USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 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 Set 1.1: A 44 TYR OH : rot 180:sc= 0.28 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 164:sc= 0.791 (180deg=0.43) USER MOD Set 1.3: A 57 MET CE :methyl 169:sc= -0.843 (180deg=-1.69) USER MOD Set 2.1: A 41 MET CE :methyl -148:sc= -0.576 (180deg=-1.62) USER MOD Set 2.2: A 76 MET CE :methyl -169:sc= -1.04 (180deg=-1.09) USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 14 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.12) USER MOD Single : A 7 TYR OH : rot -154:sc= 1.33 USER MOD Single : A 8 LYS NZ :NH3+ -121:sc= -0.109 (180deg=-0.163) USER MOD Single : A 9 SER OG : rot -48:sc= 1.05 USER MOD Single : A 13 CYS SG : rot 180:sc= -4.01! USER MOD Single : A 19 SER OG : rot 67:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= -0.859 (180deg=-1.02) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.1) USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 1.18 (180deg=0.219) USER MOD Single : A 32 GLN : amide:sc= 1.18 K(o=1.2,f=-0.082) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0289) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0806) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.319 (180deg=0.285) USER MOD Single : A 48 SER OG : rot -93:sc= 1.06 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= 0.178! X(o=0.18!,f=-0.075) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0.872 (180deg=0.0762) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 0.162 (180deg=0.00622) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -38:sc= 0.744 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.533 (180deg=0.501) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.043 -10.013 -4.518 1.00 0.00 N ATOM 26 CA GLY A 3 1.279 -8.620 -4.151 1.00 0.00 C ATOM 27 C GLY A 3 2.538 -8.001 -4.773 1.00 0.00 C ATOM 28 O GLY A 3 2.517 -6.837 -5.167 1.00 0.00 O ATOM 0 HA2 GLY A 3 0.414 -8.028 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.354 -8.551 -3.066 1.00 0.00 H new ATOM 32 N ALA A 4 3.643 -8.748 -4.871 1.00 0.00 N ATOM 33 CA ALA A 4 4.865 -8.243 -5.493 1.00 0.00 C ATOM 34 C ALA A 4 4.579 -7.658 -6.884 1.00 0.00 C ATOM 35 O ALA A 4 5.122 -6.616 -7.250 1.00 0.00 O ATOM 36 CB ALA A 4 5.905 -9.363 -5.579 1.00 0.00 C ATOM 0 H ALA A 4 3.713 -9.705 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 4 5.261 -7.438 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.814 -8.981 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.134 -9.724 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.508 -10.183 -6.178 1.00 0.00 H new ATOM 42 N ALA A 5 3.717 -8.325 -7.659 1.00 0.00 N ATOM 43 CA ALA A 5 3.318 -7.892 -8.990 1.00 0.00 C ATOM 44 C ALA A 5 2.676 -6.505 -8.950 1.00 0.00 C ATOM 45 O ALA A 5 2.929 -5.685 -9.826 1.00 0.00 O ATOM 46 CB ALA A 5 2.368 -8.921 -9.609 1.00 0.00 C ATOM 0 H ALA A 5 3.273 -9.196 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 5 4.209 -7.819 -9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.073 -8.591 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.872 -9.885 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.482 -9.021 -8.983 1.00 0.00 H new ATOM 52 N LEU A 6 1.836 -6.234 -7.948 1.00 0.00 N ATOM 53 CA LEU A 6 1.197 -4.966 -7.760 1.00 0.00 C ATOM 54 C LEU A 6 2.276 -3.942 -7.401 1.00 0.00 C ATOM 55 O LEU A 6 2.369 -2.876 -8.014 1.00 0.00 O ATOM 56 CB LEU A 6 0.201 -5.138 -6.620 1.00 0.00 C ATOM 57 CG LEU A 6 -1.064 -5.928 -6.978 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.837 -7.380 -7.421 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.943 -5.928 -5.728 1.00 0.00 C ATOM 0 H LEU A 6 1.587 -6.921 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 6 0.675 -4.621 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.702 -5.640 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.094 -4.151 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.514 -5.440 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.796 -7.845 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.206 -7.395 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.348 -7.933 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.861 -6.480 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.407 -6.403 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.189 -4.901 -5.456 1.00 0.00 H new ATOM 71 N TYR A 7 3.107 -4.293 -6.411 1.00 0.00 N ATOM 72 CA TYR A 7 4.152 -3.426 -5.887 1.00 0.00 C ATOM 73 C TYR A 7 4.974 -2.767 -6.982 1.00 0.00 C ATOM 74 O TYR A 7 5.245 -1.574 -6.915 1.00 0.00 O ATOM 75 CB TYR A 7 5.089 -4.177 -4.942 1.00 0.00 C ATOM 76 CG TYR A 7 5.904 -3.222 -4.089 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.249 -2.417 -3.139 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.249 -2.954 -4.410 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.941 -1.379 -2.491 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.955 -1.952 -3.722 1.00 0.00 C ATOM 81 CZ TYR A 7 7.301 -1.166 -2.758 1.00 0.00 C ATOM 82 OH TYR A 7 7.970 -0.192 -2.082 1.00 0.00 O ATOM 0 H TYR A 7 3.066 -5.202 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 7 3.630 -2.645 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.506 -4.835 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.760 -4.811 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.210 -2.597 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.740 -3.520 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.424 -0.744 -1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.001 -1.786 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 7 8.728 0.118 -2.620 1.00 0.00 H new ATOM 92 N LYS A 8 5.373 -3.541 -7.989 1.00 0.00 N ATOM 93 CA LYS A 8 6.141 -3.078 -9.115 1.00 0.00 C ATOM 94 C LYS A 8 5.638 -1.740 -9.685 1.00 0.00 C ATOM 95 O LYS A 8 6.453 -0.919 -10.094 1.00 0.00 O ATOM 96 CB LYS A 8 6.119 -4.211 -10.132 1.00 0.00 C ATOM 97 CG LYS A 8 7.060 -5.353 -9.727 1.00 0.00 C ATOM 98 CD LYS A 8 6.954 -6.511 -10.727 1.00 0.00 C ATOM 99 CE LYS A 8 7.741 -7.738 -10.249 1.00 0.00 C ATOM 100 NZ LYS A 8 7.135 -8.353 -9.053 1.00 0.00 N ATOM 0 H LYS A 8 5.158 -4.537 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 8 7.164 -2.849 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.103 -4.593 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.411 -3.828 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.087 -4.990 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.808 -5.704 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.907 -6.780 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.331 -6.191 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.787 -8.474 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.767 -7.446 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.826 -8.355 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.296 -7.807 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.855 -9.331 -9.270 1.00 0.00 H new ATOM 114 N SER A 9 4.321 -1.499 -9.707 1.00 0.00 N ATOM 115 CA SER A 9 3.788 -0.213 -10.158 1.00 0.00 C ATOM 116 C SER A 9 3.921 0.832 -9.041 1.00 0.00 C ATOM 117 O SER A 9 4.377 1.956 -9.252 1.00 0.00 O ATOM 118 CB SER A 9 2.329 -0.372 -10.609 1.00 0.00 C ATOM 119 OG SER A 9 1.482 -0.821 -9.567 1.00 0.00 O ATOM 0 H SER A 9 3.612 -2.174 -9.420 1.00 0.00 H new ATOM 0 HA SER A 9 4.365 0.135 -11.015 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.962 0.584 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.284 -1.078 -11.438 1.00 0.00 H new ATOM 0 HG SER A 9 1.893 -1.590 -9.119 1.00 0.00 H new ATOM 125 N CYS A 10 3.535 0.417 -7.834 1.00 0.00 N ATOM 126 CA CYS A 10 3.513 1.149 -6.584 1.00 0.00 C ATOM 127 C CYS A 10 4.857 1.807 -6.306 1.00 0.00 C ATOM 128 O CYS A 10 4.920 2.895 -5.726 1.00 0.00 O ATOM 129 CB CYS A 10 3.185 0.122 -5.513 1.00 0.00 C ATOM 130 SG CYS A 10 2.306 0.713 -4.114 1.00 0.00 S ATOM 0 H CYS A 10 3.198 -0.537 -7.704 1.00 0.00 H new ATOM 0 HA CYS A 10 2.779 1.954 -6.610 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.602 -0.676 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.118 -0.323 -5.168 1.00 0.00 H new ATOM 0 HG CYS A 10 2.095 -0.268 -3.288 1.00 0.00 H new ATOM 135 N ILE A 11 5.934 1.140 -6.748 1.00 0.00 N ATOM 136 CA ILE A 11 7.300 1.631 -6.662 1.00 0.00 C ATOM 137 C ILE A 11 7.356 3.104 -7.071 1.00 0.00 C ATOM 138 O ILE A 11 8.093 3.874 -6.461 1.00 0.00 O ATOM 139 CB ILE A 11 8.265 0.786 -7.525 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.524 -0.575 -6.856 