USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 59 HIS : no HD1:sc= -11.8! C(o=-14!,f=-10!) USER MOD Set 1.2: A 61 TYR OH : rot 0:sc= -2.15! USER MOD Single : A 8 THR OG1 : rot -36:sc= -0.384 USER MOD Single : A 9 TYR OH : rot 30:sc= -1.44 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.7!) USER MOD Single : A 20 SER OG : rot 123:sc= 0.711 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.503) USER MOD Single : A 24 GLN : amide:sc= -3.65! C(o=-3.7!,f=-6.1!) USER MOD Single : A 26 THR OG1 : rot -68:sc= 0.819 USER MOD Single : A 28 ASN : amide:sc= -0.0956 K(o=-0.096,f=-0.79) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0121 K(o=-0.012,f=-2.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.7!) USER MOD Single : A 54 HIS : no HD1:sc=-0.00671 X(o=-0.0067,f=-0.14) USER MOD Single : A 55 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -7.71! C(o=-7.7!,f=-16!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 49:sc= 0.19 USER MOD Single : A 81 GLN : amide:sc= -1.08 K(o=-1.1,f=-4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -8.469 5.898 2.030 1.00 0.00 N ATOM 117 CA THR A 8 -8.347 4.501 1.524 1.00 0.00 C ATOM 118 C THR A 8 -6.869 4.137 1.368 1.00 0.00 C ATOM 119 O THR A 8 -6.469 3.540 0.388 1.00 0.00 O ATOM 120 CB THR A 8 -9.044 4.385 0.166 1.00 0.00 C ATOM 121 OG1 THR A 8 -8.333 5.149 -0.798 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.478 4.905 0.277 1.00 0.00 C ATOM 0 HA THR A 8 -8.816 3.820 2.234 1.00 0.00 H new ATOM 0 HB THR A 8 -9.064 3.340 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.978 5.959 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.971 4.821 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.023 4.315 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.463 5.950 0.587 1.00 0.00 H new ATOM 130 N TYR A 9 -6.053 4.488 2.326 1.00 0.00 N ATOM 131 CA TYR A 9 -4.604 4.154 2.224 1.00 0.00 C ATOM 132 C TYR A 9 -4.442 2.642 2.054 1.00 0.00 C ATOM 133 O TYR A 9 -3.722 2.179 1.193 1.00 0.00 O ATOM 134 CB TYR A 9 -3.880 4.612 3.494 1.00 0.00 C ATOM 135 CG TYR A 9 -3.496 6.065 3.356 1.00 0.00 C ATOM 136 CD1 TYR A 9 -4.465 7.063 3.516 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.171 6.418 3.064 1.00 0.00 C ATOM 138 CE1 TYR A 9 -4.111 8.411 3.385 1.00 0.00 C ATOM 139 CE2 TYR A 9 -1.818 7.766 2.933 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.788 8.762 3.094 1.00 0.00 C ATOM 141 OH TYR A 9 -2.441 10.091 2.964 1.00 0.00 O ATOM 0 H TYR A 9 -6.326 4.989 3.171 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.173 4.664 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.525 4.476 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.991 4.003 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.486 6.793 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.422 5.649 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.859 9.180 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.797 8.038 2.708 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.022 10.638 3.533 1.00 0.00 H new ATOM 151 N ALA A 10 -5.113 1.868 2.863 1.00 0.00 N ATOM 152 CA ALA A 10 -4.999 0.387 2.736 1.00 0.00 C ATOM 153 C ALA A 10 -5.299 -0.015 1.292 1.00 0.00 C ATOM 154 O ALA A 10 -4.478 -0.607 0.618 1.00 0.00 O ATOM 155 CB ALA A 10 -6.005 -0.285 3.675 1.00 0.00 C ATOM 0 H ALA A 10 -5.733 2.195 3.604 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.991 0.071 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.922 -1.368 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.795 0.008 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.015 0.026 3.408 1.00 0.00 H new ATOM 161 N SER A 11 -6.467 0.306 0.807 1.00 0.00 N ATOM 162 CA SER A 11 -6.816 -0.053 -0.596 1.00 0.00 C ATOM 163 C SER A 11 -5.888 0.697 -1.553 1.00 0.00 C ATOM 164 O SER A 11 -5.594 0.234 -2.637 1.00 0.00 O ATOM 165 CB SER A 11 -8.267 0.339 -0.878 1.00 0.00 C ATOM 166 OG SER A 11 -9.094 -0.138 0.175 1.00 0.00 O ATOM 0 H SER A 11 -7.195 0.802 1.322 1.00 0.00 H new ATOM 0 HA SER A 11 -6.699 -1.127 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.354 1.422 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.591 -0.082 -1.830 1.00 0.00 H new ATOM 0 HG SER A 11 -10.025 0.113 -0.001 1.00 0.00 H new ATOM 172 N LEU A 12 -5.421 1.851 -1.159 1.00 0.00 N ATOM 173 CA LEU A 12 -4.509 2.626 -2.046 1.00 0.00 C ATOM 174 C LEU A 12 -3.244 1.806 -2.304 1.00 0.00 C ATOM 175 O LEU A 12 -2.697 1.812 -3.389 1.00 0.00 O ATOM 176 CB LEU A 12 -4.134 3.946 -1.368 1.00 0.00 C ATOM 177 CG LEU A 12 -5.206 4.996 -1.666 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.090 6.146 -0.663 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.008 5.537 -3.084 1.00 0.00 C ATOM 0 H LEU A 12 -5.632 2.289 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.009 2.837 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.042 3.801 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.164 4.289 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.193 4.540 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.854 6.893 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.230 5.763 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.103 6.602 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.771 6.285 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.021 5.992 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.091 4.719 -3.800 1.00 0.00 H new ATOM 191 N ILE A 13 -2.777 1.095 -1.314 1.00 0.00 N ATOM 192 CA ILE A 13 -1.553 0.270 -1.503 1.00 0.00 C ATOM 193 C ILE A 13 -1.883 -0.913 -2.415 1.00 0.00 C ATOM 194 O ILE A 13 -1.083 -1.325 -3.231 1.00 0.00 O ATOM 195 CB ILE A 13 -1.071 -0.245 -0.147 1.00 0.00 C ATOM 196 CG1 ILE A 13 -0.663 0.940 0.730 1.00 0.00 C ATOM 197 CG2 ILE A 13 0.134 -1.166 -0.348 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.495 0.472 2.175 1.00 0.00 C ATOM 0 H ILE A 13 -3.191 1.051 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.768 0.874 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.875 -0.799 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.269 1.371 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.419 1.723 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.477 -1.533 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.154 -2.010 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.938 -0.612 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.204 1.317 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.438 0.061 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.277 -0.296 2.221 1.00 0.00 H new ATOM 210 N ARG A 14 -3.063 -1.454 -2.286 1.00 0.00 N ATOM 211 CA ARG A 14 -3.457 -2.604 -3.148 1.00 0.00 C ATOM 212 C ARG A 14 -3.540 -2.131 -4.601 1.00 0.00 C ATOM 213 O ARG A 14 -3.258 -2.870 -5.523 1.00 0.00 O ATOM 214 CB ARG A 14 -4.826 -3.121 -2.703 1.00 0.00 C ATOM 215 CG ARG A 14 -5.043 -4.537 -3.240 1.00 0.00 C ATOM 216 CD ARG A 14 -6.542 -4.798 -3.394 1.00 0.00 C ATOM 217 NE ARG A 14 -6.813 -5.358 -4.749 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.315 -4.597 -5.682 1.00 0.00 C ATOM 219 NH1 ARG A 14 -6.957 -3.346 -5.765 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.174 -5.089 -6.533 1.00 0.00 N ATOM 0 H ARG A 14 -3.773 -1.149 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.720 -3.403 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.889 -3.121 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.611 -2.459 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.542 -4.654 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.604 -5.267 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.881 -5.494 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.099 -3.872 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.606 -6.337 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.285 -2.963 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.349 -2.751 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.452 -6.068 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.567 -4.494 -7.263 1.00 0.00 H new ATOM 234 N GLN A 15 -3.931 -0.902 -4.809 1.00 0.00 N ATOM 235 CA GLN A 15 -4.039 -0.374 -6.196 1.00 0.00 C ATOM 236 C GLN A 15 -2.665 -0.409 -6.870 1.00 0.00 C ATOM 237 O GLN A 15 -2.487 -1.023 -7.904 1.00 0.00 O ATOM 238 CB GLN A 15 -4.549 1.068 -6.155 1.00 0.00 C ATOM 239 CG GLN A 15 -5.701 1.230 -7.148 1.00 0.00 C ATOM 240 CD GLN A 15 -6.605 2.380 -6.698 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.410 2.942 -5.639 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.592 2.756 -7.463 1.00 0.00 N ATOM 0 H GLN A 15 -4.181 -0.240 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.735 -0.992 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.885 1.318 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.742 1.758 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.310 1.430 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.275 0.305 -7.210 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.756 2.284 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.200 3.522 -7.172 1.00 0.00 H new ATOM 251 N ALA A 16 -1.692 0.242 -6.293 1.00 0.00 N ATOM 252 CA ALA A 16 -0.332 0.241 -6.902 1.00 0.00 C ATOM 253 C ALA A 16 0.096 -1.203 -7.157 1.00 0.00 C ATOM 254 O ALA A 16 0.459 -1.571 -8.257 1.00 0.00 O ATOM 255 CB ALA A 16 0.659 0.907 -5.946 1.00 0.00 C ATOM 0 H ALA A 16 -1.780 0.774 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.349 0.793 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.653 0.905 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.348 1.934 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.683 0.357 -5.006 1.00 0.00 H new ATOM 261 N ILE A 17 0.048 -2.028 -6.148 1.00 0.00 N ATOM 262 CA ILE A 17 0.439 -3.451 -6.332 1.00 0.00 C ATOM 263 C ILE A 17 -0.397 -4.052 -7.464 1.00 0.00 C ATOM 264 O ILE A 17 0.110 -4.722 -8.340 1.00 0.00 O ATOM 265 CB ILE A 17 0.172 -4.216 -5.034 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.252 -3.868 -4.004 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.198 -5.721 -5.306 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.632 -3.845 -2.606 1.00 0.00 C ATOM 0 H ILE A 17 -0.245 -1.777 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 17 1.498 -3.520 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.808 -3.935 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.058 -4.601 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.691 -2.898 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.007 -6.262 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.571 -5.972 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.176 -6.003 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.399 -3.598 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.159 -3.096 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.214 -4.825 -2.377 1.00 0.00 H new ATOM 280 N LEU A 18 -1.680 -3.809 -7.449 1.00 0.00 N ATOM 281 CA LEU A 18 -2.562 -4.357 -8.520 1.00 0.00 C ATOM 282 C LEU A 18 -2.020 -3.946 -9.889 1.00 0.00 C ATOM 283 O LEU A 18 -2.316 -4.560 -10.894 1.00 0.00 O ATOM 284 CB LEU A 18 -3.975 -3.800 -8.341 1.00 0.00 C ATOM 285 CG LEU A 18 -4.935 -4.943 -8.010 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.966 -5.938 -9.171 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.459 -5.655 -6.742 1.00 0.00 C ATOM 0 H LEU A 18 -2.157 -3.253 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.586 -5.445 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.987 -3.058 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.296 -3.293 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.936 -4.542 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.651 -6.752 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.304 -5.432 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.966 -6.340 -9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.142 -6.470 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.458 -6.056 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.437 -4.947 -5.914 1.00 0.00 H new ATOM 299 N GLU A 19 -1.230 -2.909 -9.938 1.00 0.00 N ATOM 300 CA GLU A 19 -0.671 -2.462 -11.245 1.00 0.00 C ATOM 301 C GLU A 19 0.342 -3.495 -11.745 1.00 0.00 C ATOM 302 O GLU A 19 0.801 -3.435 -12.868 1.00 0.00 O ATOM 303 CB GLU A 19 0.018 -1.108 -11.067 1.00 0.00 C ATOM 304 CG GLU A 19 0.430 -0.560 -12.435 1.00 0.00 C ATOM 305 CD GLU A 19 1.952 -0.605 -12.568 1.00 0.00 C ATOM 306 OE1 GLU A 19 2.459 -1.624 -13.010 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.587 0.379 -12.225 1.00 0.00 O ATOM 0 H GLU A 19 -0.948 -2.353 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.476 -2.364 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.655 -0.408 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.894 -1.215 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.032 -1.148 -13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.075 0.464 -12.550 1.00 0.00 H new ATOM 314 N SER A 20 0.690 -4.448 -10.922 1.00 0.00 N ATOM 315 CA SER A 20 1.669 -5.486 -11.352 1.00 0.00 C ATOM 316 C SER A 20 0.912 -6.733 -11.825 1.00 0.00 C ATOM 317 O SER A 20 -0.221 -6.949 -11.442 1.00 0.00 O ATOM 318 CB SER A 20 2.580 -5.847 -10.175 1.00 0.00 C ATOM 319 OG SER A 20 2.181 -7.099 -9.631 1.00 0.00 O ATOM 0 H SER A 20 0.338 -4.552 -9.970 1.00 0.00 H new ATOM 0 HA SER A 20 2.277 -5.101 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.617 -5.897 -10.506 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.527 -5.073 -9.410 1.00 0.00 H new ATOM 0 HG SER A 20 2.939 -7.720 -9.650 1.00 0.00 H new ATOM 325 N PRO A 21 1.561 -7.510 -12.653 1.00 0.00 N ATOM 326 CA PRO A 21 0.979 -8.743 -13.213 1.00 0.00 C ATOM 327 C PRO A 21 1.046 -9.893 -12.199 1.00 0.00 C ATOM 328 O PRO A 21 0.768 -11.031 -12.524 1.00 0.00 O ATOM 329 CB PRO A 21 1.865 -9.037 -14.426 1.00 0.00 C ATOM 330 CG PRO A 21 3.211 -8.314 -14.172 1.00 0.00 C ATOM 331 CD PRO A 21 2.937 -7.230 -13.112 1.00 0.00 C ATOM 0 HA PRO A 21 -0.075 -8.634 -13.470 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.017 -10.110 -14.545 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.399 -8.678 -15.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.967 -9.016 -13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.591 -7.869 -15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.650 -7.288 -12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.019 -6.229 -13.536 1.00 0.00 H new ATOM 339 N GLU A 22 1.409 -9.612 -10.977 1.00 0.00 N ATOM 340 CA GLU A 22 1.488 -10.693 -9.959 1.00 0.00 C ATOM 341 C GLU A 22 0.984 -10.170 -8.611 1.00 0.00 C ATOM 342 O GLU A 22 1.132 -10.810 -7.590 1.00 0.00 O ATOM 343 CB GLU A 22 2.940 -11.158 -9.820 1.00 0.00 C ATOM 344 CG GLU A 22 2.981 -12.502 -9.089 1.00 0.00 C ATOM 345 CD GLU A 22 3.516 -13.582 -10.030 1.00 0.00 C ATOM 346 OE1 GLU A 22 3.145 -13.566 -11.192 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.289 -14.408 -9.573 1.00 0.00 O ATOM 0 H GLU A 22 1.654 -8.680 -10.642 1.00 0.00 H new ATOM 0 HA GLU A 22 0.867 -11.532 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.398 -11.254 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.519 -10.416 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.616 -12.428 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.983 -12.769 -8.742 1.00 0.00 H new ATOM 354 N LYS A 23 0.389 -9.009 -8.603 1.00 0.00 N ATOM 355 CA LYS A 23 -0.126 -8.434 -7.327 1.00 0.00 C ATOM 356 C LYS A 23 1.010 -8.326 -6.314 1.00 0.00 C ATOM 357 O LYS A 23 0.803 -8.426 -5.124 1.00 0.00 O ATOM 358 CB LYS A 23 -1.229 -9.329 -6.756 1.00 0.00 C ATOM 359 CG LYS A 23 -1.780 -8.697 -5.478 1.00 0.00 C ATOM 360 CD LYS A 23 -3.291 -8.502 -5.613 1.00 0.00 C ATOM 361 CE LYS A 23 -4.007 -9.821 -5.316 1.00 0.00 C ATOM 362 NZ LYS A 23 -5.415 -9.737 -5.794 1.00 0.00 N ATOM 0 H LYS A 23 0.236 -8.431 -9.429 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.533 -7.443 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.027 -9.454 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.834 -10.322 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.560 -9.334 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.294 -7.738 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.631 -7.729 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.536 -8.162 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.492 -10.646 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.986 -10.026 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.778 -10.695 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.001 -9.277 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.451 -9.181 -6.672 1.00 0.00 H new ATOM 376 N GLN A 24 2.204 -8.120 -6.783 1.00 0.00 N ATOM 377 CA GLN A 24 3.368 -7.998 -5.872 1.00 0.00 C ATOM 378 C GLN A 24 4.150 -6.740 -6.242 1.00 0.00 C ATOM 379 O GLN A 24 4.481 -6.531 -7.393 1.00 0.00 O ATOM 380 CB GLN A 24 4.266 -9.216 -6.053 1.00 0.00 C ATOM 381 CG GLN A 24 3.414 -10.450 -6.355 1.00 0.00 C ATOM 382 CD GLN A 24 4.185 -11.709 -5.958 1.00 0.00 C ATOM 383 OE1 GLN A 24 5.328 -11.633 -5.552 1.00 0.00 O ATOM 384 NE2 GLN A 24 3.606 -12.874 -6.061 1.00 0.00 N ATOM 0 H GLN A 24 2.425 -8.030 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 24 3.032 -7.937 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.971 -9.042 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.855 -9.382 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.473 -10.399 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.164 -10.482 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.647 -12.938 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.113 -13.720 -5.801 1.00 0.00 H new ATOM 393 N LEU A 25 4.453 -5.893 -5.297 1.00 0.00 N ATOM 394 CA LEU A 25 5.209 -4.671 -5.657 1.00 0.00 C ATOM 395 C LEU A 25 6.087 -4.201 -4.503 1.00 0.00 C ATOM 396 O LEU A 25 5.735 -4.320 -3.349 1.00 0.00 O ATOM 397 CB LEU A 25 4.228 -3.565 -6.043 1.00 0.00 C ATOM 398 CG LEU A 25 4.149 -3.455 -7.566 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.116 -2.394 -7.949 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.517 -3.055 -8.120 1.00 0.00 C ATOM 0 H LEU A 25 4.213 -5.994 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 25 5.859 -4.905 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.242 -3.781 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.550 -2.615 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 25 3.854 -4.418 -7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.060 -2.316 -9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.140 -2.677 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.411 -1.432 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.461 -2.977 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.812 -2.093 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.255 -3.810 -7.848 1.00 0.00 H new ATOM 412 N THR A 26 7.241 -3.671 -4.812 1.00 0.00 N ATOM 413 CA THR A 26 8.162 -3.196 -3.743 1.00 0.00 C ATOM 414 C THR A 26 7.689 -1.842 -3.213 1.00 0.00 C ATOM 415 O THR A 26 6.923 -1.146 -3.849 1.00 0.00 O ATOM 416 CB THR A 26 9.573 -3.043 -4.317 1.00 0.00 C ATOM 417 OG1 THR A 26 9.577 -2.008 -5.290 1.00 0.00 O ATOM 418 CG2 THR A 26 10.011 -4.358 -4.964 1.00 0.00 C ATOM 0 H THR A 26 7.585 -3.547 -5.764 1.00 0.00 H new ATOM 0 HA THR A 26 8.169 -3.922 -2.930 1.00 0.00 H new ATOM 0 HB THR A 26 10.266 -2.790 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.059 -2.292 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.016 -4.246 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.009 -5.150 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.320 -4.616 -5.767 1.00 0.00 H new ATOM 426 N LEU A 27 8.146 -1.463 -2.052 1.00 0.00 N ATOM 427 CA LEU A 27 7.732 -0.152 -1.478 1.00 0.00 C ATOM 428 C LEU A 27 8.329 0.981 -2.315 1.00 0.00 C ATOM 429 O LEU A 27 7.738 2.032 -2.465 1.00 0.00 O ATOM 430 CB LEU A 27 8.242 -0.044 -0.038 1.00 0.00 C ATOM 431 CG LEU A 27 7.063 -0.132 0.931 1.00 0.00 C ATOM 432 CD1 LEU A 27 7.488 -0.898 2.186 1.00 0.00 C ATOM 433 CD2 LEU A 27 6.620 1.279 1.323 1.00 0.00 C ATOM 0 H LEU A 27 8.789 -2.005 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 27 6.645 -0.077 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.955 -0.843 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.771 0.899 0.102 1.00 0.00 H new ATOM 0 HG LEU A 27 6.236 -0.654 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.647 -0.960 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.805 -1.903 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.315 -0.377 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.779 1.218 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.448 1.800 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.317 1.826 0.430 1.00 0.00 H new ATOM 445 N ASN A 28 9.500 0.778 -2.857 1.00 0.00 N ATOM 446 CA ASN A 28 10.136 1.847 -3.679 1.00 0.00 C ATOM 447 C ASN A 28 9.189 2.278 -4.804 1.00 0.00 C ATOM 448 O ASN A 28 8.941 3.450 -5.002 1.00 0.00 O ATOM 449 CB ASN A 28 11.435 1.313 -4.285 1.00 0.00 C ATOM 450 CG ASN A 28 12.363 0.844 -3.162 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.416 1.448 -2.110 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.101 -0.217 -3.343 1.00 0.00 N ATOM 0 H ASN A 28 10.043 -0.081 -2.766 1.00 0.00 H new ATOM 0 HA ASN A 28 10.350 2.707 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.221 0.487 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.922 2.091 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.722 -0.539 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.057 -0.724 -4.227 1.00 0.00 H new ATOM 459 N GLU A 29 8.664 1.341 -5.547 1.00 0.00 N ATOM 460 CA GLU A 29 7.741 1.703 -6.662 1.00 0.00 C ATOM 461 C GLU A 29 6.427 2.253 -6.100 1.00 0.00 C ATOM 462 O GLU A 29 5.844 3.170 -6.642 1.00 0.00 O ATOM 463 CB GLU A 29 7.447 0.458 -7.501 1.00 0.00 C ATOM 464 CG GLU A 29 8.710 0.040 -8.255 1.00 0.00 C ATOM 465 CD GLU A 29 8.788 -1.485 -8.314 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.380 -2.118 -7.353 1.00 0.00 O ATOM 467 OE2 GLU A 29 9.253 -1.998 -9.319 1.00 0.00 O ATOM 0 H GLU A 29 8.834 0.342 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 29 8.213 2.466 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.109 -0.355 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.641 0.664 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.698 0.453 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.593 0.441 -7.757 1.00 0.00 H new ATOM 474 N ILE A 30 5.953 1.695 -5.022 1.00 0.00 N ATOM 475 CA ILE A 30 4.674 2.178 -4.430 1.00 0.00 C ATOM 476 C ILE A 30 4.864 3.590 -3.871 1.00 0.00 C ATOM 477 O ILE A 30 4.023 4.453 -4.028 1.00 0.00 O ATOM 478 CB ILE A 30 4.249 1.238 -3.301 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.910 -0.137 -3.880 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.017 1.810 -2.598 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.403 -1.049 -2.761 1.00 0.00 C ATOM 0 H ILE A 30 6.397 0.923 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 30 3.904 2.196 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 30 5.065 1.140 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.151 -0.040 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.792 -0.574 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.714 1.140 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.256 2.790 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.202 1.908 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.161 -2.029 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.176 -1.155 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.510 -0.613 -2.313 1.00 0.00 H new ATOM 493 N TYR A 31 5.963 3.828 -3.213 1.00 0.00 N ATOM 494 CA TYR A 31 6.216 5.176 -2.632 1.00 0.00 C ATOM 495 C TYR A 31 6.255 6.224 -3.746 1.00 0.00 C ATOM 496 O TYR A 31 5.706 7.300 -3.617 1.00 0.00 O ATOM 497 CB TYR A 31 7.560 5.162 -1.902 1.00 0.00 C ATOM 498 CG TYR A 31 7.836 6.530 -1.327 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.002 7.050 -0.330 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.923 7.281 -1.793 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.255 8.319 0.203 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.175 8.551 -1.260 1.00 0.00 C ATOM 503 CZ TYR A 31 8.341 9.069 -0.262 1.00 0.00 C ATOM 504 OH TYR A 31 8.590 10.321 0.263 1.00 0.00 O ATOM 0 H TYR A 31 6.701 3.143 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 31 5.417 5.425 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.546 4.418 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.356 4.878 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.163 6.472 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.566 6.881 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.612 8.719 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.013 9.131 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 31 9.381 10.705 -0.169 1.00 0.00 H new ATOM 514 N ASN A 32 6.906 5.925 -4.835 1.00 0.00 N ATOM 515 CA ASN A 32 6.987 6.910 -5.949 1.00 0.00 C ATOM 516 C ASN A 32 5.579 7.302 -6.404 1.00 0.00 C ATOM 517 O ASN A 32 5.277 8.467 -6.574 1.00 0.00 O ATOM 518 CB ASN A 32 7.751 6.295 -7.124 1.00 0.00 C ATOM 519 CG ASN A 32 9.195 6.796 -7.108 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.698 7.269 -8.108 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.889 6.714 -6.006 1.00 0.00 N ATOM 0 H ASN A 32 7.386 5.041 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 32 7.511 7.800 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.731 5.207 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.271 6.564 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.853 7.047 -5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.468 6.317 -5.166 1.00 0.00 H new ATOM 528 N TRP A 33 4.716 6.346 -6.615 1.00 0.00 N ATOM 529 CA TRP A 33 3.339 6.685 -7.069 1.00 0.00 C ATOM 530 C TRP A 33 2.607 7.462 -5.964 1.00 0.00 C ATOM 531 O TRP A 33 1.902 8.415 -6.226 1.00 0.00 O ATOM 532 CB TRP A 33 2.589 5.386 -7.443 1.00 0.00 C ATOM 533 CG TRP A 33 1.582 5.008 -6.395 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.773 4.076 -5.436 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.236 5.529 -6.194 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.633 3.990 -4.659 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.342 4.866 -5.086 1.00 0.00 C ATOM 538 CE3 TRP A 33 -0.532 6.502 -6.859 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.636 5.159 -4.653 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.834 6.798 -6.425 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.385 6.128 -5.324 1.00 0.00 C ATOM 0 H TRP A 33 4.904 5.351 -6.493 1.00 0.00 H new ATOM 0 HA TRP A 33 3.381 7.321 -7.953 1.00 0.00 H new ATOM 0 HB2 TRP A 33 2.086 5.519 -8.401 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.306 4.575 -7.569 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.671 3.492 -5.299 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.526 3.356 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.118 7.024 -7.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.056 4.640 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.415 7.547 -6.943 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.387 6.361 -4.995 1.00 0.00 H new ATOM 552 N PHE A 34 2.770 7.059 -4.733 1.00 0.00 N ATOM 553 CA PHE A 34 2.083 7.770 -3.616 1.00 0.00 C ATOM 554 C PHE A 34 2.404 9.269 -3.662 1.00 0.00 C ATOM 555 O PHE A 34 1.521 10.099 -3.754 1.00 0.00 O ATOM 556 CB PHE A 34 2.564 7.192 -2.285 1.00 0.00 C ATOM 557 CG PHE A 34 1.526 6.242 -1.739 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.515 4.906 -2.154 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.578 6.697 -0.815 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.555 4.023 -1.646 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.382 5.815 -0.306 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.394 4.477 -0.722 1.00 0.00 C ATOM 0 H PHE A 34 3.349 6.268 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 34 1.006 7.636 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.511 6.670 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.746 7.997 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.247 4.556 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.587 7.728 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.546 2.992 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.113 6.166 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.135 3.796 -0.330 1.00 0.00 H new ATOM 572 N THR A 35 3.658 9.625 -3.578 1.00 0.00 N ATOM 573 CA THR A 35 4.030 11.071 -3.596 1.00 0.00 C ATOM 574 C THR A 35 3.758 11.679 -4.976 1.00 0.00 C ATOM 575 O THR A 35 3.203 12.754 -5.090 1.00 0.00 O ATOM 576 CB THR A 35 5.519 11.216 -3.267 1.00 0.00 C ATOM 577 OG1 THR A 35 6.284 11.008 -4.446 1.00 0.00 O ATOM 578 CG2 THR A 35 5.916 10.183 -2.211 1.00 0.00 C ATOM 0 H THR A 35 4.442 8.977 -3.498 1.00 0.00 H new ATOM 0 HA THR A 35 3.429 11.596 -2.854 1.00 0.00 H new ATOM 0 HB THR A 35 5.709 12.217 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.237 11.102 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.976 10.289 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.329 10.343 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.727 9.180 -2.594 1.00 0.00 H new ATOM 586 N ARG A 36 4.156 11.010 -6.022 1.00 0.00 N ATOM 587 CA ARG A 36 3.933 11.560 -7.390 1.00 0.00 C ATOM 588 C ARG A 36 2.452 11.883 -7.597 1.00 0.00 C ATOM 589 O ARG A 36 2.100 12.933 -8.098 1.00 0.00 O ATOM 590 CB ARG A 36 4.376 10.527 -8.427 1.00 0.00 C ATOM 591 CG ARG A 36 5.891 10.619 -8.622 1.00 0.00 C ATOM 592 CD ARG A 36 6.305 9.772 -9.826 1.00 0.00 C ATOM 593 NE ARG A 36 7.757 9.453 -9.729 1.00 0.00 N ATOM 594 CZ ARG A 36 8.291 8.588 -10.547 1.00 0.00 C ATOM 595 NH1 ARG A 36 7.740 7.417 -10.710 1.00 0.00 N ATOM 596 NH2 ARG A 36 9.378 8.896 -11.200 1.00 0.00 N ATOM 0 H ARG A 36 4.626 10.106 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 36 4.514 12.475 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.101 9.525 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.865 10.704 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.186 11.657 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.405 10.271 