USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=28 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 32 GLN : amide:sc= 1.79 K(o=3.2,f=-2.1) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -144:sc= 1.37 (180deg=0.0633) USER MOD Single : A 7 TYR OH : rot -173:sc= 1.2 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 84:sc= 0.764 USER MOD Single : A 10 CYS SG : rot 58:sc= -0.918 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.135 (180deg=-0.523) 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+ 164:sc= -0.0239 (180deg=-0.223) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.833) USER MOD Single : A 38 TYR OH : rot 10:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.117) USER MOD Single : A 41 MET CE :methyl 146:sc= -2.22 (180deg=-6.51!) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0.783 (180deg=0.741) USER MOD Single : A 44 TYR OH : rot 100:sc= 0.214 USER MOD Single : A 48 SER OG : rot 58:sc= 0.777 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.331) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.027 (180deg=-0.283) USER MOD Single : A 57 MET CE :methyl 168:sc= -0.856 (180deg=-1.62) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 59 ASN : amide:sc= 0.17 X(o=0.17,f=-0.031) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0.956 (180deg=0.89) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0607) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -178:sc= -0.572 (180deg=-0.605) USER MOD Single : A 77 SER OG : rot -38:sc= 0.688 USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= 0.0342 (180deg=-0.0127) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 0.786 -9.825 -4.600 1.00 0.00 N ATOM 26 CA GLY A 3 1.441 -8.810 -3.790 1.00 0.00 C ATOM 27 C GLY A 3 2.597 -8.172 -4.556 1.00 0.00 C ATOM 28 O GLY A 3 2.575 -6.984 -4.855 1.00 0.00 O ATOM 0 HA2 GLY A 3 0.720 -8.044 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.812 -9.257 -2.868 1.00 0.00 H new ATOM 32 N ALA A 4 3.599 -8.972 -4.912 1.00 0.00 N ATOM 33 CA ALA A 4 4.793 -8.518 -5.615 1.00 0.00 C ATOM 34 C ALA A 4 4.434 -7.843 -6.942 1.00 0.00 C ATOM 35 O ALA A 4 4.865 -6.721 -7.219 1.00 0.00 O ATOM 36 CB ALA A 4 5.735 -9.704 -5.838 1.00 0.00 C ATOM 0 H ALA A 4 3.602 -9.973 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 4 5.299 -7.772 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.628 -9.366 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.020 -10.129 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.229 -10.463 -6.434 1.00 0.00 H new ATOM 42 N ALA A 5 3.627 -8.538 -7.755 1.00 0.00 N ATOM 43 CA ALA A 5 3.186 -8.055 -9.060 1.00 0.00 C ATOM 44 C ALA A 5 2.510 -6.686 -8.962 1.00 0.00 C ATOM 45 O ALA A 5 2.571 -5.898 -9.899 1.00 0.00 O ATOM 46 CB ALA A 5 2.247 -9.082 -9.698 1.00 0.00 C ATOM 0 H ALA A 5 3.261 -9.460 -7.518 1.00 0.00 H new ATOM 0 HA ALA A 5 4.065 -7.930 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.919 -8.719 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.773 -10.029 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.379 -9.230 -9.055 1.00 0.00 H new ATOM 52 N LEU A 6 1.841 -6.417 -7.841 1.00 0.00 N ATOM 53 CA LEU A 6 1.175 -5.165 -7.575 1.00 0.00 C ATOM 54 C LEU A 6 2.225 -4.139 -7.140 1.00 0.00 C ATOM 55 O LEU A 6 2.409 -3.111 -7.797 1.00 0.00 O ATOM 56 CB LEU A 6 0.124 -5.405 -6.491 1.00 0.00 C ATOM 57 CG LEU A 6 -1.058 -6.257 -6.976 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.739 -7.614 -7.618 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.981 -6.507 -5.784 1.00 0.00 C ATOM 0 H LEU A 6 1.751 -7.089 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 6 0.672 -4.777 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.594 -5.898 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.250 -4.444 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.502 -5.671 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.667 -8.105 -7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.114 -7.462 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.209 -8.240 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.831 -7.111 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.433 -7.034 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.339 -5.554 -5.395 1.00 0.00 H new ATOM 71 N TYR A 7 2.931 -4.459 -6.046 1.00 0.00 N ATOM 72 CA TYR A 7 3.928 -3.619 -5.396 1.00 0.00 C ATOM 73 C TYR A 7 4.867 -2.933 -6.380 1.00 0.00 C ATOM 74 O TYR A 7 5.112 -1.733 -6.251 1.00 0.00 O ATOM 75 CB TYR A 7 4.730 -4.397 -4.345 1.00 0.00 C ATOM 76 CG TYR A 7 5.623 -3.475 -3.536 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.036 -2.530 -2.672 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.987 -3.360 -3.861 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.800 -1.470 -2.156 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.764 -2.334 -3.298 1.00 0.00 C ATOM 81 CZ TYR A 7 7.166 -1.372 -2.466 1.00 0.00 C ATOM 82 OH TYR A 7 7.887 -0.310 -2.012 1.00 0.00 O ATOM 0 H TYR A 7 2.811 -5.355 -5.573 1.00 0.00 H new ATOM 0 HA TYR A 7 3.364 -2.834 -4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.046 -4.921 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.338 -5.155 -4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.993 -2.621 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.438 -4.063 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.336 -0.730 -1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.823 -2.284 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 7 8.785 -0.333 -2.403 1.00 0.00 H new ATOM 92 N LYS A 8 5.379 -3.684 -7.361 1.00 0.00 N ATOM 93 CA LYS A 8 6.298 -3.161 -8.370 1.00 0.00 C ATOM 94 C LYS A 8 5.838 -1.819 -8.961 1.00 0.00 C ATOM 95 O LYS A 8 6.665 -0.989 -9.326 1.00 0.00 O ATOM 96 CB LYS A 8 6.552 -4.219 -9.453 1.00 0.00 C ATOM 97 CG LYS A 8 5.298 -4.572 -10.268 1.00 0.00 C ATOM 98 CD LYS A 8 5.147 -3.794 -11.584 1.00 0.00 C ATOM 99 CE LYS A 8 6.127 -4.280 -12.659 1.00 0.00 C ATOM 100 NZ LYS A 8 5.913 -3.570 -13.932 1.00 0.00 N ATOM 0 H LYS A 8 5.165 -4.675 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 8 7.244 -2.945 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.326 -3.857 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.937 -5.124 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.316 -5.639 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.418 -4.390 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.126 -3.899 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.311 -2.733 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.151 -4.124 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.002 -5.352 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.589 -3.918 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.943 -3.740 -14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.056 -2.550 -13.789 1.00 0.00 H new ATOM 114 N SER A 9 4.524 -1.603 -9.056 1.00 0.00 N ATOM 115 CA SER A 9 3.938 -0.379 -9.578 1.00 0.00 C ATOM 116 C SER A 9 4.013 0.744 -8.535 1.00 0.00 C ATOM 117 O SER A 9 4.374 1.883 -8.827 1.00 0.00 O ATOM 118 CB SER A 9 2.471 -0.657 -9.945 1.00 0.00 C ATOM 119 OG SER A 9 2.294 -1.996 -10.375 1.00 0.00 O ATOM 0 H SER A 9 3.829 -2.291 -8.765 1.00 0.00 H new ATOM 0 HA SER A 9 4.492 -0.058 -10.460 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.835 -0.463 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.155 0.026 -10.734 1.00 0.00 H new ATOM 0 HG SER A 9 2.176 -2.577 -9.595 1.00 0.00 H new ATOM 125 N CYS A 10 3.661 0.389 -7.298 1.00 0.00 N ATOM 126 CA CYS A 10 3.546 1.265 -6.140 1.00 0.00 C ATOM 127 C CYS A 10 4.877 1.959 -5.871 1.00 0.00 C ATOM 128 O CYS A 10 4.913 3.106 -5.412 1.00 0.00 O ATOM 129 CB CYS A 10 3.087 0.445 -4.927 1.00 0.00 C ATOM 130 SG CYS A 10 1.757 -0.766 -5.222 1.00 0.00 S ATOM 0 H CYS A 10 3.436 -0.579 -7.068 1.00 0.00 H new ATOM 0 HA CYS A 10 2.804 2.039 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.951 -0.087 -4.528 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.753 1.137 -4.154 1.00 0.00 H new ATOM 0 HG CYS A 10 2.131 -1.607 -6.140 1.00 0.00 H new ATOM 135 N ILE A 11 5.971 1.257 -6.189 1.00 0.00 N ATOM 136 CA ILE A 11 7.332 1.768 -6.115 1.00 0.00 C ATOM 137 C ILE A 11 7.417 3.183 -6.693 1.00 0.00 C ATOM 138 O ILE A 11 8.173 3.997 -6.167 1.00 0.00 O ATOM 139 CB ILE A 11 8.297 0.817 -6.848 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.450 -0.481 -6.035 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.675 1.454 -7.091 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.377 -1.512 -6.685 1.00 0.00 C ATOM 0 H ILE A 11 5.925 0.291 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 11 7.625 1.819 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 11 7.870 0.599 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.833 -0.235 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.466 -0.929 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.318 0.743 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.559 2.351 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.126 1.720 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.434 -2.399 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.985 -1.788 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.373 -1.084 -6.801 1.00 0.00 H new ATOM 154 N GLY A 12 6.651 3.483 -7.751 1.00 0.00 N ATOM 155 CA GLY A 12 6.627 4.805 -8.362 1.00 0.00 C ATOM 156 C GLY A 12 6.507 5.920 -7.319 1.00 0.00 C ATOM 157 O GLY A 12 7.204 6.929 -7.411 1.00 0.00 O ATOM 0 H GLY A 12 6.032 2.810 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.536 4.951 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.789 4.868 -9.057 1.00 0.00 H new ATOM 161 N CYS A 13 5.642 5.731 -6.316 1.00 0.00 N ATOM 162 CA CYS A 13 5.448 6.713 -5.251 1.00 0.00 C ATOM 163 C CYS A 13 6.232 6.327 -4.003 1.00 0.00 C ATOM 164 O CYS A 13 6.703 7.205 -3.289 1.00 0.00 O ATOM 165 CB CYS A 13 3.970 6.835 -4.871 1.00 0.00 C ATOM 166 SG CYS A 13 2.981 7.972 -5.881 1.00 0.00 S ATOM 0 H CYS A 13 5.062 4.897 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 13 5.807 7.668 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.518 5.845 -4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.908 7.156 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 13 1.753 7.977 -5.453 1.00 0.00 H new ATOM 171 N HIS A 14 6.352 5.028 -3.722 1.00 0.00 N ATOM 172 CA HIS A 14 6.937 4.538 -2.480 1.00 0.00 C ATOM 173 C HIS A 14 8.471 4.486 -2.445 1.00 0.00 C ATOM 174 O HIS A 14 9.059 4.722 -1.392 1.00 0.00 O ATOM 175 CB HIS A 14 6.224 3.231 -2.120 1.00 0.00 C ATOM 176 CG HIS A 14 4.870 3.535 -1.549 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.749 4.132 -0.306 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.593 3.475 -2.053 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.451 4.386 -0.115 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.680 3.949 -1.113 1.00 0.00 N ATOM 0 H HIS A 14 6.045 4.288 -4.353 1.00 0.00 H new ATOM 0 HA HIS A 14 6.761 5.269 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.123 2.604 -3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.816 2.669 -1.398 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.334 3.112 -3.037 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.065 4.893 0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.662 3.960 -1.173 1.00 0.00 H new ATOM 188 N GLY A 15 9.144 4.218 -3.564 1.00 0.00 N ATOM 189 CA GLY A 15 10.600 4.252 -3.624 1.00 0.00 C ATOM 190 C GLY A 15 11.262 2.997 -3.051 1.00 0.00 C ATOM 191 O GLY A 15 11.433 2.871 -1.838 1.00 0.00 O ATOM 0 H GLY A 15 8.696 3.973 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.911 4.376 -4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.958 5.124 -3.078 1.00 0.00 H new ATOM 195 N ALA A 16 11.675 2.094 -3.948 1.00 0.00 N ATOM 196 CA ALA A 16 12.357 0.838 -3.656 1.00 0.00 C ATOM 197 C ALA A 16 11.645 0.046 -2.554 1.00 0.00 C ATOM 198 O ALA A 16 10.538 -0.444 -2.770 1.00 0.00 O ATOM 199 CB ALA A 16 13.841 1.108 -3.373 1.00 0.00 C ATOM 0 H ALA A 16 11.533 2.232 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 16 12.314 0.190 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.347 0.167 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.299 1.573 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.932 1.776 -2.516 1.00 0.00 H new ATOM 205 N ASP A 17 12.254 -0.059 -1.368 1.00 0.00 N ATOM 206 CA ASP A 17 11.704 -0.777 -0.218 1.00 0.00 C ATOM 207 C ASP A 17 10.414 -0.128 0.297 1.00 0.00 C ATOM 208 O ASP A 17 9.694 -0.701 1.107 1.00 0.00 O ATOM 209 CB ASP A 17 12.758 -0.834 0.895 1.00 0.00 C ATOM 210 CG ASP A 17 14.098 -1.359 0.395 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.888 -0.507 -0.071 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.297 -2.591 0.451 1.00 0.00 O ATOM 0 H ASP A 17 13.163 0.363 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 17 11.448 -1.788 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.894 0.163 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.398 -1.473 1.701 1.00 0.00 H new ATOM 217 N GLY A 18 10.125 1.081 -0.172 1.00 0.00 N ATOM 218 CA GLY A 18 8.976 1.878 0.189 1.00 0.00 C ATOM 219 C GLY A 18 9.421 2.942 1.180 1.00 0.00 C ATOM 220 O GLY A 18 8.725 3.219 2.159 1.00 0.00 O ATOM 0 H GLY A 18 10.724 1.550 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.543 2.343 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.202 1.250 0.630 1.00 0.00 H new ATOM 224 N SER A 19 10.595 3.514 0.904 1.00 0.00 N ATOM 225 CA SER A 19 11.324 4.425 1.747 1.00 0.00 C ATOM 226 C SER A 19 10.954 5.896 1.571 1.00 0.00 C ATOM 227 O SER A 19 11.067 6.651 2.534 1.00 0.00 O ATOM 228 CB SER A 19 12.801 4.225 1.399 1.00 0.00 C ATOM 229 OG SER A 19 13.107 2.843 1.315 1.00 0.00 O ATOM 0 H SER A 19 11.081 3.332 0.026 1.00 0.00 H new ATOM 0 HA SER A 19 11.082 4.201 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.027 4.712 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.427 4.697 2.157 1.00 0.00 H new ATOM 0 HG SER A 19 14.054 2.731 1.090 1.00 0.00 H new ATOM 235 N LYS A 20 10.578 6.339 0.364 1.00 0.00 N ATOM 236 CA LYS A 20 10.326 7.762 0.172 1.00 0.00 C ATOM 237 C LYS A 20 8.972 8.152 0.762 1.00 0.00 C ATOM 238 O LYS A 20 7.988 7.423 0.634 1.00 0.00 O ATOM 239 CB LYS A 20 10.531 8.214 -1.290 1.00 0.00 C ATOM 240 CG LYS A 20 9.298 8.134 -2.201 1.00 0.00 C ATOM 241 CD LYS A 20 9.523 8.825 -3.557 1.00 0.00 C ATOM 242 CE LYS A 20 10.221 7.933 -4.590 1.00 0.00 C ATOM 243 NZ LYS A 20 9.292 6.944 -5.168 1.00 0.00 N ATOM 0 H LYS A 20 10.447 5.754 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 20 11.080 8.318 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.887 9.244 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.322 7.606 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.041 7.088 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.448 8.595 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.561 9.145 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.120 9.724 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.636 8.552 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.057 7.416 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.831 6.233 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.764 6.476 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.625 7.425 -5.805 1.00 0.00 H new ATOM 257 N ALA A 21 8.924 9.314 1.414 1.00 0.00 N ATOM 258 CA ALA A 21 7.693 9.847 1.963 1.00 0.00 C ATOM 259 C ALA A 21 6.849 10.341 0.790 1.00 0.00 C ATOM 260 O ALA A 21 7.149 11.382 0.208 1.00 0.00 O ATOM 261 CB ALA A 21 8.016 10.956 2.968 1.00 0.00 C ATOM 0 H ALA A 21 9.740 9.906 1.572 1.00 0.00 H new ATOM 0 HA ALA A 21 7.129 9.091 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.089 11.355 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.626 10.550 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.563 11.754 2.466 1.00 0.00 H new ATOM 267 N ALA A 22 5.840 9.556 0.402 1.00 0.00 N ATOM 268 CA ALA A 22 4.959 9.867 -0.716 1.00 0.00 C ATOM 269 C ALA A 22 4.147 11.151 -0.472 1.00 0.00 C ATOM 270 O ALA A 22 4.340 11.837 0.533 1.00 0.00 O ATOM 271 CB ALA A 22 4.072 8.650 -1.017 1.00 0.00 C ATOM 0 H ALA A 22 5.613 8.676 0.865 1.00 0.00 H new ATOM 0 HA ALA A 22 5.564 10.074 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.411 8.879 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.700 7.797 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.474 8.409 -0.138 1.00 0.00 H new ATOM 277 N MET A 23 3.241 11.462 -1.409 1.00 0.00 N ATOM 278 CA MET A 23 2.397 12.655 -1.436 1.00 0.00 C ATOM 279 C MET A 23 2.034 13.183 -0.042 1.00 0.00 C ATOM 280 O MET A 23 1.405 12.481 0.747 1.00 0.00 O ATOM 281 CB MET A 23 1.119 12.386 -2.248 1.00 0.00 C ATOM 282 CG MET A 23 1.379 12.067 -3.727 1.00 0.00 C ATOM 283 SD MET A 23 2.213 13.365 -4.677 1.00 0.00 S ATOM 284 CE MET A 23 2.352 12.536 -6.275 1.00 0.00 C ATOM 0 H MET A 23 3.071 10.853 -2.209 1.00 0.00 H new ATOM 0 HA MET A 23 2.988 13.435 -1.917 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.581 11.553 