USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 19 SER OG : rot -139:sc= -0.535 USER MOD Set 1.2: A 31 ASN : amide:sc=-0.00219 K(o=-0.54,f=-3!) USER MOD Set 2.1: A 23 CYS SG : rot 170:sc= -0.238 USER MOD Set 2.2: A 26 CYS SG : rot -60:sc= 0.645 USER MOD Set 2.3: A 28 SER OG : rot 113:sc= 1.23 USER MOD Set 2.4: A 54 ASN : amide:sc= -3.03 K(o=-7.4,f=-12!) USER MOD Set 2.5: A 55 HIS : no HE2:sc= -4.83! C(o=-7.4!,f=-9.7!) USER MOD Set 2.6: A 58 CYS SG : rot -148:sc= -1.19 USER MOD Set 3.1: A 25 THR OG1 : rot 160:sc= -0.386 USER MOD Set 3.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 73:sc= 0.332 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -107:sc= -0.832 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0479 (180deg=-0.369) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 0.789 (180deg=0.0777) USER MOD Single : A 34 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.81) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -142:sc= 0 (180deg=-0.0326) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.496) USER MOD Single : A 65 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.83) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= -0.086 (180deg=-0.506) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -18:sc= 0.539! USER MOD Single : A 83 GLN : amide:sc= 1.04 K(o=1,f=-0.96) USER MOD Single : A 84 GLN : amide:sc= -6.21! C(o=-6.2!,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 2:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.998 11.637 4.114 1.00 0.00 N ATOM 84 CA LYS A 9 9.982 10.551 3.142 1.00 0.00 C ATOM 85 C LYS A 9 8.892 10.770 2.098 1.00 0.00 C ATOM 86 O LYS A 9 7.767 11.160 2.413 1.00 0.00 O ATOM 87 CB LYS A 9 9.766 9.210 3.847 1.00 0.00 C ATOM 88 CG LYS A 9 11.057 8.507 4.229 1.00 0.00 C ATOM 89 CD LYS A 9 10.906 7.727 5.524 1.00 0.00 C ATOM 90 CE LYS A 9 11.324 8.558 6.727 1.00 0.00 C ATOM 91 NZ LYS A 9 12.770 8.391 7.041 1.00 0.00 N ATOM 0 HA LYS A 9 10.947 10.537 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.172 9.374 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.186 8.556 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.354 7.830 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.854 9.242 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.869 7.411 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.512 6.822 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.114 9.610 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.729 8.269 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.015 8.973 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.966 7.392 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.340 8.691 6.224 1.00 0.00 H new ATOM 105 N PRO A 10 9.229 10.513 0.826 1.00 0.00 N ATOM 106 CA PRO A 10 8.291 10.674 -0.290 1.00 0.00 C ATOM 107 C PRO A 10 7.182 9.628 -0.269 1.00 0.00 C ATOM 108 O PRO A 10 6.000 9.962 -0.345 1.00 0.00 O ATOM 109 CB PRO A 10 9.176 10.491 -1.526 1.00 0.00 C ATOM 110 CG PRO A 10 10.316 9.656 -1.056 1.00 0.00 C ATOM 111 CD PRO A 10 10.551 10.045 0.378 1.00 0.00 C ATOM 0 HA PRO A 10 7.777 11.634 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.632 10.000 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.521 11.450 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.083 8.595 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.206 9.835 -1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.900 9.200 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.305 10.828 0.464 1.00 0.00 H new ATOM 119 N TRP A 11 7.570 8.362 -0.166 1.00 0.00 N ATOM 120 CA TRP A 11 6.607 7.267 -0.136 1.00 0.00 C ATOM 121 C TRP A 11 6.330 6.826 1.297 1.00 0.00 C ATOM 122 O TRP A 11 7.169 6.996 2.182 1.00 0.00 O ATOM 123 CB TRP A 11 7.123 6.084 -0.956 1.00 0.00 C ATOM 124 CG TRP A 11 7.155 6.351 -2.430 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.204 6.845 -3.151 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.088 6.142 -3.362 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.854 6.955 -4.476 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.562 6.529 -4.631 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.780 5.663 -3.249 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.772 6.453 -5.775 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.997 5.588 -4.385 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.495 5.981 -5.635 1.00 0.00 C ATOM 0 H TRP A 11 8.545 8.068 -0.102 1.00 0.00 H new ATOM 0 HA TRP A 11 5.675 7.624 -0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.127 5.828 -0.619 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.492 5.216 -0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.167 7.110 -2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.459 7.298 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.388 5.357 -2.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.153 6.756 -6.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.984 5.220 -4.309 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.859 5.910 -6.505 1.00 0.00 H new ATOM 143 N ARG A 12 5.148 6.259 1.519 1.00 0.00 N ATOM 144 CA ARG A 12 4.761 5.795 2.846 1.00 0.00 C ATOM 145 C ARG A 12 4.180 4.386 2.780 1.00 0.00 C ATOM 146 O ARG A 12 3.603 3.988 1.768 1.00 0.00 O ATOM 147 CB ARG A 12 3.741 6.751 3.466 1.00 0.00 C ATOM 148 CG ARG A 12 2.321 6.534 2.968 1.00 0.00 C ATOM 149 CD ARG A 12 1.393 7.648 3.426 1.00 0.00 C ATOM 150 NE ARG A 12 1.099 7.562 4.854 1.00 0.00 N ATOM 151 CZ ARG A 12 1.852 8.120 5.795 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.940 8.800 5.461 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.518 7.998 7.073 1.00 0.00 N ATOM 0 H ARG A 12 4.443 6.110 0.797 1.00 0.00 H new ATOM 0 HA ARG A 12 5.654 5.772 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.759 6.635 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.040 7.777 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.320 6.483 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.949 5.576 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.850 8.613 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.462 7.600 2.861 1.00 0.00 H new ATOM 0 HE ARG A 12 0.269 7.045 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.200 8.896 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.517 9.228 6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.682 7.475 7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.097 8.427 7.795 1.00 0.00 H new ATOM 167 N ALA A 13 4.336 3.635 3.866 1.00 0.00 N ATOM 168 CA ALA A 13 3.826 2.272 3.932 1.00 0.00 C ATOM 169 C ALA A 13 3.053 2.037 5.226 1.00 0.00 C ATOM 170 O ALA A 13 3.532 2.360 6.312 1.00 0.00 O ATOM 171 CB ALA A 13 4.968 1.274 3.809 1.00 0.00 C ATOM 0 H ALA A 13 4.812 3.949 4.712 1.00 0.00 H new ATOM 0 HA ALA A 13 3.140 2.127 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.572 0.260 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.476 1.418 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.676 1.429 4.624 1.00 0.00 H new ATOM 177 N GLU A 14 1.855 1.474 5.101 1.00 0.00 N ATOM 178 CA GLU A 14 1.017 1.198 6.261 1.00 0.00 C ATOM 179 C GLU A 14 -0.244 0.441 5.853 1.00 0.00 C ATOM 180 O GLU A 14 -0.768 0.631 4.755 1.00 0.00 O ATOM 181 CB GLU A 14 0.636 2.502 6.965 1.00 0.00 C ATOM 182 CG GLU A 14 -0.157 3.457 6.089 1.00 0.00 C ATOM 183 CD GLU A 14 -0.230 4.857 6.669 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.831 5.402 7.039 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.348 5.406 6.753 1.00 0.00 O ATOM 0 H GLU A 14 1.444 1.201 4.209 1.00 0.00 H new ATOM 0 HA GLU A 14 1.588 0.575 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.051 2.267 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.544 3.001 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.299 3.501 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.167 3.069 5.957 1.00 0.00 H new ATOM 192 N TYR A 15 -0.726 -0.418 6.745 1.00 0.00 N ATOM 193 CA TYR A 15 -1.923 -1.206 6.478 1.00 0.00 C ATOM 194 C TYR A 15 -3.183 -0.373 6.691 1.00 0.00 C ATOM 195 O TYR A 15 -3.383 0.208 7.757 1.00 0.00 O ATOM 196 CB TYR A 15 -1.957 -2.442 7.380 1.00 0.00 C ATOM 197 CG TYR A 15 -1.027 -3.545 6.930 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.399 -4.426 5.922 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.224 -3.708 7.513 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.553 -5.437 5.508 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.077 -4.715 7.105 1.00 0.00 C ATOM 202 CZ TYR A 15 0.684 -5.577 6.102 1.00 0.00 C ATOM 203 OH TYR A 15 1.531 -6.582 5.693 1.00 0.00 O ATOM 0 H TYR A 15 -0.306 -0.586 7.659 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.892 -1.525 5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.693 -2.148 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.976 -2.828 7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.366 -4.319 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.535 -3.036 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.859 -6.114 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.046 -4.827 7.569 1.00 0.00 H new ATOM 0 HH TYR A 15 1.905 -6.358 4.815 1.00 0.00 H new ATOM 213 N ALA A 16 -4.029 -0.320 5.668 1.00 0.00 N ATOM 214 CA ALA A 16 -5.271 0.439 5.742 1.00 0.00 C ATOM 215 C ALA A 16 -6.093 0.029 6.959 1.00 0.00 C ATOM 216 O ALA A 16 -6.039 -1.119 7.400 1.00 0.00 O ATOM 217 CB ALA A 16 -6.081 0.252 4.468 1.00 0.00 C ATOM 0 H ALA A 