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.614 1.492 -7.753 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.376 -1.527 -7.701 1.00 0.00 C ATOM 0 H ILE A 11 5.867 0.221 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 11 7.626 1.539 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 11 7.783 0.648 -8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.020 -0.411 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.568 -1.052 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.257 0.859 -8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.447 2.440 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.095 1.677 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.515 -2.465 -7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.872 -1.723 -8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.347 -1.072 -7.894 1.00 0.00 H new ATOM 154 N GLY A 12 6.569 3.495 -8.082 1.00 0.00 N ATOM 155 CA GLY A 12 6.493 4.864 -8.566 1.00 0.00 C ATOM 156 C GLY A 12 6.388 5.900 -7.443 1.00 0.00 C ATOM 157 O GLY A 12 6.921 6.997 -7.586 1.00 0.00 O ATOM 0 H GLY A 12 5.961 2.852 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.376 5.079 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.629 4.962 -9.223 1.00 0.00 H new ATOM 161 N CYS A 13 5.701 5.568 -6.340 1.00 0.00 N ATOM 162 CA CYS A 13 5.530 6.470 -5.203 1.00 0.00 C ATOM 163 C CYS A 13 6.195 5.927 -3.938 1.00 0.00 C ATOM 164 O CYS A 13 6.631 6.707 -3.097 1.00 0.00 O ATOM 165 CB CYS A 13 4.038 6.677 -4.961 1.00 0.00 C ATOM 166 SG CYS A 13 3.592 8.146 -4.010 1.00 0.00 S ATOM 0 H CYS A 13 5.249 4.662 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 13 6.013 7.418 -5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.536 6.727 -5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.648 5.800 -4.444 1.00 0.00 H new ATOM 0 HG CYS A 13 2.300 8.203 -3.879 1.00 0.00 H new ATOM 171 N HIS A 14 6.261 4.597 -3.792 1.00 0.00 N ATOM 172 CA HIS A 14 6.774 3.920 -2.609 1.00 0.00 C ATOM 173 C HIS A 14 8.248 3.523 -2.653 1.00 0.00 C ATOM 174 O HIS A 14 8.825 3.158 -1.628 1.00 0.00 O ATOM 175 CB HIS A 14 5.896 2.706 -2.373 1.00 0.00 C ATOM 176 CG HIS A 14 4.645 3.090 -1.631 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.657 3.484 -0.305 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.372 3.352 -2.063 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.404 3.836 0.019 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.551 3.728 -0.996 1.00 0.00 N ATOM 0 H HIS A 14 5.949 3.951 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 14 6.733 4.634 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.633 2.250 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.447 1.958 -1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.046 3.278 -3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.117 4.173 1.004 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.543 3.882 -0.996 1.00 0.00 H new ATOM 188 N GLY A 15 8.865 3.594 -3.820 1.00 0.00 N ATOM 189 CA GLY A 15 10.278 3.300 -3.968 1.00 0.00 C ATOM 190 C GLY A 15 10.556 1.809 -3.804 1.00 0.00 C ATOM 191 O GLY A 15 9.639 0.989 -3.809 1.00 0.00 O ATOM 0 H GLY A 15 8.401 3.857 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.619 3.630 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.848 3.862 -3.228 1.00 0.00 H new ATOM 195 N ALA A 16 11.834 1.448 -3.670 1.00 0.00 N ATOM 196 CA ALA A 16 12.233 0.060 -3.507 1.00 0.00 C ATOM 197 C ALA A 16 11.953 -0.399 -2.073 1.00 0.00 C ATOM 198 O ALA A 16 10.883 -0.930 -1.788 1.00 0.00 O ATOM 199 CB ALA A 16 13.702 -0.110 -3.914 1.00 0.00 C ATOM 0 H ALA A 16 12.611 2.108 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 16 11.645 -0.580 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.996 -1.152 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.826 0.180 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.329 0.521 -3.285 1.00 0.00 H new ATOM 205 N ASP A 17 12.889 -0.148 -1.156 1.00 0.00 N ATOM 206 CA ASP A 17 12.851 -0.555 0.244 1.00 0.00 C ATOM 207 C ASP A 17 12.001 0.399 1.077 1.00 0.00 C ATOM 208 O ASP A 17 12.481 0.983 2.043 1.00 0.00 O ATOM 209 CB ASP A 17 14.282 -0.678 0.790 1.00 0.00 C ATOM 210 CG ASP A 17 15.045 0.647 0.822 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.972 1.373 -0.196 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.700 0.906 1.855 1.00 0.00 O ATOM 0 H ASP A 17 13.736 0.372 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 17 12.376 -1.534 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.242 -1.088 1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.835 -1.390 0.178 1.00 0.00 H new ATOM 217 N GLY A 18 10.770 0.623 0.613 1.00 0.00 N ATOM 218 CA GLY A 18 9.678 1.397 1.212 1.00 0.00 C ATOM 219 C GLY A 18 9.987 2.754 1.871 1.00 0.00 C ATOM 220 O GLY A 18 9.070 3.373 2.420 1.00 0.00 O ATOM 0 H GLY A 18 10.483 0.227 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.936 1.573 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.206 0.767 1.966 1.00 0.00 H new ATOM 224 N SER A 19 11.227 3.249 1.809 1.00 0.00 N ATOM 225 CA SER A 19 11.712 4.468 2.447 1.00 0.00 C ATOM 226 C SER A 19 11.415 5.689 1.578 1.00 0.00 C ATOM 227 O SER A 19 12.292 6.502 1.297 1.00 0.00 O ATOM 228 CB SER A 19 13.214 4.313 2.713 1.00 0.00 C ATOM 229 OG SER A 19 13.446 3.164 3.508 1.00 0.00 O ATOM 0 H SER A 19 11.960 2.778 1.279 1.00 0.00 H new ATOM 0 HA SER A 19 11.197 4.624 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.753 4.228 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.596 5.200 3.219 1.00 0.00 H new ATOM 0 HG SER A 19 13.226 2.360 2.993 1.00 0.00 H new ATOM 235 N LYS A 20 10.166 5.790 1.136 1.00 0.00 N ATOM 236 CA LYS A 20 9.695 6.820 0.232 1.00 0.00 C ATOM 237 C LYS A 20 9.381 8.177 0.861 1.00 0.00 C ATOM 238 O LYS A 20 9.247 8.329 2.073 1.00 0.00 O ATOM 239 CB LYS A 20 8.406 6.305 -0.404 1.00 0.00 C ATOM 240 CG LYS A 20 7.364 5.899 0.657 1.00 0.00 C ATOM 241 CD LYS A 20 6.003 6.533 0.354 1.00 0.00 C ATOM 242 CE LYS A 20 5.042 6.411 1.540 1.00 0.00 C ATOM 243 NZ LYS A 20 5.398 7.351 2.614 1.00 0.00 N ATOM 0 H LYS A 20 9.434 5.134 1.409 1.00 0.00 H new ATOM 0 HA LYS A 20 10.512 7.001 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.986 7.077 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.631 5.448 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.267 4.814 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.704 6.211 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.140 7.585 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.564 6.052 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.023 6.605 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.063 5.391 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.710 7.269 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.349 7.127 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.387 8.322 2.243 1.00 0.00 H new ATOM 257 N ALA A 21 9.175 9.127 -0.051 1.00 0.00 N ATOM 258 CA ALA A 21 8.655 10.465 0.134 1.00 0.00 C ATOM 259 C ALA A 21 7.650 10.574 -1.015 1.00 0.00 C ATOM 260 O ALA A 21 8.005 10.981 -2.118 1.00 0.00 O ATOM 261 CB ALA A 21 9.785 11.494 0.040 1.00 0.00 C ATOM 0 H ALA A 21 9.393 8.952 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 21 8.199 10.652 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.378 12.495 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.527 11.292 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.256 11.429 -0.941 1.00 0.00 H new ATOM 267 N ALA A 22 6.437 10.070 -0.774 1.00 0.00 N ATOM 268 CA ALA A 22 5.355 9.988 -1.750 1.00 0.00 C ATOM 269 C ALA A 22 4.869 11.381 -2.170 1.00 0.00 C ATOM 270 O ALA A 22 5.471 12.376 -1.765 1.00 0.00 O ATOM 271 CB ALA A 22 4.230 9.142 -1.133 1.00 0.00 C ATOM 0 H ALA A 22 6.175 9.696 0.138 1.00 0.00 H new ATOM 0 HA ALA A 22 5.708 9.513 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.405 9.062 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.608 8.146 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.878 9.617 -0.217 1.00 0.00 H new ATOM 277 N MET A 23 3.806 11.485 -2.992 1.00 0.00 N ATOM 278 CA MET A 23 3.281 12.809 -3.331 1.00 0.00 C ATOM 279 C MET A 23 2.728 13.486 -2.061 1.00 0.00 C ATOM 280 O MET A 23 1.543 13.376 -1.746 1.00 0.00 O ATOM 281 CB MET A 23 2.234 12.719 -4.449 1.00 0.00 C ATOM 282 CG MET A 23 2.793 12.023 -5.697 1.00 0.00 C ATOM 283 SD MET A 23 1.619 11.886 -7.069 1.00 0.00 S ATOM 284 CE MET A 23 2.652 11.011 -8.264 1.00 0.00 C ATOM 0 H MET A 23 3.315 10.698 -3.416 1.00 0.00 H new ATOM 0 HA MET A 23 4.089 13.429 -3.718 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.362 12.173 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.896 13.721 -4.712 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.671 12.570 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.128 11.023 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.085 10.840 -9.179 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.534 11.610 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.962 10.054 -7.845 1.00 0.00 H new ATOM 294 N GLY A 24 3.612 14.175 -1.334 1.00 0.00 N ATOM 295 CA GLY A 24 3.368 14.810 -0.050 1.00 0.00 C ATOM 296 C GLY A 24 3.918 13.899 1.051 1.00 0.00 C ATOM 297 O GLY A 24 3.847 12.676 0.931 1.00 0.00 O ATOM 0 H GLY A 24 4.572 14.308 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.852 15.786 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.301 14.977 0.094 1.00 0.00 H new ATOM 301 N SER A 25 4.460 14.480 2.128 1.00 0.00 N ATOM 302 CA SER A 25 5.033 13.723 3.241 1.00 0.00 C ATOM 303 C SER A 25 4.053 12.653 3.738 1.00 0.00 C ATOM 304 O SER A 25 2.853 12.911 3.831 1.00 0.00 O ATOM 305 CB SER A 25 5.432 14.679 4.373 1.00 0.00 C ATOM 306 OG SER A 25 6.199 14.005 5.352 1.00 0.00 O ATOM 0 H SER A 25 4.512 15.491 2.250 1.00 0.00 H new ATOM 0 HA SER A 25 5.928 13.209 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.004 15.513 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.537 15.100 4.832 1.00 0.00 H new ATOM 0 HG SER A 25 6.445 14.632 6.064 1.00 0.00 H new ATOM 312 N ALA A 26 4.558 11.459 4.063 1.00 0.00 N ATOM 313 CA ALA A 26 3.740 10.332 4.484 1.00 0.00 C ATOM 314 C ALA A 26 4.605 9.304 5.209 1.00 0.00 C ATOM 315 O ALA A 26 5.820 9.289 5.015 1.00 0.00 O ATOM 316 CB ALA A 26 3.114 9.717 3.233 1.00 0.00 C ATOM 0 H ALA A 26 5.556 11.252 4.039 1.00 0.00 H new ATOM 0 HA ALA A 26 2.959 10.659 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.493 8.867 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.499 10.463 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.902 9.381 2.559 1.00 0.00 H new ATOM 322 N LYS A 27 3.988 8.446 6.029 1.00 0.00 N ATOM 323 CA LYS A 27 4.622 7.379 6.756 1.00 0.00 C ATOM 324 C LYS A 27 5.301 6.427 5.772 1.00 0.00 C ATOM 325 O LYS A 27 4.607 5.849 4.934 1.00 0.00 O ATOM 326 CB LYS A 27 3.490 6.632 7.459 1.00 0.00 C ATOM 327 CG LYS A 27 2.911 7.372 8.665 1.00 0.00 C ATOM 328 CD LYS A 27 1.669 6.624 9.169 1.00 0.00 C ATOM 329 CE LYS A 27 0.783 7.492 10.067 1.00 0.00 C ATOM 330 NZ LYS A 27 0.083 8.528 9.285 1.00 0.00 N ATOM 0 H LYS A 27 2.984 8.493 6.201 1.00 0.00 H new ATOM 0 HA LYS A 27 5.370 7.754 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.691 6.446 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.858 5.659 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.656 7.439 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.648 8.393 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.086 6.278 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.982 5.738 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.054 6.864 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.393 7.964 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.667 8.954 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.760 9.264 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.338 8.098 8.437 1.00 0.00 H new ATOM 344 N PRO A 28 6.630 6.259 5.817 1.00 0.00 N ATOM 345 CA PRO A 28 7.298 5.313 4.945 1.00 0.00 C ATOM 346 C PRO A 28 6.763 3.905 5.185 1.00 0.00 C ATOM 347 O PRO A 28 6.395 3.556 6.306 1.00 0.00 O ATOM 348 CB PRO A 28 8.789 5.428 5.264 1.00 0.00 C ATOM 349 CG PRO A 28 8.921 6.827 5.865 1.00 0.00 C ATOM 350 CD PRO A 28 7.596 7.004 6.605 1.00 0.00 C ATOM 0 HA PRO A 28 7.120 5.526 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.109 4.658 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.400 5.317 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.774 6.898 6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.059 7.586 5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.657 6.620 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.321 8.056 6.677 1.00 0.00 H new ATOM 358 N VAL A 29 6.714 3.095 4.129 1.00 0.00 N ATOM 359 CA VAL A 29 6.184 1.740 4.211 1.00 0.00 C ATOM 360 C VAL A 29 7.204 0.806 4.859 1.00 0.00 C ATOM 361 O VAL A 29 6.799 -0.141 5.530 1.00 0.00 O ATOM 362 CB VAL A 29 5.748 1.292 2.807 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.662 -0.226 2.651 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.360 1.878 2.521 1.00 0.00 C ATOM 0 H VAL A 29 7.039 3.359 3.199 1.00 0.00 H new ATOM 0 HA VAL A 29 5.304 1.708 4.853 1.00 0.00 H new ATOM 0 HB VAL A 29 6.505 1.649 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.349 -0.470 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.639 -0.668 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.936 -0.624 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.033 1.571 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.651 1.514 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.408 2.966 2.567 1.00 0.00 H new ATOM 374 N LYS A 30 8.497 1.080 4.638 1.00 0.00 N ATOM 375 CA LYS A 30 9.648 0.353 5.169 1.00 0.00 C ATOM 376 C LYS A 30 9.309 -0.421 6.452 1.00 0.00 C ATOM 377 O LYS A 30 9.291 0.139 7.546 1.00 0.00 O ATOM 378 CB LYS A 30 10.811 1.333 5.388 1.00 0.00 C ATOM 379 CG LYS A 30 12.188 0.662 5.302 1.00 0.00 C ATOM 380 CD LYS A 30 12.415 -0.487 6.293 1.00 0.00 C ATOM 381 CE LYS A 30 13.865 -0.984 6.232 1.00 0.00 C ATOM 382 NZ LYS A 30 14.264 -1.327 4.853 1.00 0.00 N ATOM 0 H LYS A 30 8.779 1.863 4.048 1.00 0.00 H new ATOM 0 HA LYS A 30 9.947 -0.398 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.754 2.128 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.703 1.803 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.327 0.281 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.955 1.419 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.184 -0.152 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.735 -1.308 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.531 -0.215 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.978 -1.859 6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.988 -2.074 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.434 -1.666 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.652 -0.484 4.384 1.00 0.00 H new ATOM 396 N GLY A 31 9.017 -1.710 6.286 1.00 0.00 N ATOM 397 CA GLY A 31 8.678 -2.663 7.319 1.00 0.00 C ATOM 398 C GLY A 31 7.762 -2.134 8.424 1.00 0.00 C ATOM 399 O GLY A 31 8.068 -2.376 9.589 1.00 0.00 O ATOM 0 H GLY A 31 9.013 -2.136 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.198 -3.523 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.600 -3.022 7.776 1.00 0.00 H new ATOM 403 N GLN A 32 6.647 -1.452 8.101 1.00 0.00 N ATOM 404 CA GLN A 32 5.736 -0.991 9.172 1.00 0.00 C ATOM 405 C GLN A 32 5.347 -2.172 10.063 1.00 0.00 C ATOM 406 O GLN A 32 5.529 -2.184 11.278 1.00 0.00 O ATOM 407 CB GLN A 32 4.454 -0.281 8.691 1.00 0.00 C ATOM 408 CG GLN A 32 4.653 0.619 7.479 1.00 0.00 C ATOM 409 CD GLN A 32 3.488 1.587 7.260 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.335 1.196 7.413 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.761 2.835 6.880 1.00 0.00 N ATOM 0 H GLN A 32 6.361 -1.214 7.151 1.00 0.00 H new ATOM 0 HA GLN A 32 6.303 -0.238 9.719 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.704 -1.034 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.054 0.316 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.574 1.189 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.778 0.001 6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.730 3.132 6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.001 3.494 6.708 1.00 0.00 H new ATOM 420 N GLY A 33 4.787 -3.159 9.382 1.00 0.00 N ATOM 421 CA GLY A 33 4.378 -4.452 9.908 1.00 0.00 C ATOM 422 C GLY A 33 3.360 -5.090 8.970 1.00 0.00 C ATOM 423 O GLY A 33 2.579 -4.376 8.351 1.00 0.00 O ATOM 0 H GLY A 33 4.594 -3.073 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.246 -5.103 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.946 -4.331 10.901 1.00 0.00 H new ATOM 427 N ALA A 34 3.344 -6.419 8.845 1.00 0.00 N ATOM 428 CA ALA A 34 2.401 -7.095 7.963 1.00 0.00 C ATOM 429 C ALA A 34 0.962 -6.830 8.398 1.00 0.00 C ATOM 430 O ALA A 34 0.128 -6.493 7.566 1.00 0.00 O ATOM 431 CB ALA A 34 2.705 -8.592 7.878 1.00 0.00 C ATOM 0 H ALA A 34 3.975 -7.045 9.345 1.00 0.00 H new ATOM 0 HA ALA A 34 2.518 -6.685 