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.468 13.258 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.979 11.159 -3.784 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.424 11.849 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.846 13.198 -6.986 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.937 11.623 -6.162 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.357 12.286 -6.643 1.00 0.00 H new ATOM 294 N GLY A 24 2.430 14.427 0.246 1.00 0.00 N ATOM 295 CA GLY A 24 2.152 15.103 1.505 1.00 0.00 C ATOM 296 C GLY A 24 2.951 14.524 2.673 1.00 0.00 C ATOM 297 O GLY A 24 2.429 14.414 3.782 1.00 0.00 O ATOM 0 H GLY A 24 2.964 14.999 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.383 16.163 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.087 15.028 1.726 1.00 0.00 H new ATOM 301 N SER A 25 4.220 14.177 2.435 1.00 0.00 N ATOM 302 CA SER A 25 5.120 13.621 3.442 1.00 0.00 C ATOM 303 C SER A 25 4.486 12.418 4.143 1.00 0.00 C ATOM 304 O SER A 25 4.406 12.357 5.368 1.00 0.00 O ATOM 305 CB SER A 25 5.539 14.699 4.442 1.00 0.00 C ATOM 306 OG SER A 25 6.106 15.796 3.754 1.00 0.00 O ATOM 0 H SER A 25 4.656 14.278 1.518 1.00 0.00 H new ATOM 0 HA SER A 25 6.019 13.265 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.675 15.028 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.260 14.290 5.150 1.00 0.00 H new ATOM 0 HG SER A 25 6.371 16.485 4.399 1.00 0.00 H new ATOM 312 N ALA A 26 4.032 11.465 3.338 1.00 0.00 N ATOM 313 CA ALA A 26 3.350 10.270 3.799 1.00 0.00 C ATOM 314 C ALA A 26 4.272 9.338 4.583 1.00 0.00 C ATOM 315 O ALA A 26 5.466 9.268 4.302 1.00 0.00 O ATOM 316 CB ALA A 26 2.837 9.528 2.572 1.00 0.00 C ATOM 0 H ALA A 26 4.132 11.506 2.324 1.00 0.00 H new ATOM 0 HA ALA A 26 2.543 10.570 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.318 8.622 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.149 10.169 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.677 9.261 1.930 1.00 0.00 H new ATOM 322 N LYS A 27 3.708 8.590 5.537 1.00 0.00 N ATOM 323 CA LYS A 27 4.395 7.561 6.288 1.00 0.00 C ATOM 324 C LYS A 27 5.027 6.574 5.300 1.00 0.00 C ATOM 325 O LYS A 27 4.293 5.966 4.518 1.00 0.00 O ATOM 326 CB LYS A 27 3.340 6.836 7.143 1.00 0.00 C ATOM 327 CG LYS A 27 3.740 6.709 8.604 1.00 0.00 C ATOM 328 CD LYS A 27 4.898 5.716 8.783 1.00 0.00 C ATOM 329 CE LYS A 27 5.027 5.240 10.234 1.00 0.00 C ATOM 330 NZ LYS A 27 3.899 4.375 10.628 1.00 0.00 N ATOM 0 H LYS A 27 2.730 8.696 5.808 1.00 0.00 H new ATOM 0 HA LYS A 27 5.175 7.982 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.395 7.375 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.169 5.841 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.033 7.686 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.882 6.380 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.742 4.856 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.831 6.187 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.963 4.695 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.072 6.104 10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.144 3.860 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.056 4.960 10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.701 3.695 9.867 1.00 0.00 H new ATOM 344 N PRO A 28 6.359 6.404 5.278 1.00 0.00 N ATOM 345 CA PRO A 28 6.969 5.431 4.395 1.00 0.00 C ATOM 346 C PRO A 28 6.411 4.035 4.668 1.00 0.00 C ATOM 347 O PRO A 28 6.034 3.709 5.793 1.00 0.00 O ATOM 348 CB PRO A 28 8.474 5.515 4.656 1.00 0.00 C ATOM 349 CG PRO A 28 8.656 6.951 5.145 1.00 0.00 C ATOM 350 CD PRO A 28 7.377 7.196 5.948 1.00 0.00 C ATOM 0 HA PRO A 28 6.753 5.636 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.795 4.790 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.052 5.319 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.548 7.059 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.754 7.652 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.497 6.888 6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.113 8.253 5.957 1.00 0.00 H new ATOM 358 N VAL A 29 6.347 3.211 3.627 1.00 0.00 N ATOM 359 CA VAL A 29 5.802 1.866 3.707 1.00 0.00 C ATOM 360 C VAL A 29 6.804 0.933 4.373 1.00 0.00 C ATOM 361 O VAL A 29 6.384 0.089 5.162 1.00 0.00 O ATOM 362 CB VAL A 29 5.453 1.398 2.277 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.581 -0.114 2.046 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.016 1.803 1.962 1.00 0.00 C ATOM 0 H VAL A 29 6.676 3.464 2.695 1.00 0.00 H new ATOM 0 HA VAL A 29 4.898 1.855 4.316 1.00 0.00 H new ATOM 0 HB VAL A 29 6.181 1.877 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.316 -0.348 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.608 -0.426 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.910 -0.643 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.759 1.477 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.341 1.335 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.921 2.887 2.029 1.00 0.00 H new ATOM 374 N LYS A 30 8.090 1.084 4.014 1.00 0.00 N ATOM 375 CA LYS A 30 9.227 0.259 4.418 1.00 0.00 C ATOM 376 C LYS A 30 8.965 -0.554 5.688 1.00 0.00 C ATOM 377 O LYS A 30 9.262 -0.117 6.798 1.00 0.00 O ATOM 378 CB LYS A 30 10.497 1.113 4.518 1.00 0.00 C ATOM 379 CG LYS A 30 11.737 0.212 4.566 1.00 0.00 C ATOM 380 CD LYS A 30 13.021 1.042 4.683 1.00 0.00 C ATOM 381 CE LYS A 30 14.268 0.176 4.459 1.00 0.00 C ATOM 382 NZ LYS A 30 14.262 -1.041 5.292 1.00 0.00 N ATOM 0 H LYS A 30 8.376 1.839 3.391 1.00 0.00 H new ATOM 0 HA LYS A 30 9.380 -0.486 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.560 1.786 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.456 1.736 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.662 -0.469 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.779 -0.402 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.001 1.851 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.069 1.504 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.327 -0.106 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.159 0.762 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.233 -1.401 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.883 -0.815 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.666 -1.766 4.844 1.00 0.00 H new ATOM 396 N GLY A 31 8.366 -1.727 5.486 1.00 0.00 N ATOM 397 CA GLY A 31 8.014 -2.682 6.510 1.00 0.00 C ATOM 398 C GLY A 31 7.422 -2.096 7.790 1.00 0.00 C ATOM 399 O GLY A 31 7.919 -2.409 8.869 1.00 0.00 O ATOM 0 H GLY A 31 8.104 -2.043 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.297 -3.388 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.906 -3.251 6.772 1.00 0.00 H new ATOM 403 N GLN A 32 6.343 -1.300 7.693 1.00 0.00 N ATOM 404 CA GLN A 32 5.656 -0.794 8.900 1.00 0.00 C ATOM 405 C GLN A 32 5.397 -1.960 9.857 1.00 0.00 C ATOM 406 O GLN A 32 5.741 -1.947 11.036 1.00 0.00 O ATOM 407 CB GLN A 32 4.327 -0.067 8.604 1.00 0.00 C ATOM 408 CG GLN A 32 4.407 0.874 7.404 1.00 0.00 C ATOM 409 CD GLN A 32 3.267 1.890 7.338 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.220 1.695 7.951 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.459 2.966 6.575 1.00 0.00 N ATOM 0 H GLN A 32 5.932 -0.996 6.810 1.00 0.00 H new ATOM 0 HA GLN A 32 6.318 -0.053 9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.548 -0.808 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.029 0.503 9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.356 1.409 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.406 0.281 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.343 3.091 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.722 3.665 6.484 1.00 0.00 H new ATOM 420 N GLY A 33 4.767 -2.966 9.268 1.00 0.00 N ATOM 421 CA GLY A 33 4.468 -4.271 9.849 1.00 0.00 C ATOM 422 C GLY A 33 3.308 -4.910 9.094 1.00 0.00 C ATOM 423 O GLY A 33 2.364 -4.203 8.776 1.00 0.00 O ATOM 0 H GLY A 33 4.428 -2.889 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.347 -4.914 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.214 -4.162 10.903 1.00 0.00 H new ATOM 427 N ALA A 34 3.350 -6.208 8.774 1.00 0.00 N ATOM 428 CA ALA A 34 2.287 -6.886 8.026 1.00 0.00 C ATOM 429 C ALA A 34 0.897 -6.548 8.559 1.00 0.00 C ATOM 430 O ALA A 34 -0.011 -6.301 7.778 1.00 0.00 O ATOM 431 CB ALA A 34 2.494 -8.405 8.009 1.00 0.00 C ATOM 0 H ALA A 34 4.126 -6.820 9.028 1.00 0.00 H new ATOM 0 HA ALA A 34 2.348 -6.516 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.688 -8.876 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.449 -8.637 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.492 -8.784 9.031 1.00 0.00 H new ATOM 437 N GLU A 35 0.732 -6.521 9.881 1.00 0.00 N ATOM 438 CA GLU A 35 -0.523 -6.185 10.530 1.00 0.00 C ATOM 439 C GLU A 35 -0.976 -4.792 10.083 1.00 0.00 C ATOM 440 O GLU A 35 -2.081 -4.618 9.569 1.00 0.00 O ATOM 441 CB GLU A 35 -0.320 -6.222 12.053 1.00 0.00 C ATOM 442 CG GLU A 35 -0.154 -7.645 12.616 1.00 0.00 C ATOM 443 CD GLU A 35 1.153 -8.332 12.218 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.143 -7.600 11.988 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.137 -9.578 12.139 1.00 0.00 O ATOM 0 H GLU A 35 1.483 -6.736 10.537 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.293 -6.904 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.561 -5.634 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.173 -5.746 12.537 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.211 -7.602 13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.990 -8.257 12.277 1.00 0.00 H new ATOM 452 N GLU A 36 -0.091 -3.815 10.296 1.00 0.00 N ATOM 453 CA GLU A 36 -0.291 -2.417 9.954 1.00 0.00 C ATOM 454 C GLU A 36 -0.642 -2.303 8.474 1.00 0.00 C ATOM 455 O GLU A 36 -1.699 -1.801 8.102 1.00 0.00 O ATOM 456 CB GLU A 36 1.008 -1.646 10.261 1.00 0.00 C ATOM 457 CG GLU A 36 1.308 -1.542 11.760 1.00 0.00 C ATOM 458 CD GLU A 36 0.333 -0.615 12.478 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.579 0.610 12.433 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.645 -1.147 13.047 1.00 0.00 O ATOM 0 H GLU A 36 0.816 -3.989 10.728 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.109 -1.995 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.842 -2.140 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.935 -0.643 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.261 -2.534 12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.325 -1.177 11.901 1.00 0.00 H new ATOM 467 N LEU A 37 0.273 -2.790 7.641 1.00 0.00 N ATOM 468 CA LEU A 37 0.180 -2.755 6.198 1.00 0.00 C ATOM 469 C LEU A 37 -1.135 -3.367 5.723 1.00 0.00 C ATOM 470 O LEU A 37 -1.822 -2.761 4.911 1.00 0.00 O ATOM 471 CB LEU A 37 1.386 -3.494 5.606 1.00 0.00 C ATOM 472 CG LEU A 37 2.731 -2.776 5.834 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.877 -3.781 5.690 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.938 -1.651 4.820 1.00 0.00 C ATOM 0 H LEU A 37 1.129 -3.235 7.972 1.00 0.00 H new ATOM 0 HA LEU A 37 0.192 -1.720 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.439 -4.491 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.231 -3.623 4.535 1.00 0.00 H new ATOM 0 HG LEU A 37 2.718 -2.348 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.828 -3.274 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.760 -4.575 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.860 -4.211 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.895 -1.164 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.932 -2.065 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.134 -0.921 4.917 1.00 0.00 H new ATOM 486 N TYR A 38 -1.489 -4.557 6.213 1.00 0.00 N ATOM 487 CA TYR A 38 -2.725 -5.233 5.848 1.00 0.00 C ATOM 488 C TYR A 38 -3.913 -4.355 6.143 1.00 0.00 C ATOM 489 O TYR A 38 -4.695 -4.034 5.260 1.00 0.00 O ATOM 490 CB TYR A 38 -2.909 -6.534 6.633 1.00 0.00 C ATOM 491 CG TYR A 38 -4.132 -7.331 6.204 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.315 -7.680 4.850 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.167 -7.577 7.127 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.522 -8.261 4.423 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.364 -8.177 6.702 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.543 -8.521 5.352 1.00 0.00 C ATOM 497 OH TYR A 38 -7.723 -9.079 4.957 1.00 0.00 O ATOM 0 H TYR A 38 -0.918 -5.078 6.879 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.659 -5.452 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.020 -7.153 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.991 -6.301 7.695 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.524 -7.500 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.040 -7.304 8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.664 -8.507 3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.150 -8.375 7.416 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.647 -9.380 4.028 1.00 0.00 H new ATOM 507 N LYS A 39 -4.052 -4.014 7.413 1.00 0.00 N ATOM 508 CA LYS A 39 -5.184 -3.225 7.868 1.00 0.00 C ATOM 509 C LYS A 39 -5.323 -1.916 7.090 1.00 0.00 C ATOM 510 O LYS A 39 -6.413 -1.580 6.637 1.00 0.00 O ATOM 511 CB LYS A 39 -5.056 -2.965 9.372 1.00 0.00 C ATOM 512 CG LYS A 39 -5.257 -4.257 10.173 1.00 0.00 C ATOM 513 CD LYS A 39 -4.910 -4.020 11.648 1.00 0.00 C ATOM 514 CE LYS A 39 -5.126 -5.282 12.492 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.263 -6.393 12.054 1.00 0.00 N ATOM 0 H LYS A 39 -3.394 -4.272 8.148 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.094 -3.794 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.073 -2.547 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.793 -2.224 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.290 -4.593 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.628 -5.049 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.871 -3.701 11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.525 -3.210 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.924 -5.057 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.170 -5.587 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.314 -7.166 12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.585 -6.738 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.281 -6.060 11.978 1.00 0.00 H new ATOM 529 N LYS A 40 -4.237 -1.168 6.921 1.00 0.00 N ATOM 530 CA LYS A 40 -4.251 0.096 6.223 1.00 0.00 C ATOM 531 C LYS A 40 -4.502 -0.106 4.723 1.00 0.00 C ATOM 532 O LYS A 40 -5.271 0.650 4.130 1.00 0.00 O ATOM 533 CB LYS A 40 -2.894 0.730 6.516 1.00 0.00 C ATOM 534 CG LYS A 40 -2.768 1.113 8.001 1.00 0.00 C ATOM 535 CD LYS A 40 -1.351 1.611 8.293 1.00 0.00 C ATOM 536 CE LYS A 40 -1.111 1.784 9.793 1.00 0.00 C ATOM 537 NZ LYS A 40 0.246 2.299 10.047 1.00 0.00 N ATOM 0 H LYS A 40 -3.317 -1.433 7.272 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.060 0.747 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.099 0.034 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.763 1.617 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.493 1.888 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.996 0.251 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.626 0.905 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.188 2.562 7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.849 2.470 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.244 0.828 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.622 1.872 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.865 2.057 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.210 3.333 10.156 1.00 0.00 H new ATOM 551 N MET A 41 -3.888 -1.116 4.091 1.00 0.00 N ATOM 552 CA MET A 41 -4.105 -1.358 2.670 1.00 0.00 C ATOM 553 C MET A 41 -5.542 -1.833 2.423 1.00 0.00 C ATOM 554 O MET A 41 -6.177 -1.386 1.472 1.00 0.00 O ATOM 555 CB MET A 41 -2.978 -2.187 2.027 1.00 0.00 C ATOM 556 CG MET A 41 -2.929 -3.712 2.188 1.00 0.00 C ATOM 557 SD MET A 41 -3.925 -4.500 0.943 1.00 0.00 S ATOM 558 CE MET A 41 -3.135 -3.907 -0.574 1.00 0.00 C ATOM 0 H MET A 41 -3.245 -1.768 4.541 1.00 0.00 H new ATOM 0 HA MET A 41 -4.027 -0.418 2.124 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.999 -1.979 0.957 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.035 -1.795 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.899 -4.059 2.112 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.287 -3.991 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.186 -4.683 -1.338 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.651 -3.015 -0.928 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.092 -3.666 -0.371 1.00 0.00 H new ATOM 568 N LYS A 42 -6.081 -2.677 3.307 1.00 0.00 N ATOM 569 CA LYS A 42 -7.487 -3.056 3.334 1.00 0.00 C ATOM 570 C LYS A 42 -8.310 -1.779 3.490 1.00 0.00 C ATOM 571 O LYS A 42 -9.292 -1.571 2.789 1.00 0.00 O ATOM 572 CB LYS A 42 -7.741 -4.033 4.494 1.00 0.00 C ATOM 573 CG LYS A 42 -9.134 -4.662 4.390 1.00 0.00 C ATOM 574 CD LYS A 42 -9.338 -5.694 5.506 1.00 0.00 C ATOM 575 CE LYS A 42 -10.685 -6.412 5.368 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.824 -5.490 5.526 1.00 0.00 N ATOM 0 H LYS A 42 -5.533 -3.125 4.041 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.774 -3.563 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.983 -4.817 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.646 -3.507 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.897 -3.886 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.253 -5.140 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.530 -6.425 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.286 -5.198 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.741 -6.892 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.752 -7.202 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.713 -6.028 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.750 -5.000 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.814 -4.791 4.756 1.00 0.00 H new ATOM 590 N GLY A 43 -7.877 -0.921 4.412 1.00 0.00 N ATOM 591 CA GLY A 43 -8.401 0.399 4.684 1.00 0.00 C ATOM 592 C GLY A 43 -8.674 1.166 3.393 1.00 0.00 C ATOM 593 O GLY A 43 -9.799 1.609 3.133 1.00 0.00 O ATOM 0 H GLY A 43 -7.097 -1.154 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.322 0.315 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.691 0.955 5.296 1.00 0.00 H new ATOM 597 N TYR A 44 -7.588 1.363 2.644 1.00 0.00 N ATOM 598 CA TYR A 44 -7.563 2.064 1.369 1.00 0.00 C ATOM 599 C TYR A 44 -8.442 1.323 0.356 1.00 0.00 C ATOM 600 O TYR A 44 -9.338 1.914 -0.242 1.00 0.00 O ATOM 601 CB TYR A 44 -6.111 2.204 0.868 1.00 0.00 C ATOM 602 CG TYR A 44 -5.218 3.189 1.608 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.602 4.537 1.733 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.935 2.803 2.045 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.818 5.428 2.488 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.117 3.716 2.735 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.589 5.006 3.018 1.00 0.00 C ATOM 608 OH TYR A 44 -2.854 5.851 3.795 1.00 0.00 O ATOM 0 H TYR A 44 -6.668 1.023 2.924 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.966 3.069 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.641 1.221 0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.141 2.496 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.501 4.888 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.578 1.802 1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.162 6.437 2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.125 3.424 3.047 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.994 5.631 4.740 1.00 0.00 H new ATOM 618 N ALA A 45 -8.216 0.022 0.174 1.00 0.00 N ATOM 619 CA ALA A 45 -8.970 -0.805 -0.760 1.00 0.00 C ATOM 620 C ALA A 45 -10.474 -0.728 -0.503 1.00 0.00 C ATOM 621 O ALA A 45 -11.260 -0.705 -1.446 1.00 0.00 O ATOM 622 CB ALA A 45 -8.476 -2.251 -0.687 1.00 0.00 C ATOM 0 H ALA A 45 -7.494 -0.491 0.679 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.801 -0.421 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.043 -2.865 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.418 -2.288 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.615 -2.632 0.325 1.00 0.00 H new ATOM 628 N ASP A 46 -10.879 -0.650 0.767 1.00 0.00 N ATOM 629 CA ASP A 46 -12.283 -0.575 1.151 1.00 0.00 C ATOM 630 C ASP A 46 -12.782 0.874 1.144 1.00 0.00 C ATOM 631 O ASP A 46 -13.860 1.140 1.672 1.00 0.00 O ATOM 632 CB ASP A 46 -12.481 -1.204 2.541 1.00 0.00 C ATOM 633 CG ASP A 46 -12.175 -2.701 2.608 1.00 0.00 C ATOM 634 OD1 ASP A 46 -11.915 -3.304 1.544 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.223 -3.227 3.741 1.00 0.00 O ATOM 0 H ASP A 46 -10.236 -0.637 1.559 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.868 -1.133 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.844 -0.683 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.512 -1.042 2.856 1.00 0.00 H new ATOM 640 N GLY A 47 -12.007 1.820 0.595 1.00 0.00 N ATOM 641 CA GLY A 47 -12.347 3.236 0.543 1.00 0.00 C ATOM 642 C GLY A 47 -12.813 3.763 1.899 1.00 0.00 C ATOM 643 O GLY A 47 -13.667 4.644 1.957 1.00 0.00 O ATOM 0 H GLY A 47 -11.106 1.609 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.479 3.805 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.132 3.393 -0.196 1.00 0.00 H new ATOM 647 N SER A 48 -12.248 3.220 2.982 1.00 0.00 N ATOM 648 CA SER A 48 -12.628 3.554 4.347 1.00 0.00 C ATOM 649 C SER A 48 -11.509 4.373 4.981 1.00 0.00 C ATOM 650 O SER A 48 -11.724 5.479 5.471 1.00 0.00 O ATOM 651 CB SER A 48 -12.904 2.253 5.106 1.00 0.00 C ATOM 652 OG SER A 48 -13.948 1.533 4.474 1.00 0.00 O ATOM 0 H SER A 48 -11.503 2.526 2.928 1.00 0.00 H new ATOM 0 HA SER A 48 -13.535 4.157 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.001 1.644 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.178 2.476 6.137 1.00 0.00 H new ATOM 0 HG SER A 48 -13.700 1.346 3.544 1.00 0.00 H new ATOM 658 N TYR A 49 -10.297 3.821 4.960 1.00 0.00 N ATOM 659 CA TYR A 49 -9.110 4.502 5.437 1.00 0.00 C ATOM 660 C TYR A 49 -8.635 5.350 4.258 1.00 0.00 C ATOM 661 O TYR A 49 -7.972 4.819 3.374 1.00 0.00 O ATOM 662 CB TYR A 49 -8.057 3.442 5.786 1.00 0.00 C ATOM 663 CG TYR A 49 -6.736 3.949 6.287 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.602 4.350 7.625 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.594 3.732 5.501 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.326 4.581 8.159 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.324 3.949 6.041 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.185 4.435 7.349 1.00 0.00 C ATOM 669 OH TYR A 49 -2.945 4.677 7.860 1.00 0.00 O ATOM 0 H TYR A 49 -10.117 2.881 4.607 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.290 5.115 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.477 2.780 6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.875 2.836 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.479 4.480 8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.697 3.397 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.219 4.871 9.194 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.445 3.742 5.448 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.270 4.527 7.165 1.00 0.00 H new ATOM 679 N GLY A 50 -8.987 6.633 4.171 1.00 0.00 N ATOM 680 CA GLY A 50 -8.525 7.405 3.030 1.00 0.00 C ATOM 681 C GLY A 50 -8.940 8.868 3.079 1.00 0.00 C ATOM 682 O GLY A 50 -9.544 9.323 4.047 1.00 0.00 O ATOM 0 H GLY A 50 -9.564 7.137 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.438 7.345 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.914 6.956 2.116 1.00 0.00 H new ATOM 686 N GLY A 51 -8.588 9.595 2.017 1.00 0.00 N ATOM 687 CA GLY A 51 -8.865 11.004 1.814 1.00 0.00 C ATOM 688 C GLY A 51 -8.407 11.355 0.399 1.00 0.00 C ATOM 689 O GLY A 51 -7.755 10.531 -0.246 1.00 0.00 O ATOM 0 H GLY A 51 -8.074 9.186 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.929 11.208 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.337 11.610 2.551 1.00 0.00 H new ATOM 693 N GLU A 52 -8.721 12.566 -0.071 1.00 0.00 N ATOM 694 CA GLU A 52 -8.416 13.045 -1.418 1.00 0.00 C ATOM 695 C GLU A 52 -7.007 12.648 -1.873 1.00 0.00 C ATOM 696 O GLU A 52 -6.845 11.958 -2.875 1.00 0.00 O ATOM 697 CB GLU A 52 -8.611 14.568 -1.517 1.00 0.00 C ATOM 698 CG GLU A 52 -10.022 15.042 -1.131 1.00 0.00 C ATOM 699 CD GLU A 52 -10.143 15.386 0.353 1.00 0.00 C ATOM 700 OE1 GLU A 52 -10.363 14.439 1.139 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.987 16.583 0.675 1.00 0.00 O ATOM 0 H GLU A 52 -9.210 13.260 0.495 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.120 12.559 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.884 15.060 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.398 14.886 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.282 15.918 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.743 14.263 -1.379 1.00 0.00 H new ATOM 708 N ARG A 53 -5.989 13.052 -1.110 1.00 0.00 N ATOM 709 CA ARG A 53 -4.587 12.784 -1.381 1.00 0.00 C ATOM 710 C ARG A 53 -4.272 11.302 -1.631 1.00 0.00 C ATOM 711 O ARG A 53 -3.302 10.988 -2.316 1.00 0.00 O ATOM 712 CB ARG A 53 -3.777 13.346 -0.206 1.00 0.00 C ATOM 713 CG ARG A 53 -4.067 12.637 1.128 1.00 0.00 C ATOM 714 CD ARG A 53 -3.340 13.312 2.295 1.00 0.00 C ATOM 715 NE ARG A 53 -1.904 13.003 2.279 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.057 13.279 3.281 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.475 13.942 4.364 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.216 12.893 3.189 1.00 0.00 N ATOM 0 H