16 -3.877 -0.794 4.778 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.017 1.494 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.006 0.825 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.501 0.601 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.317 -0.804 4.339 1.00 0.00 H new ATOM 223 N LYS A 17 -6.854 0.975 7.499 1.00 0.00 N ATOM 224 CA LYS A 17 -7.689 0.713 8.665 1.00 0.00 C ATOM 225 C LYS A 17 -9.153 0.566 8.264 1.00 0.00 C ATOM 226 O LYS A 17 -9.943 -0.050 8.979 1.00 0.00 O ATOM 227 CB LYS A 17 -7.540 1.842 9.688 1.00 0.00 C ATOM 228 CG LYS A 17 -6.141 1.956 10.268 1.00 0.00 C ATOM 229 CD LYS A 17 -5.986 3.214 11.105 1.00 0.00 C ATOM 230 CE LYS A 17 -6.504 3.010 12.520 1.00 0.00 C ATOM 231 NZ LYS A 17 -6.779 4.305 13.203 1.00 0.00 N ATOM 0 H LYS A 17 -6.910 1.931 7.147 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.358 -0.223 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.806 2.787 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.249 1.681 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.928 1.081 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.410 1.963 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.935 3.502 11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.526 4.035 10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.416 2.414 12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.772 2.444 13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.130 4.123 14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.903 4.863 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.496 4.835 12.667 1.00 0.00 H new ATOM 245 N SER A 18 -9.508 1.136 7.117 1.00 0.00 N ATOM 246 CA SER A 18 -10.878 1.070 6.622 1.00 0.00 C ATOM 247 C SER A 18 -10.901 0.904 5.106 1.00 0.00 C ATOM 248 O SER A 18 -9.896 1.128 4.431 1.00 0.00 O ATOM 249 CB SER A 18 -11.648 2.331 7.021 1.00 0.00 C ATOM 250 OG SER A 18 -10.938 3.500 6.651 1.00 0.00 O ATOM 0 H SER A 18 -8.866 1.649 6.513 1.00 0.00 H new ATOM 0 HA SER A 18 -11.359 0.202 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.627 2.330 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.819 2.331 8.097 1.00 0.00 H new ATOM 0 HG SER A 18 -11.451 4.292 6.915 1.00 0.00 H new ATOM 256 N SER A 19 -12.055 0.510 4.577 1.00 0.00 N ATOM 257 CA SER A 19 -12.210 0.310 3.141 1.00 0.00 C ATOM 258 C SER A 19 -12.844 1.534 2.487 1.00 0.00 C ATOM 259 O SER A 19 -13.619 1.413 1.538 1.00 0.00 O ATOM 260 CB SER A 19 -13.063 -0.929 2.866 1.00 0.00 C ATOM 261 OG SER A 19 -12.676 -2.010 3.696 1.00 0.00 O ATOM 0 H SER A 19 -12.897 0.323 5.122 1.00 0.00 H new ATOM 0 HA SER A 19 -11.219 0.162 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.114 -0.695 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.965 -1.217 1.819 1.00 0.00 H new ATOM 0 HG SER A 19 -12.680 -2.840 3.175 1.00 0.00 H new ATOM 267 N ARG A 20 -12.510 2.713 3.003 1.00 0.00 N ATOM 268 CA ARG A 20 -13.047 3.959 2.471 1.00 0.00 C ATOM 269 C ARG A 20 -12.180 4.482 1.329 1.00 0.00 C ATOM 270 O ARG A 20 -12.692 4.964 0.319 1.00 0.00 O ATOM 271 CB ARG A 20 -13.141 5.012 3.577 1.00 0.00 C ATOM 272 CG ARG A 20 -14.133 4.657 4.673 1.00 0.00 C ATOM 273 CD ARG A 20 -14.575 5.891 5.445 1.00 0.00 C ATOM 274 NE ARG A 20 -15.141 5.548 6.747 1.00 0.00 N ATOM 275 CZ ARG A 20 -15.663 6.442 7.579 1.00 0.00 C ATOM 276 NH1 ARG A 20 -15.691 7.725 7.247 1.00 0.00 N ATOM 277 NH2 ARG A 20 -16.158 6.052 8.747 1.00 0.00 N ATOM 0 H ARG A 20 -11.870 2.831 3.789 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.046 3.758 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.155 5.149 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.427 5.966 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.004 4.170 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.679 3.941 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.723 6.556 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.315 6.438 4.861 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.135 4.569 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.311 8.028 6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.093 8.409 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.138 5.066 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.559 6.739 9.386 1.00 0.00 H new ATOM 291 N SER A 21 -10.866 4.382 1.498 1.00 0.00 N ATOM 292 CA SER A 21 -9.927 4.849 0.484 1.00 0.00 C ATOM 293 C SER A 21 -10.006 3.981 -0.769 1.00 0.00 C ATOM 294 O SER A 21 -10.271 2.782 -0.691 1.00 0.00 O ATOM 295 CB SER A 21 -8.501 4.839 1.036 1.00 0.00 C ATOM 296 OG SER A 21 -8.020 3.515 1.185 1.00 0.00 O ATOM 0 H SER A 21 -10.427 3.982 2.327 1.00 0.00 H new ATOM 0 HA SER A 21 -10.197 5.870 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.845 5.394 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.477 5.348 1.999 1.00 0.00 H new ATOM 0 HG SER A 21 -7.992 3.282 2.137 1.00 0.00 H new ATOM 302 N SER A 22 -9.774 4.597 -1.924 1.00 0.00 N ATOM 303 CA SER A 22 -9.821 3.883 -3.194 1.00 0.00 C ATOM 304 C SER A 22 -8.576 4.172 -4.026 1.00 0.00 C ATOM 305 O SER A 22 -8.146 5.320 -4.146 1.00 0.00 O ATOM 306 CB SER A 22 -11.075 4.278 -3.978 1.00 0.00 C ATOM 307 OG SER A 22 -12.190 4.425 -3.116 1.00 0.00 O ATOM 0 H SER A 22 -9.552 5.589 -2.006 1.00 0.00 H new ATOM 0 HA SER A 22 -9.855 2.814 -2.981 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.896 5.213 -4.509 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.291 3.520 -4.731 1.00 0.00 H new ATOM 0 HG SER A 22 -12.978 4.679 -3.641 1.00 0.00 H new ATOM 313 N CYS A 23 -7.999 3.121 -4.600 1.00 0.00 N ATOM 314 CA CYS A 23 -6.802 3.258 -5.421 1.00 0.00 C ATOM 315 C CYS A 23 -7.050 4.207 -6.590 1.00 0.00 C ATOM 316 O CYS A 23 -8.195 4.472 -6.957 1.00 0.00 O ATOM 317 CB CYS A 23 -6.358 1.891 -5.945 1.00 0.00 C ATOM 318 SG CYS A 23 -4.829 1.935 -6.934 1.00 0.00 S ATOM 0 H CYS A 23 -8.342 2.164 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.011 3.675 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.212 1.220 -5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.159 1.469 -6.552 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.412 0.721 -7.143 1.00 0.00 H new ATOM 323 N LYS A 24 -5.969 4.715 -7.172 1.00 0.00 N ATOM 324 CA LYS A 24 -6.068 5.633 -8.301 1.00 0.00 C ATOM 325 C LYS A 24 -5.593 4.966 -9.588 1.00 0.00 C ATOM 326 O LYS A 24 -6.054 5.301 -10.680 1.00 0.00 O ATOM 327 CB LYS A 24 -5.242 6.893 -8.033 1.00 0.00 C ATOM 328 CG LYS A 24 -5.641 7.624 -6.763 1.00 0.00 C ATOM 329 CD LYS A 24 -6.810 8.564 -7.005 1.00 0.00 C ATOM 330 CE LYS A 24 -7.055 9.470 -5.808 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.832 8.781 -4.740 1.00 0.00 N ATOM 0 H LYS A 24 -5.014 4.507 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.115 5.910 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.189 6.620 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.345 7.571 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.909 6.900 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.790 8.190 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.613 9.172 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.708 7.983 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.099 9.804 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.593 10.361 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.978 9.432 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.754 8.485 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.307 7.945 -4.413 1.00 0.00 H new ATOM 345 N THR A 25 -4.671 4.018 -9.453 1.00 0.00 N ATOM 346 CA THR A 25 -4.135 3.303 -10.604 1.00 0.00 C ATOM 347 C THR A 25 -5.195 2.411 -11.239 1.00 0.00 C ATOM 348 O THR A 25 -5.327 2.360 -12.463 1.00 0.00 O ATOM 349 CB THR A 25 -2.920 2.440 -10.214 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.756 3.263 -10.085 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.670 1.357 -11.253 1.00 0.00 C ATOM 0 H THR A 25 -4.280 3.728 -8.557 1.00 0.00 H new ATOM 0 HA THR A 25 -3.819 4.057 -11.325 1.00 0.00 H new ATOM 0 HB THR A 25 -3.133 1.962 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.085 2.798 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.807 0.760 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.547 0.715 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.476 1.819 -12.221 1.00 0.00 H new ATOM 359 N CYS A 26 -5.950 1.708 -10.401 1.00 0.00 N ATOM 360 CA CYS A 26 -6.999 0.817 -10.881 1.00 0.00 C ATOM 361 C CYS A 26 -8.380 1.398 -10.592 1.00 0.00 C ATOM 362 O CYS A 26 -9.383 0.956 -11.154 1.00 0.00 O ATOM 363 CB CYS A 26 -6.867 -0.560 -10.226 1.00 0.00 C ATOM 364 SG CYS A 26 -7.135 -0.555 -8.424 1.00 0.00 S ATOM 0 H CYS A 26 -5.855 1.738 -9.386 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.886 0.712 -11.960 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.583 -1.240 -10.687 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.873 -0.955 -10.434 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.254 0.214 -7.856 1.00 0.00 H new ATOM 369 N LYS A 27 -8.425 2.393 -9.713 1.00 0.00 N ATOM 370 CA LYS A 27 -9.682 3.038 -9.350 1.00 0.00 C ATOM 371 C LYS A 27 -10.583 2.079 -8.579 1.00 0.00 C ATOM 372 O LYS A 27 -11.795 2.045 -8.791 1.00 0.00 O ATOM 373 CB LYS A 27 -10.404 3.537 -10.603 1.00 0.00 C ATOM 374 CG LYS A 27 -9.533 4.391 -11.508 1.00 0.00 C ATOM 375 CD LYS A 27 -9.320 5.780 -10.928 1.00 0.00 C ATOM 376 CE LYS A 27 -8.905 6.775 -12.001 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.010 