USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 157:sc= 0.46 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.0393 X(o=-6.4,f=-6.6) USER MOD Set 1.3: A 60 CYS SG : rot -129:sc= -1.84 USER MOD Set 1.4: A 73 HIS : no HE2:sc= -2.05 K(o=-6.4,f=-7) USER MOD Set 1.5: A 78 HIS : no HD1:sc= -2.9 K(o=-6.4,f=-7.6!) USER MOD Set 2.1: A 52 GLN : amide:sc= -7.28! C(o=-19!,f=-20!) USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= -12! C(o=-21!,f=-19!) USER MOD Set 3.1: A 27 CYS SG : rot 110:sc= 0.235 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 30 CYS SG : rot -76:sc= -1.03 USER MOD Set 3.4: A 44 HIS :FLIP no HD1:sc= -0.72 F(o=-1.9,f=-1.3) USER MOD Set 3.5: A 48 CYS SG : rot 165:sc= 0.244 USER MOD Single : A 14 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.55) USER MOD Single : A 16 GLN : amide:sc= -0.418 K(o=-0.42,f=-4.3!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -4.04! C(o=-6.1!,f=-4!) USER MOD Single : A 31 ASN : amide:sc= -4.58! C(o=-4.6!,f=-5!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.313 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -1:sc= 0.575 USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= -1.79! (180deg=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -178:sc= -2.71 (180deg=-2.79) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.327 (180deg=-1.44!) USER MOD Single : A 58 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0926 (180deg=-0.531) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -3.412 16.458 -8.896 1.00 0.00 N ATOM 95 CA PRO A 11 -2.099 16.025 -8.411 1.00 0.00 C ATOM 96 C PRO A 11 -0.975 16.392 -9.375 1.00 0.00 C ATOM 97 O PRO A 11 -0.555 15.573 -10.192 1.00 0.00 O ATOM 98 CB PRO A 11 -2.242 14.504 -8.310 1.00 0.00 C ATOM 99 CG PRO A 11 -3.310 14.159 -9.290 1.00 0.00 C ATOM 100 CD PRO A 11 -4.261 15.323 -9.293 1.00 0.00 C ATOM 0 HA PRO A 11 -1.834 16.505 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.305 14.001 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.517 14.198 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.891 13.995 -10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.820 13.239 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.704 15.477 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.083 15.172 -8.593 1.00 0.00 H new ATOM 108 N GLU A 12 -0.493 17.626 -9.273 1.00 0.00 N ATOM 109 CA GLU A 12 0.581 18.100 -10.137 1.00 0.00 C ATOM 110 C GLU A 12 1.820 18.455 -9.319 1.00 0.00 C ATOM 111 O GLU A 12 2.512 19.429 -9.614 1.00 0.00 O ATOM 112 CB GLU A 12 0.121 19.318 -10.941 1.00 0.00 C ATOM 113 CG GLU A 12 -0.934 18.994 -11.986 1.00 0.00 C ATOM 114 CD GLU A 12 -1.464 20.232 -12.682 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.698 21.209 -12.819 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.644 20.224 -13.090 1.00 0.00 O ATOM 0 H GLU A 12 -0.829 18.316 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 12 0.839 17.296 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.276 20.066 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.984 19.764 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.509 18.318 -12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.761 18.467 -11.511 1.00 0.00 H new ATOM 123 N GLU A 13 2.092 17.658 -8.291 1.00 0.00 N ATOM 124 CA GLU A 13 3.246 17.890 -7.430 1.00 0.00 C ATOM 125 C GLU A 13 4.493 17.222 -8.001 1.00 0.00 C ATOM 126 O GLU A 13 5.464 17.893 -8.351 1.00 0.00 O ATOM 127 CB GLU A 13 2.972 17.363 -6.020 1.00 0.00 C ATOM 128 CG GLU A 13 2.351 18.396 -5.094 1.00 0.00 C ATOM 129 CD GLU A 13 2.688 18.150 -3.636 1.00 0.00 C ATOM 130 OE1 GLU A 13 3.830 18.452 -3.232 1.00 0.00 O ATOM 131 OE2 GLU A 13 1.808 17.656 -2.900 1.00 0.00 O ATOM 0 H GLU A 13 1.530 16.847 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 13 3.421 18.965 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.308 16.501 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.907 17.012 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.696 19.389 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.268 18.387 -5.219 1.00 0.00 H new ATOM 138 N GLN A 14 4.459 15.896 -8.091 1.00 0.00 N ATOM 139 CA GLN A 14 5.587 15.137 -8.618 1.00 0.00 C ATOM 140 C GLN A 14 5.723 15.339 -10.123 1.00 0.00 C ATOM 141 O GLN A 14 6.816 15.600 -10.627 1.00 0.00 O ATOM 142 CB GLN A 14 5.418 13.649 -8.304 1.00 0.00 C ATOM 143 CG GLN A 14 5.614 13.311 -6.835 1.00 0.00 C ATOM 144 CD GLN A 14 4.411 13.674 -5.987 1.00 0.00 C ATOM 145 OE1 GLN A 14 4.505 14.494 -5.074 1.00 0.00 O ATOM 146 NE2 GLN A 14 3.270 13.064 -6.286 1.00 0.00 N ATOM 0 H GLN A 14 3.663 15.326 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 14 6.495 15.502 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.421 13.332 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.131 13.078 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.815 12.244 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.491 13.838 -6.459 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.237 12.391 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.427 13.269 -5.750 1.00 0.00 H new ATOM 155 N TRP A 15 4.609 15.218 -10.835 1.00 0.00 N ATOM 156 CA TRP A 15 4.605 15.387 -12.283 1.00 0.00 C ATOM 157 C TRP A 15 5.164 16.751 -12.673 1.00 0.00 C ATOM 158 O TRP A 15 5.945 16.863 -13.618 1.00 0.00 O ATOM 159 CB TRP A 15 3.186 15.228 -12.832 1.00 0.00 C ATOM 160 CG TRP A 15 2.713 13.806 -12.853 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.479 12.690 -13.037 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.367 13.348 -12.687 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.690 11.566 -12.994 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.391 11.942 -12.780 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.144 13.988 -12.466 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.239 11.169 -12.661 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.998 13.219 -12.349 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.944 11.822 -12.446 1.00 0.00 C ATOM 0 H TRP A 15 3.696 15.003 -10.433 1.00 0.00 H new ATOM 0 HA TRP A 15 5.243 14.616 -12.716 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.501 15.822 -12.227 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.148 15.631 -13.844 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.548 12.691 -13.193 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.019 10.607 -13.104 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.093 15.064 -12.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.278 10.092 -12.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.949 13.703 -12.180 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.854 11.249 -12.349 1.00 0.00 H new ATOM 179 N GLN A 16 4.759 17.783 -11.941 1.00 0.00 N ATOM 180 CA GLN A 16 5.221 19.140 -12.212 1.00 0.00 C ATOM 181 C GLN A 16 6.707 19.282 -11.898 1.00 0.00 C ATOM 182 O GLN A 16 7.434 19.988 -12.597 1.00 0.00 O ATOM 183 CB GLN A 16 4.415 20.149 -11.392 1.00 0.00 C ATOM 184 CG GLN A 16 4.841 21.591 -11.615 1.00 0.00 C ATOM 185 CD GLN A 16 4.331 22.154 -12.926 1.00 0.00 C ATOM 186 OE1 GLN A 16 4.165 21.426 -13.905 1.00 0.00 O ATOM 187 NE2 GLN A 16 4.078 23.458 -12.953 1.00 0.00 N ATOM 0 H GLN A 16 4.112 17.706 -11.156 1.00 0.00 H new ATOM 0 HA GLN A 16 5.072 19.343 -13.272 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.359 20.048 -11.643 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.516 19.908 -10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.474 22.205 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.929 21.651 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.230 24.024 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.732 23.893 -13.808 1.00 0.00 H new ATOM 196 N ARG A 17 7.151 18.607 -10.843 1.00 0.00 N ATOM 197 CA ARG A 17 8.550 18.660 -10.435 1.00 0.00 C ATOM 198 C ARG A 17 9.470 18.329 -11.606 1.00 0.00 C ATOM 199 O ARG A 17 10.570 18.868 -11.716 1.00 0.00 O ATOM 200 CB ARG A 17 8.804 17.688 -9.282 1.00 0.00 C ATOM 201 CG ARG A 17 8.571 18.297 -7.909 1.00 0.00 C ATOM 202 CD ARG A 17 9.429 17.626 -6.848 1.00 0.00 C ATOM 203 NE ARG A 17 8.751 16.487 -6.236 1.00 0.00 N ATOM 204 CZ ARG A 17 9.058 16.007 -5.036 1.00 0.00 C ATOM 205 NH1 ARG A 17 10.027 16.565 -4.323 1.00 0.00 N ATOM 206 NH2 ARG A 17 8.395 14.967 -4.546 1.00 0.00 N ATOM 0 H ARG A 17 6.562 18.017 -10.255 1.00 0.00 H new ATOM 0 HA ARG A 17 8.767 19.674 -10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.155 16.820 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.831 17.328 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.796 19.363 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.519 18.201 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.365 17.293 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.686 