USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 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 28 THR OG1 : rot 121:sc= -1.64! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -2 LEU N :NH3+ -149:sc= -0.162 (180deg=-1.26!) USER MOD Single : A 10 SER OG : rot 96:sc= 0.267 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 120:sc= -0.986 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 SER OG : rot -54:sc= 0.469 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 11:sc= 0.263! USER MOD Single : A 46 THR OG1 : rot 170:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.269 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 96:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= -0.806 (180deg=-0.824) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A -2 54.798 15.229 19.139 1.00 15.00 N ATOM 2 CA LEU A -2 53.328 15.506 19.075 1.00 15.00 C ATOM 3 C LEU A -2 52.568 14.552 20.000 1.00 15.00 C ATOM 4 O LEU A -2 51.845 14.979 20.883 1.00 15.00 O ATOM 5 CB LEU A -2 52.936 15.264 17.616 1.00 15.00 C ATOM 6 CG LEU A -2 53.579 16.330 16.727 1.00 15.00 C ATOM 7 CD1 LEU A -2 53.448 15.921 15.260 1.00 15.00 C ATOM 8 CD2 LEU A -2 52.872 17.670 16.946 1.00 15.00 C ATOM 0 H1 LEU A -2 55.325 16.111 18.978 1.00 15.00 H new ATOM 0 H2 LEU A -2 55.039 14.848 20.076 1.00 15.00 H new ATOM 0 H3 LEU A -2 55.053 14.535 18.407 1.00 15.00 H new ATOM 0 HA LEU A -2 53.088 16.519 19.397 1.00 15.00 H new ATOM 0 HB2 LEU A -2 53.259 14.271 17.302 1.00 15.00 H new ATOM 0 HB3 LEU A -2 51.852 15.294 17.511 1.00 15.00 H new ATOM 0 HG LEU A -2 54.634 16.427 16.984 1.00 15.00 H new ATOM 0 HD11 LEU A -2 53.907 16.681 14.628 1.00 15.00 H new ATOM 0 HD12 LEU A -2 53.950 14.967 15.102 1.00 15.00 H new ATOM 0 HD13 LEU A -2 52.393 15.823 15.002 1.00 15.00 H new ATOM 0 HD21 LEU A -2 53.329 18.430 16.313 1.00 15.00 H new ATOM 0 HD22 LEU A -2 51.817 17.571 16.690 1.00 15.00 H new ATOM 0 HD23 LEU A -2 52.965 17.964 17.991 1.00 15.00 H new ATOM 20 N GLU A -1 52.727 13.266 19.803 1.00 15.00 N ATOM 21 CA GLU A -1 52.013 12.274 20.663 1.00 15.00 C ATOM 22 C GLU A -1 52.906 11.055 20.919 1.00 15.00 C ATOM 23 O GLU A -1 53.264 10.767 22.047 1.00 15.00 O ATOM 24 CB GLU A -1 50.775 11.869 19.860 1.00 15.00 C ATOM 25 CG GLU A -1 49.814 13.057 19.769 1.00 15.00 C ATOM 26 CD GLU A -1 48.502 12.606 19.124 1.00 15.00 C ATOM 27 OE1 GLU A -1 48.004 13.329 18.276 1.00 15.00 O ATOM 28 OE2 GLU A -1 48.015 11.549 19.490 1.00 15.00 O ATOM 0 H GLU A -1 53.323 12.860 19.081 1.00 15.00 H new ATOM 0 HA GLU A -1 51.751 12.688 21.637 1.00 15.00 H new ATOM 0 HB2 GLU A -1 51.066 11.546 18.861 1.00 15.00 H new ATOM 0 HB3 GLU A -1 50.280 11.023 20.337 1.00 15.00 H new ATOM 0 HG2 GLU A -1 49.623 13.460 20.763 1.00 15.00 H new ATOM 0 HG3 GLU A -1 50.264 13.858 19.182 1.00 15.00 H new ATOM 35 N ASP A 0 53.265 10.342 19.880 1.00 15.00 N ATOM 36 CA ASP A 0 54.122 9.129 20.050 1.00 15.00 C ATOM 37 C ASP A 0 55.562 9.428 19.596 1.00 15.00 C ATOM 38 O ASP A 0 55.764 10.246 18.718 1.00 15.00 O ATOM 39 CB ASP A 0 53.487 8.067 19.154 1.00 15.00 C ATOM 40 CG ASP A 0 52.132 7.652 19.731 1.00 15.00 C ATOM 41 OD1 ASP A 0 51.137 7.847 19.053 1.00 15.00 O ATOM 42 OD2 ASP A 0 52.114 7.149 20.843 1.00 15.00 O ATOM 0 H ASP A 0 53.000 10.549 18.917 1.00 15.00 H new ATOM 0 HA ASP A 0 54.178 8.805 21.089 1.00 15.00 H new ATOM 0 HB2 ASP A 0 53.359 8.458 18.144 1.00 15.00 H new ATOM 0 HB3 ASP A 0 54.143 7.200 19.080 1.00 15.00 H new ATOM 47 N PRO A 1 56.523 8.758 20.206 1.00 15.00 N ATOM 48 CA PRO A 1 57.950 8.982 19.844 1.00 15.00 C ATOM 49 C PRO A 1 58.222 8.516 18.408 1.00 15.00 C ATOM 50 O PRO A 1 59.051 9.076 17.714 1.00 15.00 O ATOM 51 CB PRO A 1 58.730 8.132 20.851 1.00 15.00 C ATOM 52 CG PRO A 1 57.751 7.125 21.363 1.00 15.00 C ATOM 53 CD PRO A 1 56.384 7.745 21.267 1.00 15.00 C ATOM 0 HA PRO A 1 58.233 10.034 19.881 1.00 15.00 H new ATOM 0 HB2 PRO A 1 59.583 7.645 20.377 1.00 15.00 H new ATOM 0 HB3 PRO A 1 59.123 8.745 21.662 1.00 15.00 H new ATOM 0 HG2 PRO A 1 57.800 6.208 20.776 1.00 15.00 H new ATOM 0 HG3 PRO A 1 57.980 6.856 22.394 1.00 15.00 H new ATOM 0 HD2 PRO A 1 55.627 7.003 21.013 1.00 15.00 H new ATOM 0 HD3 PRO A 1 56.084 8.197 22.213 1.00 15.00 H new ATOM 61 N SER A 2 57.529 7.495 17.962 1.00 15.00 N ATOM 62 CA SER A 2 57.749 6.974 16.572 1.00 15.00 C ATOM 63 C SER A 2 57.318 8.018 15.537 1.00 15.00 C ATOM 64 O SER A 2 57.915 8.141 14.484 1.00 15.00 O ATOM 65 CB SER A 2 56.876 5.722 16.462 1.00 15.00 C ATOM 66 OG SER A 2 57.202 4.829 17.519 1.00 15.00 O ATOM 0 H SER A 2 56.819 6.998 18.500 1.00 15.00 H new ATOM 0 HA SER A 2 58.800 6.753 16.384 1.00 15.00 H new ATOM 0 HB2 SER A 2 55.822 5.994 16.512 1.00 15.00 H new ATOM 0 HB3 SER A 2 57.035 5.237 15.499 1.00 15.00 H new ATOM 0 HG SER A 2 56.644 4.026 17.453 1.00 15.00 H new ATOM 72 N GLY A 3 56.283 8.769 15.832 1.00 15.00 N ATOM 73 CA GLY A 3 55.807 9.816 14.878 1.00 15.00 C ATOM 74 C GLY A 3 56.839 10.944 14.791 1.00 15.00 C ATOM 75 O GLY A 3 57.045 11.526 13.743 1.00 15.00 O ATOM 0 H GLY A 3 55.747 8.700 16.697 1.00 15.00 H new ATOM 0 HA2 GLY A 3 55.649 9.378 13.892 1.00 15.00 H new ATOM 0 HA3 GLY A 3 54.847 10.213 15.208 1.00 15.00 H new ATOM 79 N GLY A 4 57.488 11.251 15.889 1.00 15.00 N ATOM 80 CA GLY A 4 58.513 12.339 15.889 1.00 15.00 C ATOM 81 C GLY A 4 59.727 11.911 15.057 1.00 15.00 C ATOM 82 O GLY A 4 60.369 12.727 14.422 1.00 15.00 O ATOM 0 H GLY A 4 57.350 10.791 16.789 1.00 15.00 H new ATOM 0 HA2 GLY A 4 58.085 13.254 15.480 1.00 15.00 H new ATOM 0 HA3 GLY A 4 58.821 12.560 16.911 1.00 15.00 H new ATOM 86 N THR A 5 60.044 10.637 15.058 1.00 15.00 N ATOM 87 CA THR A 5 61.232 10.152 14.285 1.00 15.00 C ATOM 88 C THR A 5 60.972 10.288 12.772 1.00 15.00 C ATOM 89 O THR A 5 59.902 9.939 12.310 1.00 15.00 O ATOM 90 CB THR A 5 61.391 8.676 14.666 1.00 15.00 C ATOM 91 OG1 THR A 5 61.333 8.545 16.079 1.00 15.00 O ATOM 92 CG2 THR A 5 62.736 8.157 14.157 1.00 15.00 C ATOM 0 H THR A 5 59.531 9.913 15.561 1.00 15.00 H new ATOM 0 HA THR A 5 62.129 10.728 14.512 1.00 15.00 H new ATOM 0 HB THR A 5 60.587 8.095 14.214 1.00 15.00 H new ATOM 0 HG1 THR A 5 61.433 7.601 16.324 1.00 15.00 H new ATOM 0 HG21 THR A 5 62.847 7.107 14.429 1.00 15.00 H new ATOM 0 HG22 THR A 5 62.778 8.257 13.072 1.00 15.00 H new ATOM 0 HG23 THR A 5 63.543 8.736 14.606 1.00 15.00 H new ATOM 100 N PRO A 6 61.953 10.792 12.035 1.00 15.00 N ATOM 101 CA PRO A 6 61.797 10.929 10.558 1.00 15.00 C ATOM 102 C PRO A 6 61.628 9.552 9.901 1.00 15.00 C ATOM 103 O PRO A 6 62.155 8.562 10.376 1.00 15.00 O ATOM 104 CB PRO A 6 63.099 11.594 10.095 1.00 15.00 C ATOM 105 CG PRO A 6 63.757 12.111 11.336 1.00 15.00 C ATOM 106 CD PRO A 6 63.268 11.275 12.484 1.00 15.00 C ATOM 0 HA PRO A 6 60.915 11.509 10.286 1.00 15.00 H new ATOM 0 HB2 PRO A 6 63.741 10.879 9.581 1.00 15.00 H new ATOM 0 HB3 PRO A 6 62.897 12.403 9.394 1.00 15.00 H new ATOM 0 HG2 PRO A 6 64.842 12.048 11.250 1.00 15.00 H new ATOM 0 HG3 PRO A 6 63.510 13.161 11.493 1.00 15.00 H new ATOM 0 HD2 PRO A 6 63.947 10.448 12.694 1.00 15.00 H new ATOM 0 HD3 PRO A 6 63.187 11.861 13.399 1.00 15.00 H new ATOM 114 N TYR A 7 60.897 9.489 8.814 1.00 15.00 N ATOM 115 CA TYR A 7 60.725 8.187 8.085 1.00 15.00 C ATOM 116 C TYR A 7 62.068 7.713 7.514 1.00 15.00 C ATOM 117 O TYR A 7 62.305 6.527 7.366 1.00 15.00 O ATOM 118 CB TYR A 7 59.737 8.481 6.953 1.00 15.00 C ATOM 119 CG TYR A 7 58.381 8.935 7.439 1.00 15.00 C ATOM 120 CD1 TYR A 7 57.424 7.982 7.862 1.00 15.00 C ATOM 121 CD2 TYR A 7 58.068 10.316 7.473 1.00 15.00 C ATOM 122 CE1 TYR A 7 56.153 8.408 8.319 1.00 15.00 C ATOM 123 CE2 TYR A 7 56.796 10.743 7.929 1.00 15.00 C ATOM 124 CZ TYR A 7 55.839 9.788 8.353 1.00 15.00 C ATOM 125 OH TYR A 7 54.601 10.204 8.797 1.00 15.00 O ATOM 0 H TYR A 7 60.410 10.283 8.398 1.00 15.00 H new ATOM 0 HA TYR A 7 60.363 7.398 8.744 1.00 15.00 H new ATOM 0 HB2 TYR A 7 60.158 9.250 6.305 1.00 15.00 H new ATOM 0 HB3 TYR A 7 59.615 7.584 6.346 1.00 15.00 H new ATOM 0 HD1 TYR A 7 57.663 6.929 7.836 1.00 15.00 H new ATOM 0 HD2 TYR A 7 58.799 11.043 7.151 1.00 15.00 H new ATOM 0 HE1 TYR A 7 55.423 7.680 8.642 1.00 15.00 H new ATOM 0 HE2 TYR A 7 56.556 11.796 7.953 1.00 15.00 H new ATOM 0 HH TYR A 7 54.551 11.182 8.757 1.00 15.00 H new ATOM 135 N ILE A 8 62.951 8.632 7.194 1.00 15.00 N ATOM 136 CA ILE A 8 64.294 8.234 6.654 1.00 15.00 C ATOM 137 C ILE A 8 65.060 7.430 7.717 1.00 15.00 C ATOM 138 O ILE A 8 65.051 7.767 8.887 1.00 15.00 O ATOM 139 CB ILE A 8 65.017 9.554 6.325 1.00 15.00 C ATOM 140 CG1 ILE A 8 64.235 10.316 5.248 1.00 15.00 C ATOM 141 CG2 ILE A 8 66.427 9.262 5.800 1.00 15.00 C ATOM 142 CD1 ILE A 8 64.749 11.755 5.166 1.00 15.00 C ATOM 0 H ILE A 8 62.801 9.637 7.283 1.00 15.00 H new ATOM 0 HA ILE A 8 64.217 7.602 5.770 1.00 15.00 H new ATOM 0 HB ILE A 8 65.082 10.155 7.232 1.00 15.00 H new ATOM 0 HG12 ILE A 8 64.349 9.822 4.283 1.00 15.00 H new ATOM 0 HG13 ILE A 8 63.171 10.312 5.484 1.00 15.00 H new ATOM 0 HG21 ILE A 8 66.931 10.201 5.570 1.00 15.00 H new ATOM 0 HG22 ILE A 8 66.993 8.722 6.559 1.00 15.00 H new ATOM 0 HG23 ILE A 8 66.361 8.655 4.897 1.00 15.00 H new ATOM 0 HD11 ILE A 8 64.193 12.297 4.401 1.00 15.00 H new ATOM 0 HD12 ILE A 8 64.612 12.246 6.130 1.00 15.00 H new ATOM 0 HD13 ILE A 8 65.808 11.749 4.909 1.00 15.00 H new ATOM 154 N GLY A 9 65.716 6.372 7.310 1.00 15.00 N ATOM 155 CA GLY A 9 66.378 5.460 8.291 1.00 15.00 C ATOM 156 C GLY A 9 65.496 4.227 8.574 1.00 15.00 C ATOM 157 O GLY A 9 65.888 3.349 9.321 1.00 15.00 O ATOM 0 H GLY A 9 65.822 6.100 6.333 1.00 15.00 H new ATOM 0 HA2 GLY A 9 67.344 5.140 7.902 1.00 15.00 H new ATOM 0 HA3 GLY A 9 66.570 5.996 9.220 1.00 15.00 H new ATOM 161 N SER A 10 64.315 4.150 7.993 1.00 15.00 N ATOM 162 CA SER A 10 63.480 2.915 8.144 1.00 15.00 C ATOM 163 C SER A 10 63.709 1.971 6.959 1.00 15.00 C ATOM 164 O SER A 10 64.173 2.382 5.913 1.00 15.00 O ATOM 165 CB SER A 10 62.035 3.412 8.161 1.00 15.00 C ATOM 166 OG SER A 10 61.849 4.278 9.273 1.00 15.00 O ATOM 0 H SER A 10 63.898 4.887 7.424 1.00 15.00 H new ATOM 0 HA SER A 10 63.730 2.357 9.047 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.808 3.938 7.234 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.349 2.568 8.224 1.00 15.00 H new ATOM 0 HG SER A 10 61.958 5.208 8.985 1.00 15.00 H new ATOM 172 N LYS A 11 63.385 0.711 7.119 1.00 15.00 N ATOM 173 CA LYS A 11 63.611 -0.281 