7.045 -12.962 1.00 0.00 N ATOM 0 H LYS A 27 -7.605 2.771 -9.238 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.452 3.888 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.769 2.679 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.278 4.115 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.569 3.904 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.998 4.473 -12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.239 6.121 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.554 5.738 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.596 7.709 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.040 6.388 -12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.847 7.959 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.041 6.290 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.915 7.074 -12.451 1.00 0.00 H new ATOM 391 N SER A 28 -9.983 1.301 -7.683 1.00 0.00 N ATOM 392 CA SER A 28 -10.731 0.339 -6.883 1.00 0.00 C ATOM 393 C SER A 28 -10.678 0.706 -5.403 1.00 0.00 C ATOM 394 O SER A 28 -10.012 1.665 -5.012 1.00 0.00 O ATOM 395 CB SER A 28 -10.176 -1.071 -7.091 1.00 0.00 C ATOM 396 OG SER A 28 -9.909 -1.317 -8.460 1.00 0.00 O ATOM 0 H SER A 28 -8.981 1.319 -7.493 1.00 0.00 H new ATOM 0 HA SER A 28 -11.771 0.363 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.261 -1.194 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.891 -1.805 -6.719 1.00 0.00 H new ATOM 0 HG SER A 28 -8.942 -1.403 -8.594 1.00 0.00 H new ATOM 402 N VAL A 29 -11.384 -0.065 -4.582 1.00 0.00 N ATOM 403 CA VAL A 29 -11.417 0.176 -3.145 1.00 0.00 C ATOM 404 C VAL A 29 -10.305 -0.586 -2.434 1.00 0.00 C ATOM 405 O VAL A 29 -10.038 -1.747 -2.744 1.00 0.00 O ATOM 406 CB VAL A 29 -12.773 -0.232 -2.538 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.597 -0.692 -1.099 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.762 0.921 -2.621 1.00 0.00 C ATOM 0 H VAL A 29 -11.941 -0.863 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.270 1.246 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.173 -1.066 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.565 -0.976 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.925 -1.550 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.175 0.120 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.714 0.615 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.371 1.776 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.911 1.199 -3.665 1.00 0.00 H new ATOM 418 N ILE A 30 -9.659 0.075 -1.479 1.00 0.00 N ATOM 419 CA ILE A 30 -8.576 -0.541 -0.723 1.00 0.00 C ATOM 420 C ILE A 30 -9.039 -0.939 0.675 1.00 0.00 C ATOM 421 O ILE A 30 -8.930 -0.160 1.621 1.00 0.00 O ATOM 422 CB ILE A 30 -7.366 0.404 -0.601 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.840 0.777 -1.989 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.269 -0.244 0.231 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.096 2.093 -2.019 1.00 0.00 C ATOM 0 H ILE A 30 -9.867 1.037 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.276 -1.433 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.686 1.316 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.178 -0.014 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.677 0.826 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.421 0.436 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.650 -0.463 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.949 -1.170 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.752 2.293 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.761 2.894 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.238 2.041 -1.349 1.00 0.00 H new ATOM 437 N ASN A 31 -9.555 -2.158 0.797 1.00 0.00 N ATOM 438 CA ASN A 31 -10.033 -2.661 2.079 1.00 0.00 C ATOM 439 C ASN A 31 -8.925 -2.619 3.127 1.00 0.00 C ATOM 440 O ASN A 31 -7.742 -2.720 2.801 1.00 0.00 O ATOM 441 CB ASN A 31 -10.554 -4.091 1.928 1.00 0.00 C ATOM 442 CG ASN A 31 -11.735 -4.179 0.981 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.888 -4.062 1.398 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.453 -4.388 -0.299 1.00 0.00 N ATOM 0 H ASN A 31 -9.653 -2.815 0.023 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.848 -2.018 2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.751 -4.731 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.847 -4.473 2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.207 -4.458 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.482 -4.479 -0.599 1.00 0.00 H new ATOM 451 N LYS A 32 -9.316 -2.471 4.388 1.00 0.00 N ATOM 452 CA LYS A 32 -8.358 -2.418 5.486 1.00 0.00 C ATOM 453 C LYS A 32 -7.606 -3.738 5.616 1.00 0.00 C ATOM 454 O LYS A 32 -8.020 -4.755 5.060 1.00 0.00 O ATOM 455 CB LYS A 32 -9.073 -2.094 6.800 1.00 0.00 C ATOM 456 CG LYS A 32 -9.726 -3.301 7.450 1.00 0.00 C ATOM 457 CD LYS A 32 -11.040 -2.933 8.118 1.00 0.00 C ATOM 458 CE LYS A 32 -10.837 -2.555 9.578 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.853 -1.572 10.043 1.00 0.00 N ATOM 0 H LYS A 32 -10.291 -2.386 4.675 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.638 -1.630 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.356 -1.660 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.834 -1.336 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.902 -4.070 6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.048 -3.728 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.499 -2.100 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.731 -3.773 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.890 -3.451 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.839 -2.136 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.004 -1.686 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.517 -0.607 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.749 -1.735 9.541 1.00 0.00 H new ATOM 473 N GLU A 33 -6.502 -3.715 6.356 1.00 0.00 N ATOM 474 CA GLU A 33 -5.694 -4.912 6.559 1.00 0.00 C ATOM 475 C GLU A 33 -4.931 -5.275 5.288 1.00 0.00 C ATOM 476 O GLU A 33 -4.573 -6.433 5.076 1.00 0.00 O ATOM 477 CB GLU A 33 -6.578 -6.084 6.988 1.00 0.00 C ATOM 478 CG GLU A 33 -7.679 -5.693 7.960 1.00 0.00 C ATOM 479 CD GLU A 33 -8.014 -6.800 8.940 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.194 -7.056 9.847 1.00 0.00 O ATOM 481 OE2 GLU A 33 -9.094 -7.411 8.800 1.00 0.00 O ATOM 0 H GLU A 33 -6.147 -2.881 6.825 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.972 -4.703 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.029 -6.531 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.953 -6.850 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.372 -4.805 8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.575 -5.426 7.400 1.00 0.00 H new ATOM 488 N ASN A 34 -4.685 -4.277 4.446 1.00 0.00 N ATOM 489 CA ASN A 34 -3.966 -4.490 3.196 1.00 0.00 C ATOM 490 C ASN A 34 -2.771 -3.548 3.088 1.00 0.00 C ATOM 491 O ASN A 34 -2.843 -2.388 3.494 1.00 0.00 O ATOM 492 CB ASN A 34 -4.902 -4.284 2.003 1.00 0.00 C ATOM 493 CG ASN A 34 -5.657 -5.548 1.636 1.00 0.00 C ATOM 494 OD1 ASN A 34 -5.097 -6.644 1.646 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.935 -5.399 1.308 1.00 0.00 N ATOM 0 H ASN A 34 -4.973 -3.312 4.607 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.599 -5.516 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.615 -3.493 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.322 -3.948 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.494 -6.213 1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.358 -4.471 1.313 1.00 0.00 H new ATOM 502 N PHE A 35 -1.673 -4.054 2.536 1.00 0.00 N ATOM 503 CA PHE A 35 -0.462 -3.258 2.375 1.00 0.00 C ATOM 504 C PHE A 35 -0.556 -2.370 1.137 1.00 0.00 C ATOM 505 O PHE A 35 -0.465 -2.850 0.007 1.00 0.00 O ATOM 506 CB PHE A 35 0.763 -4.169 2.271 1.00 0.00 C ATOM 507 CG PHE A 35 1.951 -3.505 1.637 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.159 -2.143 1.780 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.861 -4.243 0.896 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.253 -1.529 1.199 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.956 -3.635 0.312 1.00 0.00 C ATOM 512 CZ PHE A 35 4.151 -2.276 0.463 1.00 0.00 C ATOM 0 H PHE A 35 -1.597 -5.012 2.193 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.358 -2.619 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.037 -4.511 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.500 -5.054 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.458 -1.554 2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.712 -5.306 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.405 -0.467 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.658 -4.222 -0.262 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.005 -1.798 0.006 1.00 0.00 H new ATOM 522 N ARG A 36 -0.740 -1.072 1.360 1.00 0.00 N ATOM 523 CA ARG A 36 -0.848 -0.117 0.264 1.00 0.00 C ATOM 524 C ARG A 36 0.316 0.869 0.286 1.00 0.00 C ATOM 525 O ARG A 36 1.145 0.848 1.196 1.00 0.00 O ATOM 526 CB ARG A 36 -2.174 0.641 0.349 1.00 0.00 C ATOM 527 CG ARG A 36 -2.409 1.308 1.695 1.00 0.00 C ATOM 528 CD ARG A 36 -3.557 2.304 1.630 1.00 0.00 C ATOM 529 NE ARG A 36 -3.700 3.056 2.874 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.691 3.909 3.107 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.622 4.117 2.185 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.753 