18.352 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 17 8.001 16.035 -6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.539 17.365 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.261 16.194 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.649 14.535 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.632 14.599 -3.624 1.00 0.00 H new ATOM 220 N ALA A 18 9.011 17.437 -12.479 1.00 0.00 N ATOM 221 CA ALA A 18 9.792 17.035 -13.642 1.00 0.00 C ATOM 222 C ALA A 18 9.449 17.891 -14.856 1.00 0.00 C ATOM 223 O ALA A 18 10.329 18.268 -15.630 1.00 0.00 O ATOM 224 CB ALA A 18 9.560 15.563 -13.949 1.00 0.00 C ATOM 0 H ALA A 18 8.103 16.980 -12.402 1.00 0.00 H new ATOM 0 HA ALA A 18 10.847 17.185 -13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.149 15.276 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.862 14.961 -13.092 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.503 15.397 -14.155 1.00 0.00 H new ATOM 230 N ILE A 19 8.165 18.193 -15.018 1.00 0.00 N ATOM 231 CA ILE A 19 7.707 19.006 -16.138 1.00 0.00 C ATOM 232 C ILE A 19 8.457 20.332 -16.198 1.00 0.00 C ATOM 233 O ILE A 19 8.783 20.825 -17.278 1.00 0.00 O ATOM 234 CB ILE A 19 6.195 19.287 -16.048 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.403 17.988 -16.207 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.782 20.299 -17.106 1.00 0.00 C ATOM 237 CD1 ILE A 19 4.059 18.011 -15.512 1.00 0.00 C ATOM 0 H ILE A 19 7.424 17.887 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 19 7.909 18.436 -17.045 1.00 0.00 H new ATOM 0 HB ILE A 19 5.975 19.706 -15.066 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.251 17.792 -17.268 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.993 17.161 -15.812 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.711 20.488 -17.031 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.327 21.230 -16.951 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.012 19.905 -18.096 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.553 17.058 -15.667 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.204 18.175 -14.444 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.450 18.816 -15.924 1.00 0.00 H new ATOM 249 N HIS A 20 8.729 20.905 -15.030 1.00 0.00 N ATOM 250 CA HIS A 20 9.443 22.174 -14.949 1.00 0.00 C ATOM 251 C HIS A 20 10.953 21.951 -14.977 1.00 0.00 C ATOM 252 O HIS A 20 11.681 22.662 -15.668 1.00 0.00 O ATOM 253 CB HIS A 20 9.051 22.925 -13.676 1.00 0.00 C ATOM 254 CG HIS A 20 9.931 22.618 -12.504 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.964 21.544 -11.680 1.00 0.00 N flip ATOM 256 CD2 HIS A 20 10.920 23.470 -12.062 1.00 0.00 C flip ATOM 257 CE1 HIS A 20 10.965 21.765 -10.765 1.00 0.00 C flip ATOM 258 NE2 HIS A 20 11.526 22.934 -11.018 1.00 0.00 N flip ATOM 0 H HIS A 20 8.466 20.511 -14.127 1.00 0.00 H new ATOM 0 HA HIS A 20 9.165 22.774 -15.816 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.082 23.997 -13.872 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.021 22.677 -13.421 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.162 24.427 -12.501 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.247 21.092 -9.969 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.296 23.352 -10.496 1.00 0.00 H new ATOM 266 N GLU A 21 11.413 20.960 -14.221 1.00 0.00 N ATOM 267 CA GLU A 21 12.836 20.645 -14.158 1.00 0.00 C ATOM 268 C GLU A 21 13.377 20.297 -15.542 1.00 0.00 C ATOM 269 O GLU A 21 14.316 20.927 -16.029 1.00 0.00 O ATOM 270 CB GLU A 21 13.082 19.482 -13.195 1.00 0.00 C ATOM 271 CG GLU A 21 13.353 19.921 -11.767 1.00 0.00 C ATOM 272 CD GLU A 21 14.205 18.926 -11.002 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.183 17.730 -11.359 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.892 19.344 -10.047 1.00 0.00 O ATOM 0 H GLU A 21 10.822 20.362 -13.644 1.00 0.00 H new ATOM 0 HA GLU A 21 13.362 21.527 -13.792 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.214 18.823 -13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.929 18.898 -13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.853 20.889 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.405 20.057 -11.247 1.00 0.00 H new ATOM 281 N ARG A 22 12.779 19.290 -16.169 1.00 0.00 N ATOM 282 CA ARG A 22 13.201 18.857 -17.496 1.00 0.00 C ATOM 283 C ARG A 22 12.392 19.561 -18.581 1.00 0.00 C ATOM 284 O ARG A 22 12.922 20.379 -19.332 1.00 0.00 O ATOM 285 CB ARG A 22 13.048 17.341 -17.633 1.00 0.00 C ATOM 286 CG ARG A 22 14.123 16.551 -16.905 1.00 0.00 C ATOM 287 CD ARG A 22 15.363 16.373 -17.767 1.00 0.00 C ATOM 288 NE ARG A 22 15.230 15.251 -18.692 1.00 0.00 N ATOM 289 CZ ARG A 22 16.228 14.791 -19.438 1.00 0.00 C ATOM 290 NH1 ARG A 22 17.426 15.354 -19.369 1.00 0.00 N ATOM 291 NH2 ARG A 22 16.029 13.766 -20.256 1.00 0.00 N ATOM 0 H ARG A 22 12.001 18.758 -15.780 1.00 0.00 H new ATOM 0 HA ARG A 22 14.251 19.122 -17.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.071 17.047 -17.250 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.068 17.077 -18.690 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.391 17.064 -15.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.731 15.574 -16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.547 17.288 -18.331 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.230 16.214 -17.126 1.00 0.00 H new ATOM 0 HE ARG A 22 14.321 14.795 -18.770 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.583 16.143 -18.742 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.190 14.998 -19.943 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.109 13.330 -20.313 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.796 13.414 -20.828 1.00 0.00 H new ATOM 305 N GLY A 23 11.105 19.236 -18.658 1.00 0.00 N ATOM 306 CA GLY A 23 10.245 19.846 -19.654 1.00 0.00 C ATOM 307 C GLY A 23 8.822 19.327 -19.587 1.00 0.00 C ATOM 308 O GLY A 23 7.868 20.102 -19.658 1.00 0.00 O ATOM 0 H GLY A 23 10.643 18.561 -18.048 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.241 20.927 -19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.652 19.655 -20.647 1.00 0.00 H new ATOM 312 N GLU A 24 8.679 18.012 -19.453 1.00 0.00 N ATOM 313 CA GLU A 24 7.362 17.391 -19.379 1.00 0.00 C ATOM 314 C GLU A 24 7.445 16.014 -18.727 1.00 0.00 C ATOM 315 O GLU A 24 8.523 15.432 -18.617 1.00 0.00 O ATOM 316 CB GLU A 24 6.752 17.269 -20.778 1.00 0.00 C ATOM 317 CG GLU A 24 7.581 16.425 -21.731 1.00 0.00 C ATOM 318 CD GLU A 24 6.849 16.114 -23.022 1.00 0.00 C ATOM 319 OE1 GLU A 24 6.135 17.006 -23.527 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.991 14.981 -23.527 1.00 0.00 O ATOM 0 H GLU A 24 9.459 17.357 -19.394 1.00 0.00 H new ATOM 0 HA GLU A 24 6.723 18.026 -18.765 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.756 16.835 -20.694 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.631 18.266 -21.201 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.509 16.949 -21.961 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.855 15.492 -21.239 1.00 0.00 H new ATOM 327 N ALA A 25 6.298 15.501 -18.295 1.00 0.00 N ATOM 328 CA ALA A 25 6.240 14.193 -17.654 1.00 0.00 C ATOM 329 C ALA A 25 5.382 13.224 -18.461 1.00 0.00 C ATOM 330 O ALA A 25 4.179 13.104 -18.231 1.00 0.00 O ATOM 331 CB ALA A 25 5.701 14.322 -16.237 1.00 0.00 C ATOM 0 H ALA A 25 5.396 15.971 -18.377 1.00 0.00 H new ATOM 0 HA ALA A 25 7.253 13.793 -17.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.663 13.337 -15.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.355 14.973 -15.657 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.698 14.748 -16.267 1.00 0.00 H new ATOM 337 N VAL A 26 6.010 12.534 -19.409 1.00 0.00 N ATOM 338 CA VAL A 26 5.304 11.575 -20.250 1.00 0.00 C ATOM 339 C VAL A 26 4.695 10.455 -19.415 1.00 0.00 C ATOM 340 O VAL A 26 4.897 10.390 -18.202 1.00 0.00 O ATOM 341 CB VAL A 26 6.240 10.961 -21.308 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.831 12.047 -22.193 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.340 10.150 -20.639 1.00 0.00 C ATOM 0 H VAL A 26 7.006 12.622 -19.613 1.00 0.00 H new ATOM 0 HA VAL A 26 4.507 12.122 -20.754 1.00 0.00 H new ATOM 0 HB VAL A 26 5.657 10.290 -21.938 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.489 11.594 -22.