6.018 1.00 15.00 C ATOM 174 C LYS A 11 62.359 -0.396 5.142 1.00 15.00 C ATOM 175 O LYS A 11 61.249 -0.447 5.638 1.00 15.00 O ATOM 176 CB LYS A 11 63.892 -1.607 6.729 1.00 15.00 C ATOM 177 CG LYS A 11 64.360 -2.648 5.709 1.00 15.00 C ATOM 178 CD LYS A 11 64.323 -4.039 6.344 1.00 15.00 C ATOM 179 CE LYS A 11 65.467 -4.171 7.353 1.00 15.00 C ATOM 180 NZ LYS A 11 65.065 -5.296 8.243 1.00 15.00 N ATOM 0 H LYS A 11 62.972 0.324 7.968 1.00 15.00 H new ATOM 0 HA LYS A 11 64.431 0.011 5.362 1.00 15.00 H new ATOM 0 HB2 LYS A 11 64.654 -1.466 7.495 1.00 15.00 H new ATOM 0 HB3 LYS A 11 62.992 -1.958 7.235 1.00 15.00 H new ATOM 0 HG2 LYS A 11 63.719 -2.622 4.827 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.371 -2.416 5.375 1.00 15.00 H new ATOM 0 HD2 LYS A 11 63.366 -4.198 6.841 1.00 15.00 H new ATOM 0 HD3 LYS A 11 64.414 -4.805 5.573 1.00 15.00 H new ATOM 0 HE2 LYS A 11 66.412 -4.381 6.853 1.00 15.00 H new ATOM 0 HE3 LYS A 11 65.603 -3.249 7.918 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 65.800 -5.449 8.963 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 64.165 -5.065 8.710 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 64.949 -6.161 7.678 1.00 15.00 H new ATOM 194 N ILE A 12 62.535 -0.438 3.841 1.00 15.00 N ATOM 195 CA ILE A 12 61.358 -0.516 2.920 1.00 15.00 C ATOM 196 C ILE A 12 61.587 -1.612 1.873 1.00 15.00 C ATOM 197 O ILE A 12 62.703 -1.854 1.445 1.00 15.00 O ATOM 198 CB ILE A 12 61.262 0.867 2.252 1.00 15.00 C ATOM 199 CG1 ILE A 12 61.045 1.947 3.322 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.082 0.889 1.271 1.00 15.00 C ATOM 201 CD1 ILE A 12 61.160 3.336 2.688 1.00 15.00 C ATOM 0 H ILE A 12 63.444 -0.422 3.379 1.00 15.00 H new ATOM 0 HA ILE A 12 60.438 -0.765 3.449 1.00 15.00 H new ATOM 0 HB ILE A 12 62.189 1.065 1.714 1.00 15.00 H new ATOM 0 HG12 ILE A 12 60.063 1.826 3.780 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.783 1.838 4.117 1.00 15.00 H new ATOM 0 HG21 ILE A 12 60.018 1.870 0.801 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.232 0.128 0.505 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.157 0.684 1.810 1.00 15.00 H new ATOM 0 HD11 ILE A 12 61.005 4.098 3.451 1.00 15.00 H new ATOM 0 HD12 ILE A 12 62.152 3.456 2.251 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.405 3.444 1.909 1.00 15.00 H new ATOM 213 N SER A 13 60.531 -2.272 1.465 1.00 15.00 N ATOM 214 CA SER A 13 60.630 -3.265 0.356 1.00 15.00 C ATOM 215 C SER A 13 59.825 -2.766 -0.846 1.00 15.00 C ATOM 216 O SER A 13 58.665 -2.419 -0.723 1.00 15.00 O ATOM 217 CB SER A 13 60.022 -4.550 0.917 1.00 15.00 C ATOM 218 OG SER A 13 60.187 -5.598 -0.028 1.00 15.00 O ATOM 0 H SER A 13 59.596 -2.162 1.858 1.00 15.00 H new ATOM 0 HA SER A 13 61.655 -3.421 0.020 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.505 -4.814 1.858 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.964 -4.402 1.132 1.00 15.00 H new ATOM 0 HG SER A 13 60.716 -6.319 0.372 1.00 15.00 H new ATOM 224 N LEU A 14 60.434 -2.729 -2.004 1.00 15.00 N ATOM 225 CA LEU A 14 59.754 -2.154 -3.203 1.00 15.00 C ATOM 226 C LEU A 14 59.647 -3.207 -4.308 1.00 15.00 C ATOM 227 O LEU A 14 60.592 -3.923 -4.584 1.00 15.00 O ATOM 228 CB LEU A 14 60.658 -1.004 -3.645 1.00 15.00 C ATOM 229 CG LEU A 14 59.851 -0.009 -4.476 1.00 15.00 C ATOM 230 CD1 LEU A 14 58.922 0.786 -3.557 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.807 0.952 -5.189 1.00 15.00 C ATOM 0 H LEU A 14 61.379 -3.075 -2.171 1.00 15.00 H new ATOM 0 HA LEU A 14 58.739 -1.821 -2.986 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.082 -0.506 -2.773 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.493 -1.389 -4.230 1.00 15.00 H new ATOM 0 HG LEU A 14 59.258 -0.548 -5.215 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.345 1.497 -4.149 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.243 0.103 -3.047 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.515 1.326 -2.819 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.232 1.663 -5.783 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.399 1.491 -4.450 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.471 0.386 -5.843 1.00 15.00 H new ATOM 243 N ILE A 15 58.505 -3.301 -4.941 1.00 15.00 N ATOM 244 CA ILE A 15 58.340 -4.259 -6.077 1.00 15.00 C ATOM 245 C ILE A 15 58.236 -3.467 -7.385 1.00 15.00 C ATOM 246 O ILE A 15 57.330 -2.671 -7.560 1.00 15.00 O ATOM 247 CB ILE A 15 57.036 -5.021 -5.787 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.158 -5.770 -4.452 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.767 -6.036 -6.904 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.777 -6.259 -4.012 1.00 15.00 C ATOM 0 H ILE A 15 57.675 -2.752 -4.718 1.00 15.00 H new ATOM 0 HA ILE A 15 59.179 -4.948 -6.176 1.00 15.00 H new ATOM 0 HB ILE A 15 56.215 -4.306 -5.735 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.838 -6.615 -4.558 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.582 -5.114 -3.692 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.842 -6.573 -6.693 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.674 -5.513 -7.856 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.593 -6.745 -6.958 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.864 -6.791 -3.064 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.111 -5.405 -3.889 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.371 -6.930 -4.769 1.00 15.00 H new ATOM 262 N SER A 16 59.155 -3.683 -8.294 1.00 15.00 N ATOM 263 CA SER A 16 59.224 -2.832 -9.523 1.00 15.00 C ATOM 264 C SER A 16 58.327 -3.400 -10.629 1.00 15.00 C ATOM 265 O SER A 16 57.778 -4.480 -10.504 1.00 15.00 O ATOM 266 CB SER A 16 60.692 -2.868 -9.954 1.00 15.00 C ATOM 267 OG SER A 16 61.418 -1.888 -9.223 1.00 15.00 O ATOM 0 H SER A 16 59.863 -4.415 -8.237 1.00 15.00 H new ATOM 0 HA SER A 16 58.878 -1.816 -9.331 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.112 -3.858 -9.775 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.774 -2.676 -11.024 1.00 15.00 H new ATOM 0 HG SER A 16 62.359 -1.908 -9.494 1.00 15.00 H new ATOM 273 N LYS A 17 58.181 -2.676 -11.713 1.00 15.00 N ATOM 274 CA LYS A 17 57.289 -3.139 -12.832 1.00 15.00 C ATOM 275 C LYS A 17 57.750 -4.496 -13.401 1.00 15.00 C ATOM 276 O LYS A 17 56.990 -5.180 -14.062 1.00 15.00 O ATOM 277 CB LYS A 17 57.368 -2.039 -13.906 1.00 15.00 C ATOM 278 CG LYS A 17 58.803 -1.903 -14.436 1.00 15.00 C ATOM 279 CD LYS A 17 58.874 -0.739 -15.425 1.00 15.00 C ATOM 280 CE LYS A 17 60.214 -0.777 -16.164 1.00 15.00 C ATOM 281 NZ LYS A 17 60.114 0.295 -17.194 1.00 15.00 N ATOM 0 H LYS A 17 58.642 -1.780 -11.875 1.00 15.00 H new ATOM 0 HA LYS A 17 56.268 -3.293 -12.483 1.00 15.00 H new ATOM 0 HB2 LYS A 17 56.692 -2.276 -14.728 1.00 15.00 H new ATOM 0 HB3 LYS A 17 57.038 -1.089 -13.486 1.00 15.00 H new ATOM 0 HG2 LYS A 17 59.493 -1.734 -13.609 1.00 15.00 H new ATOM 0 HG3 LYS A 17 59.111 -2.828 -14.924 1.00 15.00 H new ATOM 0 HD2 LYS A 17 58.052 -0.803 -16.138 1.00 15.00 H new ATOM 0 HD3 LYS A 17 58.765 0.208 -14.897 1.00 15.00 H new ATOM 0 HE2 LYS A 17 61.046 -0.595 -15.484 1.00 15.00 H new ATOM 0 HE3 LYS A 17 60.385 -1.751 -16.623 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 60.996 0.332 -17.743 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 59.318 0.091 -17.831 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 59.958 1.211 -16.727 1.00 15.00 H new ATOM 295 N ALA A 18 58.981 -4.886 -13.152 1.00 15.00 N ATOM 296 CA ALA A 18 59.486 -6.189 -13.691 1.00 15.00 C ATOM 297 C ALA A 18 59.235 -7.338 -12.700 1.00 15.00 C ATOM 298 O ALA A 18 59.814 -8.400 -12.825 1.00 15.00 O ATOM 299 CB ALA A 18 60.989 -5.979 -13.886 1.00 15.00 C ATOM 0 H ALA A 18 59.656 -4.357 -12.599 1.00 15.00 H new ATOM 0 HA ALA A 18 58.978 -6.463 -14.615 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.436 -6.892 -14.280 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.154 -5.162 -14.588 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.449 -5.734 -12.929 1.00 15.00 H new ATOM 305 N GLU A 19 58.379 -7.137 -11.713 1.00 15.00 N ATOM 306 CA GLU A 19 58.078 -8.210 -10.703 1.00 15.00 C ATOM 307 C GLU A 19 59.365 -8.691 -10.020 1.00 15.00 C ATOM 308 O GLU A 19 59.464 -9.826 -9.592 1.00 15.00 O ATOM 309 CB GLU A 19 57.410 -9.356 -11.477 1.00 15.00 C ATOM 310 CG GLU A 19 56.073 -8.875 -12.049 1.00 15.00 C ATOM 311 CD GLU A 19 55.217 -10.082 -12.443 1.00 15.00 C ATOM 312 OE1 GLU A 19 55.763 -11.012 -13.015 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.029 -10.055 -12.167 1.00 15.00 O ATOM 0 H GLU A 19 57.872 -6.264 -11.566 1.00 15.00 H new ATOM 0 HA GLU A 19 57.426 -7.836 -9.914 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.062 -9.693 -12.283 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.250 -10.209 -10.818 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.547 -8.269 -11.311 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.245 -8.240 -12.918 1.00 15.00 H new ATOM 320 N ILE A 20 60.349 -7.828 -9.922 1.00 15.00 N ATOM 321 CA ILE A 20 61.575 -8.158 -9.133 1.00 15.00 C ATOM 322 C ILE A 20 61.496 -7.448 -7.776 1.00 15.00 C ATOM 323 O ILE A 20 61.018 -6.331 -7.683 1.00 15.00 O ATOM 324 CB ILE A 20 62.755 -7.628 -9.964 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.800 -8.345 -11.318 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.070 -7.886 -9.219 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.672 -7.547 -12.290 1.00 15.00 C ATOM 0 H ILE A 20 60.354 -6.906 -10.357 1.00 15.00 H new ATOM 0 HA ILE A 20 61.683 -9.226 -8.943 1.00 15.00 H new ATOM 0 HB ILE A 20 62.624 -6.557 -10.120 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.201 -9.351 -11.195 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.792 -8.450 -11.719 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.904 -7.509 -9.811 1.00 15.00 H new ATOM 0 HG22 ILE A 20 64.049 -7.376 -8.256 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.194 -8.957 -9.059 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.704 -8.057 -13.253 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.252 -6.550 -12.421 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.682 -7.465 -11.889 1.00 15.00 H new ATOM 339 N ARG A 21 61.959 -8.089 -6.731 1.00 15.00 N ATOM 340 CA ARG A 21 61.846 -7.489 -5.368 1.00 15.00 C ATOM 341 C ARG A 21 63.180 -6.865 -4.945 1.00 15.00 C ATOM 342 O ARG