4.556 4.264 1.00 0.00 N ATOM 0 H ARG A 36 -0.817 -0.659 2.289 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.814 -0.672 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.200 1.400 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.992 -0.051 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.627 0.548 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.500 1.819 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.390 2.996 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.485 1.774 1.418 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.001 2.919 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.578 3.621 1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.382 4.773 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.039 4.398 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.514 5.211 4.442 1.00 0.00 H new ATOM 546 N LEU A 37 0.371 1.733 -0.722 1.00 0.00 N ATOM 547 CA LEU A 37 1.434 2.728 -0.820 1.00 0.00 C ATOM 548 C LEU A 37 0.858 4.117 -1.073 1.00 0.00 C ATOM 549 O LEU A 37 -0.063 4.282 -1.872 1.00 0.00 O ATOM 550 CB LEU A 37 2.407 2.355 -1.940 1.00 0.00 C ATOM 551 CG LEU A 37 3.361 1.197 -1.643 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.193 0.862 -2.871 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.261 1.538 -0.464 1.00 0.00 C ATOM 0 H LEU A 37 -0.308 1.765 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 37 1.971 2.745 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.828 2.103 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.001 3.235 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 37 2.768 0.321 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.866 0.036 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.534 0.575 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.777 1.734 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.933 0.703 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.846 2.428 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.649 1.728 0.418 1.00 0.00 H new ATOM 565 N GLY A 38 1.408 5.114 -0.388 1.00 0.00 N ATOM 566 CA GLY A 38 0.938 6.477 -0.554 1.00 0.00 C ATOM 567 C GLY A 38 2.043 7.425 -0.975 1.00 0.00 C ATOM 568 O GLY A 38 3.012 7.626 -0.242 1.00 0.00 O ATOM 0 H GLY A 38 2.171 5.002 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.144 6.496 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.503 6.825 0.383 1.00 0.00 H new ATOM 572 N LYS A 39 1.901 8.009 -2.160 1.00 0.00 N ATOM 573 CA LYS A 39 2.895 8.941 -2.679 1.00 0.00 C ATOM 574 C LYS A 39 2.678 10.340 -2.111 1.00 0.00 C ATOM 575 O LYS A 39 1.719 11.025 -2.471 1.00 0.00 O ATOM 576 CB LYS A 39 2.835 8.984 -4.207 1.00 0.00 C ATOM 577 CG LYS A 39 3.959 9.788 -4.838 1.00 0.00 C ATOM 578 CD LYS A 39 4.265 9.308 -6.247 1.00 0.00 C ATOM 579 CE LYS A 39 5.668 9.705 -6.678 1.00 0.00 C ATOM 580 NZ LYS A 39 5.720 11.108 -7.176 1.00 0.00 N ATOM 0 H LYS A 39 1.106 7.853 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 39 3.880 8.592 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.868 7.965 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.879 9.410 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.683 10.842 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.855 9.708 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.162 8.224 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.537 9.728 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.352 9.593 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.012 9.029 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.693 11.340 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.087 11.209 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.416 11.756 -6.421 1.00 0.00 H new ATOM 594 N LEU A 40 3.573 10.759 -1.224 1.00 0.00 N ATOM 595 CA LEU A 40 3.480 12.078 -0.608 1.00 0.00 C ATOM 596 C LEU A 40 3.941 13.164 -1.574 1.00 0.00 C ATOM 597 O LEU A 40 5.134 13.306 -1.843 1.00 0.00 O ATOM 598 CB LEU A 40 4.320 12.126 0.670 1.00 0.00 C ATOM 599 CG LEU A 40 3.965 11.099 1.745 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.895 11.235 2.941 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.514 11.256 2.175 1.00 0.00 C ATOM 0 H LEU A 40 4.372 10.205 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 40 2.435 12.261 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.367 11.991 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.229 13.122 1.103 1.00 0.00 H new ATOM 0 HG LEU A 40 4.092 10.102 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.627 10.496 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.924 11.071 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.801 12.235 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.279 10.517 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.360 12.257 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.861 11.107 1.315 1.00 0.00 H new ATOM 613 N VAL A 41 2.988 13.931 -2.093 1.00 0.00 N ATOM 614 CA VAL A 41 3.296 15.008 -3.027 1.00 0.00 C ATOM 615 C VAL A 41 3.172 16.371 -2.355 1.00 0.00 C ATOM 616 O VAL A 41 2.557 16.498 -1.297 1.00 0.00 O ATOM 617 CB VAL A 41 2.368 14.968 -4.256 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.644 13.728 -5.093 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.910 15.016 -3.824 1.00 0.00 C ATOM 0 H VAL A 41 1.995 13.827 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 41 4.325 14.859 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 41 2.570 15.845 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.979 13.717 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.680 13.741 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.471 12.836 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.268 14.987 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.691 14.159 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.725 15.936 -3.270 1.00 0.00 H new ATOM 777 N MET A 52 -1.243 9.972 -2.437 1.00 0.00 N ATOM 778 CA MET A 52 -1.882 9.148 -3.457 1.00 0.00 C ATOM 779 C MET A 52 -1.920 7.684 -3.029 1.00 0.00 C ATOM 780 O MET A 52 -0.940 6.957 -3.184 1.00 0.00 O ATOM 781 CB MET A 52 -1.140 9.282 -4.789 1.00 0.00 C ATOM 782 CG MET A 52 -1.125 10.700 -5.336 1.00 0.00 C ATOM 783 SD MET A 52 -0.939 10.751 -7.129 1.00 0.00 S ATOM 784 CE MET A 52 -2.601 10.336 -7.653 1.00 0.00 C ATOM 0 HA MET A 52 -2.907 9.498 -3.582 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.113 8.940 -4.659 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.605 8.623 -5.522 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.051 11.203 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.308 11.255 -4.874 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.556 9.697 -8.535 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.115 9.809 -6.849 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.145 11.249 -7.894 1.00 0.00 H new ATOM 794 N TRP A 53 -3.058 7.261 -2.489 1.00 0.00 N ATOM 795 CA TRP A 53 -3.223 5.884 -2.038 1.00 0.00 C ATOM 796 C TRP A 53 -3.384 4.938 -3.223 1.00 0.00 C ATOM 797 O TRP A 53 -4.325 5.064 -4.006 1.00 0.00 O ATOM 798 CB TRP A 53 -4.434 5.771 -1.111 1.00 0.00 C ATOM 799 CG TRP A 53 -4.209 6.382 0.239 1.00 0.00 C ATOM 800 CD1 TRP A 53 -4.948 7.368 0.826 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.172 6.047 1.168 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.434 7.667 2.064 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.345 6.870 2.298 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.117 5.131 1.157 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.500 6.803 3.403 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.280 5.067 2.254 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.475 5.898 3.365 1.00 0.00 C ATOM 0 H TRP A 53 -3.879 7.851 -2.353 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.326 5.598 -1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.290 6.255 -1.582 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.691 4.719 -0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.810 7.843 0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.803 8.369 2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.959 4.485 0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.649 7.443 4.