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.027 12.581 -22.700 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.401 12.746 -21.580 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.992 9.723 -21.401 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.923 10.798 -19.984 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.894 9.347 -20.052 1.00 0.00 H new ATOM 353 N CYS A 27 3.949 9.573 -20.071 1.00 0.00 N ATOM 354 CA CYS A 27 3.309 8.454 -19.390 1.00 0.00 C ATOM 355 C CYS A 27 4.350 7.460 -18.882 1.00 0.00 C ATOM 356 O CYS A 27 5.190 6.964 -19.632 1.00 0.00 O ATOM 357 CB CYS A 27 2.331 7.748 -20.332 1.00 0.00 C ATOM 358 SG CYS A 27 1.347 6.438 -19.536 1.00 0.00 S ATOM 0 H CYS A 27 3.773 9.612 -21.075 1.00 0.00 H new ATOM 0 HA CYS A 27 2.759 8.847 -18.535 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.654 8.489 -20.757 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.890 7.315 -21.161 1.00 0.00 H new ATOM 0 HG CYS A 27 0.108 6.821 -19.444 1.00 0.00 H new ATOM 363 N PRO A 28 4.294 7.162 -17.575 1.00 0.00 N ATOM 364 CA PRO A 28 5.223 6.225 -16.936 1.00 0.00 C ATOM 365 C PRO A 28 4.986 4.784 -17.376 1.00 0.00 C ATOM 366 O PRO A 28 5.613 3.856 -16.862 1.00 0.00 O ATOM 367 CB PRO A 28 4.919 6.386 -15.445 1.00 0.00 C ATOM 368 CG PRO A 28 3.510 6.867 -15.394 1.00 0.00 C ATOM 369 CD PRO A 28 3.318 7.716 -16.621 1.00 0.00 C ATOM 0 HA PRO A 28 6.260 6.435 -17.198 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.034 5.441 -14.914 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.598 7.099 -14.978 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.812 6.030 -15.385 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.327 7.444 -14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.299 7.647 -17.002 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.510 8.769 -16.415 1.00 0.00 H new ATOM 377 N THR A 29 4.078 4.602 -18.330 1.00 0.00 N ATOM 378 CA THR A 29 3.759 3.274 -18.837 1.00 0.00 C ATOM 379 C THR A 29 4.252 3.100 -20.269 1.00 0.00 C ATOM 380 O THR A 29 5.008 2.175 -20.568 1.00 0.00 O ATOM 381 CB THR A 29 2.243 3.005 -18.792 1.00 0.00 C ATOM 382 OG1 THR A 29 1.749 3.204 -17.463 1.00 0.00 O ATOM 383 CG2 THR A 29 1.931 1.588 -19.247 1.00 0.00 C ATOM 0 H THR A 29 3.551 5.358 -18.767 1.00 0.00 H new ATOM 0 HA THR A 29 4.267 2.558 -18.191 1.00 0.00 H new ATOM 0 HB THR A 29 1.753 3.704 -19.470 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.784 3.033 -17.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.855 1.422 -19.207 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.282 1.449 -20.270 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.433 0.876 -18.591 1.00 0.00 H new ATOM 391 N CYS A 30 3.819 3.994 -21.152 1.00 0.00 N ATOM 392 CA CYS A 30 4.217 3.939 -22.554 1.00 0.00 C ATOM 393 C CYS A 30 4.905 5.235 -22.974 1.00 0.00 C ATOM 394 O CYS A 30 5.294 5.396 -24.130 1.00 0.00 O ATOM 395 CB CYS A 30 2.997 3.686 -23.442 1.00 0.00 C ATOM 396 SG CYS A 30 1.469 4.482 -22.852 1.00 0.00 S ATOM 0 H CYS A 30 3.192 4.765 -20.921 1.00 0.00 H new ATOM 0 HA CYS A 30 4.923 3.117 -22.674 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.214 4.042 -24.449 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.830 2.611 -23.513 1.00 0.00 H new ATOM 0 HG CYS A 30 0.991 3.812 -21.846 1.00 0.00 H new ATOM 401 N ASN A 31 5.052 6.155 -22.027 1.00 0.00 N ATOM 402 CA ASN A 31 5.693 7.436 -22.299 1.00 0.00 C ATOM 403 C ASN A 31 5.148 8.056 -23.582 1.00 0.00 C ATOM 404 O ASN A 31 5.905 8.393 -24.492 1.00 0.00 O ATOM 405 CB ASN A 31 7.209 7.259 -22.409 1.00 0.00 C ATOM 406 CG ASN A 31 7.592 6.118 -23.332 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.683 4.966 -22.908 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.817 6.434 -24.602 1.00 0.00 N ATOM 0 H ASN A 31 4.736 6.037 -21.064 1.00 0.00 H new ATOM 0 HA ASN A 31 5.472 8.107 -21.469 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.655 8.184 -22.775 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.624 7.076 -21.418 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.077 5.708 -25.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.730 7.403 -24.910 1.00 0.00 H new ATOM 415 N VAL A 32 3.829 8.205 -23.647 1.00 0.00 N ATOM 416 CA VAL A 32 3.181 8.785 -24.817 1.00 0.00 C ATOM 417 C VAL A 32 1.848 9.426 -24.446 1.00 0.00 C ATOM 418 O VAL A 32 0.884 8.734 -24.120 1.00 0.00 O ATOM 419 CB VAL A 32 2.943 7.727 -25.910 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.242 7.404 -26.633 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.331 6.470 -25.310 1.00 0.00 C ATOM 0 H VAL A 32 3.188 7.932 -22.902 1.00 0.00 H new ATOM 0 HA VAL A 32 3.854 9.550 -25.204 1.00 0.00 H new ATOM 0 HB VAL A 32 2.241 8.134 -26.638 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.054 6.654 -27.402 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.635 8.309 -27.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.969 7.017 -25.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.169 5.733 -26.097 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.007 6.059 -24.560 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.378 6.717 -24.843 1.00 0.00 H new ATOM 431 N VAL A 33 1.801 10.753 -24.499 1.00 0.00 N ATOM 432 CA VAL A 33 0.585 11.488 -24.170 1.00 0.00 C ATOM 433 C VAL A 33 0.649 12.918 -24.694 1.00 0.00 C ATOM 434 O VAL A 33 1.600 13.300 -25.377 1.00 0.00 O ATOM 435 CB VAL A 33 0.343 11.521 -22.649 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.581 10.387 -22.231 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.664 11.448 -21.898 1.00 0.00 C ATOM 0 H VAL A 33 2.590 11.341 -24.766 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.241 10.964 -24.651 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.141 12.464 -22.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.741 10.426 -21.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.538 10.489 -22.743 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.128 9.432 -22.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.474 11.472 -20.825 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.178 10.522 -22.155 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.288 12.298 -22.176 1.00 0.00 H new ATOM 447 N THR A 34 -0.370 13.708 -24.370 1.00 0.00 N ATOM 448 CA THR A 34 -0.431 15.097 -24.808 1.00 0.00 C ATOM 449 C THR A 34 0.841 15.848 -24.433 1.00 0.00 C ATOM 450 O THR A 34 1.498 15.521 -23.445 1.00 0.00 O ATOM 451 CB THR A 34 -1.643 15.826 -24.198 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.804 14.992 -24.271 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.907 17.137 -24.924 1.00 0.00 C ATOM 0 H THR A 34 -1.165 13.409 -23.805 1.00 0.00 H new ATOM 0 HA THR A 34 -0.534 15.082 -25.893 1.00 0.00 H new ATOM 0 HB THR A 34 -1.420 16.046 -23.154 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.597 15.514 -24.029 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.767 17.634 -24.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.032 17.781 -24.841 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.111 16.936 -25.976 1.00 0.00 H new ATOM 461 N ARG A 35 1.184 16.856 -25.229 1.00 0.00 N ATOM 462 CA ARG A 35 2.379 17.653 -24.980 1.00 0.00 C ATOM 463 C ARG A 35 2.485 18.028 -23.505 1.00 0.00 C ATOM 464 O ARG A 35 3.536 17.863 -22.885 1.00 0.00 O ATOM 465 CB ARG A 35 2.361 18.919 -25.839 1.00 0.00 C ATOM 466 CG ARG A 35 3.747 19.436 -26.191 1.00 0.00 C ATOM 467 CD ARG A 35 4.259 18.821 -27.484 1.00 0.00 C ATOM 468 NE ARG A 35 5.539 19.393 -27.892 1.00 0.00 N ATOM 469 CZ ARG A 35 6.703 19.050 -27.351 1.00 0.00 C ATOM 470 NH1 ARG A 35 6.747 18.143 -26.385 1.00 0.00 N ATOM 471 NH2 ARG A 35 7.826 19.615 -27.777 1.00 0.00 N ATOM 0 H ARG A 35 0.651 17.140 -26.051 1.00 0.00 H new ATOM 0 HA ARG A 35 3.248 17.052 -25.248 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.814 18.716 -26.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.815 19.700 -25.309 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.718 20.521 -26.290 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.438 19.208 -25.380 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.368 17.744 -27.355 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.525 18.975 -28.275 1.00 0.00 H new ATOM 0 HE ARG A 35 5.540 20.094 -28.633 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.886 17.707 -26.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.642 17.881 -25.971 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.796 20.313 -28.520 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.719 19.351 -27.361 1.00 0.00 H new ATOM 485 N LYS A 36 1.390 18.534 -22.948 1.00 0.00 N ATOM 486 CA LYS A 36 1.357 18.932 -21.546 1.00 0.00 C ATOM 487 C LYS A 36 1.417 17.712 -20.632 1.00 0.00 C ATOM 488 O LYS A 36 1.776 17.818 -19.459 1.00 0.00 O ATOM 489 CB LYS A 36 0.091 19.740 -21.253 1.00 0.00 C ATOM 490 CG LYS A 36 0.226 21.219 -21.572 1.00 0.00 C ATOM 491 CD LYS A 36 1.149 21.920 -20.588 1.00 0.00 C ATOM 492 CE LYS A 36 0.408 22.332 -19.325 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.173 23.698 -19.444 1.00 0.00 N ATOM 0 H LYS A 36 0.512 18.678 -23.447 1.00 0.00 H new ATOM 0 HA LYS A 36 2.231 19.554 -21.351 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.736 19.326 -21.830 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.167 19.626 -20.