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.987 -9.072 7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.713 -8.737 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.633 -9.035 8.871 1.00 0.00 H new ATOM 437 N GLU A 35 0.661 -6.956 9.693 1.00 0.00 N ATOM 438 CA GLU A 35 -0.689 -6.705 10.184 1.00 0.00 C ATOM 439 C GLU A 35 -1.057 -5.242 9.930 1.00 0.00 C ATOM 440 O GLU A 35 -2.110 -4.955 9.364 1.00 0.00 O ATOM 441 CB GLU A 35 -0.803 -7.085 11.667 1.00 0.00 C ATOM 442 CG GLU A 35 -2.264 -6.980 12.131 1.00 0.00 C ATOM 443 CD GLU A 35 -2.479 -7.467 13.562 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.478 -7.536 14.307 1.00 0.00 O ATOM 445 OE2 GLU A 35 -3.652 -7.757 13.880 1.00 0.00 O ATOM 0 H GLU A 35 1.331 -7.228 10.413 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.401 -7.330 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.438 -8.101 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.175 -6.427 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.588 -5.942 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.894 -7.561 11.458 1.00 0.00 H new ATOM 452 N GLU A 36 -0.168 -4.334 10.347 1.00 0.00 N ATOM 453 CA GLU A 36 -0.299 -2.898 10.163 1.00 0.00 C ATOM 454 C GLU A 36 -0.681 -2.605 8.715 1.00 0.00 C ATOM 455 O GLU A 36 -1.708 -1.993 8.426 1.00 0.00 O ATOM 456 CB GLU A 36 1.054 -2.242 10.494 1.00 0.00 C ATOM 457 CG GLU A 36 1.401 -2.302 11.984 1.00 0.00 C ATOM 458 CD GLU A 36 0.446 -1.463 12.827 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.494 -0.224 12.671 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.321 -2.077 13.599 1.00 0.00 O ATOM 0 H GLU A 36 0.688 -4.594 10.837 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.074 -2.499 10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.840 -2.737 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.034 -1.200 10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.369 -3.338 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.422 -1.949 12.133 1.00 0.00 H new ATOM 467 N LEU A 37 0.167 -3.073 7.804 1.00 0.00 N ATOM 468 CA LEU A 37 -0.025 -2.868 6.386 1.00 0.00 C ATOM 469 C LEU A 37 -1.348 -3.483 5.931 1.00 0.00 C ATOM 470 O LEU A 37 -2.147 -2.771 5.341 1.00 0.00 O ATOM 471 CB LEU A 37 1.200 -3.373 5.617 1.00 0.00 C ATOM 472 CG LEU A 37 2.420 -2.452 5.829 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.695 -3.154 5.362 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.247 -1.133 5.070 1.00 0.00 C ATOM 0 H LEU A 37 1.006 -3.605 8.036 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.106 -1.804 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.445 -4.384 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.966 -3.429 4.554 1.00 0.00 H new ATOM 0 HG LEU A 37 2.499 -2.231 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.550 -2.496 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.836 -4.071 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.610 -3.396 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.120 -0.501 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.143 -1.337 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.355 -0.621 5.430 1.00 0.00 H new ATOM 486 N TYR A 38 -1.607 -4.766 6.211 1.00 0.00 N ATOM 487 CA TYR A 38 -2.847 -5.455 5.847 1.00 0.00 C ATOM 488 C TYR A 38 -4.065 -4.596 6.151 1.00 0.00 C ATOM 489 O TYR A 38 -4.881 -4.282 5.281 1.00 0.00 O ATOM 490 CB TYR A 38 -2.984 -6.774 6.609 1.00 0.00 C ATOM 491 CG TYR A 38 -4.169 -7.608 6.150 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.353 -7.879 4.779 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.191 -7.936 7.062 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.566 -8.419 4.321 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.383 -8.527 6.608 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.575 -8.757 5.235 1.00 0.00 C ATOM 497 OH TYR A 38 -7.731 -9.320 4.784 1.00 0.00 O ATOM 0 H TYR A 38 -0.946 -5.364 6.707 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.798 -5.651 4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.070 -7.354 6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.087 -6.563 7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.558 -7.671 4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.058 -7.733 8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.722 -8.574 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.151 -8.804 7.315 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.327 -9.495 5.542 1.00 0.00 H new ATOM 507 N LYS A 39 -4.153 -4.246 7.429 1.00 0.00 N ATOM 508 CA LYS A 39 -5.214 -3.400 7.952 1.00 0.00 C ATOM 509 C LYS A 39 -5.348 -2.125 7.116 1.00 0.00 C ATOM 510 O LYS A 39 -6.455 -1.764 6.727 1.00 0.00 O ATOM 511 CB LYS A 39 -4.960 -3.070 9.428 1.00 0.00 C ATOM 512 CG LYS A 39 -5.106 -4.278 10.366 1.00 0.00 C ATOM 513 CD LYS A 39 -6.560 -4.757 10.498 1.00 0.00 C ATOM 514 CE LYS A 39 -6.714 -5.756 11.652 1.00 0.00 C ATOM 515 NZ LYS A 39 -5.879 -6.956 11.464 1.00 0.00 N ATOM 0 H LYS A 39 -3.482 -4.546 8.137 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.156 -3.944 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.955 -2.660 9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.656 -2.292 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.491 -5.097 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.724 -4.015 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.214 -3.901 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.878 -5.223 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.443 -5.270 12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.759 -6.052 11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.313 -7.762 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.804 -7.171 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.930 -6.783 11.852 1.00 0.00 H new ATOM 529 N LYS A 40 -4.243 -1.436 6.828 1.00 0.00 N ATOM 530 CA LYS A 40 -4.247 -0.238 6.024 1.00 0.00 C ATOM 531 C LYS A 40 -4.671 -0.526 4.573 1.00 0.00 C ATOM 532 O LYS A 40 -5.484 0.240 4.062 1.00 0.00 O ATOM 533 CB LYS A 40 -2.858 0.382 6.137 1.00 0.00 C ATOM 534 CG LYS A 40 -2.526 0.901 7.547 1.00 0.00 C ATOM 535 CD LYS A 40 -3.217 2.232 7.871 1.00 0.00 C ATOM 536 CE LYS A 40 -2.901 2.698 9.298 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.471 3.005 9.477 1.00 0.00 N ATOM 0 H LYS A 40 -3.316 -1.707 7.155 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.989 0.473 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.114 -0.360 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.779 1.206 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.824 0.154 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.447 1.026 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.895 2.993 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.295 2.121 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.493 3.583 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.196 1.923 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.324 3.443 10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.917 2.127 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.161 3.662 8.733 1.00 0.00 H new ATOM 551 N MET A 41 -4.181 -1.576 3.883 1.00 0.00 N ATOM 552 CA MET A 41 -4.649 -1.888 2.543 1.00 0.00 C ATOM 553 C MET A 41 -6.170 -2.019 2.560 1.00 0.00 C ATOM 554 O MET A 41 -6.852 -1.433 1.721 1.00 0.00 O ATOM 555 CB MET A 41 -4.043 -3.173 1.945 1.00 0.00 C ATOM 556 CG MET A 41 -2.786 -3.837 2.513 1.00 0.00 C ATOM 557 SD MET A 41 -1.217 -2.971 2.397 1.00 0.00 S ATOM 558 CE MET A 41 -1.271 -2.607 0.641 1.00 0.00 C ATOM 0 H MET A 41 -3.467 -2.210 4.240 1.00 0.00 H new ATOM 0 HA MET A 41 -4.321 -1.066 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.830 -3.927 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.835 -2.960 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.971 -4.044 3.