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.460 4.364 2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.803 5.823 4.207 1.00 0.00 H new ATOM 818 N ASN A 54 -2.460 3.991 -3.349 1.00 0.00 N ATOM 819 CA ASN A 54 -2.500 3.024 -4.440 1.00 0.00 C ATOM 820 C ASN A 54 -1.996 1.661 -3.977 1.00 0.00 C ATOM 821 O ASN A 54 -0.977 1.596 -3.291 1.00 0.00 O ATOM 822 CB ASN A 54 -1.659 3.518 -5.619 1.00 0.00 C ATOM 823 CG ASN A 54 -2.004 4.939 -6.020 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.043 5.188 -6.632 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.132 5.880 -5.676 1.00 0.00 N ATOM 0 H ASN A 54 -1.675 3.873 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.536 2.919 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.603 3.464 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.810 2.856 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.311 6.854 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.283 5.628 -5.169 1.00 0.00 H new ATOM 832 N HIS A 55 -2.711 0.613 -4.358 1.00 0.00 N ATOM 833 CA HIS A 55 -2.326 -0.735 -3.977 1.00 0.00 C ATOM 834 C HIS A 55 -0.821 -0.918 -4.189 1.00 0.00 C ATOM 835 O HIS A 55 -0.254 -0.529 -5.209 1.00 0.00 O ATOM 836 CB HIS A 55 -3.161 -1.773 -4.730 1.00 0.00 C ATOM 837 CG HIS A 55 -4.643 -1.682 -4.459 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.541 -1.153 -5.370 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.375 -2.059 -3.371 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.755 -1.213 -4.843 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.651 -1.774 -3.604 1.00 0.00 N ATOM 0 H HIS A 55 -3.556 0.670 -4.927 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.531 -0.889 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.990 -1.655 -5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.813 -2.770 -4.459 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.308 -0.780 -6.290 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.983 -2.512 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.668 -0.877 -5.312 1.00 0.00 H new ATOM 849 N ALA A 56 -0.184 -1.525 -3.193 1.00 0.00 N ATOM 850 CA ALA A 56 1.251 -1.775 -3.244 1.00 0.00 C ATOM 851 C ALA A 56 1.631 -2.536 -4.510 1.00 0.00 C ATOM 852 O ALA A 56 2.789 -2.528 -4.927 1.00 0.00 O ATOM 853 CB ALA A 56 1.697 -2.545 -2.010 1.00 0.00 C ATOM 0 H ALA A 56 -0.639 -1.853 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 56 1.762 -0.812 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.771 -2.725 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.469 -1.964 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.171 -3.499 -1.967 1.00 0.00 H new ATOM 859 N SER A 57 0.648 -3.193 -5.118 1.00 0.00 N ATOM 860 CA SER A 57 0.880 -3.963 -6.334 1.00 0.00 C ATOM 861 C SER A 57 0.569 -3.128 -7.573 1.00 0.00 C ATOM 862 O SER A 57 1.003 -3.451 -8.679 1.00 0.00 O ATOM 863 CB SER A 57 0.024 -5.231 -6.332 1.00 0.00 C ATOM 864 OG SER A 57 0.187 -5.958 -7.537 1.00 0.00 O ATOM 0 H SER A 57 -0.317 -3.207 -4.788 1.00 0.00 H new ATOM 0 HA SER A 57 1.933 -4.244 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.300 -5.859 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.025 -4.965 -6.203 1.00 0.00 H new ATOM 0 HG SER A 57 -0.369 -6.764 -7.510 1.00 0.00 H new ATOM 870 N CYS A 58 -0.185 -2.051 -7.379 1.00 0.00 N ATOM 871 CA CYS A 58 -0.556 -1.169 -8.479 1.00 0.00 C ATOM 872 C CYS A 58 0.578 -0.201 -8.805 1.00 0.00 C ATOM 873 O CYS A 58 0.679 0.296 -9.927 1.00 0.00 O ATOM 874 CB CYS A 58 -1.823 -0.387 -8.128 1.00 0.00 C ATOM 875 SG CYS A 58 -3.365 -1.333 -8.345 1.00 0.00 S ATOM 0 H CYS A 58 -0.551 -1.768 -6.470 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.749 -1.785 -9.357 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.756 -0.054 -7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.868 0.508 -8.748 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.324 -0.526 -8.692 1.00 0.00 H new ATOM 880 N ILE A 59 1.428 0.060 -7.818 1.00 0.00 N ATOM 881 CA ILE A 59 2.555 0.967 -8.001 1.00 0.00 C ATOM 882 C ILE A 59 3.805 0.209 -8.432 1.00 0.00 C ATOM 883 O ILE A 59 4.462 0.576 -9.408 1.00 0.00 O ATOM 884 CB ILE A 59 2.862 1.750 -6.711 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.635 2.551 -6.270 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.055 2.671 -6.922 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.420 3.816 -7.070 1.00 0.00 C ATOM 0 H ILE A 59 1.358 -0.343 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 59 2.271 1.670 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 59 3.111 1.040 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.750 1.921 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.740 2.810 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.260 3.218 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.928 2.078 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.832 3.377 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.533 4.333 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.289 4.466 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.283 3.563 -8.121 1.00 0.00 H new ATOM 899 N LEU A 60 4.130 -0.852 -7.701 1.00 0.00 N ATOM 900 CA LEU A 60 5.302 -1.664 -8.009 1.00 0.00 C ATOM 901 C LEU A 60 5.278 -2.125 -9.462 1.00 0.00 C ATOM 902 O LEU A 60 6.325 -2.315 -10.082 1.00 0.00 O ATOM 903 CB LEU A 60 5.364 -2.877 -7.078 1.00 0.00 C ATOM 904 CG LEU A 60 5.595 -2.575 -5.597 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.440 -3.839 -4.765 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.971 -1.960 -5.386 1.00 0.00 C ATOM 0 H LEU A 60 3.598 -1.170 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 60 6.190 -1.050 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.431 -3.432 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.162 -3.534 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 60 4.844 -1.855 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.608 -3.605 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.433 -4.237 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.168 -4.582 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.118 -1.752 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.737 -2.656 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.045 -1.031 -5.952 1.00 0.00 H new ATOM 918 N LYS A 61 4.077 -2.300 -10.003 1.00 0.00 N ATOM 919 CA LYS A 61 3.915 -2.735 -11.385 1.00 0.00 C ATOM 920 C LYS A 61 4.365 -1.646 -12.354 1.00 0.00 C ATOM 921 O LYS A 61 4.740 -1.929 -13.492 1.00 0.00 O ATOM 922 CB LYS A 61 2.456 -3.104 -11.658 1.00 0.00 C ATOM 923 CG LYS A 61 1.526 -1.904 -11.720 1.00 0.00 C ATOM 924 CD LYS A 61 0.348 -2.158 -12.645 1.00 0.00 C ATOM 925 CE LYS A 61 -0.811 -1.222 -12.341 1.00 0.00 C ATOM 926 NZ LYS A 61 -2.098 -1.739 -12.884 1.00 0.00 N ATOM 0 H LYS A 61 3.200 -2.147 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 61 4.540 -3.615 -11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.398 -3.647 -12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.109 -3.782 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.161 -1.674 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.080 -1.031 -12.066 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.662 -2.026 -13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.019 -3.192 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.898 -1.090 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.606 -0.240 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.863 -1.073 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.023 -1.841 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.307 -2.665 -12.459 1.00 0.00 H new ATOM 940 N LYS A 62 4.327 -0.400 -11.895 1.00 0.00 N ATOM 941 CA LYS A 62 4.733 0.732 -12.720 1.00 0.00 C ATOM 942 C LYS A 62 6.242 0.946 -12.645 1.00 0.00 C ATOM 943 O LYS A 62 6.960 0.169 -12.015 1.00 0.00 O ATOM 944 CB LYS A 62 4.005 2.002 -12.273 1.00 0.00 C ATOM 945 CG LYS A 62 2.581 2.101 -12.794 1.00 0.00 C ATOM 946 CD LYS A 62 1.991 3.479 -12.546 1.00 0.00 C ATOM 947 CE LYS A 62 0.483 3.415 -12.360 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.174 4.706 -12.705 1.00 0.00 N ATOM 0 H LYS A 62 4.019 -0.148 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 62 4.465 0.511 -13.753 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.988 2.037 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.568 2.872 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.568 1.885 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.962 1.346 -12.309 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.450 3.918 -11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.228 4.134 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.074 2.621 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.255 3.157 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.201 4.621 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.198 5.459 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.022 4.940 -13.699 1.00 0.00 H new ATOM 962 N THR A 63 6.717 2.007 -13.290 1.00 0.00 N ATOM 963 CA THR A 63 8.140 2.323 -13.297 1.00 0.00 C ATOM 964 C THR A 63 8.387 3.754 -12.831 1.00 0.00 C ATOM 965 O THR A 63 7.475 4.580 -12.820 1.00 0.00 O ATOM 966 CB THR A 63 8.750 2.139 -14.699 1.00 0.00 C ATOM 967 OG1 THR A 63 8.323 0.893 -15.260 1.00 0.00 O ATOM 968 CG2 THR A 63 10.269 2.179 -14.638 1.00 0.00 C ATOM 0 H THR A 63 6.137 2.662 -13.814 1.00 0.00 H new ATOM 0 HA THR A 63 8.621 1.630 -12.607 1.00 0.00 H new ATOM 0 HB THR A 63 8.406 2.958 -15.331 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.714 0.785 -16.152 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.677 2.047 -15.640 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.592 3.140 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.628 1.378 -13.992 1.00 0.00 H new ATOM 976 N LYS A 64 9.627 4.040 -12.448 1.00 0.00 N ATOM 977 CA LYS A 64 9.996 5.372 -11.982 1.00 0.00 C ATOM 978 C LYS A 64 9.044 5.849 -10.890 1.00 0.00 C ATOM 979 O LYS A 64 8.577 6.987 -10.917 1.00 0.00 O ATOM 980 CB LYS A 64 9.988 6.362 -13.149 1.00 0.00 C ATOM 981 CG LYS A 64 11.129 6.156 -14.130 1.00 0.00 C ATOM 982 CD LYS A 64 11.486 7.445 -14.850 1.00 0.00 C ATOM 983 CE LYS A 64 10.645 7.635 -16.103 1.00 0.00 C ATOM 984 NZ LYS A 64 9.285 8.150 -15.786 1.00 0.00 N ATOM 0 H LYS A 64 10.394 3.367 -12.451 1.00 0.00 H new ATOM 0 HA LYS A 64 11.002 5.319 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.041 6.274 -13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.038 7.377 -12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.004 5.781 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.850 5.396 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.337 8.291 -14.179 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.542 7.433 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.148 8.329 -16.776 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.560 6.685 -16.