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.612 21.340 -22.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.757 21.689 -21.548 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.975 21.258 -20.327 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.584 22.801 -21.060 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.388 21.615 -19.120 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.091 22.301 -18.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.670 23.942 -18.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.589 24.386 -19.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.844 23.722 -20.238 1.00 0.00 H new ATOM 507 N THR A 37 1.063 16.552 -21.177 1.00 0.00 N ATOM 508 CA THR A 37 1.077 15.312 -20.412 1.00 0.00 C ATOM 509 C THR A 37 0.298 15.461 -19.110 1.00 0.00 C ATOM 510 O THR A 37 0.601 14.801 -18.115 1.00 0.00 O ATOM 511 CB THR A 37 2.516 14.867 -20.088 1.00 0.00 C ATOM 512 OG1 THR A 37 3.095 15.748 -19.119 1.00 0.00 O ATOM 513 CG2 THR A 37 3.373 14.854 -21.345 1.00 0.00 C ATOM 0 H THR A 37 0.763 16.446 -22.146 1.00 0.00 H new ATOM 0 HA THR A 37 0.601 14.553 -21.033 1.00 0.00 H new ATOM 0 HB THR A 37 2.478 13.856 -19.682 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.453 16.453 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.385 14.537 -21.092 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.946 14.161 -22.070 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.403 15.855 -21.775 1.00 0.00 H new ATOM 521 N LEU A 38 -0.705 16.331 -19.122 1.00 0.00 N ATOM 522 CA LEU A 38 -1.529 16.567 -17.941 1.00 0.00 C ATOM 523 C LEU A 38 -3.010 16.406 -18.269 1.00 0.00 C ATOM 524 O LEU A 38 -3.706 15.593 -17.662 1.00 0.00 O ATOM 525 CB LEU A 38 -1.267 17.967 -17.384 1.00 0.00 C ATOM 526 CG LEU A 38 -0.180 18.071 -16.314 1.00 0.00 C ATOM 527 CD1 LEU A 38 0.163 19.527 -16.041 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.622 17.376 -15.034 1.00 0.00 C ATOM 0 H LEU A 38 -0.968 16.885 -19.937 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.261 15.827 -17.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.997 18.621 -18.213 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.198 18.350 -16.966 1.00 0.00 H new ATOM 0 HG LEU A 38 0.715 17.571 -16.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.938 19.581 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.524 19.994 -16.958 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.727 20.051 -15.693 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.164 17.460 -14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.532 17.846 -14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.816 16.323 -15.240 1.00 0.00 H new ATOM 540 N VAL A 39 -3.484 17.185 -19.236 1.00 0.00 N ATOM 541 CA VAL A 39 -4.882 17.127 -19.648 1.00 0.00 C ATOM 542 C VAL A 39 -5.223 15.767 -20.245 1.00 0.00 C ATOM 543 O VAL A 39 -6.327 15.256 -20.062 1.00 0.00 O ATOM 544 CB VAL A 39 -5.210 18.224 -20.678 1.00 0.00 C ATOM 545 CG1 VAL A 39 -4.899 19.601 -20.110 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.444 17.987 -21.971 1.00 0.00 C ATOM 0 H VAL A 39 -2.921 17.864 -19.749 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.482 17.289 -18.753 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.276 18.181 -20.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.137 20.363 -20.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.496 19.768 -19.214 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.840 19.660 -19.857 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.688 18.771 -22.687 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.373 18.002 -21.767 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.721 17.018 -22.386 1.00 0.00 H new ATOM 556 N GLY A 40 -4.266 15.183 -20.960 1.00 0.00 N ATOM 557 CA GLY A 40 -4.484 13.886 -21.573 1.00 0.00 C ATOM 558 C GLY A 40 -3.925 12.750 -20.740 1.00 0.00 C ATOM 559 O GLY A 40 -4.456 11.638 -20.758 1.00 0.00 O ATOM 0 H GLY A 40 -3.343 15.585 -21.126 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.553 13.732 -21.721 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.021 13.871 -22.560 1.00 0.00 H new ATOM 563 N LEU A 41 -2.851 13.027 -20.010 1.00 0.00 N ATOM 564 CA LEU A 41 -2.218 12.018 -19.167 1.00 0.00 C ATOM 565 C LEU A 41 -3.215 11.441 -18.167 1.00 0.00 C ATOM 566 O LEU A 41 -3.179 10.250 -17.854 1.00 0.00 O ATOM 567 CB LEU A 41 -1.025 12.621 -18.423 1.00 0.00 C ATOM 568 CG LEU A 41 -0.580 11.886 -17.159 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.425 10.797 -17.500 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.010 12.863 -16.153 1.00 0.00 C ATOM 0 H LEU A 41 -2.400 13.941 -19.984 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.867 11.211 -19.811 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.180 12.666 -19.109 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.272 13.648 -18.154 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.454 11.416 -16.709 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.730 10.285 -16.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.032 10.081 -18.183 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.299 11.244 -17.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.321 12.322 -15.260 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.873 13.362 -16.594 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.741 13.606 -15.884 1.00 0.00 H new ATOM 582 N LYS A 42 -4.107 12.291 -17.670 1.00 0.00 N ATOM 583 CA LYS A 42 -5.118 11.866 -16.709 1.00 0.00 C ATOM 584 C LYS A 42 -6.226 11.076 -17.398 1.00 0.00 C ATOM 585 O LYS A 42 -6.720 10.083 -16.863 1.00 0.00 O ATOM 586 CB LYS A 42 -5.712 13.081 -15.992 1.00 0.00 C ATOM 587 CG LYS A 42 -4.690 13.882 -15.204 1.00 0.00 C ATOM 588 CD LYS A 42 -5.150 15.314 -14.989 1.00 0.00 C ATOM 589 CE LYS A 42 -6.020 15.440 -13.748 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.234 15.245 -12.498 1.00 0.00 N ATOM 0 H LYS A 42 -4.150 13.280 -17.917 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.637 11.218 -15.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.183 13.733 -16.728 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.498 12.745 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.518 13.405 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.738 13.880 -15.734 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.282 15.966 -14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.708 15.653 -15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.490 16.423 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.823 14.704 -13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.724 14.565 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.290 14.880 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.139 16.154 -12.002 1.00 0.00 H new ATOM 604 N LYS A 43 -6.613 11.523 -18.588 1.00 0.00 N ATOM 605 CA LYS A 43 -7.661 10.857 -19.352 1.00 0.00 C ATOM 606 C LYS A 43 -7.093 9.688 -20.150 1.00 0.00 C ATOM 607 O LYS A 43 -7.840 8.876 -20.698 1.00 0.00 O ATOM 608 CB LYS A 43 -8.341 11.851 -20.297 1.00 0.00 C ATOM 609 CG LYS A 43 -8.922 13.062 -19.589 1.00 0.00 C ATOM 610 CD LYS A 43 -9.558 14.031 -20.573 1.00 0.00 C ATOM 611 CE LYS A 43 -9.513 15.460 -20.055 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.416 15.656 -18.887 1.00 0.00 N ATOM 0 H LYS A 43 -6.216 12.344 -19.044 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.399 10.470 -18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.617 12.187 -21.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.138 11.339 -20.837 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.668 12.737 -18.863 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.135 13.571 -19.032 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.039 13.973 -21.530 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.593 13.741 -20.754 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.491 15.711 -19.770 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.798 16.145 -20.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.356 16.643 -18.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.395 15.441 -19.