ARG A 53 -6.130 13.594 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.313 13.274 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.714 13.259 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.994 14.409 -0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.141 12.640 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.758 11.594 1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.483 14.391 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.775 12.981 3.238 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.525 12.547 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.447 14.243 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.822 14.147 5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.538 12.392 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.867 13.099 3.947 1.00 0.00 H new ATOM 732 N LYS A 54 -5.070 10.396 -1.060 1.00 0.00 N ATOM 733 CA LYS A 54 -4.881 8.959 -1.163 1.00 0.00 C ATOM 734 C LYS A 54 -5.571 8.394 -2.414 1.00 0.00 C ATOM 735 O LYS A 54 -5.140 7.367 -2.928 1.00 0.00 O ATOM 736 CB LYS A 54 -5.445 8.275 0.097 1.00 0.00 C ATOM 737 CG LYS A 54 -5.194 9.005 1.429 1.00 0.00 C ATOM 738 CD LYS A 54 -3.738 9.008 1.917 1.00 0.00 C ATOM 739 CE LYS A 54 -3.715 9.717 3.283 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.361 10.111 3.709 1.00 0.00 N ATOM 0 H LYS A 54 -5.883 10.655 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.813 8.759 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.521 8.152 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.016 7.275 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.526 10.038 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.816 8.546 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.360 7.989 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.095 9.525 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.347 10.604 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.148 9.057 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.428 10.807 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.845 9.273 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.853 10.532 2.905 1.00 0.00 H new ATOM 754 N ALA A 55 -6.638 9.054 -2.894 1.00 0.00 N ATOM 755 CA ALA A 55 -7.520 8.630 -3.986 1.00 0.00 C ATOM 756 C ALA A 55 -6.898 7.706 -5.039 1.00 0.00 C ATOM 757 O ALA A 55 -7.438 6.633 -5.309 1.00 0.00 O ATOM 758 CB ALA A 55 -8.146 9.855 -4.657 1.00 0.00 C ATOM 0 H ALA A 55 -6.922 9.952 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.278 8.013 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.800 9.532 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.726 10.415 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.358 10.492 -5.059 1.00 0.00 H new ATOM 764 N MET A 56 -5.790 8.130 -5.650 1.00 0.00 N ATOM 765 CA MET A 56 -5.093 7.363 -6.676 1.00 0.00 C ATOM 766 C MET A 56 -4.790 5.954 -6.155 1.00 0.00 C ATOM 767 O MET A 56 -5.174 4.947 -6.753 1.00 0.00 O ATOM 768 CB MET A 56 -3.790 8.074 -7.085 1.00 0.00 C ATOM 769 CG MET A 56 -3.991 9.439 -7.766 1.00 0.00 C ATOM 770 SD MET A 56 -4.427 10.865 -6.727 1.00 0.00 S ATOM 771 CE MET A 56 -2.969 10.978 -5.665 1.00 0.00 C ATOM 0 H MET A 56 -5.349 9.026 -5.442 1.00 0.00 H new ATOM 0 HA MET A 56 -5.733 7.286 -7.555 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.173 8.213 -6.197 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.234 7.424 -7.761 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.071 9.684 -8.298 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.772 9.324 -8.517 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.968 11.938 -5.149 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.990 10.172 -4.932 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.068 10.892 -6.273 1.00 0.00 H new ATOM 781 N MET A 57 -4.108 5.902 -5.010 1.00 0.00 N ATOM 782 CA MET A 57 -3.759 4.667 -4.343 1.00 0.00 C ATOM 783 C MET A 57 -5.039 3.932 -3.971 1.00 0.00 C ATOM 784 O MET A 57 -5.149 2.746 -4.265 1.00 0.00 O ATOM 785 CB MET A 57 -2.905 4.979 -3.113 1.00 0.00 C ATOM 786 CG MET A 57 -2.703 3.760 -2.208 1.00 0.00 C ATOM 787 SD MET A 57 -1.656 4.106 -0.784 1.00 0.00 S ATOM 788 CE MET A 57 -2.426 5.574 -0.067 1.00 0.00 C ATOM 0 H MET A 57 -3.782 6.735 -4.520 1.00 0.00 H new ATOM 0 HA MET A 57 -3.173 4.024 -5.000 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.933 5.352 -3.436 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.378 5.777 -2.540 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.674 3.407 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.260 2.952 -2.790 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.008 5.757 0.923 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.234 6.435 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.501 5.417 0.016 1.00 0.00 H new ATOM 798 N THR A 58 -5.990 4.623 -3.330 1.00 0.00 N ATOM 799 CA THR A 58 -7.261 4.048 -2.915 1.00 0.00 C ATOM 800 C THR A 58 -7.868 3.224 -4.055 1.00 0.00 C ATOM 801 O THR A 58 -8.132 2.032 -3.898 1.00 0.00 O ATOM 802 CB THR A 58 -8.196 5.179 -2.452 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.458 6.113 -1.689 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.347 4.672 -1.586 1.00 0.00 C ATOM 0 H THR A 58 -5.890 5.608 -3.085 1.00 0.00 H new ATOM 0 HA THR A 58 -7.111 3.367 -2.077 1.00 0.00 H new ATOM 0 HB THR A 58 -8.615 5.632 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.051 6.836 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.975 5.511 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.943 3.957 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.946 4.185 -0.697 1.00 0.00 H new ATOM 812 N ASN A 59 -8.048 3.848 -5.223 1.00 0.00 N ATOM 813 CA ASN A 59 -8.612 3.158 -6.371 1.00 0.00 C ATOM 814 C ASN A 59 -7.690 2.029 -6.823 1.00 0.00 C ATOM 815 O ASN A 59 -8.184 0.959 -7.167 1.00 0.00 O ATOM 816 CB ASN A 59 -8.886 4.129 -7.523 1.00 0.00 C ATOM 817 CG ASN A 59 -9.885 3.595 -8.558 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.531 4.388 -9.234 1.00 0.00 O ATOM 819 ND2 ASN A 59 -10.070 2.282 -8.713 1.00 0.00 N ATOM 0 H ASN A 59 -7.810 4.826 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.565 2.725 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.266 5.065 -7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.946 4.358 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.748 1.939 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.533 1.621 -8.151 1.00 0.00 H new ATOM 826 N ALA A 60 -6.373 2.252 -6.853 1.00 0.00 N ATOM 827 CA ALA A 60 -5.437 1.219 -7.277 1.00 0.00 C ATOM 828 C ALA A 60 -5.598 -0.042 -6.422 1.00 0.00 C ATOM 829 O ALA A 60 -5.926 -1.107 -6.944 1.00 0.00 O ATOM 830 CB ALA A 60 -4.001 1.751 -7.254 1.00 0.00 C ATOM 0 H ALA A 60 -5.937 3.136 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.663 0.941 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.317 0.965 -7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.917 2.602 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.745 2.065 -6.242 1.00 0.00 H new ATOM 836 N VAL A 61 -5.406 0.068 -5.104 1.00 0.00 N ATOM 837 CA VAL A 61 -5.526 -1.093 -4.232 1.00 0.00 C ATOM 838 C VAL A 61 -6.945 -1.670 -4.252 1.00 0.00 C ATOM 839 O VAL A 61 -7.100 -2.880 -4.101 1.00 0.00 O ATOM 840 CB VAL A 61 -5.018 -0.818 -2.808 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.506 -0.564 -2.800 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.724 0.338 -2.101 1.00 0.00 C ATOM 0 H VAL A 61 -5.170 0.938 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.867 -1.862 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.254 -1.724 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.175 -0.372 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.988 -1.440 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.279 0.301 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.305 0.464 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.582 1.255 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.789 0.121 -2.023 1.00 0.00 H new ATOM 852 N LYS A 62 -7.979 -0.849 -4.479 1.00 0.00 N ATOM 853 CA LYS A 62 -9.349 -1.341 -4.582 1.00 0.00 C ATOM 854 C LYS A 62 -9.470 -2.414 -5.673 1.00 0.00 C ATOM 855 O LYS A 62 -10.366 -3.251 -5.603 1.00 0.00 O ATOM 856 CB LYS A 62 -10.304 -0.156 -4.805 1.00 0.00 C ATOM 857 CG LYS A 62 -11.784 -0.550 -4.891 1.00 0.00 C ATOM 858 CD LYS A 62 -12.694 0.665 -5.137 1.00 0.00 C ATOM 859 CE LYS A 62 -12.654 1.729 -4.029 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.025 1.176 -2.715 1.00 0.00 N