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.897 8.640 -16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.664 7.356 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.343 8.814 -14.988 1.00 0.00 H new ATOM 998 N GLN A 65 8.764 4.973 -9.931 1.00 0.00 N ATOM 999 CA GLN A 65 7.869 5.307 -8.829 1.00 0.00 C ATOM 1000 C GLN A 65 8.649 5.496 -7.532 1.00 0.00 C ATOM 1001 O GLN A 65 8.503 6.511 -6.851 1.00 0.00 O ATOM 1002 CB GLN A 65 6.816 4.212 -8.650 1.00 0.00 C ATOM 1003 CG GLN A 65 6.021 3.920 -9.913 1.00 0.00 C ATOM 1004 CD GLN A 65 5.069 5.043 -10.276 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.515 5.710 -9.402 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.874 5.258 -11.572 1.00 0.00 N ATOM 0 H GLN A 65 9.144 4.027 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 65 7.370 6.245 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.308 3.297 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.128 4.507 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.710 3.751 -10.741 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.455 2.999 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.354 4.681 -12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.244 6.000 -11.877 1.00 0.00 H new ATOM 1015 N ILE A 66 9.476 4.512 -7.197 1.00 0.00 N ATOM 1016 CA ILE A 66 10.279 4.570 -5.982 1.00 0.00 C ATOM 1017 C ILE A 66 11.768 4.494 -6.303 1.00 0.00 C ATOM 1018 O ILE A 66 12.183 3.773 -7.211 1.00 0.00 O ATOM 1019 CB ILE A 66 9.916 3.432 -5.011 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.423 3.474 -4.677 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.751 3.530 -3.743 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.960 2.310 -3.830 1.00 0.00 C ATOM 0 H ILE A 66 9.608 3.665 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 66 10.060 5.526 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 66 10.135 2.479 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.202 4.404 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.852 3.487 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.482 2.718 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.808 3.456 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.561 4.486 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.892 2.406 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.149 1.376 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.505 2.308 -2.886 1.00 0.00 H new ATOM 1034 N LYS A 67 12.569 5.240 -5.550 1.00 0.00 N ATOM 1035 CA LYS A 67 14.013 5.256 -5.751 1.00 0.00 C ATOM 1036 C LYS A 67 14.692 4.184 -4.903 1.00 0.00 C ATOM 1037 O LYS A 67 15.550 3.447 -5.389 1.00 0.00 O ATOM 1038 CB LYS A 67 14.583 6.633 -5.402 1.00 0.00 C ATOM 1039 CG LYS A 67 16.080 6.747 -5.630 1.00 0.00 C ATOM 1040 CD LYS A 67 16.632 8.045 -5.065 1.00 0.00 C ATOM 1041 CE LYS A 67 18.111 7.922 -4.729 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.349 6.954 -3.622 1.00 0.00 N ATOM 0 H LYS A 67 12.242 5.842 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 67 14.210 5.044 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.074 7.390 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.365 6.853 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.586 5.902 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.291 6.695 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.487 8.848 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.076 8.319 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.660 7.603 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.502 8.900 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.232 7.199 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.556 6.993 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.425 5.993 -4.012 1.00 0.00 H new ATOM 1056 N SER A 68 14.300 4.102 -3.636 1.00 0.00 N ATOM 1057 CA SER A 68 14.872 3.121 -2.721 1.00 0.00 C ATOM 1058 C SER A 68 13.975 2.926 -1.503 1.00 0.00 C ATOM 1059 O SER A 68 13.225 3.824 -1.119 1.00 0.00 O ATOM 1060 CB SER A 68 16.268 3.562 -2.275 1.00 0.00 C ATOM 1061 OG SER A 68 17.011 2.467 -1.769 1.00 0.00 O ATOM 0 H SER A 68 13.589 4.703 -3.219 1.00 0.00 H new ATOM 0 HA SER A 68 14.950 2.171 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.798 4.007 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.182 4.332 -1.509 1.00 0.00 H new ATOM 0 HG SER A 68 17.899 2.774 -1.492 1.00 0.00 H new ATOM 1067 N VAL A 69 14.056 1.744 -0.899 1.00 0.00 N ATOM 1068 CA VAL A 69 13.253 1.429 0.276 1.00 0.00 C ATOM 1069 C VAL A 69 13.418 2.493 1.356 1.00 0.00 C ATOM 1070 O VAL A 69 12.515 2.721 2.161 1.00 0.00 O ATOM 1071 CB VAL A 69 13.629 0.055 0.862 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.203 -1.061 -0.079 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.123 -0.013 1.141 1.00 0.00 C ATOM 0 H VAL A 69 14.670 0.989 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 69 12.213 1.404 -0.049 1.00 0.00 H new ATOM 0 HB VAL A 69 13.100 -0.076 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.477 -2.024 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.123 -1.022 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.703 -0.938 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.372 -0.990 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.674 0.139 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.395 0.764 1.856 1.00 0.00 H new ATOM 1083 N ASP A 70 14.578 3.140 1.368 1.00 0.00 N ATOM 1084 CA ASP A 70 14.863 4.182 2.348 1.00 0.00 C ATOM 1085 C ASP A 70 13.884 5.344 2.206 1.00 0.00 C ATOM 1086 O ASP A 70 13.562 6.020 3.183 1.00 0.00 O ATOM 1087 CB ASP A 70 16.298 4.685 2.188 1.00 0.00 C ATOM 1088 CG ASP A 70 17.283 3.905 3.035 1.00 0.00 C ATOM 1089 OD1 ASP A 70 17.321 2.663 2.908 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.016 4.535 3.826 1.00 0.00 O ATOM 0 H ASP A 70 15.337 2.961 0.710 1.00 0.00 H new ATOM 0 HA ASP A 70 14.747 3.752 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.590 4.615 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.343 5.739 2.462 1.00 0.00 H new ATOM 1095 N ASP A 71 13.416 5.570 0.984 1.00 0.00 N ATOM 1096 CA ASP A 71 12.475 6.651 0.714 1.00 0.00 C ATOM 1097 C ASP A 71 11.068 6.270 1.163 1.00 0.00 C ATOM 1098 O ASP A 71 10.194 7.127 1.297 1.00 0.00 O ATOM 1099 CB ASP A 71 12.472 6.993 -0.777 1.00 0.00 C ATOM 1100 CG ASP A 71 11.618 6.039 -1.589 1.00 0.00 C ATOM 1101 OD1 ASP A 71 10.417 5.903 -1.274 1.00 0.00 O ATOM 1102 OD2 ASP A 71 12.150 5.429 -2.539 1.00 0.00 O ATOM 0 H ASP A 71 13.673 5.019 0.165 1.00 0.00 H new ATOM 0 HA ASP A 71 12.794 7.527 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.104 8.010 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.495 6.971 -1.154 1.00 0.00 H new ATOM 1107 N VAL A 72 10.854 4.978 1.394 1.00 0.00 N ATOM 1108 CA VAL A 72 9.554 4.484 1.828 1.00 0.00 C ATOM 1109 C VAL A 72 9.418 4.552 3.345 1.00 0.00 C ATOM 1110 O VAL A 72 10.256 4.025 4.077 1.00 0.00 O ATOM 1111 CB VAL A 72 9.323 3.032 1.368 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.884 2.612 1.627 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.675 2.878 -0.104 1.00 0.00 C ATOM 0 H VAL A 72 11.565 4.255 1.287 1.00 0.00 H new ATOM 0 HA VAL A 72 8.803 5.127 1.370 1.00 0.00 H new ATOM 0 HB VAL A 72 9.976 2.378 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.740 1.584 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.671 2.683 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.209 3.268 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.506 1.846 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.048 3.542 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.723 3.135 -0.256 1.00 0.00 H new ATOM 1123 N GLU A 73 8.358 5.205 3.811 1.00 0.00 N ATOM 1124 CA GLU A 73 8.114 5.342 5.242 1.00 0.00 C ATOM 1125 C GLU A 73 7.278 4.177 5.765 1.00 0.00 C ATOM 1126 O GLU A 73 6.511 3.566 5.023 1.00 0.00 O ATOM 1127 CB GLU A 73 7.404 6.665 5.536 1.00 0.00 C ATOM 1128 CG GLU A 73 7.227 6.944 7.019 1.00 0.00 C ATOM 1129 CD GLU A 73 8.537 7.255 7.715 1.00 0.00 C ATOM 1130 OE1 GLU A 73 9.481 6.446 7.592 1.00 0.00 O ATOM 1131 OE2 GLU A 73 8.620 8.307 8.383 1.00 0.00 O ATOM 0 H GLU A 73 7.655 5.647 3.219 1.00 0.00 H new ATOM 0 HA GLU A 73 9.078 5.333 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.972 7.480 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.425 6.657 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.543 7.783 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.764 6.080 7.495 1.00 0.00 H new ATOM 1138 N GLY A 74 7.435 3.874 7.050 1.00 0.00 N ATOM 1139 CA GLY A 74 6.690 2.783 7.652 1.00 0.00 C ATOM 1140 C GLY A 74 6.912 1.466 6.935 1.00 0.00 C ATOM 1141 O GLY A 74 6.111 0.540 7.064 1.00 0.00 O ATOM 0 H GLY A 74 8.065 4.364 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.984 2.679 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.627 3.024 7.643 1.00 0.00 H new ATOM 1145 N ILE A 75 8.000 1.382 6.178 1.00 0.00 N ATOM 1146 CA ILE A 75 8.323 0.168 5.438 1.00 0.00 C ATOM 1147 C ILE A 75 8.760 -0.949 6.379 1.00 0.00 C ATOM 1148 O ILE A 75 8.411 -2.112 6.180 1.00 0.00 O ATOM 