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.128 15.021 -18.115 1.00 0.00 H new ATOM 626 N HIS A 44 -5.768 9.607 -20.211 1.00 0.00 N ATOM 627 CA HIS A 44 -5.100 8.535 -20.940 1.00 0.00 C ATOM 628 C HIS A 44 -4.733 7.387 -20.004 1.00 0.00 C ATOM 629 O HIS A 44 -4.851 6.217 -20.366 1.00 0.00 O ATOM 630 CB HIS A 44 -3.844 9.065 -21.633 1.00 0.00 C ATOM 631 CG HIS A 44 -2.859 7.995 -21.989 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.007 7.283 -21.215 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.668 7.547 -23.279 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.323 6.427 -22.043 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.741 6.606 -23.283 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.135 10.271 -19.764 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.790 8.158 -21.695 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.136 9.595 -22.540 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.359 9.792 -20.981 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.194 7.909 -24.150 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.566 5.722 -21.731 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.405 6.103 -24.104 1.00 0.00 H new ATOM 643 N MET A 45 -4.286 7.731 -18.801 1.00 0.00 N ATOM 644 CA MET A 45 -3.903 6.729 -17.813 1.00 0.00 C ATOM 645 C MET A 45 -5.118 5.938 -17.340 1.00 0.00 C ATOM 646 O MET A 45 -4.997 4.784 -16.930 1.00 0.00 O ATOM 647 CB MET A 45 -3.218 7.396 -16.618 1.00 0.00 C ATOM 648 CG MET A 45 -4.185 8.083 -15.669 1.00 0.00 C ATOM 649 SD MET A 45 -3.433 8.484 -14.080 1.00 0.00 S ATOM 650 CE MET A 45 -1.858 9.152 -14.610 1.00 0.00 C ATOM 0 H MET A 45 -4.180 8.696 -18.487 1.00 0.00 H new ATOM 0 HA MET A 45 -3.204 6.039 -18.285 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.654 6.644 -16.067 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.499 8.129 -16.984 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.555 8.998 -16.133 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.048 7.437 -15.505 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.261 9.414 -13.736 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.327 8.406 -15.202 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.026 10.043 -15.215 1.00 0.00 H new ATOM 660 N GLU A 46 -6.288 6.566 -17.402 1.00 0.00 N ATOM 661 CA GLU A 46 -7.525 5.920 -16.978 1.00 0.00 C ATOM 662 C GLU A 46 -7.726 4.597 -17.713 1.00 0.00 C ATOM 663 O GLU A 46 -8.198 3.618 -17.134 1.00 0.00 O ATOM 664 CB GLU A 46 -8.720 6.841 -17.229 1.00 0.00 C ATOM 665 CG GLU A 46 -8.586 7.684 -18.486 1.00 0.00 C ATOM 666 CD GLU A 46 -9.900 8.310 -18.911 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.317 9.301 -18.275 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.511 7.810 -19.878 1.00 0.00 O ATOM 0 H GLU A 46 -6.405 7.521 -17.741 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.451 5.716 -15.910 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.624 6.237 -17.302 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.846 7.501 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.852 8.471 -18.315 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.205 7.063 -19.297 1.00 0.00 H new ATOM 675 N VAL A 47 -7.364 4.576 -18.992 1.00 0.00 N ATOM 676 CA VAL A 47 -7.504 3.375 -19.806 1.00 0.00 C ATOM 677 C VAL A 47 -6.149 2.724 -20.063 1.00 0.00 C ATOM 678 O VAL A 47 -6.065 1.527 -20.339 1.00 0.00 O ATOM 679 CB VAL A 47 -8.175 3.687 -21.157 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.537 4.330 -20.940 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.282 4.584 -22.001 1.00 0.00 C ATOM 0 H VAL A 47 -6.972 5.377 -19.486 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.135 2.685 -19.246 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.323 2.750 -21.695 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.996 4.544 -21.905 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.175 3.649 -20.377 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.416 5.259 -20.382 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.772 4.794 -22.952 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.101 5.519 -21.471 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.332 4.082 -22.185 1.00 0.00 H new ATOM 691 N CYS A 48 -5.089 3.521 -19.971 1.00 0.00 N ATOM 692 CA CYS A 48 -3.737 3.024 -20.193 1.00 0.00 C ATOM 693 C CYS A 48 -3.534 1.676 -19.507 1.00 0.00 C ATOM 694 O CYS A 48 -3.141 0.699 -20.144 1.00 0.00 O ATOM 695 CB CYS A 48 -2.709 4.032 -19.675 1.00 0.00 C ATOM 696 SG CYS A 48 -0.981 3.581 -20.031 1.00 0.00 S ATOM 0 H CYS A 48 -5.141 4.514 -19.744 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.597 2.891 -21.266 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.917 5.007 -20.117 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.831 4.138 -18.597 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.215 4.615 -19.844 1.00 0.00 H new ATOM 701 N GLN A 49 -3.804 1.632 -18.207 1.00 0.00 N ATOM 702 CA GLN A 49 -3.650 0.405 -17.436 1.00 0.00 C ATOM 703 C GLN A 49 -4.333 -0.767 -18.135 1.00 0.00 C ATOM 704 O GLN A 49 -3.775 -1.861 -18.224 1.00 0.00 O ATOM 705 CB GLN A 49 -4.230 0.584 -16.031 1.00 0.00 C ATOM 706 CG GLN A 49 -3.534 1.664 -15.219 1.00 0.00 C ATOM 707 CD GLN A 49 -4.271 1.996 -13.937 1.00 0.00 C ATOM 708 OE1 GLN A 49 -5.401 2.484 -13.965 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.634 1.732 -12.802 1.00 0.00 N ATOM 0 H GLN A 49 -4.131 2.432 -17.665 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.585 0.187 -17.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.289 0.828 -16.113 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.161 -0.363 -15.495 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.523 1.337 -14.978 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.442 2.566 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.698 1.327 -12.825 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.081 1.934 -11.908 1.00 0.00 H new ATOM 718 N LYS A 50 -5.543 -0.530 -18.629 1.00 0.00 N ATOM 719 CA LYS A 50 -6.302 -1.564 -19.322 1.00 0.00 C ATOM 720 C LYS A 50 -5.557 -2.049 -20.561 1.00 0.00 C ATOM 721 O LYS A 50 -5.315 -3.246 -20.724 1.00 0.00 O ATOM 722 CB LYS A 50 -7.682 -1.033 -19.719 1.00 0.00 C ATOM 723 CG LYS A 50 -8.448 -1.962 -20.645 1.00 0.00 C ATOM 724 CD LYS A 50 -9.390 -1.191 -21.554 1.00 0.00 C ATOM 725 CE LYS A 50 -10.769 -1.041 -20.929 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.730 -0.385 -21.858 1.00 0.00 N ATOM 0 H LYS A 50 -6.019 0.369 -18.562 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.425 -2.406 -18.641 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.271 -0.866 -18.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.563 -0.065 -20.206 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.745 -2.535 -21.250 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.017 -2.679 -20.053 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.973 -0.205 -21.760 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.477 -1.706 -22.511 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.149 -2.023 -20.647 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.691 -0.455 -20.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.658 -0.301 -21.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.380 0.562 -22.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.824 -0.957 -22.721 1.00 0.00 H new ATOM 740 N LEU A 51 -5.193 -1.114 -21.431 1.00 0.00 N ATOM 741 CA LEU A 51 -4.473 -1.446 -22.655 1.00 0.00 C ATOM 742 C LEU A 51 -3.180 -2.192 -22.341 1.00 0.00 C ATOM 743 O LEU A 51 -2.846 -3.178 -22.997 1.00 0.00 O ATOM 744 CB LEU A 51 -4.163 -0.176 -23.449 1.00 0.00 C ATOM 745 CG LEU A 51 -5.345 0.469 -24.173 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.063 1.936 -24.455 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.649 -0.276 -25.465 1.00 0.00 C ATOM 0 H LEU A 51 -5.385 -0.119 -21.312 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.109 -2.096 -23.256 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.735 0.559 -22.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.396 -0.411 -24.186 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.220 0.407 -23.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.916 2.378 -24.971 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.895 2.462 -23.515 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.175 2.022 -25.082 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.493 0.196 -25.967 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.776 -0.246 -26.116 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.896 -1.313 -25.238 1.00 0.00 H new ATOM 759 N GLN A 52 -2.458 -1.714 -21.333 1.00 0.00 N ATOM 760 CA GLN A 52 -1.202 -2.337 -20.931 1.00 0.00 C ATOM 761 C GLN A 52 -1.289 -3.856 -21.037 1.00 0.00 C ATOM 762 O GLN A 52 -0.387 -4.503 -21.569 1.00 0.00 O ATOM 763 CB GLN A 52 -0.843 -1.933 -19.499 1.00 0.00 C ATOM 764 CG GLN A 52 0.471 -2.522 -19.013 1.00 0.00 C ATOM 765 CD GLN A 52 1.659 -1.631 -19.321 1.00 0.00 C ATOM 766 OE1 GLN A 52 1.739 -1.033 -20.394 1.00 0.00 O ATOM 767 NE2 GLN A 52 2.590 -1.539 -18.379 1.00 0.00 N ATOM 0 H GLN A 52 -2.721 -0.898 -20.780 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.420 -1.988 -21.606 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.788 -0.846 -19.440 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.643 -2.249 -18.830 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.415 -2.687 -17.937 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.622 -3.496 -19.478 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.483 -2.052 -17.