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.720 8.853 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.100 10.311 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 36 8.334 9.911 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.891 7.177 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.158 6.741 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.809 9.812 -11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.797 8.221 -11.840 1.00 0.00 H new ATOM 610 N MET A 37 1.581 10.987 -7.228 1.00 0.00 N ATOM 611 CA MET A 37 0.126 11.237 -7.417 1.00 0.00 C ATOM 612 C MET A 37 -0.377 12.231 -6.367 1.00 0.00 C ATOM 613 O MET A 37 -1.042 13.197 -6.686 1.00 0.00 O ATOM 614 CB MET A 37 -0.638 9.919 -7.283 1.00 0.00 C ATOM 615 CG MET A 37 -0.865 9.317 -8.671 1.00 0.00 C ATOM 616 SD MET A 37 -2.134 10.268 -9.542 1.00 0.00 S ATOM 617 CE MET A 37 -1.735 9.694 -11.211 1.00 0.00 C ATOM 0 H MET A 37 1.815 10.090 -6.803 1.00 0.00 H new ATOM 0 HA MET A 37 -0.039 11.656 -8.410 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.076 9.223 -6.660 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.594 10.089 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.065 9.326 -9.239 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.174 8.276 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.409 10.163 -11.928 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.706 9.962 -11.451 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.849 8.611 -11.260 1.00 0.00 H new ATOM 627 N PHE A 38 -0.077 12.005 -5.114 1.00 0.00 N ATOM 628 CA PHE A 38 -0.556 12.949 -4.062 1.00 0.00 C ATOM 629 C PHE A 38 0.633 13.558 -3.316 1.00 0.00 C ATOM 630 O PHE A 38 1.158 12.957 -2.400 1.00 0.00 O ATOM 631 CB PHE A 38 -1.438 12.211 -3.053 1.00 0.00 C ATOM 632 CG PHE A 38 -2.126 11.048 -3.724 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.876 11.265 -4.881 1.00 0.00 C ATOM 634 CD2 PHE A 38 -2.018 9.759 -3.189 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.525 10.196 -5.508 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.665 8.687 -3.817 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.418 8.906 -4.977 1.00 0.00 C ATOM 0 H PHE A 38 0.474 11.215 -4.776 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.130 13.738 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.832 11.855 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.180 12.893 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.955 12.260 -5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.437 9.591 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.108 10.366 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.583 7.691 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.916 8.079 -5.462 1.00 0.00 H new ATOM 647 N PRO A 39 1.004 14.747 -3.711 1.00 0.00 N ATOM 648 CA PRO A 39 2.107 15.483 -3.076 1.00 0.00 C ATOM 649 C PRO A 39 1.605 16.166 -1.796 1.00 0.00 C ATOM 650 O PRO A 39 2.249 17.045 -1.258 1.00 0.00 O ATOM 651 CB PRO A 39 2.492 16.529 -4.126 1.00 0.00 C ATOM 652 CG PRO A 39 1.248 16.714 -5.030 1.00 0.00 C ATOM 653 CD PRO A 39 0.368 15.465 -4.835 1.00 0.00 C ATOM 0 HA PRO A 39 2.944 14.847 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.773 17.470 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.351 16.197 -4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.703 17.618 -4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.541 16.821 -6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.662 15.736 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.341 14.852 -5.736 1.00 0.00 H new ATOM 661 N TYR A 40 0.449 15.780 -1.318 1.00 0.00 N ATOM 662 CA TYR A 40 -0.102 16.416 -0.092 1.00 0.00 C ATOM 663 C TYR A 40 0.209 15.560 1.140 1.00 0.00 C ATOM 664 O TYR A 40 0.810 16.020 2.090 1.00 0.00 O ATOM 665 CB TYR A 40 -1.620 16.564 -0.243 1.00 0.00 C ATOM 666 CG TYR A 40 -2.242 16.888 1.096 1.00 0.00 C ATOM 667 CD1 TYR A 40 -2.488 15.866 2.019 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.572 18.211 1.413 1.00 0.00 C ATOM 669 CE1 TYR A 40 -3.064 16.163 3.260 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.149 18.511 2.654 1.00 0.00 C ATOM 671 CZ TYR A 40 -3.393 17.486 3.578 1.00 0.00 C ATOM 672 OH TYR A 40 -3.961 17.782 4.801 1.00 0.00 O ATOM 0 H TYR A 40 -0.135 15.051 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 40 0.357 17.396 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.848 17.353 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.046 15.642 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.233 14.846 1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.382 19.000 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.254 15.373 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.406 19.531 2.898 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.126 18.746 4.860 1.00 0.00 H new ATOM 682 N PHE A 41 -0.210 14.324 1.142 1.00 0.00 N ATOM 683 CA PHE A 41 0.049 13.456 2.326 1.00 0.00 C ATOM 684 C PHE A 41 1.554 13.403 2.620 1.00 0.00 C ATOM 685 O PHE A 41 1.969 12.997 3.687 1.00 0.00 O ATOM 686 CB PHE A 41 -0.508 12.044 2.057 1.00 0.00 C ATOM 687 CG PHE A 41 0.552 11.158 1.440 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.505 10.543 2.259 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.580 10.953 0.056 1.00 0.00 C ATOM 690 CE1 PHE A 41 2.488 9.725 1.696 1.00 0.00 C ATOM 691 CE2 PHE A 41 1.562 10.134 -0.511 1.00 0.00 C ATOM 692 CZ PHE A 41 2.519 9.521 0.311 1.00 0.00 C ATOM 0 H PHE A 41 -0.719 13.879 0.378 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.453 13.870 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.860 11.603 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.368 12.108 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.481 10.701 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.157 11.427 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.223 9.250 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.583 9.974 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.280 8.891 -0.125 1.00 0.00 H new ATOM 702 N ARG A 42 2.374 13.806 1.688 1.00 0.00 N ATOM 703 CA ARG A 42 3.845 13.770 1.930 1.00 0.00 C ATOM 704 C ARG A 42 4.271 15.017 2.709 1.00 0.00 C ATOM 705 O ARG A 42 5.093 15.791 2.261 1.00 0.00 O ATOM 706 CB ARG A 42 4.588 13.726 0.595 1.00 0.00 C ATOM 707 CG ARG A 42 5.986 13.142 0.815 1.00 0.00 C ATOM 708 CD ARG A 42 7.034 14.236 0.608 1.00 0.00 C ATOM 709 NE ARG A 42 6.954 14.741 -0.791 1.00 0.00 N ATOM 710 CZ ARG A 42 7.342 15.954 -1.071 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.309 16.505 -0.388 1.00 0.00 N ATOM 712 NH2 ARG A 42 6.764 16.617 -2.036 1.00 0.00 N ATOM 0 H ARG A 42 2.091 14.157 0.773 1.00 0.00 H new ATOM 0 HA ARG A 42 4.089 12.879 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.036 13.118 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.662 14.728 0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.066 12.733 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.161 12.320 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.867 15.052 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.031 13.842 0.808 1.00 0.00 H new ATOM 0 HE ARG A 42 6.595 14.137 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.761 15.986 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.612 17.454 -0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.009 16.186 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.067 17.566 -2.256 1.00 0.00 H new ATOM 726 N ARG A 43 3.723 15.211 3.878 1.00 0.00 N ATOM 727 CA ARG A 43 4.101 16.400 4.694 1.00 0.00 C ATOM 728 C ARG A 43 4.292 15.963 6.147 1.00 0.00 C ATOM 729 O ARG A 43 5.250 16.331 6.797 1.00 0.00 O ATOM 730 CB ARG A 43 2.991 17.451 4.615 1.00 0.00 C ATOM 731 CG ARG A 43 3.605 18.849 4.717 1.00 0.00 C ATOM 732 CD ARG A 43 2.908 19.786 3.729 1.00 0.00 C ATOM 733 NE ARG A 43 2.097 20.786 4.480 1.00 0.00 N ATOM 734 CZ ARG A 43 2.642 21.903 4.878 1.00 0.00 C ATOM 735 NH1 ARG A 43 3.865 21.909 5.335 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.964 23.017 4.821 1.00 0.00 N ATOM 0 H ARG A 43 3.029 14.597 4.304 1.00 0.00 H new ATOM 0 HA ARG A 43 5.027 16.830 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.445 17.349 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.272 17.298 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.500 19.231 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.673 18.805 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.647 20.293 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.268 19.213 3.058 1.00 0.00 H new ATOM 0 HE ARG A 43 1.115 20.597 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.396 21.040 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.289 22.783 5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.008 23.015 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.390 23.890 5.132 1.00 0.00 H new ATOM 750 N ASN A 44 3.390 15.170 6.656 1.00 0.00 N ATOM 751 CA ASN A 44 3.520 14.694 8.061 1.00 0.00 C ATOM 752 C ASN A 44 3.762 13.183 8.053 1.00 0.00 C ATOM 753 O ASN A 44 3.017 12.419 8.633 1.00 0.00 O ATOM 754 CB ASN A 44 2.234 15.005 8.830 1.00 0.00 C ATOM 755 CG ASN A 44 2.091 16.520 8.994 1.00 0.00 C ATOM 756 OD1 ASN A 44 3.010 17.263 8.711 1.00 0.00 O ATOM 757 ND2 ASN A 44 0.969 17.013 9.443 1.00 0.00 N ATOM 0 H ASN A 44 2.567 14.831 6.158 1.00 0.00 H new ATOM 0 HA ASN A 44 4.356 15.199 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.373 14.603 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.257 14.523 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.864 18.021 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.197 16.390 9.681 1.00 0.00 H new ATOM 764 N ALA A 45 4.798 12.750 7.387 1.00 0.00 N ATOM 765 CA ALA A 45 5.093 11.292 7.321 1.00 0.00 C ATOM 766 C ALA A 45 4.887 10.653 8.694 1.00 0.00 C ATOM 767 O ALA A 45 4.577 9.485 8.803 1.00 0.00 O ATOM 768 CB ALA A 45 6.541 11.085 6.874 1.00 0.00 C ATOM 0 H ALA A 45 5.455 13.347 6.884 1.00 0.00 H new ATOM 0 HA ALA A 45 4.418 10.823 6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.758 