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.668 -4.799 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.258 -2.604 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.862 -3.367 0.130 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.726 -1.629 0.486 1.00 0.00 H new ATOM 568 N LYS A 42 -6.692 -2.791 3.523 1.00 0.00 N ATOM 569 CA LYS A 42 -8.127 -2.965 3.672 1.00 0.00 C ATOM 570 C LYS A 42 -8.775 -1.593 3.889 1.00 0.00 C ATOM 571 O LYS A 42 -9.746 -1.254 3.218 1.00 0.00 O ATOM 572 CB LYS A 42 -8.416 -3.929 4.831 1.00 0.00 C ATOM 573 CG LYS A 42 -9.878 -4.396 4.809 1.00 0.00 C ATOM 574 CD LYS A 42 -10.247 -5.198 6.066 1.00 0.00 C ATOM 575 CE LYS A 42 -10.394 -4.327 7.323 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.504 -3.363 7.205 1.00 0.00 N ATOM 0 H LYS A 42 -6.134 -3.302 4.207 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.554 -3.404 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.754 -4.792 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.202 -3.437 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.534 -3.529 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.049 -5.010 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.183 -5.728 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.482 -5.954 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.561 -4.967 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.464 -3.788 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.620 -2.856 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.293 -2.681 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.383 -3.871 6.978 1.00 0.00 H new ATOM 590 N GLY A 43 -8.212 -0.809 4.812 1.00 0.00 N ATOM 591 CA GLY A 43 -8.649 0.530 5.166 1.00 0.00 C ATOM 592 C GLY A 43 -8.825 1.404 3.929 1.00 0.00 C ATOM 593 O GLY A 43 -9.844 2.078 3.775 1.00 0.00 O ATOM 0 H GLY A 43 -7.402 -1.111 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.591 0.474 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.920 0.987 5.835 1.00 0.00 H new ATOM 597 N TYR A 44 -7.807 1.417 3.067 1.00 0.00 N ATOM 598 CA TYR A 44 -7.833 2.155 1.818 1.00 0.00 C ATOM 599 C TYR A 44 -8.925 1.556 0.929 1.00 0.00 C ATOM 600 O TYR A 44 -9.900 2.231 0.616 1.00 0.00 O ATOM 601 CB TYR A 44 -6.459 2.098 1.127 1.00 0.00 C ATOM 602 CG TYR A 44 -5.385 3.021 1.679 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.538 4.415 1.557 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.162 2.502 2.151 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.518 5.282 1.987 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.132 3.374 2.549 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.310 4.762 2.467 1.00 0.00 C ATOM 608 OH TYR A 44 -2.317 5.606 2.864 1.00 0.00 O ATOM 0 H TYR A 44 -6.937 0.909 3.224 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.054 3.205 2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.091 1.074 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.598 2.329 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.444 4.821 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.016 1.433 2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.667 6.351 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.200 2.972 2.919 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.547 5.084 3.171 1.00 0.00 H new ATOM 618 N ALA A 45 -8.783 0.279 0.557 1.00 0.00 N ATOM 619 CA ALA A 45 -9.683 -0.432 -0.346 1.00 0.00 C ATOM 620 C ALA A 45 -11.168 -0.237 -0.022 1.00 0.00 C ATOM 621 O ALA A 45 -11.961 0.053 -0.916 1.00 0.00 O ATOM 622 CB ALA A 45 -9.326 -1.922 -0.358 1.00 0.00 C ATOM 0 H ALA A 45 -8.013 -0.303 0.889 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.539 -0.001 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.999 -2.452 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.298 -2.047 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.427 -2.328 0.648 1.00 0.00 H new ATOM 628 N ASP A 46 -11.556 -0.404 1.246 1.00 0.00 N ATOM 629 CA ASP A 46 -12.948 -0.271 1.672 1.00 0.00 C ATOM 630 C ASP A 46 -13.402 1.191 1.814 1.00 0.00 C ATOM 631 O ASP A 46 -14.550 1.437 2.174 1.00 0.00 O ATOM 632 CB ASP A 46 -13.218 -1.107 2.936 1.00 0.00 C ATOM 633 CG ASP A 46 -12.483 -0.638 4.189 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.225 0.578 4.293 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.198 -1.511 5.039 1.00 0.00 O ATOM 0 H ASP A 46 -10.913 -0.635 2.003 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.567 -0.678 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.289 -1.099 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.939 -2.142 2.735 1.00 0.00 H new ATOM 640 N GLY A 47 -12.523 2.158 1.539 1.00 0.00 N ATOM 641 CA GLY A 47 -12.843 3.574 1.570 1.00 0.00 C ATOM 642 C GLY A 47 -13.029 4.121 2.983 1.00 0.00 C ATOM 643 O GLY A 47 -13.951 4.899 3.213 1.00 0.00 O ATOM 0 H GLY A 47 -11.554 1.968 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.047 4.130 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.755 3.746 0.999 1.00 0.00 H new ATOM 647 N SER A 48 -12.154 3.742 3.921 1.00 0.00 N ATOM 648 CA SER A 48 -12.171 4.268 5.283 1.00 0.00 C ATOM 649 C SER A 48 -10.886 5.059 5.524 1.00 0.00 C ATOM 650 O SER A 48 -10.925 6.255 5.805 1.00 0.00 O ATOM 651 CB SER A 48 -12.350 3.138 6.302 1.00 0.00 C ATOM 652 OG SER A 48 -11.307 2.194 6.197 1.00 0.00 O ATOM 0 H SER A 48 -11.414 3.060 3.753 1.00 0.00 H new ATOM 0 HA SER A 48 -13.021 4.938 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.371 3.552 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.309 2.646 6.140 1.00 0.00 H new ATOM 0 HG SER A 48 -11.580 1.470 5.596 1.00 0.00 H new ATOM 658 N TYR A 49 -9.737 4.395 5.383 1.00 0.00 N ATOM 659 CA TYR A 49 -8.428 5.000 5.573 1.00 0.00 C ATOM 660 C TYR A 49 -8.065 5.859 4.352 1.00 0.00 C ATOM 661 O TYR A 49 -7.036 5.642 3.722 1.00 0.00 O ATOM 662 CB TYR A 49 -7.370 3.910 5.851 1.00 0.00 C ATOM 663 CG TYR A 49 -6.099 4.473 6.444 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.132 5.042 7.728 1.00 0.00 C ATOM 665 CD2 TYR A 49 -4.929 4.559 5.671 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.016 5.735 8.219 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.808 5.243 6.167 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.850 5.836 7.442 1.00 0.00 C ATOM 669 OH TYR A 49 -2.771 6.500 7.944 1.00 0.00 O ATOM 0 H TYR A 49 -9.695 3.408 5.130 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.453 5.657 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.787 3.169 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.135 3.392 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.018 4.946 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.892 4.099 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.053 6.192 9.197 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.912 5.314 5.569 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.042 6.483 7.289 1.00 0.00 H new ATOM 679 N GLY A 50 -8.889 6.847 4.001 1.00 0.00 N ATOM 680 CA GLY A 50 -8.636 7.680 2.836 1.00 0.00 C ATOM 681 C GLY A 50 -9.680 8.778 2.666 1.00 0.00 C ATOM 682 O GLY A 50 -10.568 8.923 3.502 1.00 0.00 O ATOM 0 H GLY A 50 -9.739 7.087 4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.648 8.133 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.621 7.055 1.943 1.00 0.00 H new ATOM 686 N GLY A 51 -9.549 9.570 1.594 1.00 0.00 N ATOM 687 CA GLY A 51 -10.449 10.676 1.298 1.00 0.00 C ATOM 688 C GLY A 51 -9.817 11.674 0.324 1.00 0.00 C ATOM 689 O GLY A 51 -10.394 11.962 -0.720 1.00 0.00 O ATOM 0 H GLY A 51 -8.806 9.454 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.375 10.288 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.713 11.188 2.223 1.00 0.00 H new ATOM 693 N GLU A 52 -8.639 12.207 0.676 1.00 0.00 N ATOM 694 CA GLU A 52 -7.916 13.199 -0.123 1.00 0.00 C ATOM 695 C GLU A 52 -7.073 12.467 -1.186 1.00 0.00 C ATOM 696 O GLU A 52 -7.609 11.609 -1.880 1.00 0.00 O ATOM 697 CB GLU A 52 -7.148 14.128 0.843 1.00 0.00 C ATOM 698 CG GLU A 52 -6.991 15.575 0.342 1.00 0.00 C ATOM 699 CD GLU A 52 -5.974 15.730 -0.781 1.00 0.00 C ATOM 700 OE1 GLU A 52 -4.837 15.255 -0.568 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.353 16.289 -1.831 1.00 0.00 O ATOM 0 H GLU A 52 -8.156 11.955 1.538 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.571 13.855 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.665 14.142 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.158 13.708 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.959 15.937 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.695 16.209 1.178 1.00 0.00 H new ATOM 708 N ARG A 53 -5.762 12.730 -1.303 1.00 0.00 N ATOM 709 CA ARG A 53 -4.860 12.069 -2.242 1.00 0.00 C ATOM 710 C ARG A 53 -5.015 10.549 -2.192 1.00 0.00 C ATOM 711 O ARG A 53 -4.958 9.855 -3.208 1.00 0.00 O ATOM 712 CB ARG A 53 -3.426 12.493 -1.902 1.00 0.00 C ATOM 713 CG ARG A 53 -2.944 12.048 -0.507 1.00 0.00 C ATOM 714 CD ARG A 53 -1.595 12.701 -0.193 1.00 0.00 C ATOM 715 NE ARG A 53 -1.253 12.550 1.229 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.009 12.564 1.727 1.00 0.00 C ATOM 717 NH1 ARG A 53 1.050 12.662 0.919 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.179 