ATOM 0 H LYS A 62 -7.887 0.160 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.633 -1.827 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.176 0.558 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.022 0.356 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.920 -1.273 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.081 -1.043 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.409 1.131 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.720 0.316 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.652 2.155 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.333 2.543 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.117 1.950 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.932 0.673 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.289 0.514 -2.396 1.00 0.00 H new ATOM 874 N LYS A 63 -8.586 -2.414 -6.680 1.00 0.00 N ATOM 875 CA LYS A 63 -8.650 -3.415 -7.737 1.00 0.00 C ATOM 876 C LYS A 63 -8.125 -4.786 -7.278 1.00 0.00 C ATOM 877 O LYS A 63 -8.392 -5.793 -7.931 1.00 0.00 O ATOM 878 CB LYS A 63 -7.890 -2.945 -8.985 1.00 0.00 C ATOM 879 CG LYS A 63 -8.231 -1.517 -9.435 1.00 0.00 C ATOM 880 CD LYS A 63 -9.734 -1.196 -9.476 1.00 0.00 C ATOM 881 CE LYS A 63 -10.520 -2.074 -10.460 1.00 0.00 C ATOM 882 NZ LYS A 63 -10.030 -1.926 -11.841 1.00 0.00 N ATOM 0 H LYS A 63 -7.829 -1.738 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.703 -3.537 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.820 -3.005 -8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.102 -3.632 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.741 -0.812 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.812 -1.354 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.152 -1.320 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.867 -0.149 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.442 -3.118 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.576 -1.809 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.659 -2.441 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.017 -0.918 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.068 -2.314 -11.911 1.00 0.00 H new ATOM 896 N ALA A 64 -7.351 -4.836 -6.189 1.00 0.00 N ATOM 897 CA ALA A 64 -6.745 -6.050 -5.666 1.00 0.00 C ATOM 898 C ALA A 64 -7.741 -6.804 -4.778 1.00 0.00 C ATOM 899 O ALA A 64 -8.553 -6.201 -4.080 1.00 0.00 O ATOM 900 CB ALA A 64 -5.475 -5.653 -4.911 1.00 0.00 C ATOM 0 H ALA A 64 -7.127 -4.008 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.477 -6.732 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.998 -6.546 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.788 -5.152 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.733 -4.978 -4.095 1.00 0.00 H new ATOM 906 N SER A 65 -7.684 -8.137 -4.818 1.00 0.00 N ATOM 907 CA SER A 65 -8.548 -9.027 -4.051 1.00 0.00 C ATOM 908 C SER A 65 -7.980 -9.227 -2.643 1.00 0.00 C ATOM 909 O SER A 65 -6.854 -8.823 -2.377 1.00 0.00 O ATOM 910 CB SER A 65 -8.620 -10.359 -4.804 1.00 0.00 C ATOM 911 OG SER A 65 -7.305 -10.839 -5.023 1.00 0.00 O ATOM 0 H SER A 65 -7.015 -8.638 -5.403 1.00 0.00 H new ATOM 0 HA SER A 65 -9.546 -8.602 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.195 -11.085 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.135 -10.226 -5.755 1.00 0.00 H new ATOM 0 HG SER A 65 -7.344 -11.692 -5.503 1.00 0.00 H new ATOM 917 N ASP A 66 -8.720 -9.882 -1.737 1.00 0.00 N ATOM 918 CA ASP A 66 -8.224 -10.129 -0.383 1.00 0.00 C ATOM 919 C ASP A 66 -6.890 -10.881 -0.405 1.00 0.00 C ATOM 920 O ASP A 66 -5.985 -10.559 0.360 1.00 0.00 O ATOM 921 CB ASP A 66 -9.254 -10.881 0.465 1.00 0.00 C ATOM 922 CG ASP A 66 -8.710 -11.139 1.872 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.310 -10.148 2.525 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.688 -12.325 2.264 1.00 0.00 O ATOM 0 H ASP A 66 -9.655 -10.246 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.056 -9.156 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.175 -10.301 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.504 -11.828 -0.013 1.00 0.00 H new ATOM 929 N GLU A 67 -6.765 -11.883 -1.282 1.00 0.00 N ATOM 930 CA GLU A 67 -5.532 -12.647 -1.420 1.00 0.00 C ATOM 931 C GLU A 67 -4.372 -11.699 -1.711 1.00 0.00 C ATOM 932 O GLU A 67 -3.349 -11.703 -1.027 1.00 0.00 O ATOM 933 CB GLU A 67 -5.697 -13.713 -2.516 1.00 0.00 C ATOM 934 CG GLU A 67 -4.474 -14.638 -2.620 1.00 0.00 C ATOM 935 CD GLU A 67 -4.158 -15.358 -1.310 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.121 -15.842 -0.676 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.959 -15.403 -0.960 1.00 0.00 O ATOM 0 H GLU A 67 -7.512 -12.181 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.309 -13.168 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.585 -14.310 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.861 -13.222 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.650 -15.377 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.607 -14.052 -2.925 1.00 0.00 H new ATOM 944 N GLU A 68 -4.566 -10.865 -2.729 1.00 0.00 N ATOM 945 CA GLU A 68 -3.598 -9.871 -3.121 1.00 0.00 C ATOM 946 C GLU A 68 -3.329 -8.914 -1.964 1.00 0.00 C ATOM 947 O GLU A 68 -2.180 -8.551 -1.746 1.00 0.00 O ATOM 948 CB GLU A 68 -4.130 -9.110 -4.332 1.00 0.00 C ATOM 949 CG GLU A 68 -4.206 -9.941 -5.618 1.00 0.00 C ATOM 950 CD GLU A 68 -2.836 -10.221 -6.236 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.824 -9.798 -5.633 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.820 -10.848 -7.316 1.00 0.00 O ATOM 0 H GLU A 68 -5.409 -10.868 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.659 -10.357 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.125 -8.731 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.493 -8.244 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.700 -10.888 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.825 -9.417 -6.346 1.00 0.00 H new ATOM 959 N LEU A 69 -4.362 -8.494 -1.228 1.00 0.00 N ATOM 960 CA LEU A 69 -4.190 -7.575 -0.117 1.00 0.00 C ATOM 961 C LEU A 69 -3.242 -8.180 0.920 1.00 0.00 C ATOM 962 O LEU A 69 -2.240 -7.566 1.297 1.00 0.00 O ATOM 963 CB LEU A 69 -5.534 -7.227 0.555 1.00 0.00 C ATOM 964 CG LEU A 69 -6.575 -6.419 -0.248 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.216 -5.347 0.640 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.097 -5.708 -1.513 1.00 0.00 C ATOM 0 H LEU A 69 -5.327 -8.782 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.765 -6.654 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.004 -8.162 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.314 -6.670 1.466 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.265 -7.196 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.948 -4.785 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.711 -5.824 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.445 -4.669 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.934 -5.182 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.316 -4.993 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.700 -6.442 -2.215 1.00 0.00 H new ATOM 978 N LYS A 70 -3.564 -9.398 1.371 1.00 0.00 N ATOM 979 CA LYS A 70 -2.750 -10.121 2.336 1.00 0.00 C ATOM 980 C LYS A 70 -1.325 -10.224 1.805 1.00 0.00 C ATOM 981 O LYS A 70 -0.364 -9.964 2.527 1.00 0.00 O ATOM 982 CB LYS A 70 -3.340 -11.514 2.599 1.00 0.00 C ATOM 983 CG LYS A 70 -4.672 -11.434 3.355 1.00 0.00 C ATOM 984 CD LYS A 70 -5.264 -12.818 3.659 1.00 0.00 C ATOM 985 CE LYS A 70 -5.581 -13.601 2.379 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.381 -14.804 2.662 1.00 0.00 N ATOM 0 H LYS A 70 -4.398 -9.904 1.073 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.740 -9.582 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.490 -12.030 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.630 -12.107 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.523 -10.894 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.386 -10.859 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.561 -13.387 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.174 -12.702 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.122 -12.959 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.651 -13.889 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.576 -15.308 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.854 -15.428 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.279 -14.527 3.107 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.191 -10.579 