10.018 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.685 11.530 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.214 11.560 7.588 1.00 0.00 H new ATOM 774 N ALA A 46 5.057 11.406 9.741 1.00 0.00 N ATOM 775 CA ALA A 46 4.871 10.832 11.100 1.00 0.00 C ATOM 776 C ALA A 46 3.499 10.162 11.193 1.00 0.00 C ATOM 777 O ALA A 46 3.356 9.096 11.758 1.00 0.00 O ATOM 778 CB ALA A 46 4.968 11.950 12.140 1.00 0.00 C ATOM 0 H ALA A 46 5.316 12.392 9.716 1.00 0.00 H new ATOM 0 HA ALA A 46 5.646 10.089 11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.832 11.532 13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.948 12.423 12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.193 12.693 11.949 1.00 0.00 H new ATOM 784 N THR A 47 2.482 10.787 10.667 1.00 0.00 N ATOM 785 CA THR A 47 1.116 10.193 10.756 1.00 0.00 C ATOM 786 C THR A 47 0.897 9.075 9.720 1.00 0.00 C ATOM 787 O THR A 47 0.495 7.982 10.067 1.00 0.00 O ATOM 788 CB THR A 47 0.080 11.292 10.519 1.00 0.00 C ATOM 789 OG1 THR A 47 0.424 12.437 11.285 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.303 10.791 10.936 1.00 0.00 C ATOM 0 H THR A 47 2.536 11.682 10.180 1.00 0.00 H new ATOM 0 HA THR A 47 1.009 9.756 11.749 1.00 0.00 H new ATOM 0 HB THR A 47 0.063 11.555 9.461 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.238 13.143 11.133 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.041 11.575 10.767 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.565 9.913 10.346 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.291 10.527 11.993 1.00 0.00 H new ATOM 798 N TRP A 48 1.094 9.338 8.450 1.00 0.00 N ATOM 799 CA TRP A 48 0.818 8.276 7.426 1.00 0.00 C ATOM 800 C TRP A 48 1.960 7.251 7.311 1.00 0.00 C ATOM 801 O TRP A 48 1.834 6.264 6.614 1.00 0.00 O ATOM 802 CB TRP A 48 0.540 8.916 6.058 1.00 0.00 C ATOM 803 CG TRP A 48 1.732 9.657 5.538 1.00 0.00 C ATOM 804 CD1 TRP A 48 1.926 10.992 5.648 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.873 9.136 4.797 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.114 11.323 5.023 1.00 0.00 N ATOM 807 CE2 TRP A 48 3.739 10.212 4.489 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.242 7.848 4.371 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.927 10.017 3.783 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.437 7.647 3.660 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.278 8.730 3.368 1.00 0.00 C ATOM 0 H TRP A 48 1.429 10.228 8.080 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.065 7.733 7.762 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.254 8.142 5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.305 9.600 6.142 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.262 11.685 6.143 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.484 12.272 4.963 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.602 7.007 4.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.570 10.855 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.709 6.653 3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.196 8.570 2.823 1.00 0.00 H new ATOM 822 N LYS A 49 3.052 7.444 7.992 1.00 0.00 N ATOM 823 CA LYS A 49 4.157 6.445 7.911 1.00 0.00 C ATOM 824 C LYS A 49 3.990 5.428 9.038 1.00 0.00 C ATOM 825 O LYS A 49 4.151 4.239 8.844 1.00 0.00 O ATOM 826 CB LYS A 49 5.506 7.154 8.054 1.00 0.00 C ATOM 827 CG LYS A 49 6.625 6.226 7.575 1.00 0.00 C ATOM 828 CD LYS A 49 7.912 7.031 7.385 1.00 0.00 C ATOM 829 CE LYS A 49 8.621 6.569 6.111 1.00 0.00 C ATOM 830 NZ LYS A 49 9.563 5.463 6.439 1.00 0.00 N ATOM 0 H LYS A 49 3.230 8.244 8.599 1.00 0.00 H new ATOM 0 HA LYS A 49 4.123 5.937 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.508 8.075 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.673 7.435 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.786 5.429 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.340 5.750 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.682 8.094 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.567 6.898 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.889 6.232 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.163 7.401 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.045 5.149 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.268 5.800 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.034 4.667 6.849 1.00 0.00 H new ATOM 844 N ASN A 50 3.656 5.885 10.213 1.00 0.00 N ATOM 845 CA ASN A 50 3.466 4.945 11.350 1.00 0.00 C ATOM 846 C ASN A 50 2.166 4.170 11.141 1.00 0.00 C ATOM 847 O ASN A 50 2.032 3.037 11.559 1.00 0.00 O ATOM 848 CB ASN A 50 3.390 5.736 12.657 1.00 0.00 C ATOM 849 CG ASN A 50 4.716 6.462 12.890 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.532 6.563 11.995 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.967 6.977 14.062 1.00 0.00 N ATOM 0 H ASN A 50 3.507 6.870 10.434 1.00 0.00 H new ATOM 0 HA ASN A 50 4.304 4.249 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.572 6.455 12.613 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.179 5.065 13.489 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.848 7.464 14.227 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.282 6.892 14.813 1.00 0.00 H new ATOM 858 N ALA A 51 1.206 4.770 10.488 1.00 0.00 N ATOM 859 CA ALA A 51 -0.083 4.065 10.246 1.00 0.00 C ATOM 860 C ALA A 51 0.123 2.993 9.174 1.00 0.00 C ATOM 861 O ALA A 51 -0.271 1.855 9.337 1.00 0.00 O ATOM 862 CB ALA A 51 -1.135 5.068 9.769 1.00 0.00 C ATOM 0 H ALA A 51 1.260 5.717 10.113 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.423 3.599 11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.078 4.550 9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.279 5.834 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.799 5.535 8.843 1.00 0.00 H new ATOM 868 N VAL A 52 0.739 3.345 8.077 1.00 0.00 N ATOM 869 CA VAL A 52 0.970 2.344 6.997 1.00 0.00 C ATOM 870 C VAL A 52 1.796 1.180 7.549 1.00 0.00 C ATOM 871 O VAL A 52 1.460 0.026 7.370 1.00 0.00 O ATOM 872 CB VAL A 52 1.725 3.003 5.843 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.198 1.929 4.862 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.797 3.981 5.120 1.00 0.00 C ATOM 0 H VAL A 52 1.092 4.282 7.883 1.00 0.00 H new ATOM 0 HA VAL A 52 0.011 1.971 6.637 1.00 0.00 H new ATOM 0 HB VAL A 52 2.588 3.542 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.736 2.399 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.859 1.232 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.336 1.389 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.335 4.452 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.066 3.442 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.460 4.747 5.818 1.00 0.00 H new ATOM 884 N ARG A 53 2.878 1.475 8.218 1.00 0.00 N ATOM 885 CA ARG A 53 3.726 0.385 8.779 1.00 0.00 C ATOM 886 C ARG A 53 2.867 -0.536 9.647 1.00 0.00 C ATOM 887 O ARG A 53 2.964 -1.745 9.572 1.00 0.00 O ATOM 888 CB ARG A 53 4.841 0.995 9.631 1.00 0.00 C ATOM 889 CG ARG A 53 6.175 0.336 9.273 1.00 0.00 C ATOM 890 CD ARG A 53 7.127 1.388 8.702 1.00 0.00 C ATOM 891 NE ARG A 53 7.851 0.821 7.529 1.00 0.00 N ATOM 892 CZ ARG A 53 7.188 0.215 6.582 1.00 0.00 C ATOM 893 NH1 ARG A 53 6.174 0.809 6.015 1.00 0.00 N ATOM 894 NH2 ARG A 53 7.539 -0.983 6.202 1.00 0.00 N ATOM 0 H ARG A 53 3.211 2.422 8.400 1.00 0.00 H new ATOM 0 HA ARG A 53 4.164 -0.190 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.897 2.070 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.625 0.851 10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.614 -0.125 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.016 -0.459 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.568 2.275 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.839 1.701 9.465 1.00 0.00 H new ATOM 0 HE ARG A 53 8.865 0.907 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.900 1.746 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.655 0.337 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.332 -1.447 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.020 -1.456 5.462 1.00 0.00 H new ATOM 908 N HIS A 54 2.024 0.025 10.472 1.00 0.00 N ATOM 909 CA HIS A 54 1.158 -0.820 11.342 1.00 0.00 C ATOM 910 C HIS A 54 0.230 -1.663 10.464 1.00 0.00 C ATOM 911 O HIS A 54 -0.002 -2.826 10.725 1.00 0.00 O ATOM 912 CB HIS A 54 0.325 0.080 12.255 1.00 0.00 C ATOM 913 CG HIS A 54 -0.354 -0.756 13.305 1.00 0.00 C ATOM 914 ND1 HIS A 54 0.358 -1.513 14.222 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.679 -0.960 13.599 1.00 0.00 C ATOM 916 CE1 HIS A 54 -0.534 -2.131 15.017 1.00 0.00 C ATOM 917 NE2 HIS A 54 -1.790 -1.829 14.680 1.00 0.00 N ATOM 0 H HIS A 54 1.898 1.031 10.581 1.00 0.00 H new ATOM 0 HA HIS A 54 1.778 -1.478 11.951 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.963 0.827 12.727 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.419 0.621 11.669 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.509 -0.514 13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.267 -2.791 15.829 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.647 -2.164 15.120 1.00 0.00 H new ATOM 925 N ASN A 55 -0.301 -1.082 9.422 1.00 0.00 N ATOM 926 CA ASN A 55 -1.214 -1.845 8.523 1.00 0.00 C ATOM 927 C ASN A 55 -0.420 -2.934 7.794 1.00 0.00 C ATOM 928 O ASN A 55 -0.939 -3.982 7.464 1.00 0.00 O ATOM 929 CB ASN A 55 -1.819 -0.892 7.492 1.00 0.00 C ATOM 930 CG ASN A 55 -2.970 -0.114 8.131 1.00 0.00 C ATOM 931 OD1 ASN A 55 -3.503 -0.517 9.145 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.381 0.993 7.573 1.00 0.00 N ATOM 0 H ASN A 55 -0.142 -0.111 9.154 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.007 -2.303 9.114 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.058 -0.202 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.180 -1.453 6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.150 1.519 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.933 1.332 6.721 1.00 0.00 H new ATOM 939 N LEU A 56 0.832 -2.682 7.530 1.00 0.00 N ATOM 940 CA LEU A 56 1.670 -3.683 6.810 1.00 0.00 C ATOM 941 C LEU A 56 1.816 -4.959 7.648 1.00 0.00 C ATOM 942 O LEU A 56 1.593 -6.053 7.169 1.00 0.00 O ATOM 943 CB LEU A 56 3.057 -3.085 6.554 1.00 0.00 C ATOM 944 CG LEU A 56 3.484 -3.349 5.108 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.385 -2.884 4.151 1.00 0.00 C ATOM 946 CD2 LEU A 56 4.774 -2.582 4.811 1.00 0.00 C ATOM 0 H LEU A 56 1.314 -1.820 7.784 1.00 0.00 H new ATOM 0 HA LEU A 56 1.189 -3.935 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.040 -2.012 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.782 -3.521 7.241 1.00 0.00 H new ATOM 0 HG LEU A 56 3.652 -4.417 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.693 -3.074 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.465 -3.430 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.212 -1.816 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.080 -2.769 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.603 -1.515 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.560 -2.915 5.489 1.00 0.00 H new ATOM 958 N SER A 57 2.205 -4.832 8.888 1.00 0.00 N ATOM 959 CA SER A 57 2.386 -6.044 9.743 1.00 0.00 C ATOM 960 C SER A 57 1.028 -6.601 10.183 1.00 0.00 C ATOM 961 O SER A 57 0.850 -7.798 10.295 1.00 0.00 O ATOM 962 CB SER A 57 3.204 -5.674 10.980 1.00 0.00 C ATOM 963 OG SER A 57 3.205 -6.770 11.886 1.00 0.00 O ATOM 0 H SER A 57 2.405 -3.943 9.347 1.00 0.00 H new ATOM 0 HA SER A 57 2.908 -6.806 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.225 -5.423 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.781 -4.791 11.459 1.00 0.00 H new ATOM 0 HG SER A 57 3.730 -6.537 12.680 1.00 0.00 H new ATOM 969 N LEU A 58 0.074 -5.752 10.446 1.00 0.00 N ATOM 970 CA LEU A 58 -1.260 -6.251 10.893 1.00 0.00 C ATOM 971 C LEU A 58 -2.049 -6.782 9.694 1.00 0.00 C ATOM 972 O LEU A 58 -3.035 -7.474 9.849 1.00 0.00 O ATOM 973 CB LEU A 58 -2.039 -5.106 11.545 1.00 0.00 C ATOM 974 CG LEU A 58 -3.228 -5.675 12.320 1.00 0.00 C ATOM 975 CD1 LEU A 58 -2.929 -5.629 13.820 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.477 -4.843 12.025 1.00 0.00 C ATOM 0 H LEU A 58 0.158 -4.738 10.372 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.117 -7.057 11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.388 -4.545 12.216 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.388 -4.409 10.783 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.399 -6.707 12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.777 -6.035 14.373 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.040 -6.223 14.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.757 -4.597 14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.324 -5.249 12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.307 -3.810 12.330 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.692 -4.875 10.957 1.00 0.00 H new ATOM 988 N HIS A 59 -1.632 -6.464 8.501 1.00 0.00 N ATOM 989 CA HIS A 59 -2.370 -6.955 7.304 1.00 0.00 C ATOM 990 C HIS A 59 -1.882 -8.358 6.938 1.00 0.00 C ATOM 991 O HIS A 59 -0.776 -8.540 6.469 1.00 0.00 O ATOM 992 CB HIS A 59 -2.122 -6.009 6.127 1.00 0.00 C ATOM 993 CG HIS A 59 -3.033 -4.815 6.231 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.268 -4.870 6.861 1.00 0.00 N ATOM 995 CD2 HIS A 59 -2.901 -3.523 5.783 1.00 0.00 C ATOM 996 CE1 HIS A 59 -4.823 -3.649 6.775 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.031 -2.789 6.128 1.00 0.00 N ATOM 0 H HIS A 59 -0.815 -5.887 8.303 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.436 -6.989 7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.081 -5.685 6.122 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.297 -6.531 5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.049 -3.136 5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.791 -3.394 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.215 -1.806 5.930 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.702 -9.353 7.146 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.288 -10.744 6.809 1.00 0.00 C ATOM 1007 C LYS A 60 -2.409 -10.961 5.300 1.00 0.00 C ATOM 1008 O LYS A 60 -1.766 -11.823 4.735 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.193 -11.738 7.544 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.405 -12.419 8.664 1.00 0.00 C ATOM 1011 CD LYS A 60 -2.661 -11.692 9.986 1.00 0.00 C ATOM 1012 CE LYS A 60 -1.992 -12.456 11.130 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.941 -13.469 11.675 1.00 0.00 N ATOM 0 H LYS A 60 -3.641 -9.262 7.535 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.254 -10.900 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.058 -11.220 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.572 -12.485 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.703 -13.464 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.340 -12.409 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.269 -10.676 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.733 -11.612 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.086 -12.946 10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.691 -11.764 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.486 -13.988 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.793 -12.990 12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.207 -14.136 10.923 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.227 -10.186 4.639 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.379 -10.354 3.165 1.00 0.00 C ATOM 1029 C TYR A 61 -2.118 -9.841 2.469 1.00 0.00 C ATOM 1030 O TYR A 61 -1.863 -10.141 1.320 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.599 -9.566 2.678 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.359 -8.086 2.855 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.467 -7.414 2.009 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.034 -7.384 3.860 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.250 -6.042 2.171 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.819 -6.010 4.020 1.00 0.00 C ATOM 1037 CZ TYR A 61 -3.926 -5.338 3.175 1.00 0.00 C ATOM 1038 OH TYR A 61 -3.714 -3.985 3.332 1.00 0.00 O ATOM 0 H TYR A 61 -3.794 -9.447 5.054 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.522 -11.409 2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.792 -9.789 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.485 -9.869 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.947 -7.955 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.721 -7.902 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.560 -5.525 1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.341 -5.468 4.795 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.068 -3.675 2.663 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.320 -9.080 3.166 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.064 -8.556 2.560 1.00 0.00 C ATOM 1050 C PHE A 62 1.024 -9.624 2.677 1.00 0.00 C ATOM 1051 O PHE A 62 1.351 -10.066 3.761 1.00 0.00 O ATOM 1052 CB PHE A 62 0.378 -7.303 3.318 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.104 -6.067 2.598 1.00 0.00 C ATOM 1054 CD1 PHE A 62 0.060 -5.949 1.212 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -0.706 -5.033 3.321 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.377 -4.793 0.553 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.142 -3.881 2.663 1.00 0.00 C ATOM 1058 CZ PHE A 62 -0.976 -3.758 1.280 1.00 0.00 C ATOM 0 H PHE A 62 -1.484 -8.798 4.132 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.233 -8.309 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.021 -7.322 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.464 -7.284 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.523 -6.748 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.834 -5.125 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.252 -4.700 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.608 -3.084 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.310 -2.865 0.773 1.00 0.00 H new ATOM 1068 N VAL A 63 1.585 -10.052 1.580 1.00 0.00 N ATOM 1069 CA VAL A 63 2.644 -11.097 1.658 1.00 0.00 C ATOM 1070 C VAL A 63 3.955 -10.549 1.090 1.00 0.00 C ATOM 1071 O VAL A 63 3.998 -10.020 -0.003 1.00 0.00 O ATOM 1072 CB VAL A 63 2.210 -12.322 0.851 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.396 -13.275 0.697 1.00 0.00 C ATOM 1074 CG2 VAL A 63 1.074 -13.037 1.586 1.00 0.00 C ATOM 0 H VAL A 63 1.358 -9.727 0.640 1.00 0.00 H new ATOM 0 HA VAL A 63 2.795 -11.380 2.700 1.00 0.00 H new ATOM 0 HB VAL A 63 1.866 -12.007 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.089 -14.149 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.207 -12.765 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.739 -13.591 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.763 -13.910 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.420 -13.353 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.229 -12.357 1.699 1.00 0.00 H new ATOM 1084 N ARG A 64 5.026 -10.676 1.825 1.00 0.00 N ATOM 1085 CA ARG A 64 6.336 -10.167 1.330 1.00 0.00 C ATOM 1086 C ARG A 64 7.126 -11.322 0.711 1.00 0.00 C ATOM 1087 O ARG A 64 7.095 -12.437 1.194 1.00 0.00 O ATOM 1088 CB ARG A 64 7.129 -9.575 2.496 1.00 0.00 C ATOM 1089 CG ARG A 64 7.458 -10.680 3.502 1.00 0.00 C ATOM 1090 CD ARG A 64 8.254 -10.091 4.668 1.00 0.00 C ATOM 1091 NE ARG A 64 8.254 -11.054 5.805 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.962 -10.804 6.872 1.00 0.00 C ATOM 1093 NH1 ARG A 64 8.971 -9.603 7.381 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.660 -11.755 7.430 1.00 0.00 N ATOM 0 H ARG A 64 5.050 -11.111 2.747 1.00 0.00 H new ATOM 0 HA ARG A 64 6.167 -9.395 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.048 -9.117 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.551 -8.788 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.539 -11.137 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.034 -11.468 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.277 -9.881 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.815 -9.143 4.980 1.00 0.00 H new ATOM 0 HE ARG A 64 7.700 -11.909 