9.041 -3.151 1.00 0.00 N ATOM 755 CA ALA A 55 -7.506 8.605 -4.318 1.00 0.00 C ATOM 756 C ALA A 55 -6.769 7.703 -5.318 1.00 0.00 C ATOM 757 O ALA A 55 -7.241 6.607 -5.615 1.00 0.00 O ATOM 758 CB ALA A 55 -8.098 9.824 -5.030 1.00 0.00 C ATOM 0 H ALA A 55 -7.137 9.875 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.290 7.965 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.671 9.496 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.753 10.363 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.292 10.482 -5.355 1.00 0.00 H new ATOM 764 N MET A 56 -5.637 8.159 -5.863 1.00 0.00 N ATOM 765 CA MET A 56 -4.850 7.381 -6.815 1.00 0.00 C ATOM 766 C MET A 56 -4.468 6.023 -6.212 1.00 0.00 C ATOM 767 O MET A 56 -4.759 4.970 -6.780 1.00 0.00 O ATOM 768 CB MET A 56 -3.603 8.174 -7.230 1.00 0.00 C ATOM 769 CG MET A 56 -3.930 9.494 -7.943 1.00 0.00 C ATOM 770 SD MET A 56 -4.841 9.356 -9.507 1.00 0.00 S ATOM 771 CE MET A 56 -6.515 9.769 -8.963 1.00 0.00 C ATOM 0 H MET A 56 -5.244 9.077 -5.655 1.00 0.00 H new ATOM 0 HA MET A 56 -5.450 7.192 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.005 8.387 -6.344 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.991 7.556 -7.887 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.511 10.116 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.995 10.020 -8.136 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.195 9.728 -9.814 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.838 9.055 -8.206 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.523 10.774 -8.541 1.00 0.00 H new ATOM 781 N MET A 57 -3.831 6.055 -5.039 1.00 0.00 N ATOM 782 CA MET A 57 -3.467 4.862 -4.299 1.00 0.00 C ATOM 783 C MET A 57 -4.733 4.073 -3.996 1.00 0.00 C ATOM 784 O MET A 57 -4.754 2.867 -4.217 1.00 0.00 O ATOM 785 CB MET A 57 -2.736 5.242 -3.006 1.00 0.00 C ATOM 786 CG MET A 57 -2.599 4.055 -2.041 1.00 0.00 C ATOM 787 SD MET A 57 -1.557 4.372 -0.600 1.00 0.00 S ATOM 788 CE MET A 57 -2.092 6.022 -0.100 1.00 0.00 C ATOM 0 H MET A 57 -3.554 6.922 -4.579 1.00 0.00 H new ATOM 0 HA MET A 57 -2.791 4.246 -4.893 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.745 5.624 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.275 6.049 -2.511 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.593 3.766 -1.698 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.191 3.205 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.706 6.244 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.712 6.758 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.181 6.062 -0.084 1.00 0.00 H new ATOM 798 N THR A 58 -5.774 4.746 -3.491 1.00 0.00 N ATOM 799 CA THR A 58 -7.041 4.117 -3.155 1.00 0.00 C ATOM 800 C THR A 58 -7.523 3.248 -4.322 1.00 0.00 C ATOM 801 O THR A 58 -7.793 2.065 -4.137 1.00 0.00 O ATOM 802 CB THR A 58 -8.060 5.192 -2.751 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.418 6.163 -1.949 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.218 4.612 -1.940 1.00 0.00 C ATOM 0 H THR A 58 -5.753 5.749 -3.306 1.00 0.00 H new ATOM 0 HA THR A 58 -6.916 3.453 -2.300 1.00 0.00 H new ATOM 0 HB THR A 58 -8.456 5.624 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.064 6.853 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.913 5.409 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.737 3.859 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.831 4.153 -1.030 1.00 0.00 H new ATOM 812 N ASN A 59 -7.588 3.807 -5.534 1.00 0.00 N ATOM 813 CA ASN A 59 -8.009 3.042 -6.700 1.00 0.00 C ATOM 814 C ASN A 59 -6.987 1.956 -7.028 1.00 0.00 C ATOM 815 O ASN A 59 -7.383 0.845 -7.372 1.00 0.00 O ATOM 816 CB ASN A 59 -8.234 3.950 -7.913 1.00 0.00 C ATOM 817 CG ASN A 59 -9.070 3.310 -9.031 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.654 4.033 -9.829 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.182 1.982 -9.133 1.00 0.00 N ATOM 0 H ASN A 59 -7.355 4.781 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.959 2.566 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.728 4.863 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.266 4.241 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.752 1.574 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.697 1.377 -8.470 1.00 0.00 H new ATOM 826 N ALA A 60 -5.687 2.254 -6.943 1.00 0.00 N ATOM 827 CA ALA A 60 -4.654 1.273 -7.257 1.00 0.00 C ATOM 828 C ALA A 60 -4.840 0.016 -6.407 1.00 0.00 C ATOM 829 O ALA A 60 -4.834 -1.097 -6.927 1.00 0.00 O ATOM 830 CB ALA A 60 -3.259 1.878 -7.067 1.00 0.00 C ATOM 0 H ALA A 60 -5.329 3.166 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.748 0.986 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.503 1.131 -7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.142 2.737 