0.528 1.00 0.00 N ATOM 1001 CA ALA A 71 0.111 -10.689 -0.092 1.00 0.00 C ATOM 1002 C ALA A 71 0.837 -9.348 -0.160 1.00 0.00 C ATOM 1003 O ALA A 71 2.054 -9.328 0.018 1.00 0.00 O ATOM 1004 CB ALA A 71 -0.026 -11.337 -1.470 1.00 0.00 C ATOM 0 H ALA A 71 -1.973 -10.794 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 71 0.732 -11.330 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.957 -11.418 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.460 -12.331 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.673 -10.724 -2.097 1.00 0.00 H new ATOM 1010 N LEU A 72 0.139 -8.229 -0.398 1.00 0.00 N ATOM 1011 CA LEU A 72 0.788 -6.936 -0.468 1.00 0.00 C ATOM 1012 C LEU A 72 1.397 -6.668 0.901 1.00 0.00 C ATOM 1013 O LEU A 72 2.579 -6.354 1.012 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.243 -5.858 -0.850 1.00 0.00 C ATOM 1015 CG LEU A 72 0.217 -4.755 -1.825 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.697 -4.751 -2.217 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.602 -4.863 -3.112 1.00 0.00 C ATOM 0 H LEU A 72 -0.870 -8.205 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 72 1.568 -6.918 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.107 -6.357 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.584 -5.377 0.067 1.00 0.00 H new ATOM 0 HG LEU A 72 0.060 -3.828 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.889 -3.928 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.310 -4.628 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.948 -5.695 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.286 -4.088 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.445 -5.843 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.660 -4.735 -2.882 1.00 0.00 H new ATOM 1029 N ALA A 73 0.569 -6.814 1.940 1.00 0.00 N ATOM 1030 CA ALA A 73 0.986 -6.633 3.316 1.00 0.00 C ATOM 1031 C ALA A 73 2.192 -7.508 3.643 1.00 0.00 C ATOM 1032 O ALA A 73 3.206 -7.003 4.122 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.185 -6.949 4.238 1.00 0.00 C ATOM 0 H ALA A 73 -0.415 -7.063 1.839 1.00 0.00 H new ATOM 0 HA ALA A 73 1.290 -5.597 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.122 -6.815 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.015 -6.278 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.501 -7.981 4.084 1.00 0.00 H new ATOM 1039 N ASP A 74 2.081 -8.816 3.385 1.00 0.00 N ATOM 1040 CA ASP A 74 3.164 -9.749 3.641 1.00 0.00 C ATOM 1041 C ASP A 74 4.439 -9.270 2.952 1.00 0.00 C ATOM 1042 O ASP A 74 5.455 -9.092 3.616 1.00 0.00 O ATOM 1043 CB ASP A 74 2.789 -11.158 3.172 1.00 0.00 C ATOM 1044 CG ASP A 74 3.960 -12.115 3.369 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.158 -12.546 4.526 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.654 -12.382 2.364 1.00 0.00 O ATOM 0 H ASP A 74 1.242 -9.247 2.996 1.00 0.00 H new ATOM 0 HA ASP A 74 3.343 -9.791 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.922 -11.515 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.504 -11.134 2.120 1.00 0.00 H new ATOM 1051 N TYR A 75 4.372 -9.043 1.637 1.00 0.00 N ATOM 1052 CA TYR A 75 5.506 -8.603 0.839 1.00 0.00 C ATOM 1053 C TYR A 75 6.145 -7.352 1.444 1.00 0.00 C ATOM 1054 O TYR A 75 7.327 -7.353 1.788 1.00 0.00 O ATOM 1055 CB TYR A 75 5.053 -8.369 -0.609 1.00 0.00 C ATOM 1056 CG TYR A 75 6.187 -8.058 -1.565 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.649 -6.737 -1.716 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.834 -9.106 -2.244 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.771 -6.473 -2.521 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.931 -8.834 -3.079 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.403 -7.520 -3.212 1.00 0.00 C ATOM 1062 OH TYR A 75 9.475 -7.266 -4.014 1.00 0.00 O ATOM 0 H TYR A 75 3.516 -9.163 1.096 1.00 0.00 H new ATOM 0 HA TYR A 75 6.270 -9.380 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.526 -9.255 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.339 -7.545 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.142 -5.927 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.487 -10.122 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.147 -5.464 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.411 -9.637 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 75 9.790 -8.103 -4.414 1.00 0.00 H new ATOM 1072 N MET A 76 5.363 -6.279 1.590 1.00 0.00 N ATOM 1073 CA MET A 76 5.821 -5.027 2.126 1.00 0.00 C ATOM 1074 C MET A 76 6.439 -5.214 3.514 1.00 0.00 C ATOM 1075 O MET A 76 7.443 -4.582 3.826 1.00 0.00 O ATOM 1076 CB MET A 76 4.626 -4.076 2.113 1.00 0.00 C ATOM 1077 CG MET A 76 4.362 -3.520 0.707 1.00 0.00 C ATOM 1078 SD MET A 76 3.087 -2.235 0.569 1.00 0.00 S ATOM 1079 CE MET A 76 1.626 -3.103 1.175 1.00 0.00 C ATOM 0 H MET A 76 4.377 -6.272 1.329 1.00 0.00 H new ATOM 0 HA MET A 76 6.622 -4.601 1.523 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.739 -4.600 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.809 -3.252 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.297 -3.116 0.319 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.081 -4.350 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.760 -2.445 1.113 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.452 -3.991 0.567 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.783 -3.399 2.212 1.00 0.00 H new ATOM 1089 N SER A 77 5.890 -6.114 4.333 1.00 0.00 N ATOM 1090 CA SER A 77 6.424 -6.373 5.663 1.00 0.00 C ATOM 1091 C SER A 77 7.845 -6.950 5.662 1.00 0.00 C ATOM 1092 O SER A 77 8.389 -7.126 6.751 1.00 0.00 O ATOM 1093 CB SER A 77 5.485 -7.288 6.450 1.00 0.00 C ATOM 1094 OG SER A 77 5.796 -7.225 7.832 1.00 0.00 O ATOM 0 H SER A 77 5.073 -6.675 4.093 1.00 0.00 H new ATOM 0 HA SER A 77 6.490 -5.400 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.450 -6.988 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.579 -8.314 6.093 1.00 0.00 H new ATOM 0 HG SER A 77 6.768 -7.172 7.947 1.00 0.00 H new ATOM 1100 N LYS A 78 8.416 -7.305 4.503 1.00 0.00 N ATOM 1101 CA LYS A 78 9.778 -7.821 4.415 1.00 0.00 C ATOM 1102 C LYS A 78 10.761 -6.737 3.956 1.00 0.00 C ATOM 1103 O LYS A 78 11.956 -7.017 3.876 1.00 0.00 O ATOM 1104 CB LYS A 78 9.836 -9.017 3.449 1.00 0.00 C ATOM 1105 CG LYS A 78 8.727 -10.059 3.645 1.00 0.00 C ATOM 1106 CD LYS A 78 8.708 -10.680 5.050 1.00 0.00 C ATOM 1107 CE LYS A 78 7.432 -11.499 5.283 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.251 -12.562 4.278 1.00 0.00 N ATOM 0 H LYS A 78 7.942 -7.240 3.602 1.00 0.00 H new ATOM 0 HA LYS A 78 10.071 -8.147 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.786 -8.643 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.802 -9.510 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.762 -9.591 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.851 -10.852 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.581 -11.320 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.778 -9.891 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.467 -11.945 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.569 -10.834 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.830 -13.399 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.621 -12.222 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.174 -12.816 3.871 1.00 0.00 H new ATOM 1122 N LEU A 79 10.284 -5.539 3.605 1.00 0.00 N ATOM 1123 CA LEU A 79 11.075 -4.463 3.105 1.00 0.00 C ATOM 1124 C LEU A 79 11.616 -3.590 4.239 1.00 0.00 C ATOM 1125 O LEU A 79 11.002 -3.603 5.327 1.00 0.00 O ATOM 1126 CB LEU A 79 10.105 -3.681 2.238 1.00 0.00 C ATOM 1127 CG LEU A 79 9.649 -4.423 0.969 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.728 -3.523 0.134 1.00 0.00 C ATOM 1129 CD2 LEU A 79 10.806 -4.909 0.087 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.613 -2.879 3.985 1.00 0.00 O ATOM 0 H LEU A 79 9.293 -5.305 3.673 1.00 0.00 H new ATOM 0 HA LEU A 79 11.953 -4.809 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.227 -3.429 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.573 -2.741 1.946 1.00 0.00 H new ATOM 0 HG LEU A 79 9.118 -5.309 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.411 -4.058 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.852 -3.252 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.266 -2.620 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.406 -5.422 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.402 -4.055 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.433 -5.596 0.655 1.00 0.00 H new