A 21 64.192 -7.537 -4.872 1.00 15.00 O ATOM 343 CB ARG A 21 61.487 -8.658 -4.451 1.00 15.00 C ATOM 344 CG ARG A 21 61.092 -8.124 -3.072 1.00 15.00 C ATOM 345 CD ARG A 21 60.794 -9.297 -2.135 1.00 15.00 C ATOM 346 NE ARG A 21 60.242 -8.672 -0.892 1.00 15.00 N ATOM 347 CZ ARG A 21 59.006 -8.214 -0.839 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.204 -8.269 -1.878 1.00 15.00 N ATOM 349 NH2 ARG A 21 58.570 -7.689 0.274 1.00 15.00 N ATOM 0 H ARG A 21 62.411 -9.003 -6.765 1.00 15.00 H new ATOM 0 HA ARG A 21 61.101 -6.694 -5.330 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.665 -9.231 -4.880 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.335 -9.337 -4.360 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.897 -7.514 -2.663 1.00 15.00 H new ATOM 0 HG3 ARG A 21 60.216 -7.481 -3.157 1.00 15.00 H new ATOM 0 HD2 ARG A 21 60.077 -9.986 -2.582 1.00 15.00 H new ATOM 0 HD3 ARG A 21 61.696 -9.870 -1.921 1.00 15.00 H new ATOM 0 HE ARG A 21 60.836 -8.598 -0.066 1.00 15.00 H new ATOM 0 HH11 ARG A 21 58.532 -8.674 -2.755 1.00 15.00 H new ATOM 0 HH12 ARG A 21 57.253 -7.907 -1.808 1.00 15.00 H new ATOM 0 HH21 ARG A 21 59.183 -7.637 1.088 1.00 15.00 H new ATOM 0 HH22 ARG A 21 57.617 -7.331 0.330 1.00 15.00 H new ATOM 363 N TYR A 22 63.179 -5.585 -4.667 1.00 15.00 N ATOM 364 CA TYR A 22 64.411 -4.911 -4.157 1.00 15.00 C ATOM 365 C TYR A 22 64.191 -4.467 -2.709 1.00 15.00 C ATOM 366 O TYR A 22 63.181 -3.872 -2.390 1.00 15.00 O ATOM 367 CB TYR A 22 64.600 -3.687 -5.054 1.00 15.00 C ATOM 368 CG TYR A 22 65.030 -4.013 -6.465 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.407 -4.133 -6.775 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.056 -4.192 -7.478 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.809 -4.431 -8.101 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.458 -4.490 -8.802 1.00 15.00 C ATOM 373 CZ TYR A 22 65.835 -4.609 -9.114 1.00 15.00 C ATOM 374 OH TYR A 22 66.227 -4.899 -10.405 1.00 15.00 O ATOM 0 H TYR A 22 62.370 -4.973 -4.773 1.00 15.00 H new ATOM 0 HA TYR A 22 65.280 -5.569 -4.176 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.664 -3.130 -5.091 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.344 -3.031 -4.602 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.149 -3.998 -6.002 1.00 15.00 H new ATOM 0 HD2 TYR A 22 63.006 -4.101 -7.240 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.858 -4.522 -8.339 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.715 -4.627 -9.574 1.00 15.00 H new ATOM 0 HH TYR A 22 65.435 -4.991 -10.975 1.00 15.00 H new ATOM 384 N GLU A 23 65.124 -4.750 -1.834 1.00 15.00 N ATOM 385 CA GLU A 23 65.006 -4.259 -0.426 1.00 15.00 C ATOM 386 C GLU A 23 66.170 -3.323 -0.102 1.00 15.00 C ATOM 387 O GLU A 23 67.293 -3.558 -0.504 1.00 15.00 O ATOM 388 CB GLU A 23 65.072 -5.516 0.443 1.00 15.00 C ATOM 389 CG GLU A 23 63.817 -6.362 0.215 1.00 15.00 C ATOM 390 CD GLU A 23 63.595 -7.287 1.415 1.00 15.00 C ATOM 391 OE1 GLU A 23 62.455 -7.423 1.828 1.00 15.00 O ATOM 392 OE2 GLU A 23 64.567 -7.843 1.899 1.00 15.00 O ATOM 0 H GLU A 23 65.961 -5.299 -2.033 1.00 15.00 H new ATOM 0 HA GLU A 23 64.086 -3.699 -0.258 1.00 15.00 H new ATOM 0 HB2 GLU A 23 65.963 -6.094 0.197 1.00 15.00 H new ATOM 0 HB3 GLU A 23 65.151 -5.240 1.495 1.00 15.00 H new ATOM 0 HG2 GLU A 23 62.951 -5.715 0.077 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.924 -6.951 -0.696 1.00 15.00 H new ATOM 399 N GLY A 24 65.903 -2.266 0.623 1.00 15.00 N ATOM 400 CA GLY A 24 66.980 -1.295 0.981 1.00 15.00 C ATOM 401 C GLY A 24 66.469 -0.373 2.086 1.00 15.00 C ATOM 402 O GLY A 24 65.350 -0.513 2.542 1.00 15.00 O ATOM 0 H GLY A 24 64.978 -2.033 0.985 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.871 -1.827 1.316 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.267 -0.712 0.106 1.00 15.00 H new ATOM 406 N ILE A 25 67.271 0.568 2.520 1.00 15.00 N ATOM 407 CA ILE A 25 66.814 1.501 3.600 1.00 15.00 C ATOM 408 C ILE A 25 66.557 2.891 3.009 1.00 15.00 C ATOM 409 O ILE A 25 67.255 3.333 2.115 1.00 15.00 O ATOM 410 CB ILE A 25 67.951 1.552 4.635 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.364 0.127 5.067 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.482 2.340 5.865 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.169 -0.629 5.667 1.00 15.00 C ATOM 0 H ILE A 25 68.217 0.731 2.176 1.00 15.00 H new ATOM 0 HA ILE A 25 65.885 1.164 4.060 1.00 15.00 H new ATOM 0 HB ILE A 25 68.813 2.042 4.182 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.752 -0.420 4.208 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.169 0.183 5.799 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.285 2.378 6.601 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.214 3.354 5.567 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.613 1.849 6.302 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.483 -1.630 5.964 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.799 -0.091 6.540 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.375 -0.704 4.924 1.00 15.00 H new ATOM 425 N LEU A 26 65.558 3.577 3.509 1.00 15.00 N ATOM 426 CA LEU A 26 65.210 4.929 2.965 1.00 15.00 C ATOM 427 C LEU A 26 66.338 5.922 3.255 1.00 15.00 C ATOM 428 O LEU A 26 66.598 6.254 4.395 1.00 15.00 O ATOM 429 CB LEU A 26 63.932 5.340 3.704 1.00 15.00 C ATOM 430 CG LEU A 26 63.387 6.643 3.114 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.777 6.364 1.737 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.315 7.224 4.049 1.00 15.00 C ATOM 0 H LEU A 26 64.965 3.257 4.275 1.00 15.00 H new ATOM 0 HA LEU A 26 65.069 4.914 1.884 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.184 4.552 3.621 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.141 5.471 4.766 1.00 15.00 H new ATOM 0 HG LEU A 26 64.199 7.362 3.010 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.389 7.292 1.316 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.542 5.958 1.076 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.965 5.644 1.838 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.928 8.152 3.627 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.501 6.508 4.158 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.755 7.425 5.026 1.00 15.00 H new ATOM 444 N TYR A 27 67.004 6.394 2.228 1.00 15.00 N ATOM 445 CA TYR A 27 68.115 7.372 2.432 1.00 15.00 C ATOM 446 C TYR A 27 67.594 8.804 2.292 1.00 15.00 C ATOM 447 O TYR A 27 67.807 9.634 3.158 1.00 15.00 O ATOM 448 CB TYR A 27 69.131 7.060 1.333 1.00 15.00 C ATOM 449 CG TYR A 27 70.411 7.850 1.461 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.206 7.723 2.625 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.815 8.720 0.418 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.406 8.465 2.748 1.00 15.00 C ATOM 453 CE2 TYR A 27 72.015 9.461 0.542 1.00 15.00 C ATOM 454 CZ TYR A 27 72.811 9.335 1.707 1.00 15.00 C ATOM 455 OH TYR A 27 73.980 10.058 1.825 1.00 15.00 O ATOM 0 H TYR A 27 66.824 6.142 1.256 1.00 15.00 H new ATOM 0 HA TYR A 27 68.555 7.291 3.426 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.365 5.996 1.356 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.680 7.266 0.362 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.897 7.060 3.420 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.208 8.818 -0.470 1.00 15.00 H new ATOM 0 HE1 TYR A 27 73.012 8.367 3.636 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.324 10.123 -0.253 1.00 15.00 H new ATOM 0 HH TYR A 27 74.109 10.604 1.022 1.00 15.00 H new ATOM 465 N THR A 28 66.914 9.097 1.210 1.00 15.00 N ATOM 466 CA THR A 28 66.395 10.485 0.999 1.00 15.00 C ATOM 467 C THR A 28 65.072 10.454 0.227 1.00 15.00 C ATOM 468 O THR A 28 64.882 9.644 -0.661 1.00 15.00 O ATOM 469 CB THR A 28 67.475 11.193 0.179 1.00 15.00 C ATOM 470 OG1 THR A 28 67.844 10.375 -0.923 1.00 15.00 O ATOM 471 CG2 THR A 28 68.699 11.450 1.060 1.00 15.00 C ATOM 0 H THR A 28 66.696 8.436 0.465 1.00 15.00 H new ATOM 0 HA THR A 28 66.196 10.994 1.942 1.00 15.00 H new ATOM 0 HB THR A 28 67.089 12.144 -0.189 1.00 15.00 H new ATOM 0 HG1 THR A 28 67.680 10.859 -1.759 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.468 11.954 0.476 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.414 12.078 1.904 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.088 10.501 1.429 1.00 15.00 H new ATOM 479 N ILE A 29 64.160 11.337 0.562 1.00 15.00 N ATOM 480 CA ILE A 29 62.847 11.388 -0.157 1.00 15.00 C ATOM 481 C ILE A 29 62.754 12.689 -0.967 1.00 15.00 C ATOM 482 O ILE A 29 62.956 13.768 -0.442 1.00 15.00 O ATOM 483 CB ILE A 29 61.772 11.355 0.945 1.00 15.00 C ATOM 484 CG1 ILE A 29 61.915 10.077 1.783 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.376 11.376 0.311 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.064 10.193 3.051 1.00 15.00 C ATOM 0 H ILE A 29 64.270 12.027 1.305 1.00 15.00 H new ATOM 0 HA ILE A 29 62.724 10.560 -0.855 1.00 15.00 H new ATOM 0 HB ILE A 29 61.902 12.229 1.584 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.600 9.211 1.200 1.00 15.00 H new ATOM 0 HG13 ILE A 29 62.960 9.920 2.048 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.620 11.352 1.096 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.258 12.285 -0.279 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.256 10.506 -0.334 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.168 9.284 3.643 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.399 11.049 3.637 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.018 10.329 2.776 1.00 15.00 H new ATOM 498 N ASP A 30 62.450 12.589 -2.239 1.00 15.00 N ATOM 499 CA ASP A 30 62.271 13.814 -3.076 1.00 15.00 C ATOM 500 C ASP A 30 60.803 13.949 -3.488 1.00 15.00 C ATOM 501 O ASP A 30 60.361 13.337 -4.443 1.00 15.00 O ATOM 502 CB ASP A 30 63.158 13.589 -4.302 1.00 15.00 C ATOM 503 CG ASP A 30 63.229 14.877 -5.125 1.00 15.00 C ATOM 504 OD1 ASP A 30 63.413 15.928 -4.533 1.00 15.00 O ATOM 505 OD2 ASP A 30 63.098 14.791 -6.335 1.00 15.00 O ATOM 0 H ASP A 30 62.318 11.707 -2.734 1.00 15.00 H new ATOM 0 HA ASP A 30 62.541 14.727 -2.545 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.158 13.289 -3.990 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.757 12.778 -4.910 1.00 15.00 H new ATOM 510 N THR A 31 60.049 14.748 -2.773 1.00 15.00 N ATOM 511 CA THR A 31 58.585 14.873 -3.067 1.00 15.00 C ATOM 512 C THR A 31 