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.412 -0.955 -18.530 1.00 0.00 H new ATOM 776 N ASP A 53 -2.379 -4.418 -20.527 1.00 0.00 N ATOM 777 CA ASP A 53 -2.585 -5.861 -20.565 1.00 0.00 C ATOM 778 C ASP A 53 -2.233 -6.424 -21.938 1.00 0.00 C ATOM 779 O ASP A 53 -1.565 -7.452 -22.046 1.00 0.00 O ATOM 780 CB ASP A 53 -4.035 -6.200 -20.217 1.00 0.00 C ATOM 781 CG ASP A 53 -4.926 -6.255 -21.442 1.00 0.00 C ATOM 782 OD1 ASP A 53 -5.107 -5.204 -22.091 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.444 -7.349 -21.751 1.00 0.00 O ATOM 0 H ASP A 53 -3.134 -3.896 -20.082 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.926 -6.317 -19.826 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.067 -7.161 -19.704 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.423 -5.455 -19.522 1.00 0.00 H new ATOM 788 N ALA A 54 -2.687 -5.744 -22.985 1.00 0.00 N ATOM 789 CA ALA A 54 -2.420 -6.175 -24.352 1.00 0.00 C ATOM 790 C ALA A 54 -0.921 -6.286 -24.609 1.00 0.00 C ATOM 791 O ALA A 54 -0.415 -7.359 -24.940 1.00 0.00 O ATOM 792 CB ALA A 54 -3.058 -5.214 -25.343 1.00 0.00 C ATOM 0 H ALA A 54 -3.242 -4.891 -22.913 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.860 -7.163 -24.488 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.850 -5.548 -26.359 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.136 -5.188 -25.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.646 -4.215 -25.198 1.00 0.00 H new ATOM 798 N LEU A 55 -0.215 -5.171 -24.455 1.00 0.00 N ATOM 799 CA LEU A 55 1.227 -5.142 -24.671 1.00 0.00 C ATOM 800 C LEU A 55 1.912 -6.287 -23.930 1.00 0.00 C ATOM 801 O LEU A 55 2.848 -6.901 -24.442 1.00 0.00 O ATOM 802 CB LEU A 55 1.806 -3.803 -24.210 1.00 0.00 C ATOM 803 CG LEU A 55 1.646 -2.633 -25.181 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.596 -1.315 -24.425 1.00 0.00 C ATOM 805 CD2 LEU A 55 2.779 -2.625 -26.197 1.00 0.00 C ATOM 0 H LEU A 55 -0.618 -4.275 -24.181 1.00 0.00 H new ATOM 0 HA LEU A 55 1.411 -5.262 -25.739 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.335 -3.532 -23.265 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.869 -3.939 -24.009 1.00 0.00 H new ATOM 0 HG LEU A 55 0.705 -2.756 -25.717 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.482 -0.494 -25.133 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.750 -1.322 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.520 -1.183 -23.862 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.649 -1.786 -26.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.732 -2.526 -25.678 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.768 -3.557 -26.762 1.00 0.00 H new ATOM 817 N LYS A 56 1.437 -6.570 -22.722 1.00 0.00 N ATOM 818 CA LYS A 56 2.000 -7.643 -21.911 1.00 0.00 C ATOM 819 C LYS A 56 2.071 -8.945 -22.704 1.00 0.00 C ATOM 820 O LYS A 56 1.045 -9.542 -23.030 1.00 0.00 O ATOM 821 CB LYS A 56 1.161 -7.849 -20.648 1.00 0.00 C ATOM 822 CG LYS A 56 1.782 -8.817 -19.656 1.00 0.00 C ATOM 823 CD LYS A 56 0.721 -9.556 -18.858 1.00 0.00 C ATOM 824 CE LYS A 56 0.215 -10.781 -19.604 1.00 0.00 C ATOM 825 NZ LYS A 56 -0.934 -10.453 -20.492 1.00 0.00 N ATOM 0 H LYS A 56 0.663 -6.071 -22.283 1.00 0.00 H new ATOM 0 HA LYS A 56 3.012 -7.356 -21.626 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.013 -6.886 -20.159 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.175 -8.217 -20.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.404 -9.536 -20.189 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.436 -8.272 -18.976 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.133 -9.859 -17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.113 -8.885 -18.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.024 -11.204 -20.199 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.086 -11.544 -18.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.536 -11.293 -20.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.490 -9.682 -20.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.579 -10.154 -21.423 1.00 0.00 H new ATOM 839 N CYS A 57 3.289 -9.380 -23.009 1.00 0.00 N ATOM 840 CA CYS A 57 3.495 -10.611 -23.762 1.00 0.00 C ATOM 841 C CYS A 57 2.917 -11.809 -23.015 1.00 0.00 C ATOM 842 O CYS A 57 2.329 -11.660 -21.945 1.00 0.00 O ATOM 843 CB CYS A 57 4.987 -10.830 -24.024 1.00 0.00 C ATOM 844 SG CYS A 57 5.348 -11.728 -25.567 1.00 0.00 S ATOM 0 H CYS A 57 4.149 -8.898 -22.746 1.00 0.00 H new ATOM 0 HA CYS A 57 2.976 -10.515 -24.716 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.485 -9.861 -24.055 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.415 -11.382 -23.187 1.00 0.00 H new ATOM 0 HG CYS A 57 6.555 -11.447 -25.960 1.00 0.00 H new ATOM 849 N GLN A 58 3.090 -12.996 -23.588 1.00 0.00 N ATOM 850 CA GLN A 58 2.585 -14.219 -22.977 1.00 0.00 C ATOM 851 C GLN A 58 3.713 -15.221 -22.751 1.00 0.00 C ATOM 852 O GLN A 58 3.963 -15.647 -21.623 1.00 0.00 O ATOM 853 CB GLN A 58 1.500 -14.844 -23.856 1.00 0.00 C ATOM 854 CG GLN A 58 0.163 -14.126 -23.775 1.00 0.00 C ATOM 855 CD GLN A 58 -0.817 -14.596 -24.831 1.00 0.00 C ATOM 856 OE1 GLN A 58 -0.420 -15.058 -25.901 1.00 0.00 O ATOM 857 NE2 GLN A 58 -2.107 -14.481 -24.536 1.00 0.00 N ATOM 0 H GLN A 58 3.576 -13.136 -24.474 1.00 0.00 H new ATOM 0 HA GLN A 58 2.154 -13.960 -22.010 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.840 -14.846 -24.892 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.362 -15.885 -23.564 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.270 -14.283 -22.787 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.324 -13.054 -23.886 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.392 -14.092 -23.637 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.813 -14.781 -25.208 1.00 0.00 H new ATOM 866 N HIS A 59 4.391 -15.594 -23.832 1.00 0.00 N ATOM 867 CA HIS A 59 5.493 -16.546 -23.752 1.00 0.00 C ATOM 868 C HIS A 59 6.529 -16.093 -22.728 1.00 0.00 C ATOM 869 O HIS A 59 7.036 -16.897 -21.945 1.00 0.00 O ATOM 870 CB HIS A 59 6.151 -16.713 -25.122 1.00 0.00 C ATOM 871 CG HIS A 59 5.191 -17.098 -26.205 1.00 0.00 C ATOM 872 ND1 HIS A 59 4.238 -18.081 -26.051 1.00 0.00 N ATOM 873 CD2 HIS A 59 5.040 -16.623 -27.464 1.00 0.00 C ATOM 874 CE1 HIS A 59 3.543 -18.197 -27.168 1.00 0.00 C ATOM 875 NE2 HIS A 59 4.009 -17.323 -28.042 1.00 0.00 N ATOM 0 H HIS A 59 4.197 -15.252 -24.773 1.00 0.00 H new ATOM 0 HA HIS A 59 5.089 -17.506 -23.432 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.640 -15.779 -25.397 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.930 -17.472 -25.052 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.622 -15.840 -27.927 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.731 -18.889 -27.338 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.660 -17.190 -28.991 1.00 0.00 H new ATOM 883 N CYS A 60 6.841 -14.801 -22.741 1.00 0.00 N ATOM 884 CA CYS A 60 7.817 -14.241 -21.815 1.00 0.00 C ATOM 885 C CYS A 60 7.123 -13.524 -20.660 1.00 0.00 C ATOM 886 O CYS A 60 7.730 -13.271 -19.619 1.00 0.00 O ATOM 887 CB CYS A 60 8.746 -13.270 -22.547 1.00 0.00 C ATOM 888 SG CYS A 60 7.971 -11.677 -22.972 1.00 0.00 S ATOM 0 H CYS A 60 6.431 -14.123 -23.383 1.00 0.00 H new ATOM 0 HA CYS A 60 8.407 -15.062 -21.408 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.621 -13.082 -21.924 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.102 -13.744 -23.462 1.00 0.00 H new ATOM 0 HG CYS A 60 8.165 -11.422 -24.232 1.00 0.00 H new ATOM 893 N ARG A 61 5.849 -13.201 -20.852 1.00 0.00 N ATOM 894 CA ARG A 61 5.072 -12.514 -19.827 1.00 0.00 C ATOM 895 C ARG A 61 5.811 -11.278 -19.322 1.00 0.00 C ATOM 896 O ARG A 61 5.926 -11.060 -18.116 1.00 0.00 O ATOM 897 CB ARG A 61 4.779 -13.458 -18.660 1.00 0.00 C ATOM 898 CG ARG A 61 3.460 -14.203 -18.795 1.00 0.00 C ATOM 899 CD ARG A 61 2.318 -13.435 -18.148 1.00 0.00 C ATOM 900 NE ARG A 61 1.286 -14.327 -17.627 1.00 0.00 N ATOM 901 CZ ARG A 61 0.394 -14.946 -18.393 1.00 0.00 C ATOM 902 NH1 ARG A 61 0.409 -14.771 -19.707 1.00 0.00 N ATOM 903 NH2 ARG A 61 -0.515 -15.742 -17.844 1.00 0.00 N ATOM 0 H ARG A 61 5.332 -13.404 -21.708 1.00 0.00 H new ATOM 0 HA ARG A 61 4.130 -12.196 -20.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.589 -14.183 -18.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.769 -12.884 -17.733 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.239 -14.366 -19.850 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.547 -15.186 -18.332 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.708 -12.819 -17.