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.425 -8.860 6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.524 -9.407 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.652 -12.694 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.213 -11.559 8.264 1.00 0.00 H new ATOM 1108 N VAL A 65 7.834 -11.067 -0.354 1.00 0.00 N ATOM 1109 CA VAL A 65 8.621 -12.145 -1.001 1.00 0.00 C ATOM 1110 C VAL A 65 10.095 -11.743 -1.054 1.00 0.00 C ATOM 1111 O VAL A 65 10.564 -11.195 -2.033 1.00 0.00 O ATOM 1112 CB VAL A 65 8.103 -12.380 -2.420 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.407 -13.817 -2.848 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.590 -12.149 -2.454 1.00 0.00 C ATOM 0 H VAL A 65 7.899 -10.154 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 65 8.517 -13.063 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 65 8.595 -11.688 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.037 -13.981 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.484 -13.984 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.917 -14.511 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.219 -12.316 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.101 -12.841 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.371 -11.125 -2.152 1.00 0.00 H new ATOM 1124 N GLU A 66 10.829 -12.007 -0.008 1.00 0.00 N ATOM 1125 CA GLU A 66 12.269 -11.639 0.000 1.00 0.00 C ATOM 1126 C GLU A 66 13.048 -12.602 -0.898 1.00 0.00 C ATOM 1127 O GLU A 66 13.378 -13.704 -0.505 1.00 0.00 O ATOM 1128 CB GLU A 66 12.812 -11.721 1.429 1.00 0.00 C ATOM 1129 CG GLU A 66 14.236 -11.163 1.466 1.00 0.00 C ATOM 1130 CD GLU A 66 14.811 -11.317 2.875 1.00 0.00 C ATOM 1131 OE1 GLU A 66 14.628 -10.411 3.671 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.423 -12.340 3.135 1.00 0.00 O ATOM 0 H GLU A 66 10.492 -12.462 0.841 1.00 0.00 H new ATOM 0 HA GLU A 66 12.384 -10.621 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.171 -11.156 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.806 -12.755 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.863 -11.690 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.233 -10.112 1.176 1.00 0.00 H new ATOM 1139 N ASN A 67 13.346 -12.196 -2.103 1.00 0.00 N ATOM 1140 CA ASN A 67 14.103 -13.081 -3.023 1.00 0.00 C ATOM 1141 C ASN A 67 15.260 -12.297 -3.645 1.00 0.00 C ATOM 1142 O ASN A 67 15.376 -11.101 -3.471 1.00 0.00 O ATOM 1143 CB ASN A 67 13.176 -13.585 -4.131 1.00 0.00 C ATOM 1144 CG ASN A 67 11.943 -14.244 -3.509 1.00 0.00 C ATOM 1145 OD1 ASN A 67 11.304 -13.672 -2.649 1.00 0.00 O ATOM 1146 ND2 ASN A 67 11.579 -15.431 -3.912 1.00 0.00 N ATOM 0 H ASN A 67 13.095 -11.285 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 67 14.495 -13.931 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.874 -12.756 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.703 -14.300 -4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.758 -15.878 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.116 -15.911 -4.634 1.00 0.00 H new ATOM 1153 N VAL A 68 16.118 -12.961 -4.370 1.00 0.00 N ATOM 1154 CA VAL A 68 17.265 -12.254 -5.003 1.00 0.00 C ATOM 1155 C VAL A 68 16.744 -11.076 -5.832 1.00 0.00 C ATOM 1156 O VAL A 68 17.307 -10.000 -5.820 1.00 0.00 O ATOM 1157 CB VAL A 68 18.025 -13.222 -5.910 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.317 -12.561 -6.392 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.363 -14.493 -5.129 1.00 0.00 C ATOM 0 H VAL A 68 16.073 -13.964 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 68 17.936 -11.883 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 68 17.405 -13.478 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.859 -13.251 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.077 -11.655 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.937 -12.305 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.905 -15.184 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.983 -14.238 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.442 -14.964 -4.785 1.00 0.00 H new ATOM 1169 N LYS A 69 15.675 -11.273 -6.556 1.00 0.00 N ATOM 1170 CA LYS A 69 15.122 -10.165 -7.385 1.00 0.00 C ATOM 1171 C LYS A 69 14.845 -8.951 -6.495 1.00 0.00 C ATOM 1172 O LYS A 69 14.938 -7.819 -6.926 1.00 0.00 O ATOM 1173 CB LYS A 69 13.820 -10.620 -8.046 1.00 0.00 C ATOM 1174 CG LYS A 69 13.947 -10.503 -9.565 1.00 0.00 C ATOM 1175 CD LYS A 69 13.859 -11.894 -10.192 1.00 0.00 C ATOM 1176 CE LYS A 69 12.508 -12.056 -10.891 1.00 0.00 C ATOM 1177 NZ LYS A 69 12.689 -11.898 -12.361 1.00 0.00 N ATOM 0 H LYS A 69 15.162 -12.153 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 69 15.844 -9.894 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.600 -11.651 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.989 -10.010 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.156 -9.864 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.896 -10.034 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.669 -12.034 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.977 -12.658 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.086 -13.036 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.802 -11.314 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.771 -12.008 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.074 -10.953 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.349 -12.622 -12.709 1.00 0.00 H new ATOM 1191 N GLY A 70 14.501 -9.179 -5.258 1.00 0.00 N ATOM 1192 CA GLY A 70 14.214 -8.046 -4.343 1.00 0.00 C ATOM 1193 C GLY A 70 12.895 -8.303 -3.610 1.00 0.00 C ATOM 1194 O GLY A 70 11.931 -8.762 -4.190 1.00 0.00 O ATOM 0 H GLY A 70 14.407 -10.106 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.025 -7.931 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.153 -7.115 -4.907 1.00 0.00 H new ATOM 1198 N ALA A 71 12.846 -8.014 -2.340 1.00 0.00 N ATOM 1199 CA ALA A 71 11.592 -8.244 -1.570 1.00 0.00 C ATOM 1200 C ALA A 71 10.449 -7.431 -2.186 1.00 0.00 C ATOM 1201 O ALA A 71 10.538 -6.228 -2.328 1.00 0.00 O ATOM 1202 CB ALA A 71 11.801 -7.811 -0.118 1.00 0.00 C ATOM 0 H ALA A 71 13.621 -7.628 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 71 11.338 -9.303 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.884 -7.979 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.610 -8.393 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.058 -6.752 -0.087 1.00 0.00 H new ATOM 1208 N VAL A 72 9.375 -8.079 -2.550 1.00 0.00 N ATOM 1209 CA VAL A 72 8.228 -7.339 -3.152 1.00 0.00 C ATOM 1210 C VAL A 72 7.012 -7.437 -2.232 1.00 0.00 C ATOM 1211 O VAL A 72 6.838 -8.403 -1.517 1.00 0.00 O ATOM 1212 CB VAL A 72 7.872 -7.950 -4.508 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.871 -7.472 -5.563 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.924 -9.476 -4.408 1.00 0.00 C ATOM 0 H VAL A 72 9.242 -9.086 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 72 8.511 -6.294 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 72 6.867 -7.639 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.616 -7.908 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.833 -6.385 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.877 -7.782 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.670 -9.913 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.928 -9.788 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.210 -9.816 -3.658 1.00 0.00 H new ATOM 1224 N TRP A 73 6.164 -6.445 -2.251 1.00 0.00 N ATOM 1225 CA TRP A 73 4.958 -6.486 -1.386 1.00 0.00 C ATOM 1226 C TRP A 73 3.746 -6.911 -2.215 1.00 0.00 C ATOM 1227 O TRP A 73 3.371 -6.250 -3.161 1.00 0.00 O ATOM 1228 CB TRP A 73 4.702 -5.107 -0.770 1.00 0.00 C ATOM 1229 CG TRP A 73 5.745 -4.818 0.262 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.833 -4.040 0.070 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.815 -5.290 1.638 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.567 -4.001 1.242 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.980 -4.757 2.238 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.988 -6.121 2.416 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 7.313 -5.037 3.563 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 5.321 -6.405 3.750 1.00 0.00 C ATOM 1237 CH2 TRP A 73 6.480 -5.865 4.322 1.00 0.00 C ATOM 0 H TRP A 73 6.257 -5.610 -2.829 1.00 0.00 H new ATOM 0 HA TRP A 73 5.122 -7.206 -0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.721 -4.342 -1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.711 -5.078 -0.318 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.088 -3.532 -0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.435 -3.478 1.357 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.092 -6.543 1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.207 -4.618 4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.680 -7.044 4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 73 6.730 -6.088 5.349 1.00 0.00 H new ATOM 1248 N THR A 74 3.133 -8.016 -1.883 1.00 0.00 N ATOM 1249 CA THR A 74 1.967 -8.470 -2.672 1.00 0.00 C ATOM 1250 C THR A 74 0.726 -8.587 -1.784 1.00 0.00 C ATOM 1251 O THR A 74 0.815 -8.665 -0.574 1.00 0.00 O ATOM 1252 CB THR A 74 2.286 -9.829 -3.294 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.113 -10.367 -3.889 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.794 -10.781 -2.210 1.00 0.00 C ATOM 0 H THR A 74 3.393 -8.617 -1.101 1.00 0.00 H new ATOM 0 HA THR A 74 1.761 -7.740 -3.455 1.00 0.00 H new ATOM 0 HB THR A 74 3.055 -9.707 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.687 -9.684 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.021 -11.750 -2.654 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.696 -10.369 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.027 -10.903 -1.445 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.435 -8.600 -2.384 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.693 -8.712 -1.593 1.00 0.00 C ATOM 1264 C VAL A 75 -2.419 -10.009 -1.968 1.00 0.00 C ATOM 1265 O VAL A 75 -2.276 -10.519 -3.060 