58.367 15.624 -4.384 1.00 15.00 C ATOM 513 O THR A 31 57.462 15.318 -5.136 1.00 15.00 O ATOM 514 CB THR A 31 58.001 15.669 -1.896 1.00 15.00 C ATOM 515 OG1 THR A 31 58.426 15.086 -0.672 1.00 15.00 O ATOM 516 CG2 THR A 31 56.474 15.646 -1.971 1.00 15.00 C ATOM 0 H THR A 31 60.384 15.320 -1.998 1.00 15.00 H new ATOM 0 HA THR A 31 58.108 13.899 -3.173 1.00 15.00 H new ATOM 0 HB THR A 31 58.348 16.701 -1.948 1.00 15.00 H new ATOM 0 HG1 THR A 31 58.055 15.595 0.079 1.00 15.00 H new ATOM 0 HG21 THR A 31 56.060 16.213 -1.137 1.00 15.00 H new ATOM 0 HG22 THR A 31 56.149 16.093 -2.910 1.00 15.00 H new ATOM 0 HG23 THR A 31 56.123 14.615 -1.919 1.00 15.00 H new ATOM 524 N GLU A 32 59.198 16.599 -4.671 1.00 15.00 N ATOM 525 CA GLU A 32 58.939 17.505 -5.841 1.00 15.00 C ATOM 526 C GLU A 32 58.852 16.708 -7.150 1.00 15.00 C ATOM 527 O GLU A 32 58.168 17.104 -8.077 1.00 15.00 O ATOM 528 CB GLU A 32 60.133 18.465 -5.882 1.00 15.00 C ATOM 529 CG GLU A 32 59.852 19.591 -6.880 1.00 15.00 C ATOM 530 CD GLU A 32 61.096 20.471 -7.022 1.00 15.00 C ATOM 531 OE1 GLU A 32 60.945 21.682 -7.017 1.00 15.00 O ATOM 532 OE2 GLU A 32 62.179 19.920 -7.135 1.00 15.00 O ATOM 0 H GLU A 32 60.047 16.808 -4.145 1.00 15.00 H new ATOM 0 HA GLU A 32 57.990 18.031 -5.734 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.313 18.881 -4.890 1.00 15.00 H new ATOM 0 HB3 GLU A 32 61.036 17.927 -6.170 1.00 15.00 H new ATOM 0 HG2 GLU A 32 59.577 19.173 -7.848 1.00 15.00 H new ATOM 0 HG3 GLU A 32 59.007 20.190 -6.540 1.00 15.00 H new ATOM 539 N ASN A 33 59.536 15.592 -7.230 1.00 15.00 N ATOM 540 CA ASN A 33 59.548 14.803 -8.504 1.00 15.00 C ATOM 541 C ASN A 33 58.937 13.405 -8.308 1.00 15.00 C ATOM 542 O ASN A 33 59.084 12.542 -9.153 1.00 15.00 O ATOM 543 CB ASN A 33 61.027 14.686 -8.879 1.00 15.00 C ATOM 544 CG ASN A 33 61.580 16.065 -9.251 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.862 16.911 -9.748 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.839 16.329 -9.033 1.00 15.00 N ATOM 0 H ASN A 33 60.086 15.193 -6.469 1.00 15.00 H new ATOM 0 HA ASN A 33 58.954 15.288 -9.279 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.591 14.271 -8.044 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.146 13.999 -9.717 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.218 17.243 -9.279 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.444 15.621 -8.616 1.00 15.00 H new ATOM 553 N SER A 34 58.247 13.171 -7.207 1.00 15.00 N ATOM 554 CA SER A 34 57.690 11.803 -6.911 1.00 15.00 C ATOM 555 C SER A 34 58.769 10.715 -7.067 1.00 15.00 C ATOM 556 O SER A 34 58.558 9.702 -7.712 1.00 15.00 O ATOM 557 CB SER A 34 56.561 11.599 -7.927 1.00 15.00 C ATOM 558 OG SER A 34 55.916 10.359 -7.671 1.00 15.00 O ATOM 0 H SER A 34 58.045 13.875 -6.497 1.00 15.00 H new ATOM 0 HA SER A 34 57.333 11.730 -5.884 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.843 12.416 -7.859 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.962 11.611 -8.940 1.00 15.00 H new ATOM 0 HG SER A 34 56.583 9.641 -7.651 1.00 15.00 H new ATOM 564 N THR A 35 59.924 10.922 -6.477 1.00 15.00 N ATOM 565 CA THR A 35 61.028 9.918 -6.598 1.00 15.00 C ATOM 566 C THR A 35 61.630 9.614 -5.223 1.00 15.00 C ATOM 567 O THR A 35 61.640 10.452 -4.340 1.00 15.00 O ATOM 568 CB THR A 35 62.078 10.572 -7.505 1.00 15.00 C ATOM 569 OG1 THR A 35 62.454 11.833 -6.963 1.00 15.00 O ATOM 570 CG2 THR A 35 61.510 10.766 -8.916 1.00 15.00 C ATOM 0 H THR A 35 60.149 11.744 -5.917 1.00 15.00 H new ATOM 0 HA THR A 35 60.670 8.973 -7.006 1.00 15.00 H new ATOM 0 HB THR A 35 62.952 9.924 -7.562 1.00 15.00 H new ATOM 0 HG1 THR A 35 63.126 12.250 -7.541 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.264 11.231 -9.551 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.232 9.798 -9.332 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.630 11.407 -8.869 1.00 15.00 H new ATOM 578 N VAL A 36 62.132 8.417 -5.040 1.00 15.00 N ATOM 579 CA VAL A 36 62.761 8.048 -3.734 1.00 15.00 C ATOM 580 C VAL A 36 64.140 7.425 -3.986 1.00 15.00 C ATOM 581 O VAL A 36 64.314 6.637 -4.899 1.00 15.00 O ATOM 582 CB VAL A 36 61.806 7.025 -3.096 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.345 6.589 -1.729 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.422 7.657 -2.905 1.00 15.00 C ATOM 0 H VAL A 36 62.133 7.677 -5.742 1.00 15.00 H new ATOM 0 HA VAL A 36 62.910 8.910 -3.083 1.00 15.00 H new ATOM 0 HB VAL A 36 61.730 6.159 -3.753 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.663 5.865 -1.283 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.328 6.134 -1.854 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.428 7.458 -1.077 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.749 6.929 -2.453 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.506 8.527 -2.254 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.026 7.965 -3.873 1.00 15.00 H new ATOM 594 N ALA A 37 65.116 7.775 -3.184 1.00 15.00 N ATOM 595 CA ALA A 37 66.479 7.183 -3.342 1.00 15.00 C ATOM 596 C ALA A 37 66.776 6.240 -2.175 1.00 15.00 C ATOM 597 O ALA A 37 66.649 6.614 -1.022 1.00 15.00 O ATOM 598 CB ALA A 37 67.441 8.374 -3.333 1.00 15.00 C ATOM 0 H ALA A 37 65.025 8.449 -2.423 1.00 15.00 H new ATOM 0 HA ALA A 37 66.573 6.599 -4.258 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.464 8.016 -3.445 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.198 9.044 -4.158 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.346 8.911 -2.389 1.00 15.00 H new ATOM 604 N LEU A 38 67.173 5.025 -2.471 1.00 15.00 N ATOM 605 CA LEU A 38 67.447 4.030 -1.389 1.00 15.00 C ATOM 606 C LEU A 38 68.922 3.630 -1.417 1.00 15.00 C ATOM 607 O LEU A 38 69.499 3.438 -2.471 1.00 15.00 O ATOM 608 CB LEU A 38 66.568 2.815 -1.715 1.00 15.00 C ATOM 609 CG LEU A 38 65.084 3.203 -1.694 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.243 2.007 -2.147 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.671 3.600 -0.273 1.00 15.00 C ATOM 0 H LEU A 38 67.319 4.680 -3.420 1.00 15.00 H new ATOM 0 HA LEU A 38 67.230 4.432 -0.399 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.833 2.420 -2.696 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.752 2.021 -0.991 1.00 15.00 H new ATOM 0 HG LEU A 38 64.923 4.046 -2.366 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.187 2.278 -2.134 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.531 1.722 -3.159 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.410 1.168 -1.472 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.616 3.875 -0.264 1.00 15.00 H new ATOM 0 HD22 LEU A 38 64.833 2.759 0.401 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.270 4.449 0.056 1.00 15.00 H new ATOM 623 N ALA A 39 69.533 3.505 -0.264 1.00 15.00 N ATOM 624 CA ALA A 39 70.969 3.096 -0.209 1.00 15.00 C ATOM 625 C ALA A 39 71.096 1.730 0.468 1.00 15.00 C ATOM 626 O ALA A 39 70.172 1.261 1.108 1.00 15.00 O ATOM 627 CB ALA A 39 71.660 4.177 0.622 1.00 15.00 C ATOM 0 H ALA A 39 69.097 3.669 0.643 1.00 15.00 H new ATOM 0 HA ALA A 39 71.414 3.004 -1.200 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.722 3.947 0.708 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.537 5.144 0.135 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.215 4.212 1.616 1.00 15.00 H new ATOM 633 N LYS A 40 72.239 1.087 0.330 1.00 15.00 N ATOM 634 CA LYS A 40 72.438 -0.285 0.916 1.00 15.00 C ATOM 635 C LYS A 40 71.301 -1.225 0.482 1.00 15.00 C ATOM 636 O LYS A 40 70.614 -1.811 1.302 1.00 15.00 O ATOM 637 CB LYS A 40 72.441 -0.088 2.438 1.00 15.00 C ATOM 638 CG LYS A 40 73.662 0.740 2.846 1.00 15.00 C ATOM 639 CD LYS A 40 73.725 0.840 4.372 1.00 15.00 C ATOM 640 CE LYS A 40 74.868 1.774 4.775 1.00 15.00 C ATOM 641 NZ LYS A 40 75.034 1.569 6.241 1.00 15.00 N ATOM 0 H LYS A 40 73.048 1.458 -0.168 1.00 15.00 H new ATOM 0 HA LYS A 40 73.366 -0.743 0.574 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.526 0.415 2.752 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.461 -1.055 2.940 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.572 0.278 2.463 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.602 1.736 2.408 1.00 15.00 H new ATOM 0 HD2 LYS A 40 72.779 1.216 4.762 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.878 -0.148 4.806 1.00 15.00 H new ATOM 0 HE2 LYS A 40 75.784 1.532 4.236 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.629 2.812 4.546 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 75.802 2.177 6.592 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 74.148 1.814 6.728 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 75.268 0.573 6.428 1.00 15.00 H new ATOM 655 N VAL A 41 71.106 -1.370 -0.807 1.00 15.00 N ATOM 656 CA VAL A 41 69.944 -2.162 -1.314 1.00 15.00 C ATOM 657 C VAL A 41 70.435 -3.374 -2.121 1.00 15.00 C ATOM 658 O VAL A 41 71.473 -3.328 -2.755 1.00 15.00 O ATOM 659 CB VAL A 41 69.144 -1.181 -2.192 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.964 -0.757 -3.417 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.846 -1.850 -2.659 1.00 15.00 C ATOM 0 H VAL A 41 71.704 -0.972 -1.531 1.00 15.00 H new ATOM 0 HA VAL A 41 69.329 -2.564 -0.509 1.00 15.00 H new ATOM 0 HB VAL A 41 68.914 -0.296 -1.599 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.380 -0.064 -4.023 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.881 -0.268 -3.089 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.214 -1.637 -4.010 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.281 -1.155 -3.280 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.084 -2.742 -3.238 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.248 -2.129 -1.791 1.00 15.00 H new ATOM 671 N ARG A 42 69.691 -4.451 -2.093 1.00 15.00 N ATOM 672 CA ARG A 42 70.076 -5.664 -2.878 1.00 15.00 C ATOM 673 C ARG A 42 68.842 -6.267 -3.562 1.00 15.00 C ATOM 674 O ARG A 42 67.729 -6.107 -3.095 1.00 15.00 O ATOM 675 CB ARG A 42 70.675 -6.643 -1.854 1.00 15.00 C ATOM 676 CG ARG A 42 69.646 -6.984 -0.767 1.00 15.00 C ATOM 677 CD ARG A 42 70.324 -7.791 0.344 1.00 15.00 C ATOM 678 NE ARG A 42 69.217 -8.180 1.273 1.00 15.00 N ATOM 679 CZ ARG A 42 68.688 -7.316 2.120 1.00 15.00 C ATOM 680 NH1 ARG A 42 69.097 -6.069 2.179 1.00 15.00 N ATOM 681 NH2 ARG A 42 67.731 -7.710 2.915 1.00 15.00 N ATOM 0 H ARG A 42 68.828 -4.543 -1.557 1.00 15.00 H new ATOM 0 HA ARG A 42 70.790 -5.432 -3.669 1.00 15.00 H