1149 CB ILE A 75 9.437 0.419 4.404 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.513 -0.744 3.412 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.774 0.614 5.103 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.363 -0.446 2.197 1.00 0.00 C ATOM 0 H ILE A 75 8.673 2.140 6.061 1.00 0.00 H new ATOM 0 HA ILE A 75 7.415 -0.135 4.916 1.00 0.00 H new ATOM 0 HB ILE A 75 9.202 1.329 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.915 -1.620 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.505 -1.000 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.551 0.790 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.712 1.471 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.018 -0.280 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.372 -1.314 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.949 0.410 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.382 -0.219 2.512 1.00 0.00 H new ATOM 1164 N GLU A 76 9.524 -0.587 7.404 1.00 0.00 N ATOM 1165 CA GLU A 76 10.008 -1.560 8.377 1.00 0.00 C ATOM 1166 C GLU A 76 8.853 -2.133 9.194 1.00 0.00 C ATOM 1167 O GLU A 76 9.032 -3.075 9.966 1.00 0.00 O ATOM 1168 CB GLU A 76 11.036 -0.914 9.309 1.00 0.00 C ATOM 1169 CG GLU A 76 10.460 0.193 10.176 1.00 0.00 C ATOM 1170 CD GLU A 76 11.262 0.418 11.443 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.468 0.092 11.449 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.684 0.921 12.429 1.00 0.00 O ATOM 0 H GLU A 76 9.821 0.372 7.583 1.00 0.00 H new ATOM 0 HA GLU A 76 10.484 -2.375 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.464 -1.683 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.852 -0.508 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.427 1.119 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.432 -0.055 10.440 1.00 0.00 H new ATOM 1179 N SER A 77 7.669 -1.556 9.018 1.00 0.00 N ATOM 1180 CA SER A 77 6.485 -2.006 9.741 1.00 0.00 C ATOM 1181 C SER A 77 5.692 -3.012 8.913 1.00 0.00 C ATOM 1182 O SER A 77 4.763 -3.649 9.411 1.00 0.00 O ATOM 1183 CB SER A 77 5.598 -0.813 10.102 1.00 0.00 C ATOM 1184 OG SER A 77 4.354 -1.242 10.627 1.00 0.00 O ATOM 0 H SER A 77 7.504 -0.776 8.381 1.00 0.00 H new ATOM 0 HA SER A 77 6.814 -2.496 10.658 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.108 -0.185 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.430 -0.200 9.217 1.00 0.00 H new ATOM 0 HG SER A 77 4.203 -2.180 10.385 1.00 0.00 H new ATOM 1190 N LEU A 78 6.064 -3.149 7.645 1.00 0.00 N ATOM 1191 CA LEU A 78 5.389 -4.078 6.746 1.00 0.00 C ATOM 1192 C LEU A 78 5.934 -5.492 6.913 1.00 0.00 C ATOM 1193 O LEU A 78 7.037 -5.687 7.426 1.00 0.00 O ATOM 1194 CB LEU A 78 5.553 -3.624 5.294 1.00 0.00 C ATOM 1195 CG LEU A 78 5.328 -2.135 5.028 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.672 -1.793 3.586 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.889 -1.749 5.340 1.00 0.00 C ATOM 0 H LEU A 78 6.829 -2.628 7.216 1.00 0.00 H new ATOM 0 HA LEU A 78 4.329 -4.085 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.559 -3.884 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.858 -4.192 4.676 1.00 0.00 H new ATOM 0 HG LEU A 78 5.987 -1.565 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.506 -0.729 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.718 -2.032 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.039 -2.372 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.747 -0.686 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.213 -2.327 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.676 -1.957 6.388 1.00 0.00 H new ATOM 1209 N ARG A 79 5.157 -6.477 6.474 1.00 0.00 N ATOM 1210 CA ARG A 79 5.563 -7.874 6.574 1.00 0.00 C ATOM 1211 C ARG A 79 6.763 -8.156 5.676 1.00 0.00 C ATOM 1212 O ARG A 79 6.891 -7.581 4.595 1.00 0.00 O ATOM 1213 CB ARG A 79 4.400 -8.793 6.195 1.00 0.00 C ATOM 1214 CG ARG A 79 3.327 -8.891 7.266 1.00 0.00 C ATOM 1215 CD ARG A 79 3.819 -9.663 8.480 1.00 0.00 C ATOM 1216 NE ARG A 79 3.681 -11.106 8.304 1.00 0.00 N ATOM 1217 CZ ARG A 79 4.621 -11.875 7.766 1.00 0.00 C ATOM 1218 NH1 ARG A 79 5.763 -11.341 7.354 1.00 0.00 N ATOM 1219 NH2 ARG A 79 4.421 -13.180 7.640 1.00 0.00 N ATOM 0 H ARG A 79 4.243 -6.333 6.046 1.00 0.00 H new ATOM 0 HA ARG A 79 5.850 -8.071 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.948 -8.431 5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.788 -9.791 5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.022 -7.889 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.445 -9.382 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.865 -9.419 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.258 -9.350 9.360 1.00 0.00 H new ATOM 0 HE ARG A 79 2.815 -11.548 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.921 -10.338 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.483 -11.933 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.544 -13.594 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.144 -13.769 7.227 1.00 0.00 H new ATOM 1233 N TRP A 80 7.639 -9.044 6.131 1.00 0.00 N ATOM 1234 CA TRP A 80 8.830 -9.403 5.368 1.00 0.00 C ATOM 1235 C TRP A 80 8.526 -9.452 3.875 1.00 0.00 C ATOM 1236 O TRP A 80 9.148 -8.746 3.083 1.00 0.00 O ATOM 1237 CB TRP A 80 9.372 -10.755 5.835 1.00 0.00 C ATOM 1238 CG TRP A 80 10.288 -11.403 4.842 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.512 -10.951 4.438 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.051 -12.620 4.125 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.050 -11.813 3.514 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.174 -12.845 3.305 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.001 -13.542 4.097 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.274 -13.954 2.468 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.102 -14.641 3.266 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.231 -14.840 2.461 1.00 0.00 C ATOM 0 H TRP A 80 7.548 -9.529 7.024 1.00 0.00 H new ATOM 0 HA TRP A 80 9.586 -8.637 5.541 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.905 -10.619 6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.535 -11.424 6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.987 -10.048 4.793 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.955 -11.703 3.057 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.126 -13.398 4.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.144 -14.109 1.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.296 -15.359 3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.279 -15.710 1.822 1.00 0.00 H new ATOM 1257 N GLU A 81 7.564 -10.290 3.498 1.00 0.00 N ATOM 1258 CA GLU A 81 7.179 -10.430 2.099 1.00 0.00 C ATOM 1259 C GLU A 81 6.933 -9.064 1.463 1.00 0.00 C ATOM 1260 O GLU A 81 7.308 -8.826 0.315 1.00 0.00 O ATOM 1261 CB GLU A 81 5.923 -11.295 1.976 1.00 0.00 C ATOM 1262 CG GLU A 81 4.632 -10.530 2.211 1.00 0.00 C ATOM 1263 CD GLU A 81 3.401 -11.401 2.051 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.298 -12.100 1.022 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.540 -11.382 2.956 1.00 0.00 O ATOM 0 H GLU A 81 7.038 -10.881 4.142 1.00 0.00 H new ATOM 0 HA GLU A 81 7.999 -10.916 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.895 -11.741 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.985 -12.115 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.644 -10.104 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.576 -9.696 1.512 1.00 0.00 H new ATOM 1272 N ASP A 82 6.301 -8.172 2.217 1.00 0.00 N ATOM 1273 CA ASP A 82 6.005 -6.831 1.729 1.00 0.00 C ATOM 1274 C ASP A 82 7.287 -6.027 1.535 1.00 0.00 C ATOM 1275 O ASP A 82 7.542 -5.499 0.453 1.00 0.00 O ATOM 1276 CB ASP A 82 5.075 -6.104 2.703 1.00 0.00 C ATOM 1277 CG ASP A 82 3.726 -6.784 2.831 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.690 -8.032 2.850 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.707 -6.067 2.915 1.00 0.00 O ATOM 0 H ASP A 82 5.984 -8.354 3.169 1.00 0.00 H new ATOM 0 HA ASP A 82 5.507 -6.925 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.548 -6.054 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.931 -5.078 2.366 1.00 0.00 H new ATOM 1284 N GLN A 83 8.090 -5.940 2.591 1.00 0.00 N ATOM 1285 CA GLN A 83 9.345 -5.199 2.537 1.00 0.00 C ATOM 1286 C GLN A 83 10.201 -5.664 1.363 1.00 0.00 C ATOM 1287 O GLN A 83 10.986 -4.893 0.813 1.00 0.00 O ATOM 1288 CB GLN A 83 10.118 -5.368 3.846 1.00 0.00 C ATOM 1289 CG GLN A 83 9.312 -4.998 5.080 1.00 0.00 C ATOM 1290 CD GLN A 83 10.183 -4.778 6.302 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.243 -4.158 6.218 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.739 -5.286 7.445 1.00 0.00 N ATOM 0 H GLN A 83 7.894 -6.373 3.493 1.00 0.00 H new ATOM 0 HA GLN A 83 9.110 -4.144 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.446 -6.404 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.016 -4.751 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.741 -4.092 4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.592 -5.789 5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.854 -5.793 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.283 -5.169 8.300 1.00 0.00 H new ATOM 1301 N GLN A 84 10.043 -6.929 0.987 1.00 0.00 N ATOM 1302 CA GLN A 84 10.803 -7.496 -0.121 1.00 0.00 C ATOM 1303 C GLN A 84 10.318 -6.940 -1.455 1.00 0.00 C ATOM 1304 O GLN A 84 11.110 -6.707 -2.368 1.00 0.00 O ATOM 1305 CB GLN A 84 