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.597 -7.516 -1.900 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.979 -7.745 -1.285 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.982 -6.247 -1.306 1.00 0.00 C ATOM 0 H VAL A 75 -0.565 -8.537 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.453 -8.724 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.694 -7.405 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.621 -6.892 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.419 -8.649 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.883 -7.858 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.625 -5.394 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.884 -6.361 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.998 -6.080 -1.744 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.199 -10.545 -1.069 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.939 -11.805 -1.372 1.00 0.00 C ATOM 1280 C ASP A 76 -5.434 -11.498 -1.487 1.00 0.00 C ATOM 1281 O ASP A 76 -6.059 -11.047 -0.548 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.711 -12.816 -0.245 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.432 -14.123 -0.576 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -5.047 -14.187 -1.628 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -4.358 -15.039 0.227 1.00 0.00 O ATOM 0 H ASP A 76 -3.356 -10.165 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.578 -12.223 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.644 -12.999 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.080 -12.414 0.698 1.00 0.00 H new ATOM 1290 N GLU A 77 -6.012 -11.733 -2.633 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.465 -11.449 -2.808 1.00 0.00 C ATOM 1292 C GLU A 77 -8.272 -12.177 -1.730 1.00 0.00 C ATOM 1293 O GLU A 77 -9.279 -11.686 -1.261 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.914 -11.925 -4.190 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.289 -13.290 -4.492 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.168 -14.045 -5.491 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -8.108 -13.720 -6.666 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.886 -14.934 -5.065 1.00 0.00 O ATOM 0 H GLU A 77 -5.541 -12.109 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.634 -10.376 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.001 -11.996 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.616 -11.202 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.286 -13.160 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.188 -13.867 -3.573 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.845 -13.346 -1.337 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.596 -14.096 -0.295 1.00 0.00 C ATOM 1307 C VAL A 78 -8.480 -13.367 1.042 1.00 0.00 C ATOM 1308 O VAL A 78 -9.464 -12.971 1.634 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.016 -15.506 -0.160 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.618 -16.186 1.071 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.358 -16.319 -1.410 1.00 0.00 C ATOM 0 H VAL A 78 -7.010 -13.812 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.645 -14.162 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.933 -15.446 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.207 -17.191 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.376 -15.606 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.701 -16.247 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.945 -17.323 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.441 -16.380 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.932 -15.833 -2.288 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.281 -13.187 1.523 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.098 -12.486 2.821 1.00 0.00 C ATOM 1323 C GLU A 79 -7.548 -11.030 2.679 1.00 0.00 C ATOM 1324 O GLU A 79 -7.971 -10.405 3.630 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.621 -12.528 3.221 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.298 -13.896 3.825 1.00 0.00 C ATOM 1327 CD GLU A 79 -4.886 -13.726 5.288 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -5.653 -13.142 6.035 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -3.809 -14.182 5.636 1.00 0.00 O ATOM 0 H GLU A 79 -6.420 -13.496 1.071 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.695 -12.979 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.991 -12.345 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.405 -11.740 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.167 -14.550 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.494 -14.372 3.263 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.460 -10.488 1.496 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.879 -9.077 1.288 1.00 0.00 C ATOM 1338 C PHE A 80 -9.407 -8.982 1.343 1.00 0.00 C ATOM 1339 O PHE A 80 -9.963 -8.236 2.125 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.384 -8.596 -0.077 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.460 -7.088 -0.143 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -6.487 -6.307 0.493 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -8.504 -6.472 -0.842 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -6.559 -4.910 0.429 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -8.577 -5.076 -0.906 1.00 0.00 C ATOM 1346 CZ PHE A 80 -7.604 -4.294 -0.271 1.00 0.00 C ATOM 0 H PHE A 80 -7.115 -10.964 0.663 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.451 -8.451 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.358 -8.926 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.989 -9.035 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.681 -6.782 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.254 -7.075 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.809 -4.308 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.384 -4.602 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.659 -3.217 -0.321 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.090 -9.728 0.516 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.579 -9.676 0.518 1.00 0.00 C ATOM 1358 C GLN A 81 -12.114 -10.083 1.895 1.00 0.00 C ATOM 1359 O GLN A 81 -13.274 -9.885 2.198 1.00 0.00 O ATOM 1360 CB GLN A 81 -12.129 -10.625 -0.553 1.00 0.00 C ATOM 1361 CG GLN A 81 -12.024 -12.073 -0.069 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.387 -12.536 0.452 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -14.286 -11.738 0.629 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -13.580 -13.802 0.707 1.00 0.00 N ATOM 0 H GLN A 81 -9.680 -10.371 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.902 -8.658 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.169 -10.379 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.572 -10.501 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.696 -12.718 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.275 -12.151 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.826 -14.473 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.485 -14.120 1.054 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.282 -10.645 2.733 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.752 -11.054 4.088 1.00 0.00 C ATOM 1375 C LYS A 82 -12.626 -9.939 4.670 1.00 0.00 C ATOM 1376 O LYS A 82 -13.826 -10.077 4.791 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.544 -11.291 5.000 1.00 0.00 C ATOM 1378 CG LYS A 82 -10.965 -12.143 6.201 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.296 -11.607 7.469 1.00 0.00 C ATOM 1380 CE LYS A 82 -8.817 -11.999 7.471 1.00 0.00 C ATOM 1381 NZ LYS A 82 -8.218 -11.669 8.796 1.00 0.00 N ATOM 0 H LYS A 82 -10.300 -10.838 2.537 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.331 -11.975 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.750 -11.793 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.141 -10.338 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.049 -12.122 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.681 -13.183 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.396 -10.523 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.791 -12.010 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.712 -13.065 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.288 -11.469 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.213 -11.935 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.306 -10.648 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.717 -12.194 9.543 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.033 -8.832 5.019 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.826 -7.705 5.575 1.00 0.00 C ATOM 1397 C ARG A 83 -13.505 -6.953 4.427 1.00 0.00 C ATOM 1398 O ARG A 83 -14.332 -6.089 4.638 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.899 -6.751 6.331 1.00 0.00 C ATOM 1400 CG ARG A 83 -12.657 -6.126 7.503 1.00 0.00 C ATOM 1401 CD ARG A 83 -12.798 -7.156 8.625 1.00 0.00 C ATOM 1402 NE ARG A 83 -12.917 -6.454 9.934 1.00 0.00 N ATOM 1403 CZ ARG A 83 -13.625 -5.362 10.028 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -14.923 -5.434 10.156 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -13.036 -4.198 9.996 1.00 0.00 N ATOM 0 H ARG A 83 -11.030 -8.660 4.942 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.582 -8.092 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.024 -7.290 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.537 -5.971 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.125 -5.247 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.641 -5.791 7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.676 -7.778 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.934 -7.820 8.634 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.445 -6.827 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.383 -6.344 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.476 -4.580 10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.022 -4.142 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.589 -3.344 10.069 1.00 0.00 H new