new ATOM 0 HB2 ARG A 42 70.995 -7.555 -2.358 1.00 15.00 H new ATOM 0 HB3 ARG A 42 71.562 -6.203 -1.398 1.00 15.00 H new ATOM 0 HG2 ARG A 42 69.218 -6.069 -0.357 1.00 15.00 H new ATOM 0 HG3 ARG A 42 68.824 -7.556 -1.197 1.00 15.00 H new ATOM 0 HD2 ARG A 42 70.828 -8.670 -0.058 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.080 -7.197 0.858 1.00 15.00 H new ATOM 0 HE ARG A 42 68.862 -9.136 1.251 1.00 15.00 H new ATOM 0 HH11 ARG A 42 69.841 -5.747 1.561 1.00 15.00 H new ATOM 0 HH12 ARG A 42 68.670 -5.423 2.843 1.00 15.00 H new ATOM 0 HH21 ARG A 42 67.401 -8.674 2.877 1.00 15.00 H new ATOM 0 HH22 ARG A 42 67.313 -7.054 3.574 1.00 15.00 H new ATOM 695 N SER A 43 69.036 -6.953 -4.662 1.00 15.00 N ATOM 696 CA SER A 43 67.884 -7.575 -5.383 1.00 15.00 C ATOM 697 C SER A 43 67.824 -9.077 -5.079 1.00 15.00 C ATOM 698 O SER A 43 68.827 -9.765 -5.125 1.00 15.00 O ATOM 699 CB SER A 43 68.168 -7.327 -6.866 1.00 15.00 C ATOM 700 OG SER A 43 69.253 -8.148 -7.284 1.00 15.00 O ATOM 0 H SER A 43 69.947 -7.109 -5.093 1.00 15.00 H new ATOM 0 HA SER A 43 66.924 -7.155 -5.081 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.281 -7.548 -7.459 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.408 -6.277 -7.031 1.00 15.00 H new ATOM 0 HG SER A 43 69.459 -8.800 -6.582 1.00 15.00 H new ATOM 706 N PHE A 44 66.654 -9.584 -4.772 1.00 15.00 N ATOM 707 CA PHE A 44 66.536 -11.023 -4.369 1.00 15.00 C ATOM 708 C PHE A 44 66.689 -11.940 -5.586 1.00 15.00 C ATOM 709 O PHE A 44 67.321 -12.978 -5.508 1.00 15.00 O ATOM 710 CB PHE A 44 65.136 -11.161 -3.764 1.00 15.00 C ATOM 711 CG PHE A 44 65.087 -10.857 -2.285 1.00 15.00 C ATOM 712 CD1 PHE A 44 64.695 -11.864 -1.369 1.00 15.00 C ATOM 713 CD2 PHE A 44 65.437 -9.569 -1.815 1.00 15.00 C ATOM 714 CE1 PHE A 44 64.651 -11.580 0.018 1.00 15.00 C ATOM 715 CE2 PHE A 44 65.393 -9.286 -0.428 1.00 15.00 C ATOM 716 CZ PHE A 44 65.000 -10.292 0.488 1.00 15.00 C ATOM 0 H PHE A 44 65.776 -9.065 -4.783 1.00 15.00 H new ATOM 0 HA PHE A 44 67.314 -11.310 -3.662 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.455 -10.490 -4.288 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.775 -12.176 -3.931 1.00 15.00 H new ATOM 0 HD1 PHE A 44 64.430 -12.848 -1.728 1.00 15.00 H new ATOM 0 HD2 PHE A 44 65.738 -8.802 -2.514 1.00 15.00 H new ATOM 0 HE1 PHE A 44 64.351 -12.347 0.717 1.00 15.00 H new ATOM 0 HE2 PHE A 44 65.659 -8.303 -0.069 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.967 -10.076 1.546 1.00 15.00 H new ATOM 726 N GLY A 45 66.119 -11.566 -6.706 1.00 15.00 N ATOM 727 CA GLY A 45 66.241 -12.412 -7.932 1.00 15.00 C ATOM 728 C GLY A 45 65.257 -11.930 -9.000 1.00 15.00 C ATOM 729 O GLY A 45 64.411 -11.092 -8.744 1.00 15.00 O ATOM 0 H GLY A 45 65.575 -10.711 -6.823 1.00 15.00 H new ATOM 0 HA2 GLY A 45 67.260 -12.365 -8.317 1.00 15.00 H new ATOM 0 HA3 GLY A 45 66.041 -13.455 -7.686 1.00 15.00 H new ATOM 733 N THR A 46 65.367 -12.458 -10.195 1.00 15.00 N ATOM 734 CA THR A 46 64.423 -12.069 -11.295 1.00 15.00 C ATOM 735 C THR A 46 63.612 -13.283 -11.782 1.00 15.00 C ATOM 736 O THR A 46 62.875 -13.189 -12.746 1.00 15.00 O ATOM 737 CB THR A 46 65.312 -11.541 -12.426 1.00 15.00 C ATOM 738 OG1 THR A 46 66.254 -12.541 -12.802 1.00 15.00 O ATOM 739 CG2 THR A 46 66.050 -10.278 -11.967 1.00 15.00 C ATOM 0 H THR A 46 66.073 -13.145 -10.459 1.00 15.00 H new ATOM 0 HA THR A 46 63.702 -11.326 -10.955 1.00 15.00 H new ATOM 0 HB THR A 46 64.688 -11.294 -13.284 1.00 15.00 H new ATOM 0 HG1 THR A 46 66.711 -12.267 -13.625 1.00 15.00 H new ATOM 0 HG21 THR A 46 66.679 -9.910 -12.777 1.00 15.00 H new ATOM 0 HG22 THR A 46 65.325 -9.512 -11.694 1.00 15.00 H new ATOM 0 HG23 THR A 46 66.671 -10.513 -11.103 1.00 15.00 H new ATOM 747 N GLU A 47 63.737 -14.421 -11.128 1.00 15.00 N ATOM 748 CA GLU A 47 63.086 -15.678 -11.636 1.00 15.00 C ATOM 749 C GLU A 47 61.571 -15.492 -11.821 1.00 15.00 C ATOM 750 O GLU A 47 60.948 -16.198 -12.592 1.00 15.00 O ATOM 751 CB GLU A 47 63.362 -16.738 -10.565 1.00 15.00 C ATOM 752 CG GLU A 47 62.970 -18.119 -11.095 1.00 15.00 C ATOM 753 CD GLU A 47 63.110 -19.155 -9.978 1.00 15.00 C ATOM 754 OE1 GLU A 47 63.646 -20.219 -10.247 1.00 15.00 O ATOM 755 OE2 GLU A 47 62.678 -18.870 -8.873 1.00 15.00 O ATOM 0 H GLU A 47 64.264 -14.532 -10.262 1.00 15.00 H new ATOM 0 HA GLU A 47 63.482 -15.960 -12.612 1.00 15.00 H new ATOM 0 HB2 GLU A 47 64.417 -16.728 -10.293 1.00 15.00 H new ATOM 0 HB3 GLU A 47 62.798 -16.511 -9.661 1.00 15.00 H new ATOM 0 HG2 GLU A 47 61.944 -18.101 -11.462 1.00 15.00 H new ATOM 0 HG3 GLU A 47 63.605 -18.390 -11.938 1.00 15.00 H new ATOM 762 N ASP A 48 60.978 -14.550 -11.121 1.00 15.00 N ATOM 763 CA ASP A 48 59.498 -14.323 -11.254 1.00 15.00 C ATOM 764 C ASP A 48 59.140 -13.931 -12.693 1.00 15.00 C ATOM 765 O ASP A 48 58.068 -14.239 -13.180 1.00 15.00 O ATOM 766 CB ASP A 48 59.174 -13.178 -10.290 1.00 15.00 C ATOM 767 CG ASP A 48 57.712 -13.280 -9.847 1.00 15.00 C ATOM 768 OD1 ASP A 48 57.043 -12.259 -9.839 1.00 15.00 O ATOM 769 OD2 ASP A 48 57.286 -14.377 -9.523 1.00 15.00 O ATOM 0 H ASP A 48 61.453 -13.930 -10.465 1.00 15.00 H new ATOM 0 HA ASP A 48 58.928 -15.223 -11.021 1.00 15.00 H new ATOM 0 HB2 ASP A 48 59.832 -13.222 -9.422 1.00 15.00 H new ATOM 0 HB3 ASP A 48 59.352 -12.219 -10.776 1.00 15.00 H new ATOM 774 N ARG A 49 60.034 -13.251 -13.373 1.00 15.00 N ATOM 775 CA ARG A 49 59.777 -12.861 -14.794 1.00 15.00 C ATOM 776 C ARG A 49 60.897 -13.402 -15.702 1.00 15.00 C ATOM 777 O ARG A 49 61.926 -12.768 -15.841 1.00 15.00 O ATOM 778 CB ARG A 49 59.777 -11.330 -14.792 1.00 15.00 C ATOM 779 CG ARG A 49 58.359 -10.814 -14.536 1.00 15.00 C ATOM 780 CD ARG A 49 57.496 -11.052 -15.778 1.00 15.00 C ATOM 781 NE ARG A 49 56.234 -10.288 -15.529 1.00 15.00 N ATOM 782 CZ ARG A 49 56.185 -8.974 -15.653 1.00 15.00 C ATOM 783 NH1 ARG A 49 57.245 -8.272 -15.984 1.00 15.00 N ATOM 784 NH2 ARG A 49 55.056 -8.357 -15.435 1.00 15.00 N ATOM 0 H ARG A 49 60.934 -12.949 -13.001 1.00 15.00 H new ATOM 0 HA ARG A 49 58.838 -13.266 -15.172 1.00 15.00 H new ATOM 0 HB2 ARG A 49 60.454 -10.958 -14.023 1.00 15.00 H new ATOM 0 HB3 ARG A 49 60.144 -10.956 -15.748 1.00 15.00 H new ATOM 0 HG2 ARG A 49 57.925 -11.324 -13.676 1.00 15.00 H new ATOM 0 HG3 ARG A 49 58.385 -9.751 -14.297 1.00 15.00 H new ATOM 0 HD2 ARG A 49 57.998 -10.701 -16.680 1.00 15.00 H new ATOM 0 HD3 ARG A 49 57.293 -12.114 -15.919 1.00 15.00 H new ATOM 0 HE ARG A 49 55.391 -10.794 -15.257 1.00 15.00 H new ATOM 0 HH11 ARG A 49 58.135 -8.741 -16.152 1.00 15.00 H new ATOM 0 HH12 ARG A 49 57.178 -7.258 -16.073 1.00 15.00 H new ATOM 0 HH21 ARG A 49 54.226 -8.889 -15.173 1.00 15.00 H new ATOM 0 HH22 ARG A 49 55.003 -7.343 -15.527 1.00 15.00 H new ATOM 798 N PRO A 50 60.669 -14.563 -16.296 1.00 15.00 N ATOM 799 CA PRO A 50 61.694 -15.173 -17.192 1.00 15.00 C ATOM 800 C PRO A 50 62.031 -14.231 -18.357 1.00 15.00 C ATOM 801 O PRO A 50 61.151 -13.729 -19.033 1.00 15.00 O ATOM 802 CB PRO A 50 61.031 -16.455 -17.703 1.00 15.00 C ATOM 803 CG PRO A 50 59.904 -16.728 -16.758 1.00 15.00 C ATOM 804 CD PRO A 50 59.467 -15.405 -16.195 1.00 15.00 C ATOM 0 HA PRO A 50 62.635 -15.366 -16.678 1.00 15.00 H new ATOM 0 HB2 PRO A 50 60.666 -16.328 -18.722 1.00 15.00 H new ATOM 0 HB3 PRO A 50 61.739 -17.283 -17.719 1.00 15.00 H new ATOM 0 HG2 PRO A 50 59.079 -17.218 -17.275 1.00 15.00 H new ATOM 0 HG3 PRO A 50 60.224 -17.399 -15.961 1.00 15.00 H new ATOM 0 HD2 PRO A 50 58.636 -14.985 -16.761 1.00 15.00 H new ATOM 0 HD3 PRO A 50 59.132 -15.501 -15.162 1.00 15.00 H new ATOM 812 N THR A 51 63.299 -13.993 -18.588 1.00 15.00 N ATOM 813 CA THR A 51 63.714 -13.063 -19.683 1.00 15.00 C ATOM 814 C THR A 51 64.817 -13.702 -20.529 1.00 15.00 C ATOM 815 O THR A 51 65.422 -14.682 -20.132 1.00 15.00 O ATOM 816 CB THR A 51 64.242 -11.817 -18.967 1.00 15.00 C ATOM 817 OG1 THR A 51 65.163 -12.207 -17.958 1.00 15.00 O ATOM 818 CG2 THR A 51 63.077 -11.057 -18.332 1.00 15.00 C ATOM 0 H THR A 51 64.069 -14.406 -18.061 1.00 15.00 H new ATOM 0 HA THR A 51 62.891 -12.827 -20.358 1.00 15.00 H new ATOM 0 HB THR A 51 64.744 -11.170 -19.687 1.00 15.00 H new ATOM 0 HG1 THR A 51 65.503 -11.410 -17.500 1.00 15.00 H new ATOM 0 HG21 THR A 51 63.455 -10.171 -17.823 1.00 15.00 H new ATOM 0 HG22 THR A 51 62.372 -10.757 -19.108 1.00 15.00 H new ATOM 0 HG23 THR A 51 62.572 -11.701 -17.612 1.00 15.00 H new ATOM 826 N ASP A 52 65.080 -13.154 -21.690 1.00 15.00 N ATOM 827 CA ASP A 52 66.168 -13.712 -22.559 1.00 15.00 C ATOM 828 C ASP A 52 67.564 -13.279 -22.063 1.00 15.00 C ATOM 829 O ASP A 52 68.568 -13.657 -22.637 1.00 15.00 O ATOM 830 CB ASP A 52 65.895 -13.163 -23.971 1.00 15.00 C ATOM 831 CG ASP A 52 65.951 -11.629 -23.972 1.00 15.00 C ATOM 832 OD1 ASP A 52 67.014 -11.096 -24.242 1.00 15.00 O ATOM 833 OD2 ASP A 52 64.929 -11.018 -23.703 1.00 15.00 O ATOM 0 H ASP A 52 64.591 -12.346 -22.075 1.00 15.00 H new ATOM 0 HA ASP A 52 66.166 -14.802 -22.541 1.00 15.00 H new ATOM 0 HB2 ASP A 52 66.631 -13.560 -24.670 1.00 15.00 H new ATOM 0 HB3 ASP A 52 64.916 -13.497 -24.314 1.00 15.00 H new ATOM 838 N ARG A 53 67.635 -12.494 -21.007 1.00 15.00 N ATOM 839 CA ARG A 53 68.961 -12.138 -20.418 1.00 15.00 C ATOM 840 C ARG A 53 69.089 -12.757 -19.014 1.00 15.00 C ATOM 841 O ARG A 53 68.455 -12.287 -18.087 1.00 15.00 O ATOM 842 CB ARG A 53 68.954 -10.611 -20.328 1.00 15.00 C ATOM 843 CG ARG A 53 68.999 -10.016 -21.737 1.00 15.00 C ATOM 844 CD ARG A 53 70.447 -9.990 -22.236 1.00 15.00 C ATOM 845 NE ARG A 53 71.054 -8.759 -21.634 1.00 15.00 N ATOM 846 CZ ARG A 53 72.361 -8.592 -21.582 1.00 15.00 C ATOM 847 NH1 ARG A 53 73.192 -9.492 -22.059 1.00 15.00 N ATOM 848 NH2 ARG A 53 72.843 -7.504 -21.046 1.00 15.00 N ATOM 0 H ARG A 53 66.829 -12.088 -20.532 1.00 15.00 H new ATOM 0 HA ARG A 53 69.796 -12.508 -21.013 1.00 15.00 H new ATOM 0 HB2 ARG A 53 68.059 -10.271 -19.807 1.00 15.00 H new ATOM 0 HB3 ARG A 53 69.811 -10.266 -19.749 1.00 15.00 H new ATOM 0 HG2 ARG A 53 68.381 -10.607 -22.413 1.00 15.00 H new ATOM 0 HG3 ARG A 53 68.588 -9.007 -21.730 1.00 15.00 H new ATOM 0 HD2 ARG A 53 70.985 -10.885 -21.926 1.00 15.00 H new ATOM 0 HD3 ARG A 53 70.487 -9.955 -23.325 1.00 15.00 H new ATOM 0 HE ARG A 53 70.443 -8.035 -21.256 1.00 15.00 H new ATOM 0 HH11 ARG A 53 72.830 -10.346 -22.483 1.00 15.00 H new ATOM 0 HH12 ARG A 53 74.199 -9.336 -22.005 1.00 15.00 H new ATOM 0 HH21 ARG A 53 72.211 -6.796 -20.674 