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.139 2.197 -6.032 1.00 0.00 H new ATOM 836 N VAL A 61 -5.036 0.198 -5.100 1.00 0.00 N ATOM 837 CA VAL A 61 -5.221 -0.909 -4.177 1.00 0.00 C ATOM 838 C VAL A 61 -6.657 -1.456 -4.221 1.00 0.00 C ATOM 839 O VAL A 61 -6.850 -2.627 -3.913 1.00 0.00 O ATOM 840 CB VAL A 61 -4.721 -0.509 -2.781 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.645 0.482 -2.079 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.526 -1.730 -1.881 1.00 0.00 C ATOM 0 H VAL A 61 -5.070 1.117 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.609 -1.756 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.761 -0.020 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.238 0.726 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.724 1.391 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.633 0.038 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.172 -1.407 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.475 -2.255 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.792 -2.399 -2.330 1.00 0.00 H new ATOM 852 N LYS A 62 -7.661 -0.665 -4.633 1.00 0.00 N ATOM 853 CA LYS A 62 -9.046 -1.129 -4.780 1.00 0.00 C ATOM 854 C LYS A 62 -9.084 -2.417 -5.606 1.00 0.00 C ATOM 855 O LYS A 62 -9.895 -3.303 -5.349 1.00 0.00 O ATOM 856 CB LYS A 62 -9.901 -0.041 -5.459 1.00 0.00 C ATOM 857 CG LYS A 62 -11.390 -0.378 -5.658 1.00 0.00 C ATOM 858 CD LYS A 62 -12.234 -0.319 -4.379 1.00 0.00 C ATOM 859 CE LYS A 62 -12.392 1.115 -3.851 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.373 1.180 -2.753 1.00 0.00 N ATOM 0 H LYS A 62 -7.532 0.318 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.455 -1.332 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.832 0.871 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.466 0.179 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.811 0.313 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.469 -1.378 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.219 -0.742 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.770 -0.938 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.428 1.484 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.708 1.770 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.557 2.174 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.260 0.727 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.995 0.685 -1.920 1.00 0.00 H new ATOM 874 N LYS A 63 -8.211 -2.517 -6.614 1.00 0.00 N ATOM 875 CA LYS A 63 -8.119 -3.646 -7.494 1.00 0.00 C ATOM 876 C LYS A 63 -7.773 -4.949 -6.750 1.00 0.00 C ATOM 877 O LYS A 63 -8.119 -6.034 -7.211 1.00 0.00 O ATOM 878 CB LYS A 63 -7.031 -3.323 -8.521 1.00 0.00 C ATOM 879 CG LYS A 63 -7.126 -1.965 -9.236 1.00 0.00 C ATOM 880 CD LYS A 63 -8.528 -1.585 -9.735 1.00 0.00 C ATOM 881 CE LYS A 63 -9.095 -2.566 -10.770 1.00 0.00 C ATOM 882 NZ LYS A 63 -8.247 -2.653 -11.972 1.00 0.00 N ATOM 0 H LYS A 63 -7.537 -1.783 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.087 -3.815 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.065 -3.374 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.038 -4.106 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.778 -1.189 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.445 -1.972 -10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.207 -1.534 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.491 -0.588 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.188 -3.554 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.098 -2.251 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.716 -3.246 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.095 -1.700 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.330 -3.074 -11.720 1.00 0.00 H new ATOM 896 N ALA A 64 -7.051 -4.848 -5.629 1.00 0.00 N ATOM 897 CA ALA A 64 -6.578 -5.976 -4.843 1.00 0.00 C ATOM 898 C ALA A 64 -7.664 -6.491 -3.895 1.00 0.00 C ATOM 899 O ALA A 64 -8.118 -5.757 -3.021 1.00 0.00 O ATOM 900 CB ALA A 64 -5.348 -5.524 -4.043 1.00 0.00 C ATOM 0 H ALA A 64 -6.775 -3.948 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.317 -6.795 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.977 -6.356 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.568 -5.194 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.624 -4.700 -3.385 1.00 0.00 H new ATOM 906 N SER A 65 -8.064 -7.758 -4.050 1.00 0.00 N ATOM 907 CA SER A 65 -8.985 -8.407 -3.116 1.00 0.00 C ATOM 908 C SER A 65 -8.182 -8.927 -1.916 1.00 0.00 C ATOM 909 O SER A 65 -6.998 -8.635 -1.785 1.00 0.00 O ATOM 910 CB SER A 65 -9.816 -9.500 -3.804 1.00 0.00 C ATOM 911 OG SER A 65 -10.811 -9.982 -2.917 1.00 0.00 O ATOM 0 H SER A 65 -7.761 -8.356 -4.819 1.00 0.00 H new ATOM 0 HA SER A 65 -9.714 -7.683 