10.688 -9.022 -0.118 1.00 0.00 C ATOM 1306 CG GLN A 84 11.210 -9.669 1.154 1.00 0.00 C ATOM 1307 CD GLN A 84 12.686 -10.003 1.076 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.481 -9.549 1.900 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.062 -10.799 0.083 1.00 0.00 N ATOM 0 H GLN A 84 9.396 -7.580 1.433 1.00 0.00 H new ATOM 0 HA GLN A 84 11.849 -7.217 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.643 -9.299 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.237 -9.421 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.037 -8.998 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.645 -10.580 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.370 -11.153 -0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.043 -11.057 -0.020 1.00 0.00 H new ATOM 1318 N LYS A 85 9.010 -6.730 -1.562 1.00 0.00 N ATOM 1319 CA LYS A 85 8.418 -6.200 -2.785 1.00 0.00 C ATOM 1320 C LYS A 85 8.959 -4.808 -3.093 1.00 0.00 C ATOM 1321 O LYS A 85 8.925 -4.358 -4.238 1.00 0.00 O ATOM 1322 CB LYS A 85 6.894 -6.149 -2.656 1.00 0.00 C ATOM 1323 CG LYS A 85 6.251 -7.516 -2.499 1.00 0.00 C ATOM 1324 CD LYS A 85 4.762 -7.403 -2.216 1.00 0.00 C ATOM 1325 CE LYS A 85 4.258 -8.585 -1.402 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.771 -8.669 -1.409 1.00 0.00 N ATOM 0 H LYS A 85 8.340 -6.919 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 85 8.686 -6.864 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.631 -5.532 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.479 -5.661 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.406 -8.099 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.737 -8.056 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.562 -6.477 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.215 -7.348 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.676 -9.508 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.612 -8.496 -0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.467 -9.487 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.372 -7.799 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.434 -8.779 -2.387 1.00 0.00 H new ATOM 1340 N ILE A 86 9.459 -4.131 -2.064 1.00 0.00 N ATOM 1341 CA ILE A 86 10.010 -2.792 -2.226 1.00 0.00 C ATOM 1342 C ILE A 86 11.455 -2.846 -2.709 1.00 0.00 C ATOM 1343 O ILE A 86 11.767 -2.415 -3.819 1.00 0.00 O ATOM 1344 CB ILE A 86 9.949 -1.995 -0.910 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.609 -2.226 -0.209 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.164 -0.513 -1.178 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.435 -1.601 -0.929 1.00 0.00 C ATOM 0 H ILE A 86 9.493 -4.489 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 86 9.399 -2.288 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 86 10.746 -2.345 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.438 -3.298 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.662 -1.821 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.118 0.037 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.141 -0.364 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.387 -0.148 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.518 -1.805 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.584 -0.524 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.356 -2.024 -1.931 1.00 0.00 H new ATOM 1359 N ARG A 87 12.334 -3.381 -1.867 1.00 0.00 N ATOM 1360 CA ARG A 87 13.747 -3.493 -2.208 1.00 0.00 C ATOM 1361 C ARG A 87 13.931 -4.224 -3.535 1.00 0.00 C ATOM 1362 O ARG A 87 14.776 -3.853 -4.349 1.00 0.00 O ATOM 1363 CB ARG A 87 14.504 -4.229 -1.100 1.00 0.00 C ATOM 1364 CG ARG A 87 13.834 -5.520 -0.658 1.00 0.00 C ATOM 1365 CD ARG A 87 14.067 -5.791 0.820 1.00 0.00 C ATOM 1366 NE ARG A 87 15.250 -6.617 1.045 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.387 -7.850 0.570 1.00 0.00 C ATOM 1368 NH1 ARG A 87 14.419 -8.397 -0.152 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.493 -8.539 0.818 1.00 0.00 N ATOM 0 H ARG A 87 12.092 -3.743 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 87 14.151 -2.486 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.512 -4.454 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.604 -3.568 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.763 -5.461 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.220 -6.352 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.180 -4.845 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.193 -6.288 1.240 1.00 0.00 H new ATOM 0 HE ARG A 87 16.013 -6.226 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.566 -7.871 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.527 -9.344 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.240 -8.122 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.597 -9.486 0.453 1.00 0.00 H new ATOM 1383 N LYS A 88 13.132 -5.265 -3.747 1.00 0.00 N ATOM 1384 CA LYS A 88 13.204 -6.048 -4.975 1.00 0.00 C ATOM 1385 C LYS A 88 12.616 -5.273 -6.149 1.00 0.00 C ATOM 1386 O LYS A 88 12.539 -5.785 -7.267 1.00 0.00 O ATOM 1387 CB LYS A 88 12.462 -7.375 -4.802 1.00 0.00 C ATOM 1388 CG LYS A 88 12.898 -8.161 -3.578 1.00 0.00 C ATOM 1389 CD LYS A 88 14.039 -9.111 -3.903 1.00 0.00 C ATOM 1390 CE LYS A 88 13.549 -10.327 -4.675 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.579 -11.400 -4.731 1.00 0.00 N ATOM 0 H LYS A 88 12.427 -5.586 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 88 14.254 -6.251 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.392 -7.177 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.617 -7.987 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.210 -7.471 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.052 -8.727 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.795 -8.587 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.519 -9.434 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.645 -10.715 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.279 -10.029 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.207 -12.211 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.433 -11.038 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.818 -11.702 -3.765 1.00 0.00 H new ATOM 1405 N TYR A 89 12.204 -4.037 -5.890 1.00 0.00 N ATOM 1406 CA TYR A 89 11.622 -3.192 -6.926 1.00 0.00 C ATOM 1407 C TYR A 89 12.512 -1.985 -7.208 1.00 0.00 C ATOM 1408 O TYR A 89 12.669 -1.569 -8.356 1.00 0.00 O ATOM 1409 CB TYR A 89 10.227 -2.725 -6.508 1.00 0.00 C ATOM 1410 CG TYR A 89 9.699 -1.577 -7.339 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.071 -1.807 -8.557 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.828 -0.263 -6.906 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.587 -0.761 -9.319 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.347 0.788 -7.662 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.727 0.534 -8.867 1.00 0.00 C ATOM 1416 OH TYR A 89 8.247 1.579 -9.624 1.00 0.00 O ATOM 0 H TYR A 89 12.262 -3.598 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 89 11.542 -3.782 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.535 -3.564 -6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.253 -2.423 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.959 -2.820 -8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.313 -0.060 -5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.102 -0.957 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.456 1.804 -7.311 1.00 0.00 H new ATOM 0 HH TYR A 89 7.810 1.227 -10.427 1.00 0.00 H new ATOM 1426 N VAL A 90 13.093 -1.426 -6.151 1.00 0.00 N ATOM 1427 CA VAL A 90 13.968 -0.268 -6.283 1.00 0.00 C ATOM 1428 C VAL A 90 15.346 -0.676 -6.792 1.00 0.00 C ATOM 1429 O VAL A 90 16.051 0.121 -7.411 1.00 0.00 O ATOM 1430 CB VAL A 90 14.127 0.471 -4.941 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.889 1.301 -4.639 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.405 -0.517 -3.818 1.00 0.00 C ATOM 0 H VAL A 90 12.973 -1.757 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 90 13.500 0.402 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 90 14.978 1.147 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.019 1.816 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.741 2.035 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.018 0.648 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.515 0.023 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.576 -1.220 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.324 -1.062 -4.032 1.00 0.00 H new ATOM 1442 N GLU A 91 15.724 -1.923 -6.527 1.00 0.00 N ATOM 1443 CA GLU A 91 17.019 -2.436 -6.959 1.00 0.00 C ATOM 1444 C GLU A 91 16.951 -2.943 -8.397 1.00 0.00 C ATOM 1445 O GLU A 91 17.758 -2.555 -9.242 1.00 0.00 O ATOM 1446 CB GLU A 91 17.481 -3.562 -6.031 1.00 0.00 C ATOM 1447 CG GLU A 91 17.700 -3.115 -4.595 1.00 0.00 C ATOM 1448 CD GLU A 91 19.103 -2.593 -4.355 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.036 -3.056 -5.044 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.268 -1.720 -3.477 1.00 0.00 O ATOM 0 H GLU A 91 15.153 -2.596 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 91 17.739 -1.619 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.739 -4.361 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.409 -3.982 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.979 -2.336 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.508 -3.952 -3.924 1.00 0.00 H new