1.00 15.00 H new ATOM 0 HH22 ARG A 53 73.852 -7.362 -20.999 1.00 15.00 H new ATOM 862 N PRO A 54 69.902 -13.793 -18.888 1.00 15.00 N ATOM 863 CA PRO A 54 70.023 -14.500 -17.585 1.00 15.00 C ATOM 864 C PRO A 54 70.708 -13.606 -16.547 1.00 15.00 C ATOM 865 O PRO A 54 71.738 -13.010 -16.811 1.00 15.00 O ATOM 866 CB PRO A 54 70.885 -15.723 -17.904 1.00 15.00 C ATOM 867 CG PRO A 54 71.625 -15.370 -19.154 1.00 15.00 C ATOM 868 CD PRO A 54 70.767 -14.396 -19.917 1.00 15.00 C ATOM 0 HA PRO A 54 69.056 -14.770 -17.162 1.00 15.00 H new ATOM 0 HB2 PRO A 54 71.574 -15.942 -17.088 1.00 15.00 H new ATOM 0 HB3 PRO A 54 70.270 -16.611 -18.049 1.00 15.00 H new ATOM 0 HG2 PRO A 54 72.592 -14.927 -18.917 1.00 15.00 H new ATOM 0 HG3 PRO A 54 71.820 -16.261 -19.751 1.00 15.00 H new ATOM 0 HD2 PRO A 54 71.372 -13.642 -20.421 1.00 15.00 H new ATOM 0 HD3 PRO A 54 70.180 -14.899 -20.686 1.00 15.00 H new ATOM 876 N ILE A 55 70.140 -13.510 -15.369 1.00 15.00 N ATOM 877 CA ILE A 55 70.788 -12.726 -14.270 1.00 15.00 C ATOM 878 C ILE A 55 71.004 -13.634 -13.053 1.00 15.00 C ATOM 879 O ILE A 55 70.061 -14.160 -12.490 1.00 15.00 O ATOM 880 CB ILE A 55 69.801 -11.590 -13.939 1.00 15.00 C ATOM 881 CG1 ILE A 55 69.515 -10.739 -15.196 1.00 15.00 C ATOM 882 CG2 ILE A 55 70.384 -10.695 -12.838 1.00 15.00 C ATOM 883 CD1 ILE A 55 70.816 -10.158 -15.776 1.00 15.00 C ATOM 0 H ILE A 55 69.251 -13.943 -15.120 1.00 15.00 H new ATOM 0 HA ILE A 55 71.762 -12.331 -14.557 1.00 15.00 H new ATOM 0 HB ILE A 55 68.868 -12.034 -13.592 1.00 15.00 H new ATOM 0 HG12 ILE A 55 69.019 -11.351 -15.949 1.00 15.00 H new ATOM 0 HG13 ILE A 55 68.832 -9.928 -14.943 1.00 15.00 H new ATOM 0 HG21 ILE A 55 69.681 -9.894 -12.609 1.00 15.00 H new ATOM 0 HG22 ILE A 55 70.561 -11.289 -11.942 1.00 15.00 H new ATOM 0 HG23 ILE A 55 71.325 -10.264 -13.180 1.00 15.00 H new ATOM 0 HD11 ILE A 55 70.586 -9.563 -16.660 1.00 15.00 H new ATOM 0 HD12 ILE A 55 71.297 -9.527 -15.029 1.00 15.00 H new ATOM 0 HD13 ILE A 55 71.487 -10.972 -16.050 1.00 15.00 H new ATOM 895 N ALA A 56 72.237 -13.819 -12.649 1.00 15.00 N ATOM 896 CA ALA A 56 72.527 -14.722 -11.494 1.00 15.00 C ATOM 897 C ALA A 56 72.708 -13.902 -10.207 1.00 15.00 C ATOM 898 O ALA A 56 73.040 -12.734 -10.272 1.00 15.00 O ATOM 899 CB ALA A 56 73.830 -15.432 -11.865 1.00 15.00 C ATOM 0 H ALA A 56 73.056 -13.382 -13.071 1.00 15.00 H new ATOM 0 HA ALA A 56 71.716 -15.426 -11.308 1.00 15.00 H new ATOM 0 HB1 ALA A 56 74.112 -16.116 -11.065 1.00 15.00 H new ATOM 0 HB2 ALA A 56 73.688 -15.993 -12.789 1.00 15.00 H new ATOM 0 HB3 ALA A 56 74.619 -14.694 -12.006 1.00 15.00 H new ATOM 905 N PRO A 57 72.483 -14.537 -9.068 1.00 15.00 N ATOM 906 CA PRO A 57 72.662 -13.841 -7.763 1.00 15.00 C ATOM 907 C PRO A 57 74.125 -13.417 -7.574 1.00 15.00 C ATOM 908 O PRO A 57 75.035 -14.101 -8.002 1.00 15.00 O ATOM 909 CB PRO A 57 72.258 -14.886 -6.715 1.00 15.00 C ATOM 910 CG PRO A 57 71.545 -15.965 -7.468 1.00 15.00 C ATOM 911 CD PRO A 57 72.049 -15.929 -8.884 1.00 15.00 C ATOM 0 HA PRO A 57 72.067 -12.930 -7.690 1.00 15.00 H new ATOM 0 HB2 PRO A 57 73.133 -15.282 -6.200 1.00 15.00 H new ATOM 0 HB3 PRO A 57 71.612 -14.447 -5.955 1.00 15.00 H new ATOM 0 HG2 PRO A 57 71.735 -16.939 -7.017 1.00 15.00 H new ATOM 0 HG3 PRO A 57 70.467 -15.806 -7.439 1.00 15.00 H new ATOM 0 HD2 PRO A 57 72.872 -16.627 -9.033 1.00 15.00 H new ATOM 0 HD3 PRO A 57 71.268 -16.201 -9.594 1.00 15.00 H new ATOM 919 N ARG A 58 74.348 -12.295 -6.934 1.00 15.00 N ATOM 920 CA ARG A 58 75.746 -11.819 -6.698 1.00 15.00 C ATOM 921 C ARG A 58 75.974 -11.569 -5.205 1.00 15.00 C ATOM 922 O ARG A 58 75.036 -11.398 -4.448 1.00 15.00 O ATOM 923 CB ARG A 58 75.858 -10.511 -7.483 1.00 15.00 C ATOM 924 CG ARG A 58 75.795 -10.808 -8.983 1.00 15.00 C ATOM 925 CD ARG A 58 76.026 -9.513 -9.770 1.00 15.00 C ATOM 926 NE ARG A 58 77.479 -9.190 -9.588 1.00 15.00 N ATOM 927 CZ ARG A 58 78.095 -8.330 -10.376 1.00 15.00 C ATOM 928 NH1 ARG A 58 77.466 -7.715 -11.352 1.00 15.00 N ATOM 929 NH2 ARG A 58 79.361 -8.081 -10.179 1.00 15.00 N ATOM 0 H ARG A 58 73.618 -11.686 -6.564 1.00 15.00 H new ATOM 0 HA ARG A 58 76.490 -12.550 -7.016 1.00 15.00 H new ATOM 0 HB2 ARG A 58 75.050 -9.835 -7.201 1.00 15.00 H new ATOM 0 HB3 ARG A 58 76.794 -10.008 -7.240 1.00 15.00 H new ATOM 0 HG2 ARG A 58 76.549 -11.548 -9.250 1.00 15.00 H new ATOM 0 HG3 ARG A 58 74.825 -11.234 -9.240 1.00 15.00 H new ATOM 0 HD2 ARG A 58 75.782 -9.645 -10.824 1.00 15.00 H new ATOM 0 HD3 ARG A 58 75.395 -8.708 -9.395 1.00 15.00 H new ATOM 0 HE ARG A 58 78.002 -9.645 -8.839 1.00 15.00 H new ATOM 0 HH11 ARG A 58 76.476 -7.898 -11.516 1.00 15.00 H new ATOM 0 HH12 ARG A 58 77.968 -7.055 -11.946 1.00 15.00 H new ATOM 0 HH21 ARG A 58 79.861 -8.549 -9.423 1.00 15.00 H new ATOM 0 HH22 ARG A 58 79.850 -7.418 -10.781 1.00 15.00 H new ATOM 943 N ASP A 59 77.214 -11.549 -4.780 1.00 15.00 N ATOM 944 CA ASP A 59 77.517 -11.296 -3.335 1.00 15.00 C ATOM 945 C ASP A 59 77.910 -9.828 -3.115 1.00 15.00 C ATOM 946 O ASP A 59 78.668 -9.512 -2.217 1.00 15.00 O ATOM 947 CB ASP A 59 78.680 -12.240 -2.987 1.00 15.00 C ATOM 948 CG ASP A 59 79.912 -11.922 -3.846 1.00 15.00 C ATOM 949 OD1 ASP A 59 80.595 -10.961 -3.534 1.00 15.00 O ATOM 950 OD2 ASP A 59 80.148 -12.646 -4.800 1.00 15.00 O ATOM 0 H ASP A 59 78.031 -11.697 -5.372 1.00 15.00 H new ATOM 0 HA ASP A 59 76.651 -11.481 -2.699 1.00 15.00 H new ATOM 0 HB2 ASP A 59 78.931 -12.142 -1.931 1.00 15.00 H new ATOM 0 HB3 ASP A 59 78.376 -13.274 -3.147 1.00 15.00 H new ATOM 955 N GLU A 60 77.400 -8.934 -3.930 1.00 15.00 N ATOM 956 CA GLU A 60 77.738 -7.486 -3.779 1.00 15.00 C ATOM 957 C GLU A 60 76.457 -6.652 -3.694 1.00 15.00 C ATOM 958 O GLU A 60 75.485 -6.925 -4.374 1.00 15.00 O ATOM 959 CB GLU A 60 78.527 -7.131 -5.041 1.00 15.00 C ATOM 960 CG GLU A 60 79.123 -5.729 -4.896 1.00 15.00 C ATOM 961 CD GLU A 60 79.810 -5.328 -6.201 1.00 15.00 C ATOM 962 OE1 GLU A 60 80.777 -5.978 -6.563 1.00 15.00 O ATOM 963 OE2 GLU A 60 79.359 -4.376 -6.818 1.00 15.00 O ATOM 0 H GLU A 60 76.762 -9.148 -4.696 1.00 15.00 H new ATOM 0 HA GLU A 60 78.308 -7.286 -2.872 1.00 15.00 H new ATOM 0 HB2 GLU A 60 79.321 -7.860 -5.203 1.00 15.00 H new ATOM 0 HB3 GLU A 60 77.875 -7.171 -5.913 1.00 15.00 H new ATOM 0 HG2 GLU A 60 78.339 -5.013 -4.651 1.00 15.00 H new ATOM 0 HG3 GLU A 60 79.840 -5.710 -4.075 1.00 15.00 H new ATOM 970 N THR A 61 76.452 -5.640 -2.860 1.00 15.00 N ATOM 971 CA THR A 61 75.238 -4.779 -2.721 1.00 15.00 C ATOM 972 C THR A 61 75.443 -3.455 -3.463 1.00 15.00 C ATOM 973 O THR A 61 76.560 -3.058 -3.739 1.00 15.00 O ATOM 974 CB THR A 61 75.097 -4.535 -1.218 1.00 15.00 C ATOM 975 OG1 THR A 61 75.171 -5.775 -0.529 1.00 15.00 O ATOM 976 CG2 THR A 61 73.751 -3.868 -0.931 1.00 15.00 C ATOM 0 H THR A 61 77.239 -5.374 -2.269 1.00 15.00 H new ATOM 0 HA THR A 61 74.348 -5.246 -3.143 1.00 15.00 H new ATOM 0 HB THR A 61 75.902 -3.883 -0.879 1.00 15.00 H new ATOM 0 HG1 THR A 61 75.082 -5.620 0.435 1.00 15.00 H new ATOM 0 HG21 THR A 61 73.652 -3.695 0.141 1.00 15.00 H new ATOM 0 HG22 THR A 61 73.697 -2.916 -1.459 1.00 15.00 H new ATOM 0 HG23 THR A 61 72.944 -4.517 -1.270 1.00 15.00 H new ATOM 984 N PHE A 62 74.370 -2.775 -3.786 1.00 15.00 N ATOM 985 CA PHE A 62 74.490 -1.469 -4.504 1.00 15.00 C ATOM 986 C PHE A 62 74.410 -0.312 -3.505 1.00 15.00 C ATOM 987 O PHE A 62 73.517 -0.258 -2.678 1.00 15.00 O ATOM 988 CB PHE A 62 73.302 -1.433 -5.464 1.00 15.00 C ATOM 989 CG PHE A 62 73.335 -2.527 -6.504 1.00 15.00 C ATOM 990 CD1 PHE A 62 74.288 -2.481 -7.550 1.00 15.00 C ATOM 991 CD2 PHE A 62 72.411 -3.599 -6.435 1.00 15.00 C ATOM 992 CE1 PHE A 62 74.318 -3.506 -8.527 1.00 15.00 C ATOM 993 CE2 PHE A 62 72.442 -4.624 -7.411 1.00 15.00 C ATOM 994 CZ PHE A 62 73.395 -4.577 -8.458 1.00 15.00 C ATOM 0 H PHE A 62 73.415 -3.069 -3.583 1.00 15.00 H new ATOM 0 HA PHE A 62 75.439 -1.371 -5.030 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.379 -1.516 -4.890 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.280 -0.466 -5.966 1.00 15.00 H new ATOM 0 HD1 PHE A 62 74.992 -1.664 -7.603 1.00 15.00 H new ATOM 0 HD2 PHE A 62 71.683 -3.634 -5.638 1.00 15.00 H new ATOM 0 HE1 PHE A 62 75.045 -3.470 -9.325 1.00 15.00 H new ATOM 0 HE2 PHE A 62 71.739 -5.442 -7.357 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.417 -5.358 -9.203 1.00 15.00 H new ATOM 1004 N GLU A 63 75.340 0.609 -3.580 1.00 15.00 N ATOM 1005 CA GLU A 63 75.389 1.724 -2.580 1.00 15.00 C ATOM 1006 C GLU A 63 74.184 2.657 -2.744 1.00 15.00 C ATOM 1007 O GLU A 63 73.606 3.103 -1.771 1.00 15.00 O ATOM 1008 CB GLU A 63 76.690 2.478 -2.874 1.00 15.00 C ATOM 1009 CG GLU A 63 76.965 3.484 -1.755 1.00 15.00 C ATOM 1010 CD GLU A 63 78.189 4.330 -2.116 1.00 15.00 C ATOM 1011 OE1 GLU A 63 78.269 4.767 -3.253 1.00 15.00 O ATOM 1012 OE2 GLU A 63 79.023 4.527 -1.249 1.00 15.00 O ATOM 0 H GLU A 63 76.070 0.637 -4.292 1.00 15.00 H new ATOM 0 HA GLU A 63 75.357 1.347 -1.558 1.00 15.00 H new ATOM 0 HB2 GLU A 63 77.519 1.775 -2.956 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.614 2.995 -3.831 1.00 15.00 H new ATOM 0 HG2 GLU A 63 76.097 4.126 -1.608 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.137 2.960 -0.815 1.00 15.00 H new ATOM 1019 N TYR A 64 73.802 2.955 -3.964 1.00 15.00 N ATOM 1020 CA TYR A 64 72.704 3.946 -4.188 1.00 15.00 C ATOM 1021 C TYR A 64 71.966 3.654 -5.499 1.00 15.00 C ATOM 1022 O TYR A 64 72.559 3.628 -6.561 1.00 15.00 O ATOM 1023 CB TYR A 64 73.414 5.298 -4.266 1.00 15.00 C ATOM 1024 CG TYR A 64 72.493 6.485 -4.099 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.494 6.751 -5.066 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.634 7.337 -2.976 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.637 7.867 -4.911 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.777 8.453 -2.822 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.778 8.718 -3.789 1.00 15.00 C ATOM 1030 OH TYR A 64 69.943 9.806 -3.638 1.00 15.00 O ATOM 0 H TYR A 64 74.203 2.555 -4.812 1.00 15.00 H new ATOM 0 HA TYR A 64 71.955 3.913 -3.397 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.184 5.337 -3.496 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.920 5.376 -5.228 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.386 6.102 -5.923 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.395 7.135 -2.237 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.875 8.069 -5.649 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.885 9.103 -1.966 1.00 15.00 H new ATOM 0 HH TYR A 64 70.174 10.284 -2.814 1.00 15.00 H new ATOM 1040 N ILE A 65 70.675 3.433 -5.425 1.00 15.00 N ATOM 1041 CA ILE A 65 69.849 3.314 -6.672 1.00 15.00 C ATOM 1042 C ILE A 65 68.608 4.210 -6.557 1.00 15.00 C ATOM 1043 O ILE A 65 68.081 4.418 -5.478 1.00 15.00 O ATOM 1044 CB ILE A 65 69.454 1.829 -6.772 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.719 0.971 -6.912 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.557 1.611 -8.001 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.350 -0.516 -6.876 1.00 15.00 C ATOM 0 H ILE A 65 70.155 3.329 -4.553 1.00 15.00 H new ATOM 0 HA ILE A 65 70.393 3.633 -7.561 1.00 15.00 H new ATOM 0 HB ILE A 65 68.912 1.542 -5.871 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.226 1.206 -7.848 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.416 1.201 -6.106 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.280 0.559 -8.067 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.656 2.218 -7.906 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.097 1.902 -8.902 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.253 -1.118 -6.976 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.863 -0.747 -5.929 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.671 -0.742 -7.698 1.00 15.00 H new ATOM 1059 N ILE A 66 68.144 4.739 -7.665 1.00 15.00 N ATOM 1060 CA ILE A 66 66.954 5.648 -7.635 1.00 15.00 C ATOM 1061 C ILE A 66 65.751 4.952 -8.287 1.00 15.00 C ATOM 1062 O ILE A 66 65.869 4.346 -9.336 1.00 15.00 O ATOM 1063 CB ILE A 66 67.370 6.889 -8.443 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.582 7.558 -7.786 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.213 7.896 -8.488 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.194 8.572 -8.754 1.00 15.00 C ATOM 0 H ILE A 66 68.540 4.580 -8.591 1.00 15.00 H new ATOM 0 HA ILE A 66 66.660 5.913 -6.620 1.00 15.00 H new ATOM 0 HB ILE A 66 67.626 6.576 -9.455 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.280 8.056 -6.864 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.323 6.806 -7.514 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.515 8.772 -9.062 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.346 7.434 -8.961 1.00 15.00 H new ATOM 0 HG23 ILE A 66 65.954 8.199 -7.473 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.056 9.047 -8.286 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.511 8.062 -9.664 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.452 9.331 -9.003 1.00 15.00 H new ATOM 1078 N PHE A 67 64.599 5.039 -7.666 1.00 15.00 N ATOM 1079 CA PHE A 67 63.360 4.469 -8.279 1.00 15.00 C ATOM 1080 C PHE A 67 62.271 5.543 -8.344 1.00 15.00 C ATOM 1081 O PHE A 67 62.133 6.350 -7.444 1.00 15.00 O ATOM 1082 CB PHE A 67 62.939 3.335 -7.344 1.00 15.00 C ATOM 1083 CG PHE A 67 63.877 2.151 -7.373 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.935 1.320 -8.519 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.700 1.871 -6.254 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.813 0.210 -8.546 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.578 0.761 -6.282 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.635 -0.069 -7.427 1.00 15.00 C ATOM 0 H PHE A 67 64.464 5.482 -6.757 1.00 15.00 H new ATOM 0 HA PHE A 67 63.524 4.115 -9.297 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.881 3.718 -6.325 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.938 3.002 -7.617 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.309 1.534 -9.373 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.657 2.504 -5.380 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.856 -0.424 -9.419 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.205 0.547 -5.429 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.306 -0.915 -7.447 1.00 15.00 H new ATOM 1098 N ARG A 68 61.498 5.557 -9.404 1.00 15.00 N ATOM 1099 CA ARG A 68 60.427 6.591 -9.547 1.00 15.00 C ATOM 1100 C ARG A 68 59.048 5.952 -9.359 1.00 15.00 C ATOM 1101 O ARG A 68 58.855 4.782 -9.629 1.00 15.00 O ATOM 1102 CB ARG A 68 60.577 7.132 -10.972 1.00 15.00 C ATOM 1103 CG ARG A 68 61.918 7.860 -11.108 1.00 15.00 C ATOM 1104 CD ARG A 68 62.014 8.499 -12.497 1.00 15.00 C ATOM 1105 NE ARG A 68 63.441 8.935 -12.635 1.00 15.00 N ATOM 1106 CZ ARG A 68 63.964 9.211 -13.815 1.00 15.00 C ATOM 1107 NH1 ARG A 68 63.259 9.126 -14.920 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.214 9.582 -13.885 1.00 15.00 N ATOM 0 H ARG A 68 61.564 4.895 -10.177 1.00 15.00 H new ATOM 0 HA ARG A 68 60.517 7.381 -8.802 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.522 6.314 -11.690 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.757 7.813 -11.201 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.008 8.625 -10.337 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.740 7.160 -10.960 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.743 7.787 -13.277 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.334 9.346 -12.588 1.00 15.00 H new ATOM 0 HE ARG A 68 64.020 9.020 -11.800 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.281 8.841 -14.880 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.690 9.346 -15.818 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.773 9.655 -13.035 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.632 9.799 -14.790 1.00 15.00 H new ATOM 1122 N GLY A 69 58.087 6.718 -8.896 1.00 15.00 N ATOM 1123 CA GLY A 69 56.712 6.167 -8.664 1.00 15.00 C ATOM 1124 C GLY A 69 56.142 5.566 -9.959 1.00 15.00 C ATOM 1125 O GLY A 69 55.302 4.685 -9.919 1.00 15.00 O ATOM 0 H GLY A 69 58.197 7.706 -8.668 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.747 5.403 -7.887 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.054 6.958 -8.304 1.00 15.00 H new ATOM 1129 N SER A 70 56.592 6.034 -11.101 1.00 15.00 N ATOM 1130 CA SER A 70 56.043 5.522 -12.400 1.00 15.00 C ATOM 1131 C SER A 70 56.417 4.048 -12.603 1.00 15.00 C ATOM 1132 O SER A 70 55.591 3.242 -12.991 1.00 15.00 O ATOM 1133 CB SER A 70 56.686 6.388 -13.483 1.00 15.00 C ATOM 1134 OG SER A 70 58.081 6.118 -13.535 1.00 15.00 O ATOM 0 H SER A 70 57.315 6.748 -11.190 1.00 15.00 H new ATOM 0 HA SER A 70 54.955 5.578 -12.426 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.228 6.181 -14.450 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.516 7.443 -13.269 1.00 15.00 H new ATOM 0 HG SER A 70 58.496 6.671 -14.230 1.00 15.00 H new ATOM 1140 N ASP A 71 57.654 3.693 -12.347 1.00 15.00 N ATOM 1141 CA ASP A 71 58.102 2.284 -12.594 1.00 15.00 C ATOM 1142 C ASP A 71 57.704 1.375 -11.422 1.00 15.00 C ATOM 1143 O ASP A 71 57.431 0.203 -11.604 1.00 15.00 O ATOM 1144 CB ASP A 71 59.632 2.354 -12.748 1.00 15.00 C ATOM 1145 CG ASP A 71 60.282 2.868 -11.457 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.555 4.054 -11.387 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.496 2.064 -10.564 1.00 15.00 O ATOM 0 H ASP A 71 58.372 4.317 -11.978 1.00 15.00 H new ATOM 0 HA ASP A 71 57.634 1.861 -13.483 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.024 1.366 -12.991 1.00 15.00 H new ATOM 0 HB3 ASP A 71 59.890 3.012 -13.578 1.00 15.00 H new ATOM 1152 N ILE A 72 57.671 1.911 -10.224 1.00 15.00 N ATOM 1153 CA ILE A 72 57.306 1.080 -9.029 1.00 15.00 C ATOM 1154 C ILE A 72 55.842 0.628 -9.135 1.00 15.00 C ATOM 1155 O ILE A 72 54.983 1.377 -9.561 1.00 15.00 O ATOM 1156 CB ILE A 72 57.504 1.994 -7.805 1.00 15.00 C ATOM 1157 CG1 ILE A 72 58.968 2.440 -7.718 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.142 1.236 -6.522 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.079 3.652 -6.791 1.00 15.00 C ATOM 0 H ILE A 72 57.881 2.888 -10.021 1.00 15.00 H new ATOM 0 HA ILE A 72 57.919 0.182 -8.954 1.00 15.00 H new ATOM 0 HB ILE A 72 56.858 2.865 -7.913 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.586 1.624 -7.343 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.342 2.693 -8.710 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.285 1.889 -5.661 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.100 0.919 -6.568 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.784 0.360 -6.423 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.120 3.969 -6.729 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.474 4.468 -7.185 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.722 3.383 -5.797 1.00 15.00 H new ATOM 1171 N LYS A 73 55.563 -0.594 -8.751 1.00 15.00 N ATOM 1172 CA LYS A 73 54.160 -1.107 -8.811 1.00 15.00 C ATOM 1173 C LYS A 73 53.566 -1.191 -7.403 1.00 15.00 C ATOM 1174 O LYS A 73 52.422 -0.835 -7.183 1.00 15.00 O ATOM 1175 CB LYS A 73 54.276 -2.501 -9.430 1.00 15.00 C ATOM 1176 CG LYS A 73 52.879 -3.028 -9.765 1.00 15.00 C ATOM 1177 CD LYS A 73 52.988 -4.445 -10.332 1.00 15.00 C ATOM 1178 CE LYS A 73 51.612 -4.914 -10.809 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.896 -5.913 -11.877 1.00 15.00 N ATOM 0 H LYS A 73 56.250 -1.260 -8.397 1.00 15.00 H new ATOM 0 HA LYS A 73 53.506 -0.456 -9.391 1.00 15.00 H new ATOM 0 HB2 LYS A 73 54.887 -2.460 -10.332 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.775 -3.178 -8.737 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.256 -3.030 -8.871 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.396 -2.372 -10.489 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.697 -4.463 -11.160 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.371 -5.124 -9.570 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.042 -5.359 -9.994 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.022 -4.082 -11.193 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 51.000 -6.282 -12.255 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.434 -5.459 -12.643 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 52.453 -6.697 -11.480 1.00 15.00 H new ATOM 1193 N ASP A 74 54.337 -1.661 -6.450 1.00 15.00 N ATOM 1194 CA ASP A 74 53.814 -1.799 -5.053 1.00 15.00 C ATOM 1195 C ASP A 74 54.877 -1.372 -4.037 1.00 15.00 C ATOM 1196 O ASP A 74 56.053 -1.623 -4.218 1.00 15.00 O ATOM 1197 CB ASP A 74 53.492 -3.287 -4.900 1.00 15.00 C ATOM 1198 CG ASP A 74 52.721 -3.511 -3.597 1.00 15.00 C ATOM 1199 OD1 ASP A 74 53.353 -3.834 -2.605 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.511 -3.357 -3.615 1.00 15.00 O ATOM 0 H