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.282 -9.101 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.168 -10.319 -4.116 1.00 0.00 H new ATOM 0 HG SER A 65 -11.338 -10.677 -3.363 1.00 0.00 H new ATOM 917 N ASP A 66 -8.793 -9.724 -1.043 1.00 0.00 N ATOM 918 CA ASP A 66 -8.157 -10.157 0.199 1.00 0.00 C ATOM 919 C ASP A 66 -6.777 -10.803 0.030 1.00 0.00 C ATOM 920 O ASP A 66 -5.826 -10.380 0.685 1.00 0.00 O ATOM 921 CB ASP A 66 -9.103 -11.052 1.005 1.00 0.00 C ATOM 922 CG ASP A 66 -8.487 -11.412 2.354 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.266 -10.472 3.150 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.239 -12.619 2.561 1.00 0.00 O ATOM 0 H ASP A 66 -9.737 -10.086 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.960 -9.243 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.053 -10.540 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.318 -11.961 0.444 1.00 0.00 H new ATOM 929 N GLU A 67 -6.657 -11.824 -0.824 1.00 0.00 N ATOM 930 CA GLU A 67 -5.383 -12.513 -1.022 1.00 0.00 C ATOM 931 C GLU A 67 -4.292 -11.513 -1.403 1.00 0.00 C ATOM 932 O GLU A 67 -3.204 -11.490 -0.833 1.00 0.00 O ATOM 933 CB GLU A 67 -5.527 -13.610 -2.087 1.00 0.00 C ATOM 934 CG GLU A 67 -4.302 -14.533 -2.106 1.00 0.00 C ATOM 935 CD GLU A 67 -4.435 -15.599 -3.188 1.00 0.00 C ATOM 936 OE1 GLU A 67 -4.028 -15.300 -4.331 1.00 0.00 O ATOM 937 OE2 GLU A 67 -4.954 -16.686 -2.854 1.00 0.00 O ATOM 0 H GLU A 67 -7.425 -12.189 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.092 -12.990 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.424 -14.197 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.656 -13.153 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.402 -13.944 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.187 -15.010 -1.133 1.00 0.00 H new ATOM 944 N GLU A 68 -4.616 -10.679 -2.381 1.00 0.00 N ATOM 945 CA GLU A 68 -3.783 -9.654 -2.929 1.00 0.00 C ATOM 946 C GLU A 68 -3.371 -8.653 -1.849 1.00 0.00 C ATOM 947 O GLU A 68 -2.194 -8.330 -1.720 1.00 0.00 O ATOM 948 CB GLU A 68 -4.630 -9.014 -4.017 1.00 0.00 C ATOM 949 CG GLU A 68 -5.034 -10.003 -5.119 1.00 0.00 C ATOM 950 CD GLU A 68 -6.496 -10.404 -4.994 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.800 -11.176 -4.058 1.00 0.00 O ATOM 952 OE2 GLU A 68 -7.299 -9.864 -5.785 1.00 0.00 O ATOM 0 H GLU A 68 -5.530 -10.715 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.846 -10.040 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.529 -8.590 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.076 -8.188 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.861 -9.552 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.405 -10.891 -5.062 1.00 0.00 H new ATOM 959 N LEU A 69 -4.341 -8.158 -1.079 1.00 0.00 N ATOM 960 CA LEU A 69 -4.094 -7.238 0.022 1.00 0.00 C ATOM 961 C LEU A 69 -3.092 -7.858 0.992 1.00 0.00 C ATOM 962 O LEU A 69 -2.097 -7.224 1.345 1.00 0.00 O ATOM 963 CB LEU A 69 -5.405 -6.896 0.748 1.00 0.00 C ATOM 964 CG LEU A 69 -6.339 -6.003 -0.082 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.748 -6.009 0.522 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.837 -4.561 -0.123 1.00 0.00 C ATOM 0 H LEU A 69 -5.326 -8.389 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.679 -6.313 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.925 -7.820 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.173 -6.394 1.687 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.359 -6.404 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.402 -5.373 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.138 -7.027 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.707 -5.632 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.520 -3.955 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.789 -4.164 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.844 -4.534 -0.571 1.00 0.00 H new ATOM 978 N LYS A 70 -3.339 -9.102 1.412 1.00 0.00 N ATOM 979 CA LYS A 70 -2.450 -9.802 2.321 1.00 0.00 C ATOM 980 C LYS A 70 -1.066 -9.955 1.701 1.00 0.00 C ATOM 981 O LYS A 70 -0.061 -9.778 2.382 1.00 0.00 O ATOM 982 CB LYS A 70 -3.050 -11.166 2.672 1.00 0.00 C ATOM 983 CG LYS A 70 -4.333 -11.018 3.499 1.00 0.00 C ATOM 984 CD LYS A 70 -5.173 -12.299 3.477 1.00 0.00 C ATOM 985 CE LYS A 70 -4.340 -13.524 3.852 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.190 -14.714 4.030 1.00 0.00 N ATOM 0 H LYS A 70 -4.157 -9.642 1.129 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.340 -9.222 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.267 -11.716 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.321 -11.753 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.076 -10.769 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.924 -10.189 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.008 -12.199 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.599 -12.438 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.600 -13.716 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.791 -13.325 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.597 -15.530 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.879 -14.538 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.695 -14.916 3.143 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.002 -10.278 0.411 1.00 0.00 N ATOM 1001 CA ALA A 71 0.262 -10.435 -0.282 1.00 0.00 C ATOM 1002 C ALA A 71 1.019 -9.116 -0.389 1.00 0.00 C ATOM 1003 O ALA A 71 2.238 -9.099 -0.238 1.00 0.00 O ATOM 1004 CB ALA A 71 0.019 -11.043 -1.663 1.00 0.00 C ATOM 0 H ALA A 71 -1.822 -10.436 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 71 0.889 -11.111 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.971 -11.160 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.456 -12.018 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.631 -10.386 -2.241 1.00 0.00 H new ATOM 1010 N LEU A 72 0.327 -8.004 -0.646 1.00 0.00 N ATOM 1011 CA LEU A 72 0.959 -6.712 -0.738 1.00 0.00 C ATOM 1012 C LEU A 72 1.488 -6.343 0.645 1.00 0.00 C ATOM 1013 O LEU A 72 2.625 -5.888 0.778 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.082 -5.721 -1.250 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.180 -5.665 -2.780 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.466 -4.919 -3.151 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.036 -4.934 -3.370 1.00 0.00 C ATOM 0 H LEU A 72 -0.682 -7.987 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 72 1.802 -6.706 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.057 -5.988 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.160 -4.727 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.197 -6.677 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.556 -4.867 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.325 -5.449 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.432 -3.910 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.950 -4.903 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.073 -3.917 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.948 -5.463 -3.093 1.00 0.00 H new ATOM 1029 N ALA A 73 0.662 -6.557 1.674 1.00 0.00 N ATOM 1030 CA ALA A 73 1.076 -6.351 3.047 1.00 0.00 C ATOM 1031 C ALA A 73 2.328 -7.171 3.342 1.00 0.00 C ATOM 1032 O ALA A 73 3.314 -6.630 3.832 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.061 -6.721 3.997 1.00 0.00 C ATOM 0 H ALA A 73 -0.302 -6.875 1.571 1.00 0.00 H new ATOM 0 HA ALA A 73 1.315 -5.298 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.259 -6.563 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.929 -6.096 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.326 -7.769 3.856 1.00 0.00 H new ATOM 1039 N ASP A 74 2.307 -8.472 3.036 1.00 0.00 N ATOM 1040 CA ASP A 74 3.455 -9.334 3.264 1.00 0.00 C ATOM 1041 C ASP A 74 4.682 -8.798 2.528 1.00 0.00 C ATOM 1042 O ASP A 74 5.747 -8.701 3.129 1.00 0.00 O ATOM 1043 CB ASP A 74 3.157 -10.778 2.856 1.00 0.00 C ATOM 1044 CG ASP A 74 4.373 -11.664 3.118 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.814 -11.694 4.288 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.844 -12.286 2.142 1.00 0.00 O ATOM 0 H ASP A 74 1.501 -8.946 2.629 1.00 0.00 H new ATOM 0 HA ASP A 74 3.669 -9.334 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.299 -11.151 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.891 -10.817 1.800 1.00 0.00 H new ATOM 1051 N TYR A 75 4.535 -8.441 1.247 1.00 0.00 N ATOM 1052 CA TYR A 75 5.619 -7.879 0.454 1.00 0.00 C ATOM 1053 C TYR A 75 6.252 -6.708 1.209 1.00 0.00 C ATOM 1054 O TYR A 75 7.408 -6.780 1.616 1.00 0.00 O ATOM 1055 CB TYR A 75 5.078 -7.463 -0.923 1.00 0.00 C ATOM 1056 CG TYR A 75 6.115 -6.931 -1.892 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.834 -7.816 -2.717 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.331 -5.545 -2.000 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.764 -7.312 -3.644 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.274 -5.046 -2.914 1.00 0.00 C ATOM 1061 CZ TYR A 75 7.978 -5.928 -3.749 1.00 0.00 C ATOM 1062 OH TYR A 75 8.863 -5.445 -4.665 1.00 0.00 O ATOM 0 H TYR A 75 3.657 -8.536 0.736 1.00 0.00 H new ATOM 0 HA TYR A 75 6.400 -8.622 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.588 -8.324 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.313 -6.700 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.672 -8.881 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.770 -4.863 -1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.315 -7.991 -4.277 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.457 -3.983 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 75 8.499 -4.632 -5.074 1.00 0.00 H new ATOM 1072 N MET A 76 5.473 -5.648 1.444 1.00 0.00 N ATOM 1073 CA MET A 76 5.938 -4.457 2.158 1.00 0.00 C ATOM 1074 C MET A 76 6.497 -4.785 3.541 1.00 0.00 C ATOM 1075 O MET A 76 7.413 -4.121 4.024 1.00 0.00 O ATOM 1076 CB MET A 76 4.793 -3.454 2.276 1.00 0.00 C ATOM 1077 CG MET A 76 4.585 -2.754 0.941 1.00 0.00 C ATOM 1078 SD MET A 76 3.079 -1.768 0.857 1.00 0.00 S ATOM 1079 CE MET A 76 2.605 -2.252 -0.800 1.00 0.00 C ATOM 0 H MET A 76 4.500 -5.592 1.143 1.00 0.00 H new ATOM 0 HA MET A 76 6.755 -4.025 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.878 -3.965 2.576 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.017 -2.721 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.441 -2.109 0.744 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.561 -3.503 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.938 -1.500 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.495 -2.337 -1.423 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.093 -3.213 -0.766 1.00 0.00 H new ATOM 1089 N SER A 77 5.923 -5.795 4.189 1.00 0.00 N ATOM 1090 CA SER A 77 6.368 -6.232 5.503 1.00 0.00 C ATOM 1091 C SER A 77 7.779 -6.824 5.491 1.00 0.00 C ATOM 1092 O SER A 77 8.344 -6.965 6.574 1.00 0.00 O ATOM 1093 CB SER A 77 5.409 -7.260 6.106 1.00 0.00 C ATOM 1094 OG SER A 77 5.714 -7.458 7.479 1.00 0.00 O ATOM 0 H SER A 77 5.139 -6.330 3.817 1.00 0.00 H new ATOM 0 HA SER A 77 6.381 -5.331 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.380 -6.917 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.488 -8.204 5.567 1.00 0.00 H new ATOM 0 HG SER A 77 6.683 -7.391 7.612 1.00 0.00 H new ATOM 1100 N LYS A 78 8.308 -7.238 4.333 1.00 0.00 N ATOM 1101 CA LYS A 78 9.614 -7.871 4.216 1.00 0.00 C ATOM 1102 C LYS A 78 10.391 -7.095 3.154 1.00 0.00 C ATOM 1103 O LYS A 78 10.880 -7.677 2.187 1.00 0.00 O ATOM 1104 CB LYS A 78 9.422 -9.341 3.796 1.00 0.00 C ATOM 1105 CG LYS A 78 8.442 -10.154 4.656 1.00 0.00 C ATOM 1106 CD LYS A 78 8.901 -10.324 6.109 1.00 0.00 C ATOM 1107 CE LYS A 78 7.921 -11.199 6.904 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.551 -10.650 6.906 1.00 0.00 N ATOM 0 H LYS A 78 7.827 -7.138 3.439 1.00 0.00 H new ATOM 0 HA LYS A 78 10.159 -7.859 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.075 -9.363 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.393 -9.836 3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.469 -9.664 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.308 -11.139 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.893 -10.775 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.986 -9.346 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.907 -12.202 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.273 -11.293 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.053 -10.962 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.593 -9.611 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.040 -10.989 6.066 1.00 0.00 H new ATOM 1122 N LEU A 79 10.487 -5.776 3.321 1.00 0.00 N ATOM 1123 CA LEU A 79 11.011 -4.874 2.340 1.00 0.00 C ATOM 1124 C LEU A 79 11.543 -3.667 3.103 1.00 0.00 C ATOM 1125 O LEU A 79 10.995 -3.425 4.204 1.00 0.00 O ATOM 1126 CB LEU A 79 9.782 -4.514 1.513 1.00 0.00 C ATOM 1127 CG LEU A 79 10.050 -3.601 0.335 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.868 -4.336 -0.733 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.690 -3.185 -0.235 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.480 -3.017 2.591 1.00 0.00 O ATOM 0 H LEU A 79 10.188 -5.308 4.176 1.00 0.00 H new ATOM 0 HA LEU A 79 11.813 -5.262 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.328 -5.434 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.051 -4.036 2.165 1.00 0.00 H new ATOM 0 HG LEU A 79 10.622 -2.728 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.053 -3.667 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.819 -4.655 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.314 -5.209 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.840 -2.524 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.143 -4.072 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.118 -2.663 0.532 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.740 3.898 -0.736 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.389 4.669 2.543 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.241 0.742 0.252 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.598 2.977 -3.955 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.006 7.189 -1.549 1.00 10.53 C