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.877 -12.757 -18.879 1.00 0.00 H new ATOM 0 HE ARG A 61 1.248 -14.484 -16.620 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.106 -14.160 -20.132 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.277 -15.247 -20.293 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.529 -15.879 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.199 -16.217 -18.433 1.00 0.00 H new ATOM 917 N LYS A 62 6.311 -10.473 -20.253 1.00 0.00 N ATOM 918 CA LYS A 62 7.039 -9.259 -19.905 1.00 0.00 C ATOM 919 C LYS A 62 6.282 -8.018 -20.369 1.00 0.00 C ATOM 920 O LYS A 62 5.547 -8.063 -21.356 1.00 0.00 O ATOM 921 CB LYS A 62 8.436 -9.280 -20.528 1.00 0.00 C ATOM 922 CG LYS A 62 9.283 -8.072 -20.165 1.00 0.00 C ATOM 923 CD LYS A 62 10.710 -8.220 -20.666 1.00 0.00 C ATOM 924 CE LYS A 62 11.673 -7.350 -19.873 1.00 0.00 C ATOM 925 NZ LYS A 62 13.051 -7.913 -19.866 1.00 0.00 N ATOM 0 H LYS A 62 6.225 -10.640 -21.256 1.00 0.00 H new ATOM 0 HA LYS A 62 7.133 -9.221 -18.820 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.953 -10.185 -20.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.340 -9.333 -21.612 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.838 -7.173 -20.592 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.288 -7.942 -19.083 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.016 -9.264 -20.592 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.756 -7.948 -21.720 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.692 -6.347 -20.300 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.315 -7.253 -18.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.677 -7.291 -19.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.037 -8.860 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.403 -7.982 -20.842 1.00 0.00 H new ATOM 939 N GLN A 63 6.469 -6.914 -19.654 1.00 0.00 N ATOM 940 CA GLN A 63 5.804 -5.662 -19.995 1.00 0.00 C ATOM 941 C GLN A 63 6.604 -4.886 -21.035 1.00 0.00 C ATOM 942 O GLN A 63 7.833 -4.953 -21.065 1.00 0.00 O ATOM 943 CB GLN A 63 5.609 -4.806 -18.742 1.00 0.00 C ATOM 944 CG GLN A 63 4.385 -3.906 -18.805 1.00 0.00 C ATOM 945 CD GLN A 63 4.446 -2.918 -19.953 1.00 0.00 C ATOM 946 OE1 GLN A 63 3.407 -2.908 -20.781 1.00 0.00 O flip ATOM 947 NE2 GLN A 63 5.416 -2.173 -20.096 1.00 0.00 N flip ATOM 0 H GLN A 63 7.075 -6.861 -18.835 1.00 0.00 H new ATOM 0 HA GLN A 63 4.829 -5.902 -20.419 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.524 -5.460 -17.874 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.495 -4.190 -18.591 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.491 -4.521 -18.907 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.291 -3.361 -17.866 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.193 -2.214 -19.436 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.443 -1.514 -20.874 1.00 0.00 H new ATOM 956 N PHE A 64 5.900 -4.150 -21.888 1.00 0.00 N ATOM 957 CA PHE A 64 6.545 -3.362 -22.932 1.00 0.00 C ATOM 958 C PHE A 64 5.970 -1.949 -22.980 1.00 0.00 C ATOM 959 O PHE A 64 4.758 -1.762 -23.087 1.00 0.00 O ATOM 960 CB PHE A 64 6.374 -4.041 -24.292 1.00 0.00 C ATOM 961 CG PHE A 64 7.265 -5.235 -24.482 1.00 0.00 C ATOM 962 CD1 PHE A 64 7.002 -6.425 -23.822 1.00 0.00 C ATOM 963 CD2 PHE A 64 8.367 -5.168 -25.320 1.00 0.00 C ATOM 964 CE1 PHE A 64 7.820 -7.525 -23.995 1.00 0.00 C ATOM 965 CE2 PHE A 64 9.188 -6.265 -25.497 1.00 0.00 C ATOM 966 CZ PHE A 64 8.914 -7.445 -24.833 1.00 0.00 C ATOM 0 H PHE A 64 4.882 -4.083 -21.877 1.00 0.00 H new ATOM 0 HA PHE A 64 7.608 -3.295 -22.698 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.335 -4.351 -24.406 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.579 -3.316 -25.080 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.148 -6.493 -23.165 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.586 -4.248 -25.841 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.604 -8.447 -23.475 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.043 -6.200 -26.154 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.555 -8.304 -24.969 1.00 0.00 H new ATOM 976 N LYS A 65 6.850 -0.956 -22.901 1.00 0.00 N ATOM 977 CA LYS A 65 6.433 0.441 -22.936 1.00 0.00 C ATOM 978 C LYS A 65 6.488 0.989 -24.358 1.00 0.00 C ATOM 979 O LYS A 65 6.828 2.153 -24.572 1.00 0.00 O ATOM 980 CB LYS A 65 7.322 1.283 -22.018 1.00 0.00 C ATOM 981 CG LYS A 65 8.777 1.325 -22.452 1.00 0.00 C ATOM 982 CD LYS A 65 9.616 0.315 -21.688 1.00 0.00 C ATOM 983 CE LYS A 65 10.884 -0.044 -22.448 1.00 0.00 C ATOM 984 NZ LYS A 65 10.584 -0.752 -23.724 1.00 0.00 N ATOM 0 H LYS A 65 7.857 -1.093 -22.812 1.00 0.00 H new ATOM 0 HA LYS A 65 5.403 0.496 -22.584 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.933 2.300 -21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.265 0.884 -21.005 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.845 1.122 -23.521 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.177 2.326 -22.292 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.879 0.723 -20.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.030 -0.586 -21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.449 0.863 -22.660 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.516 -0.674 -21.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.412 -1.311 -24.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.770 -1.385 -23.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.360 -0.055 -24.463 1.00 0.00 H new ATOM 998 N SER A 66 6.151 0.144 -25.327 1.00 0.00 N ATOM 999 CA SER A 66 6.165 0.544 -26.730 1.00 0.00 C ATOM 1000 C SER A 66 5.504 -0.517 -27.604 1.00 0.00 C ATOM 1001 O SER A 66 5.667 -1.716 -27.377 1.00 0.00 O ATOM 1002 CB SER A 66 7.601 0.786 -27.199 1.00 0.00 C ATOM 1003 OG SER A 66 7.625 1.315 -28.513 1.00 0.00 O ATOM 0 H SER A 66 5.865 -0.822 -25.167 1.00 0.00 H new ATOM 0 HA SER A 66 5.599 1.471 -26.824 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.099 1.475 -26.517 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.159 -0.150 -27.170 1.00 0.00 H new ATOM 0 HG SER A 66 8.554 1.463 -28.789 1.00 0.00 H new ATOM 1009 N LYS A 67 4.755 -0.067 -28.606 1.00 0.00 N ATOM 1010 CA LYS A 67 4.069 -0.975 -29.516 1.00 0.00 C ATOM 1011 C LYS A 67 5.053 -1.614 -30.492 1.00 0.00 C ATOM 1012 O LYS A 67 5.014 -2.822 -30.725 1.00 0.00 O ATOM 1013 CB LYS A 67 2.980 -0.229 -30.290 1.00 0.00 C ATOM 1014 CG LYS A 67 1.706 -0.013 -29.492 1.00 0.00 C ATOM 1015 CD LYS A 67 1.756 1.283 -28.701 1.00 0.00 C ATOM 1016 CE LYS A 67 0.424 1.577 -28.028 1.00 0.00 C ATOM 1017 NZ LYS A 67 0.280 3.020 -27.689 1.00 0.00 N ATOM 0 H LYS A 67 4.608 0.922 -28.808 1.00 0.00 H new ATOM 0 HA LYS A 67 3.608 -1.764 -28.922 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.369 0.739 -30.606 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.742 -0.788 -31.195 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.851 0.005 -30.168 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.556 -0.851 -28.811 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.540 1.220 -27.946 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.019 2.106 -29.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.390 1.276 -28.687 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.336 0.980 -27.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.641 3.179 -27.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.042 3.302 -27.