12.463 3.046 1.00 0.00 N ATOM 0 H ARG A 53 -5.293 13.429 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.105 12.370 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.751 12.084 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.356 13.579 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.679 12.328 0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.850 10.963 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.817 12.249 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.631 13.759 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.022 12.425 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.917 12.727 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.992 12.672 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.623 12.376 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.124 12.473 3.429 1.00 0.00 H new ATOM 732 N LYS A 54 -5.252 10.063 -0.973 1.00 0.00 N ATOM 733 CA LYS A 54 -5.493 8.682 -0.619 1.00 0.00 C ATOM 734 C LYS A 54 -6.532 8.025 -1.530 1.00 0.00 C ATOM 735 O LYS A 54 -6.517 6.810 -1.688 1.00 0.00 O ATOM 736 CB LYS A 54 -5.925 8.648 0.850 1.00 0.00 C ATOM 737 CG LYS A 54 -4.767 9.087 1.759 1.00 0.00 C ATOM 738 CD LYS A 54 -5.145 8.983 3.244 1.00 0.00 C ATOM 739 CE LYS A 54 -3.943 9.212 4.168 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.210 7.958 4.413 1.00 0.00 N ATOM 0 H LYS A 54 -5.281 10.675 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.580 8.103 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.782 9.305 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.245 7.641 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.893 8.467 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.489 10.114 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.920 9.715 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.569 7.998 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.273 9.946 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.284 9.627 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.271 8.175 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.740 7.373 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.101 7.439 3.518 1.00 0.00 H new ATOM 754 N ALA A 55 -7.437 8.809 -2.115 1.00 0.00 N ATOM 755 CA ALA A 55 -8.436 8.340 -3.066 1.00 0.00 C ATOM 756 C ALA A 55 -7.793 7.631 -4.269 1.00 0.00 C ATOM 757 O ALA A 55 -8.281 6.588 -4.704 1.00 0.00 O ATOM 758 CB ALA A 55 -9.290 9.521 -3.534 1.00 0.00 C ATOM 0 H ALA A 55 -7.495 9.811 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.068 7.608 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.037 9.170 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.789 9.972 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.652 10.263 -4.014 1.00 0.00 H new ATOM 764 N MET A 56 -6.698 8.175 -4.813 1.00 0.00 N ATOM 765 CA MET A 56 -6.023 7.577 -5.964 1.00 0.00 C ATOM 766 C MET A 56 -5.507 6.192 -5.574 1.00 0.00 C ATOM 767 O MET A 56 -5.825 5.179 -6.198 1.00 0.00 O ATOM 768 CB MET A 56 -4.903 8.521 -6.435 1.00 0.00 C ATOM 769 CG MET A 56 -4.089 7.962 -7.611 1.00 0.00 C ATOM 770 SD MET A 56 -2.758 6.809 -7.171 1.00 0.00 S ATOM 771 CE MET A 56 -2.271 6.254 -8.819 1.00 0.00 C ATOM 0 H MET A 56 -6.262 9.031 -4.471 1.00 0.00 H new ATOM 0 HA MET A 56 -6.709 7.445 -6.801 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.341 9.475 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.231 8.721 -5.600 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.772 7.456 -8.293 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.654 8.799 -8.158 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.456 5.535 -8.735 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.122 5.782 -9.310 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.940 7.109 -9.408 1.00 0.00 H new ATOM 781 N MET A 57 -4.720 6.170 -4.501 1.00 0.00 N ATOM 782 CA MET A 57 -4.150 4.970 -3.922 1.00 0.00 C ATOM 783 C MET A 57 -5.265 3.966 -3.626 1.00 0.00 C ATOM 784 O MET A 57 -5.128 2.789 -3.945 1.00 0.00 O ATOM 785 CB MET A 57 -3.376 5.391 -2.675 1.00 0.00 C ATOM 786 CG MET A 57 -2.849 4.218 -1.848 1.00 0.00 C ATOM 787 SD MET A 57 -1.696 4.705 -0.541 1.00 0.00 S ATOM 788 CE MET A 57 -2.137 6.426 -0.197 1.00 0.00 C ATOM 0 H MET A 57 -4.457 7.018 -3.999 1.00 0.00 H new ATOM 0 HA MET A 57 -3.462 4.470 -4.604 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.536 6.018 -2.975 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.023 6.004 -2.047 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.693 3.694 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.353 3.511 -2.513 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.632 6.757 0.711 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.829 7.054 -1.033 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.216 6.505 -0.062 1.00 0.00 H new ATOM 798 N THR A 58 -6.369 4.442 -3.041 1.00 0.00 N ATOM 799 CA THR A 58 -7.550 3.643 -2.764 1.00 0.00 C ATOM 800 C THR A 58 -8.010 2.980 -4.053 1.00 0.00 C ATOM 801 O THR A 58 -8.140 1.764 -4.088 1.00 0.00 O ATOM 802 CB THR A 58 -8.660 4.484 -2.120 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.244 4.877 -0.829 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.982 3.714 -2.038 1.00 0.00 C ATOM 0 H THR A 58 -6.461 5.413 -2.744 1.00 0.00 H new ATOM 0 HA THR A 58 -7.301 2.868 -2.040 1.00 0.00 H new ATOM 0 HB THR A 58 -8.836 5.361 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.574 5.588 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.742 4.344 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.303 3.435 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.843 2.815 -1.438 1.00 0.00 H new ATOM 812 N ASN A 59 -8.235 3.751 -5.121 1.00 0.00 N ATOM 813 CA ASN A 59 -8.653 3.165 -6.388 1.00 0.00 C ATOM 814 C ASN A 59 -7.646 2.106 -6.840 1.00 0.00 C ATOM 815 O ASN A 59 -8.060 1.045 -7.307 1.00 0.00 O ATOM 816 CB ASN A 59 -8.835 4.245 -7.460 1.00 0.00 C ATOM 817 CG ASN A 59 -9.619 3.784 -8.696 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.145 4.622 -9.419 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.740 2.487 -8.982 1.00 0.00 N ATOM 0 H ASN A 59 -8.135 4.766 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.618 2.681 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.349 5.098 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.852 4.594 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.270 2.193 -9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.302 1.789 -8.380 1.00 0.00 H new ATOM 826 N ALA A 60 -6.343 2.380 -6.712 1.00 0.00 N ATOM 827 CA ALA A 60 -5.323 1.425 -7.126 1.00 0.00 C ATOM 828 C ALA A 60 -5.468 0.111 -6.352 1.00 0.00 C ATOM 829 O ALA A 60 -5.739 -0.937 -6.937 1.00 0.00 O ATOM 830 CB ALA A 60 -3.919 2.026 -6.974 1.00 0.00 C ATOM 0 H ALA A 60 -5.977 3.251 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.466 1.200 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.174 1.295 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.836 2.919 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.748 2.292 -5.931 1.00 0.00 H new ATOM 836 N VAL A 61 -5.317 0.161 -5.028 1.00 0.00 N ATOM 837 CA VAL A 61 -5.386 -1.035 -4.197 1.00 0.00 C ATOM 838 C VAL A 61 -6.759 -1.713 -4.292 1.00 0.00 C ATOM 839 O VAL A 61 -6.847 -2.937 -4.246 1.00 0.00 O ATOM 840 CB VAL A 61 -4.951 -0.705 -2.759 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.965 0.168 -2.020 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.709 -1.975 -1.941 1.00 0.00 C ATOM 0 H VAL A 61 -5.146 1.022 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.681 -1.775 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.021 -0.146 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.605 0.369 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.092 1.110 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.922 -0.351 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.403 -1.704 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.627 -2.560 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.924 -2.567 -2.411 1.00 0.00 H new ATOM 852 N LYS A 62 -7.838 -0.947 -4.464 1.00 0.00 N ATOM 853 CA LYS A 62 -9.184 -1.488 -4.581 1.00 0.00 C ATOM 854 C LYS A 62 -9.311 -2.419 -5.790 1.00 0.00 C ATOM 855 O LYS A 62 -10.179 -3.288 -5.793 1.00 0.00 O ATOM 856 CB LYS A 62 -10.203 -0.341 -4.620 1.00 0.00 C ATOM 857 CG LYS A 62 -11.653 -0.830 -4.551 1.00 0.00 C ATOM 858 CD LYS A 62 -12.584 0.364 -4.296 1.00 0.00 C ATOM 859 CE LYS A 62 -14.016 -0.077 -3.978 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.083 -0.835 -2.715 1.00 0.00 N ATOM 0 H LYS A 62 -7.797 0.070 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.397 -2.099 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.013 0.336 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.062 0.233 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.926 -1.325 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.762 -1.567 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.195 0.955 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.591 1.011 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.661 0.799 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.397 -0.692 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.005 -0.673 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.968 -1.850 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.324 -0.518 -2.079 1.00 0.00 H new ATOM 874 N LYS A 63 -8.459 -2.263 -6.811 1.00 0.00 N ATOM 875 CA LYS A 63 -8.478 -3.131 -7.972 1.00 0.00 C ATOM 876 C LYS A 63 -7.795 -4.483 -7.687 1.00 0.00 C ATOM 877 O LYS A 63 -7.797 -5.362 -8.547 1.00 0.00 O ATOM 878 CB LYS A 63 -7.860 -2.373 -9.155 1.00 0.00 C ATOM 879 CG LYS A 63 -8.921 -1.970 -10.188 1.00 0.00 C ATOM 880 CD LYS A 63 -9.969 -1.028 -9.571 1.00 0.00 C ATOM 881 CE LYS A 63 -10.865 -0.398 -10.644 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.621 -1.416 -11.395 1.00 0.00 N ATOM 0 H LYS A 63 -7.746 -1.534 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.505 -3.389 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.351 -1.481 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.105 -2.998 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.440 -1.479 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.413 -2.862 -10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.584 -1.582 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.466 -0.241 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.560 0.297 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.252 0.182 -11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.265 -0.947 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.959 -2.023 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.174 -1.997 -10.733 1.00 0.00 H new ATOM 896 N ALA A 64 -7.196 -4.652 -6.502 1.00 0.00 N ATOM 897 CA ALA A 64 -6.550 -5.882 -6.064 1.00 0.00 C ATOM 898 C ALA A 64 -7.590 -6.882 -5.555 1.00 0.00 C ATOM 899 O ALA A 64 -8.794 -6.735 -5.762 1.00 0.00 O ATOM 900 CB ALA A 64 -5.542 -5.509 -4.973 1.00 0.00 C ATOM 0 H ALA A 64 -7.149 -3.909 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.032 -6.365 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.038 -6.409 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.805 -4.816 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.064 -5.036 -4.141 1.00 0.00 H new ATOM 906 N SER A 65 -7.123 -7.940 -4.894 1.00 0.00 N ATOM 907 CA SER A 65 -7.978 -8.954 -4.282 1.00 0.00 C ATOM 908 C SER A 65 -7.284 -9.488 -3.030 1.00 0.00 C ATOM 909 O SER A 65 -6.076 -9.311 -2.899 1.00 0.00 O ATOM 910 CB SER A 65 -8.304 -10.054 -5.297 1.00 0.00 C ATOM 911 OG SER A 65 -8.912 -9.486 -6.442 1.00 0.00 O ATOM 0 H SER A 65 -6.127 -8.119 -4.767 1.00 0.00 H new ATOM 0 HA SER A 65 -8.932 -8.523 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.393 -10.581 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.971 -10.790 -4.848 1.00 0.00 H new ATOM 0 HG SER A 65 -9.117 -10.193 -7.089 1.00 0.00 H new ATOM 917 N ASP A 66 -8.033 -10.124 -2.120 1.00 0.00 N ATOM 918 CA ASP A 66 -7.555 -10.608 -0.820 1.00 0.00 C ATOM 919 C ASP A 66 -6.128 -11.170 -0.852 1.00 0.00 C ATOM 920 O ASP A 66 -5.281 -10.722 -0.081 1.00 0.00 O ATOM 921 CB ASP A 66 -8.559 -11.594 -0.194 1.00 0.00 C ATOM 922 CG ASP A 66 -8.475 -13.003 -0.775 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.525 -13.104 -2.021 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.317 -13.944 0.032 1.00 0.00 O ATOM 0 H ASP A 66 -9.022 -10.322 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.494 -9.733 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.386 -11.642 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.569 -11.211 -0.337 1.00 0.00 H new ATOM 929 N GLU A 67 -5.862 -12.128 -1.748 1.00 0.00 N ATOM 930 CA GLU A 67 -4.548 -12.738 -1.922 1.00 0.00 C ATOM 931 C GLU A 67 -3.490 -11.649 -2.074 1.00 0.00 C ATOM 932 O GLU A 67 -2.467 -11.642 -1.395 1.00 0.00 O ATOM 933 CB GLU A 67 -4.559 -13.631 -3.176 1.00 0.00 C ATOM 934 CG GLU A 67 -3.227 -14.376 -3.387 1.00 0.00 C ATOM 935 CD GLU A 67 -2.974 -14.702 -4.858 1.00 0.00 C ATOM 936 OE1 GLU A 67 -3.927 -15.173 -5.514 1.00 0.00 O ATOM 937 OE2 GLU A 67 -1.832 -14.455 -5.311 1.00 0.00 O ATOM 0 H GLU A 67 -6.569 -12.504 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.312 -13.345 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.368 -14.357 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.770 -13.018 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.408 -13.767 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.234 -15.299 -2.808 1.00 0.00 H new ATOM 944 N GLU A 68 -3.765 -10.733 -2.996 1.00 0.00 N ATOM 945 CA GLU A 68 -2.880 -9.654 -3.356 1.00 0.00 C ATOM 946 C GLU A 68 -2.737 -8.674 -2.195 1.00 0.00 C ATOM 947 O GLU A 68 -1.647 -8.166 -1.982 1.00 0.00 O ATOM 948 CB GLU A 68 -3.408 -8.922 -4.589 1.00 0.00 C ATOM 949 CG GLU A 68 -4.098 -9.744 -5.685 1.00 0.00 C ATOM 950 CD GLU A 68 -3.128 -10.691 -6.375 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.645 -11.616 -5.690 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.889 -10.489 -7.587 1.00 0.00 O ATOM 0 H GLU A 68 -4.638 -10.729 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.901 -10.075 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.114 -8.164 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.571 -8.395 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.917 -10.316 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.536 -9.071 -6.422 1.00 0.00 H new ATOM 959 N LEU A 69 -3.825 -8.371 -1.476 1.00 0.00 N ATOM 960 CA LEU A 69 -3.783 -7.460 -0.335 1.00 0.00 C ATOM 961 C LEU A 69 -2.856 -8.033 0.737 1.00 0.00 C ATOM 962 O LEU A 69 -1.916 -7.367 1.176 1.00 0.00 O ATOM 963 CB LEU A 69 -5.186 -7.221 0.248 1.00 0.00 C ATOM 964 CG LEU A 69 -6.185 -6.557 -0.713 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.537 -6.407 -0.006 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.716 -5.177 -1.180 1.00 0.00 C ATOM 0 H LEU A 69 -4.752 -8.750 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.401 -6.498 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.597 -8.178 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.092 -6.598 1.138 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.269 -7.196 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.251 -5.936 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.907 -7.390 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.416 -5.787 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.457 -4.751 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.594 -4.523 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.763 -5.273 -1.700 1.00 0.00 H new ATOM 978 N LYS A 70 -3.119 -9.277 1.149 1.00 0.00 N ATOM 979 CA LYS A 70 -2.301 -9.966 2.136 1.00 0.00 C ATOM 980 C LYS A 70 -0.857 -10.024 1.650 1.00 0.00 C ATOM 981 O LYS A 70 0.073 -9.722 2.394 1.00 0.00 O ATOM 982 CB LYS A 70 -2.863 -11.372 2.393 1.00 0.00 C ATOM 983 CG LYS A 70 -4.197 -11.305 3.149 1.00 0.00 C ATOM 984 CD LYS A 70 -4.827 -12.687 3.369 1.00 0.00 C ATOM 985 CE LYS A 70 -5.478 -13.212 2.084 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.187 -14.484 2.307 1.00 0.00 N ATOM 0 H LYS A 70 -3.905 -9.829 0.805 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.323 -9.420 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.005 -11.889 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.144 -11.955 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.038 -10.825 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.893 -10.678 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.063 -13.388 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.575 -12.627 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.178 -12.469 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.713 -13.352 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.988 -14.555 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.535 -15.278 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.540 -14.518 3.285 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.670 -10.396 0.386 1.00 0.00 N ATOM 1001 CA ALA A 71 0.649 -10.481 -0.200 1.00 0.00 C ATOM 1002 C ALA A 71 1.330 -9.117 -0.297 1.00 0.00 C ATOM 1003 O ALA A 71 2.545 -9.058 -0.136 1.00 0.00 O ATOM 1004 CB ALA A 71 0.559 -11.185 -1.546 1.00 0.00 C ATOM 0 H ALA A 71 -1.428 -10.644 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 71 1.286 -11.073 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.552 -11.250 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.158 -12.189 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.098 -10.621 -2.208 1.00 0.00 H new ATOM 1010 N LEU A 72 0.603 -8.023 -0.555 1.00 0.00 N ATOM 1011 CA LEU A 72 1.194 -6.707 -0.581 1.00 0.00 C ATOM 1012 C LEU A 72 1.693 -6.433 0.826 1.00 0.00 C ATOM 1013 O LEU A 72 2.863 -6.121 1.002 1.00 0.00 O ATOM 1014 CB LEU A 72 0.149 -5.669 -1.003 1.00 0.00 C ATOM 1015 CG LEU A 72 0.271 -5.240 -2.470 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.999 -4.477 -2.856 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.496 -4.345 -2.706 1.00 0.00 C ATOM 0 H LEU A 72 -0.399 -8.038 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 72 2.012 -6.649 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.847 -6.078 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.244 -4.789 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 72 0.395 -6.132 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.932 -4.163 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.866 -5.125 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.104 -3.599 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.544 -4.064 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.414 -3.447 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.401 -4.888 -2.433 1.00 0.00 H new ATOM 1029 N ALA A 73 0.818 -6.585 1.823 1.00 0.00 N ATOM 1030 CA ALA A 73 1.195 -6.386 3.212 1.00 0.00 C ATOM 1031 C ALA A 73 2.458 -7.183 3.549 1.00 0.00 C ATOM 1032 O ALA A 73 3.416 -6.627 4.079 1.00 0.00 O ATOM 1033 CB ALA A 73 0.023 -6.753 4.118 1.00 0.00 C ATOM 0 H ALA A 73 -0.158 -6.846 1.687 1.00 0.00 H new ATOM 0 HA ALA A 73 1.432 -5.335 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.307 -6.603 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.832 -6.120 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.244 -7.798 3.962 1.00 0.00 H new ATOM 1039 N ASP A 74 2.477 -8.477 3.216 1.00 0.00 N ATOM 1040 CA ASP A 74 3.634 -9.328 3.446 1.00 0.00 C ATOM 1041 C ASP A 74 4.882 -8.769 2.756 1.00 0.00 C ATOM 1042 O ASP A 74 5.887 -8.526 3.419 1.00 0.00 O ATOM 1043 CB ASP A 74 3.343 -10.754 2.969 1.00 0.00 C ATOM 1044 CG ASP A 74 4.557 -11.653 3.174 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.731 -12.118 4.321 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.291 -11.853 2.182 1.00 0.00 O ATOM 0 H ASP A 74 1.689 -8.957 2.781 1.00 0.00 H new ATOM 0 HA ASP A 74 3.833 -9.350 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.490 -11.158 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.069 -10.740 1.914 1.00 0.00 H new ATOM 1051 N TYR A 75 4.823 -8.563 1.435 1.00 0.00 N ATOM 1052 CA TYR A 75 5.957 -8.085 0.655 1.00 0.00 C ATOM 1053 C TYR A 75 6.482 -6.759 1.215 1.00 0.00 C ATOM 1054 O TYR A 75 7.659 -6.619 1.537 1.00 0.00 O ATOM 1055 CB TYR A 75 5.537 -7.972 -0.817 1.00 0.00 C ATOM 1056 CG TYR A 75 6.691 -7.780 -1.777 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.479 -8.887 -2.141 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.960 -6.515 -2.332 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.520 -8.736 -3.072 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.001 -6.368 -3.266 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.778 -7.477 -3.637 1.00 0.00 C ATOM 1062 OH TYR A 75 9.777 -7.341 -4.554 1.00 0.00 O ATOM 0 H TYR A 75 3.982 -8.725 0.881 1.00 0.00 H new ATOM 0 HA TYR A 75 6.781 -8.795 0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.991 -8.873 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.847 -7.135 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.283 -9.855 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.369 -5.659 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.121 -9.588 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.203 -5.400 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 75 9.826 -6.408 -4.849 1.00 0.00 H new ATOM 1072 N MET A 76 5.594 -5.776 1.346 1.00 0.00 N ATOM 1073 CA MET A 76 5.895 -4.472 1.900 1.00 0.00 C ATOM 1074 C MET A 76 6.412 -4.554 3.339 1.00 0.00 C ATOM 1075 O MET A 76 7.230 -3.734 3.744 1.00 0.00 O ATOM 1076 CB MET A 76 4.660 -3.593 1.739 1.00 0.00 C ATOM 1077 CG MET A 76 4.344 -3.397 0.247 1.00 0.00 C ATOM 1078 SD MET A 76 3.408 -1.911 -0.182 1.00 0.00 S ATOM 1079 CE MET A 76 2.216 -1.917 1.160 1.00 0.00 C ATOM 0 H MET A 76 4.620 -5.874 1.060 1.00 0.00 H new ATOM 0 HA MET A 76 6.719 -4.015 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.809 -4.052 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.827 -2.626 2.214 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.285 -3.380 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.786 -4.266 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.434 -1.186 0.955 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.772 -2.908 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.717 -1.661 2.093 1.00 0.00 H new ATOM 1089 N SER A 77 5.984 -5.554 4.113 1.00 0.00 N ATOM 1090 CA SER A 77 6.520 -5.782 5.450 1.00 0.00 C ATOM 1091 C SER A 77 7.893 -6.473 5.397 1.00 0.00 C ATOM 1092 O SER A 77 8.383 -6.895 6.445 1.00 0.00 O ATOM 1093 CB SER A 77 5.544 -6.624 6.279 1.00 0.00 C ATOM 1094 OG SER A 77 5.959 -6.680 7.633 1.00 0.00 O ATOM 0 H SER A 77 5.264 -6.220 3.832 1.00 0.00 H new ATOM 0 HA SER A 77 6.649 -4.809 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.543 -6.197 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.486 -7.632 5.869 1.00 0.00 H new ATOM 0 HG SER A 77 6.936 -6.742 7.673 1.00 0.00 H new ATOM 1100 N LYS A 78 8.499 -6.626 4.215 1.00 0.00 N ATOM 1101 CA LYS A 78 9.775 -7.284 4.002 1.00 0.00 C ATOM 1102 C LYS A 78 10.553 -6.414 3.014 1.00 0.00 C ATOM 1103 O LYS A 78 11.200 -6.909 2.090 1.00 0.00 O ATOM 1104 CB LYS A 78 9.470 -8.673 3.431 1.00 0.00 C ATOM 1105 CG LYS A 78 10.672 -9.622 3.515 1.00 0.00 C ATOM 1106 CD LYS A 78 10.485 -10.870 2.637 1.00 0.00 C ATOM 1107 CE LYS A 78 10.256 -10.557 1.149 1.00 0.00 C ATOM 1108 NZ LYS A 78 11.182 -9.527 0.640 1.00 0.00 N ATOM 0 H LYS A 78 8.089 -6.277 3.349 1.00 0.00 H new ATOM 0 HA LYS A 78 10.367 -7.405 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.630 -9.108 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.162 -8.574 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.573 -9.093 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.821 -9.927 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.366 -11.505 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.637 -11.442 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.377 -11.470 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.229 -10.221 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.045 -9.413 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.992 -8.623 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.163 -9.819 0.827 1.00 0.00 H new ATOM 1122 N LEU A 79 10.448 -5.102 3.208 1.00 0.00 N ATOM 1123 CA LEU A 79 10.988 -4.058 2.393 1.00 0.00 C ATOM 1124 C LEU A 79 11.239 -2.910 3.367 1.00 0.00 C ATOM 1125 O LEU A 79 12.199 -2.146 3.135 1.00 0.00 O ATOM 1126 CB LEU A 79 9.883 -3.664 1.416 1.00 0.00 C ATOM 1127 CG LEU A 79 9.913 -4.329 0.031 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.890 -3.593 -0.841 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.268 -4.303 -0.688 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.441 -2.826 4.330 1.00 0.00 O ATOM 0 H LEU A 79 9.938 -4.729 4.009 1.00 0.00 H new ATOM 0 HA LEU A 79 11.891 -4.328 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.923 -3.889 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.923 -2.584 1.275 1.00 0.00 H new ATOM 0 HG LEU A 79 9.690 -5.385 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.877 -4.034 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.900 -3.681 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.164 -2.540 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.177 -4.798 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.581 -3.270 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.011 -4.823 -0.083 1.00 0.00 H new