HETATM 1148 NA HEC A 80 0.692 2.878 1.024 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.035 3.356 2.273 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.861 2.333 3.277 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.308 1.266 2.652 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.222 1.597 1.245 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.145 -0.027 3.269 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.153 2.506 4.744 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.037 3.084 5.526 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.356 3.920 6.739 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.457 4.054 7.648 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.465 4.440 6.756 1.00 17.21 O HETATM 1159 NB HEC A 80 0.233 2.223 -1.654 1.00 4.54 N HETATM 1160 C1B HEC A 80 -0.196 1.023 -1.111 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.420 0.052 -2.162 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.127 0.596 -3.283 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.317 2.003 -3.003 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.987 -1.329 -1.961 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.549 -0.063 -4.577 1.00 6.35 C HETATM 1166 CBB HEC A 80 0.032 -1.468 -4.907 1.00 6.48 C HETATM 1167 NC HEC A 80 0.780 4.894 -2.422 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.736 4.339 -3.686 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.914 5.364 -4.681 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.113 6.537 -4.013 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.963 6.254 -2.594 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.941 5.095 -6.165 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.497 7.877 -4.591 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.348 8.584 -5.320 1.00 10.94 C HETATM 1175 ND HEC A 80 1.003 5.591 0.308 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.001 6.874 -0.189 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.874 7.819 0.910 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.865 7.095 2.068 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.134 5.725 1.679 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.657 9.300 0.735 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.499 7.597 3.460 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.801 6.759 4.718 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.248 7.461 5.950 1.00 6.46 C HETATM 1184 O1D HEC A 80 0.927 8.351 6.457 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.852 7.108 6.372 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.489 9.726 0.174 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.272 9.470 0.191 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.597 9.777 1.713 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.759 4.412 -6.396 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.004 4.646 -6.471 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.088 6.032 -6.702 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 -0.341 -1.893 -1.288 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.985 -1.253 -1.528 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -1.046 -1.841 -2.921 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.701 -0.515 3.753 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.920 0.175 4.009 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.545 -0.680 2.493 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.356 5.769 4.622 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.877 6.616 4.822 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.003 7.961 -6.145 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.474 8.754 -4.625 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.698 9.540 -5.709 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 0.352 -2.165 -4.132 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.057 -1.453 -4.954 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.433 -1.786 -5.869 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.634 3.699 4.853 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.673 2.263 5.856 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.995 8.558 3.592 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.574 7.790 3.456 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.428 1.541 5.171 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.014 3.164 4.863 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.046 8.244 -1.820 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.719 2.652 -4.988 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.668 -0.212 0.561 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.895 4.884 3.484 1.00 5.52 H new