ASP A 74 55.305 -1.955 -6.580 1.00 15.00 H new ATOM 0 HA ASP A 74 52.942 -1.169 -4.876 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.901 -3.631 -5.749 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.413 -3.871 -4.895 1.00 15.00 H new ATOM 1205 N LEU A 75 54.466 -0.728 -2.970 1.00 15.00 N ATOM 1206 CA LEU A 75 55.443 -0.276 -1.928 1.00 15.00 C ATOM 1207 C LEU A 75 54.961 -0.694 -0.534 1.00 15.00 C ATOM 1208 O LEU A 75 53.844 -0.405 -0.145 1.00 15.00 O ATOM 1209 CB LEU A 75 55.469 1.249 -2.052 1.00 15.00 C ATOM 1210 CG LEU A 75 56.678 1.808 -1.297 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.041 3.182 -1.861 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.335 1.945 0.189 1.00 15.00 C ATOM 0 H LEU A 75 53.492 -0.495 -2.775 1.00 15.00 H new ATOM 0 HA LEU A 75 56.431 -0.715 -2.066 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.519 1.537 -3.102 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.549 1.672 -1.649 1.00 15.00 H new ATOM 0 HG LEU A 75 57.523 1.130 -1.415 1.00 15.00 H new ATOM 0 HD11 LEU A 75 57.902 3.580 -1.324 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.286 3.088 -2.919 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.195 3.859 -1.743 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.196 2.343 0.726 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.489 2.623 0.306 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.075 0.967 0.594 1.00 15.00 H new ATOM 1224 N THR A 76 55.798 -1.368 0.218 1.00 15.00 N ATOM 1225 CA THR A 76 55.423 -1.762 1.612 1.00 15.00 C ATOM 1226 C THR A 76 56.526 -1.345 2.592 1.00 15.00 C ATOM 1227 O THR A 76 57.699 -1.526 2.326 1.00 15.00 O ATOM 1228 CB THR A 76 55.287 -3.285 1.572 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.446 -3.654 0.488 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.682 -3.782 2.885 1.00 15.00 C ATOM 0 H THR A 76 56.729 -1.663 -0.076 1.00 15.00 H new ATOM 0 HA THR A 76 54.503 -1.281 1.945 1.00 15.00 H new ATOM 0 HB THR A 76 56.271 -3.735 1.438 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.358 -4.630 0.459 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.586 -4.867 2.854 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.330 -3.499 3.714 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.698 -3.335 3.024 1.00 15.00 H new ATOM 1238 N VAL A 77 56.154 -0.791 3.721 1.00 15.00 N ATOM 1239 CA VAL A 77 57.178 -0.309 4.705 1.00 15.00 C ATOM 1240 C VAL A 77 57.190 -1.223 5.938 1.00 15.00 C ATOM 1241 O VAL A 77 56.159 -1.712 6.365 1.00 15.00 O ATOM 1242 CB VAL A 77 56.740 1.116 5.084 1.00 15.00 C ATOM 1243 CG1 VAL A 77 57.742 1.724 6.071 1.00 15.00 C ATOM 1244 CG2 VAL A 77 56.686 1.993 3.828 1.00 15.00 C ATOM 0 H VAL A 77 55.184 -0.651 4.005 1.00 15.00 H new ATOM 0 HA VAL A 77 58.186 -0.319 4.291 1.00 15.00 H new ATOM 0 HB VAL A 77 55.753 1.070 5.545 1.00 15.00 H new ATOM 0 HG11 VAL A 77 57.426 2.733 6.335 1.00 15.00 H new ATOM 0 HG12 VAL A 77 57.785 1.110 6.971 1.00 15.00 H new ATOM 0 HG13 VAL A 77 58.729 1.762 5.610 1.00 15.00 H new ATOM 0 HG21 VAL A 77 56.375 3.001 4.101 1.00 15.00 H new ATOM 0 HG22 VAL A 77 57.673 2.030 3.367 1.00 15.00 H new ATOM 0 HG23 VAL A 77 55.971 1.572 3.121 1.00 15.00 H new ATOM 1254 N CYS A 78 58.350 -1.452 6.509 1.00 15.00 N ATOM 1255 CA CYS A 78 58.439 -2.323 7.723 1.00 15.00 C ATOM 1256 C CYS A 78 58.042 -1.526 8.968 1.00 15.00 C ATOM 1257 O CYS A 78 57.412 -2.045 9.871 1.00 15.00 O ATOM 1258 CB CYS A 78 59.904 -2.756 7.808 1.00 15.00 C ATOM 1259 SG CYS A 78 60.280 -3.884 6.443 1.00 15.00 S ATOM 0 H CYS A 78 59.240 -1.072 6.185 1.00 15.00 H new ATOM 0 HA CYS A 78 57.770 -3.181 7.662 1.00 15.00 H new ATOM 0 HB2 CYS A 78 60.555 -1.883 7.763 1.00 15.00 H new ATOM 0 HB3 CYS A 78 60.095 -3.247 8.762 1.00 15.00 H new ATOM 0 HG CYS A 78 60.816 -3.217 5.464 1.00 15.00 H new ATOM 1265 N GLU A 79 58.409 -0.267 9.019 1.00 15.00 N ATOM 1266 CA GLU A 79 57.969 0.602 10.155 1.00 15.00 C ATOM 1267 C GLU A 79 56.565 1.167 9.866 1.00 15.00 C ATOM 1268 O GLU A 79 56.394 1.893 8.907 1.00 15.00 O ATOM 1269 CB GLU A 79 58.998 1.735 10.214 1.00 15.00 C ATOM 1270 CG GLU A 79 60.255 1.247 10.936 1.00 15.00 C ATOM 1271 CD GLU A 79 60.037 1.323 12.448 1.00 15.00 C ATOM 1272 OE1 GLU A 79 59.259 0.532 12.955 1.00 15.00 O ATOM 1273 OE2 GLU A 79 60.653 2.170 13.074 1.00 15.00 O ATOM 0 H GLU A 79 58.994 0.195 8.323 1.00 15.00 H new ATOM 0 HA GLU A 79 57.912 0.057 11.097 1.00 15.00 H new ATOM 0 HB2 GLU A 79 59.250 2.064 9.206 1.00 15.00 H new ATOM 0 HB3 GLU A 79 58.578 2.595 10.735 1.00 15.00 H new ATOM 0 HG2 GLU A 79 60.482 0.222 10.642 1.00 15.00 H new ATOM 0 HG3 GLU A 79 61.112 1.858 10.650 1.00 15.00 H new ATOM 1280 N PRO A 80 55.593 0.822 10.701 1.00 15.00 N ATOM 1281 CA PRO A 80 54.184 1.246 10.444 1.00 15.00 C ATOM 1282 C PRO A 80 54.073 2.784 10.378 1.00 15.00 C ATOM 1283 O PRO A 80 54.216 3.444 11.389 1.00 15.00 O ATOM 1284 CB PRO A 80 53.405 0.702 11.647 1.00 15.00 C ATOM 1285 CG PRO A 80 54.280 -0.348 12.250 1.00 15.00 C ATOM 1286 CD PRO A 80 55.701 0.024 11.934 1.00 15.00 C ATOM 0 HA PRO A 80 53.806 0.873 9.492 1.00 15.00 H new ATOM 0 HB2 PRO A 80 53.190 1.493 12.365 1.00 15.00 H new ATOM 0 HB3 PRO A 80 52.447 0.284 11.337 1.00 15.00 H new ATOM 0 HG2 PRO A 80 54.127 -0.404 13.328 1.00 15.00 H new ATOM 0 HG3 PRO A 80 54.039 -1.330 11.843 1.00 15.00 H new ATOM 0 HD2 PRO A 80 56.153 0.598 12.743 1.00 15.00 H new ATOM 0 HD3 PRO A 80 56.321 -0.860 11.785 1.00 15.00 H new ATOM 1294 N PRO A 81 53.820 3.313 9.191 1.00 15.00 N ATOM 1295 CA PRO A 81 53.656 4.784 9.038 1.00 15.00 C ATOM 1296 C PRO A 81 52.375 5.251 9.740 1.00 15.00 C ATOM 1297 O PRO A 81 51.457 4.478 9.945 1.00 15.00 O ATOM 1298 CB PRO A 81 53.560 5.003 7.521 1.00 15.00 C ATOM 1299 CG PRO A 81 53.939 3.698 6.891 1.00 15.00 C ATOM 1300 CD PRO A 81 53.668 2.622 7.903 1.00 15.00 C ATOM 0 HA PRO A 81 54.476 5.348 9.483 1.00 15.00 H new ATOM 0 HB2 PRO A 81 52.551 5.297 7.232 1.00 15.00 H new ATOM 0 HB3 PRO A 81 54.229 5.801 7.199 1.00 15.00 H new ATOM 0 HG2 PRO A 81 53.361 3.527 5.983 1.00 15.00 H new ATOM 0 HG3 PRO A 81 54.990 3.700 6.604 1.00 15.00 H new ATOM 0 HD2 PRO A 81 52.667 2.205 7.787 1.00 15.00 H new ATOM 0 HD3 PRO A 81 54.371 1.795 7.806 1.00 15.00 H new ATOM 1308 N LYS A 82 52.313 6.508 10.108 1.00 15.00 N ATOM 1309 CA LYS A 82 51.090 7.039 10.783 1.00 15.00 C ATOM 1310 C LYS A 82 50.188 7.751 9.761 1.00 15.00 C ATOM 1311 O LYS A 82 50.653 8.136 8.705 1.00 15.00 O ATOM 1312 CB LYS A 82 51.611 8.032 11.825 1.00 15.00 C ATOM 1313 CG LYS A 82 51.865 7.307 13.150 1.00 15.00 C ATOM 1314 CD LYS A 82 53.251 6.660 13.124 1.00 15.00 C ATOM 1315 CE LYS A 82 53.414 5.753 14.347 1.00 15.00 C ATOM 1316 NZ LYS A 82 53.643 6.683 15.487 1.00 15.00 N ATOM 0 H LYS A 82 53.059 7.190 9.969 1.00 15.00 H new ATOM 0 HA LYS A 82 50.492 6.249 11.238 1.00 15.00 H new ATOM 0 HB2 LYS A 82 52.532 8.495 11.471 1.00 15.00 H new ATOM 0 HB3 LYS A 82 50.887 8.833 11.971 1.00 15.00 H new ATOM 0 HG2 LYS A 82 51.797 8.010 13.980 1.00 15.00 H new ATOM 0 HG3 LYS A 82 51.101 6.547 13.312 1.00 15.00 H new ATOM 0 HD2 LYS A 82 53.377 6.081 12.209 1.00 15.00 H new ATOM 0 HD3 LYS A 82 54.023 7.429 13.123 1.00 15.00 H new ATOM 0 HE2 LYS A 82 52.525 5.143 14.507 1.00 15.00 H new ATOM 0 HE3 LYS A 82 54.252 5.068 14.222 1.00 15.00 H new ATOM 0 HZ1 LYS A 82 53.848 6.135 16.347 1.00 15.00 H new ATOM 0 HZ2 LYS A 82 54.449 7.304 15.272 1.00 15.00 H new ATOM 0 HZ3 LYS A 82 52.792 7.261 15.640 1.00 15.00 H new ATOM 1330 N PRO A 83 48.921 7.908 10.103 1.00 15.00 N ATOM 1331 CA PRO A 83 47.963 8.586 9.185 1.00 15.00 C ATOM 1332 C PRO A 83 48.386 10.041 8.941 1.00 15.00 C ATOM 1333 O PRO A 83 48.943 10.687 9.810 1.00 15.00 O ATOM 1334 CB PRO A 83 46.621 8.527 9.926 1.00 15.00 C ATOM 1335 CG PRO A 83 46.802 7.516 11.015 1.00 15.00 C ATOM 1336 CD PRO A 83 48.267 7.477 11.348 1.00 15.00 C ATOM 0 HA PRO A 83 47.917 8.112 8.205 1.00 15.00 H new ATOM 0 HB2 PRO A 83 46.358 9.502 10.337 1.00 15.00 H new ATOM 0 HB3 PRO A 83 45.815 8.237 9.253 1.00 15.00 H new ATOM 0 HG2 PRO A 83 46.215 7.787 11.893 1.00 15.00 H new ATOM 0 HG3 PRO A 83 46.455 6.535 10.690 1.00 15.00 H new ATOM 0 HD2 PRO A 83 48.507 8.143 12.177 1.00 15.00 H new ATOM 0 HD3 PRO A 83 48.584 6.476 11.641 1.00 15.00 H new ATOM 1344 N ILE A 84 48.123 10.555 7.764 1.00 15.00 N ATOM 1345 CA ILE A 84 48.503 11.967 7.450 1.00 15.00 C ATOM 1346 C ILE A 84 47.590 12.527 6.346 1.00 15.00 C ATOM 1347 O ILE A 84 48.053 13.061 5.354 1.00 15.00 O ATOM 1348 CB ILE A 84 49.973 11.892 6.995 1.00 15.00 C ATOM 1349 CG1 ILE A 84 50.503 13.306 6.729 1.00 15.00 C ATOM 1350 CG2 ILE A 84 50.100 11.050 5.718 1.00 15.00 C ATOM 1351 CD1 ILE A 84 52.025 13.321 6.886 1.00 15.00 C ATOM 0 H ILE A 84 47.660 10.055 7.005 1.00 15.00 H new ATOM 0 HA ILE A 84 48.390 12.635 8.304 1.00 15.00 H new ATOM 0 HB ILE A 84 50.558 11.422 7.785 1.00 15.00 H new ATOM 0 HG12 ILE A 84 50.228 13.625 5.724 1.00 15.00 H new ATOM 0 HG13 ILE A 84 50.049 14.012 7.424 1.00 15.00 H new ATOM 0 HG21 ILE A 84 51.145 11.009 5.412 1.00 15.00 H new ATOM 0 HG22 ILE A 84 49.738 10.040 5.911 1.00 15.00 H new ATOM 0 HG23 ILE A 84 49.507 11.503 4.923 1.00 15.00 H new ATOM 0 HD11 ILE A 84 52.400 14.327 6.697 1.00 15.00 H new ATOM 0 HD12 ILE A 84 52.289 13.020 7.900 1.00 15.00 H new ATOM 0 HD13 ILE A 84 52.471 12.627 6.174 1.00 15.00 H new ATOM 1363 N MET A 85 46.295 12.404 6.518 1.00 15.00 N ATOM 1364 CA MET A 85 45.340 12.924 5.493 1.00 15.00 C ATOM 1365 C MET A 85 44.186 13.665 6.174 1.00 15.00 C ATOM 1366 O MET A 85 43.654 14.580 5.567 1.00 15.00 O ATOM 1367 CB MET A 85 44.825 11.682 4.764 1.00 15.00 C ATOM 1368 CG MET A 85 44.031 12.107 3.528 1.00 15.00 C ATOM 1369 SD MET A 85 43.270 10.649 2.770 1.00 15.00 S ATOM 1370 CE MET A 85 41.628 10.841 3.508 1.00 15.00 C ATOM 1371 OXT MET A 85 43.852 13.302 7.290 1.00 15.00 O ATOM 0 H MET A 85 45.859 11.964 7.328 1.00 15.00 H new ATOM 0 HA MET A 85 45.811 13.630 4.810 1.00 15.00 H new ATOM 0 HB2 MET A 85 45.661 11.047 4.471 1.00 15.00 H new ATOM 0 HB3 MET A 85 44.194 11.092 5.429 1.00 15.00 H new ATOM 0 HG2 MET A 85 43.263 12.828 3.806 1.00 15.00 H new ATOM 0 HG3 MET A 85 44.688 12.601 2.812 1.00 15.00 H new ATOM 0 HE1 MET A 85 40.980 10.032 3.170 1.00 15.00 H new ATOM 0 HE2 MET A 85 41.711 10.809 4.594 1.00 15.00 H new ATOM 0 HE3 MET A 85 41.202 11.797 3.205 1.00 15.00 H new TER 1381 MET A 85