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.338 3.588 -28.558 1.00 0.00 H new ATOM 1031 N ALA A 68 5.934 -0.796 -31.057 1.00 0.00 N ATOM 1032 CA ALA A 68 6.930 -1.282 -32.004 1.00 0.00 C ATOM 1033 C ALA A 68 7.850 -2.310 -31.354 1.00 0.00 C ATOM 1034 O ALA A 68 8.207 -3.314 -31.968 1.00 0.00 O ATOM 1035 CB ALA A 68 7.742 -0.121 -32.558 1.00 0.00 C ATOM 0 H ALA A 68 5.979 0.207 -30.876 1.00 0.00 H new ATOM 0 HA ALA A 68 6.406 -1.770 -32.826 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.482 -0.499 -33.264 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.078 0.577 -33.067 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.249 0.391 -31.740 1.00 0.00 H new ATOM 1041 N GLY A 69 8.230 -2.053 -30.106 1.00 0.00 N ATOM 1042 CA GLY A 69 9.106 -2.965 -29.394 1.00 0.00 C ATOM 1043 C GLY A 69 8.524 -4.361 -29.285 1.00 0.00 C ATOM 1044 O GLY A 69 9.232 -5.353 -29.465 1.00 0.00 O ATOM 0 H GLY A 69 7.947 -1.229 -29.575 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.067 -3.014 -29.905 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.296 -2.575 -28.394 1.00 0.00 H new ATOM 1048 N LEU A 70 7.231 -4.439 -28.988 1.00 0.00 N ATOM 1049 CA LEU A 70 6.554 -5.724 -28.853 1.00 0.00 C ATOM 1050 C LEU A 70 6.412 -6.409 -30.209 1.00 0.00 C ATOM 1051 O LEU A 70 6.809 -7.561 -30.378 1.00 0.00 O ATOM 1052 CB LEU A 70 5.175 -5.532 -28.219 1.00 0.00 C ATOM 1053 CG LEU A 70 4.406 -6.811 -27.887 1.00 0.00 C ATOM 1054 CD1 LEU A 70 5.072 -7.552 -26.737 1.00 0.00 C ATOM 1055 CD2 LEU A 70 2.957 -6.489 -27.548 1.00 0.00 C ATOM 0 H LEU A 70 6.631 -3.628 -28.836 1.00 0.00 H new ATOM 0 HA LEU A 70 7.159 -6.360 -28.207 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.296 -4.956 -27.302 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.567 -4.931 -28.895 1.00 0.00 H new ATOM 0 HG LEU A 70 4.419 -7.458 -28.764 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.510 -8.459 -26.515 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.092 -7.816 -27.016 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.091 -6.912 -25.855 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.424 -7.411 -27.314 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.924 -5.823 -26.686 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.483 -6.003 -28.401 1.00 0.00 H new ATOM 1067 N ASN A 71 5.844 -5.691 -31.172 1.00 0.00 N ATOM 1068 CA ASN A 71 5.651 -6.230 -32.514 1.00 0.00 C ATOM 1069 C ASN A 71 6.878 -7.015 -32.967 1.00 0.00 C ATOM 1070 O ASN A 71 6.769 -8.164 -33.395 1.00 0.00 O ATOM 1071 CB ASN A 71 5.362 -5.099 -33.503 1.00 0.00 C ATOM 1072 CG ASN A 71 4.212 -4.218 -33.054 1.00 0.00 C ATOM 1073 OD1 ASN A 71 3.298 -4.674 -32.368 1.00 0.00 O ATOM 1074 ND2 ASN A 71 4.254 -2.948 -33.442 1.00 0.00 N ATOM 0 H ASN A 71 5.509 -4.735 -31.049 1.00 0.00 H new ATOM 0 HA ASN A 71 4.798 -6.908 -32.487 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.257 -4.489 -33.625 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.131 -5.524 -34.480 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.508 -2.307 -33.171 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.032 -2.614 -34.011 1.00 0.00 H new ATOM 1081 N TYR A 72 8.045 -6.388 -32.868 1.00 0.00 N ATOM 1082 CA TYR A 72 9.293 -7.027 -33.269 1.00 0.00 C ATOM 1083 C TYR A 72 9.692 -8.113 -32.275 1.00 0.00 C ATOM 1084 O TYR A 72 9.845 -9.279 -32.641 1.00 0.00 O ATOM 1085 CB TYR A 72 10.409 -5.987 -33.381 1.00 0.00 C ATOM 1086 CG TYR A 72 11.541 -6.410 -34.290 1.00 0.00 C ATOM 1087 CD1 TYR A 72 11.321 -6.649 -35.641 1.00 0.00 C ATOM 1088 CD2 TYR A 72 12.831 -6.569 -33.798 1.00 0.00 C ATOM 1089 CE1 TYR A 72 12.351 -7.036 -36.475 1.00 0.00 C ATOM 1090 CE2 TYR A 72 13.868 -6.954 -34.626 1.00 0.00 C ATOM 1091 CZ TYR A 72 13.623 -7.187 -35.963 1.00 0.00 C ATOM 1092 OH TYR A 72 14.653 -7.571 -36.791 1.00 0.00 O ATOM 0 H TYR A 72 8.153 -5.438 -32.513 1.00 0.00 H new ATOM 0 HA TYR A 72 9.138 -7.491 -34.243 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.987 -5.052 -33.750 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.808 -5.786 -32.387 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.327 -6.530 -36.046 1.00 0.00 H new ATOM 0 HD2 TYR A 72 13.026 -6.389 -32.751 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.162 -7.219 -37.522 1.00 0.00 H new ATOM 0 HE2 TYR A 72 14.865 -7.072 -34.228 1.00 0.00 H new ATOM 0 HH TYR A 72 15.484 -7.630 -36.274 1.00 0.00 H new ATOM 1102 N HIS A 73 9.858 -7.722 -31.016 1.00 0.00 N ATOM 1103 CA HIS A 73 10.238 -8.663 -29.967 1.00 0.00 C ATOM 1104 C HIS A 73 9.509 -9.992 -30.139 1.00 0.00 C ATOM 1105 O HIS A 73 10.136 -11.046 -30.255 1.00 0.00 O ATOM 1106 CB HIS A 73 9.932 -8.074 -28.590 1.00 0.00 C ATOM 1107 CG HIS A 73 9.604 -9.107 -27.557 1.00 0.00 C ATOM 1108 ND1 HIS A 73 10.544 -9.643 -26.702 1.00 0.00 N ATOM 1109 CD2 HIS A 73 8.429 -9.702 -27.241 1.00 0.00 C ATOM 1110 CE1 HIS A 73 9.963 -10.524 -25.908 1.00 0.00 C ATOM 1111 NE2 HIS A 73 8.679 -10.579 -26.214 1.00 0.00 N ATOM 0 H HIS A 73 9.736 -6.761 -30.697 1.00 0.00 H new ATOM 0 HA HIS A 73 11.310 -8.844 -30.046 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.791 -7.495 -28.253 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.095 -7.381 -28.678 1.00 0.00 H new ATOM 0 HD1 HIS A 73 11.534 -9.397 -26.685 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.473 -9.521 -27.710 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.454 -11.102 -25.139 1.00 0.00 H new ATOM 1119 N THR A 74 8.181 -9.936 -30.155 1.00 0.00 N ATOM 1120 CA THR A 74 7.367 -11.134 -30.310 1.00 0.00 C ATOM 1121 C THR A 74 8.002 -12.106 -31.299 1.00 0.00 C ATOM 1122 O THR A 74 7.977 -13.319 -31.094 1.00 0.00 O ATOM 1123 CB THR A 74 5.944 -10.789 -30.789 1.00 0.00 C ATOM 1124 OG1 THR A 74 5.359 -9.812 -29.921 1.00 0.00 O ATOM 1125 CG2 THR A 74 5.069 -12.033 -30.825 1.00 0.00 C ATOM 0 H THR A 74 7.646 -9.072 -30.062 1.00 0.00 H new ATOM 0 HA THR A 74 7.308 -11.605 -29.329 1.00 0.00 H new ATOM 0 HB THR A 74 6.012 -10.383 -31.798 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.743 -8.931 -30.114 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.069 -11.765 -31.166 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.502 -12.763 -31.509 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.008 -12.464 -29.826 1.00 0.00 H new ATOM 1133 N MET A 75 8.571 -11.564 -32.371 1.00 0.00 N ATOM 1134 CA MET A 75 9.215 -12.384 -33.390 1.00 0.00 C ATOM 1135 C MET A 75 10.666 -12.674 -33.019 1.00 0.00 C ATOM 1136 O MET A 75 11.076 -13.831 -32.933 1.00 0.00 O ATOM 1137 CB MET A 75 9.153 -11.687 -34.750 1.00 0.00 C ATOM 1138 CG MET A 75 10.034 -12.335 -35.806 1.00 0.00 C ATOM 1139 SD MET A 75 9.379 -12.136 -37.474 1.00 0.00 S ATOM 1140 CE MET A 75 10.348 -10.746 -38.055 1.00 0.00 C ATOM 0 H MET A 75 8.599 -10.561 -32.556 1.00 0.00 H new ATOM 0 HA MET A 75 8.679 -13.331 -33.451 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.121 -11.685 -35.101 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.451 -10.646 -34.629 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.032 -11.900 -35.758 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.138 -13.397 -35.585 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.058 -10.502 -39.077 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.170 -9.884 -37.412 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.407 -11.005 -38.031 1.00 0.00 H new ATOM 1150 N ALA A 76 11.439 -11.614 -32.801 1.00 0.00 N ATOM 1151 CA ALA A 76 12.843 -11.755 -32.437 1.00 0.00 C ATOM 1152 C ALA A 76 13.018 -12.758 -31.302 1.00 0.00 C ATOM 1153 O ALA A 76 13.742 -13.744 -31.439 1.00 0.00 O ATOM 1154 CB ALA A 76 13.425 -10.405 -32.046 1.00 0.00 C ATOM 0 H ALA A 76 11.116 -10.649 -32.870 1.00 0.00 H new ATOM 0 HA ALA A 76 13.382 -12.132 -33.306 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.474 -10.525 -31.777 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.343 -9.716 -32.887 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.875 -10.005 -31.194 1.00 0.00 H new ATOM 1160 N GLU A 77 12.352 -12.499 -30.181 1.00 0.00 N ATOM 1161 CA GLU A 77 12.436 -13.379 -29.022 1.00 0.00 C ATOM 1162 C GLU A 77 11.680 -14.681 -29.271 1.00 0.00 C ATOM 1163 O GLU A 77 12.233 -15.771 -29.127 1.00 0.00 O ATOM 1164 CB GLU A 77 11.877 -12.680 -27.781 1.00 0.00 C ATOM 1165 CG GLU A 77 12.911 -11.863 -27.024 1.00 0.00 C ATOM 1166 CD GLU A 77 14.223 -12.603 -26.847 1.00 0.00 C ATOM 1167 OE1 GLU A 77 14.276 -13.525 -26.007 1.00 0.00 O ATOM 1168 OE2 GLU A 77 15.196 -12.258 -27.549 1.00 0.00 O ATOM 0 H GLU A 77 11.749 -11.687 -30.051 1.00 0.00 H new ATOM 0 HA GLU A 77 13.486 -13.616 -28.854 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.058 -12.026 -28.081 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.457 -13.430 -27.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.093 -10.930 -27.558 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.513 -11.597 -26.045 1.00 0.00 H new ATOM 1175 N HIS A 78 10.410 -14.558 -29.644 1.00 0.00 N ATOM 1176 CA HIS A 78 9.576 -15.724 -29.913 1.00 0.00 C ATOM 1177 C HIS A 78 9.312 -15.870 -31.409 1.00 0.00 C ATOM 1178 O HIS A 78 8.221 -15.565 -31.889 1.00 0.00 O ATOM 1179 CB HIS A 78 8.251 -15.615 -29.158 1.00 0.00 C ATOM 1180 CG HIS A 78 8.389 -15.025 -27.789 1.00 0.00 C ATOM 1181 ND1 HIS A 78 9.464 -15.281 -26.964 1.00 0.00 N ATOM 1182 CD2 HIS A 78 7.580 -14.185 -27.101 1.00 0.00 C ATOM 1183 CE1 HIS A 78 9.309 -14.626 -25.827 1.00 0.00 C ATOM 1184 NE2 HIS A 78 8.174 -13.953 -25.885 1.00 0.00 N ATOM 0 H HIS A 78 9.936 -13.663 -29.767 1.00 0.00 H new ATOM 0 HA HIS A 78 10.110 -16.609 -29.568 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.560 -15.005 -29.740 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.807 -16.607 -29.074 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.642 -13.774 -27.445 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.994 -14.639 -24.992 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.800 -13.358 -25.146 1.00 0.00 H new