USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 86 MET CE :methyl 177:sc= -0.086 (180deg=-0.105) USER MOD Set 1.2: A 91 MET CE :methyl -115:sc= -0.175 (180deg=0) USER MOD Set 2.1: A 44 CYS SG : rot 73:sc= -0.273 USER MOD Set 2.2: A 68 ASN : amide:sc= -2.85! C(o=-3.1!,f=-5.2!) USER MOD Set 3.1: A 25 TYR OH : rot 55:sc= 0.609 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -1.78! C(o=-1.2!,f=-3.4!) USER MOD Single : A 12 SER OG : rot 28:sc= 0.0194 USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= 0.232 (180deg=-0.441) USER MOD Single : A 18 CYS SG : rot -146:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 21 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.3!) USER MOD Single : A 22 THR OG1 : rot -89:sc= 1.1 USER MOD Single : A 29 ASN : amide:sc= -1.05! C(o=-1.1!,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 35 MET CE :methyl -157:sc= -0.114 (180deg=-0.625) USER MOD Single : A 36 SER OG : rot 78:sc= 1.06 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0.305 (180deg=0.295) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 39:sc= 1.07 USER MOD Single : A 59 SER OG : rot -62:sc= 1.09 USER MOD Single : A 63 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.9!) USER MOD Single : A 64 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.92) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.4! C(o=-3.4!,f=-5.9!) USER MOD Single : A 70 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.061) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 32:sc= 0.102 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 85:sc= 0.157 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= -2.37 (180deg=-2.37) USER MOD Single : A 104 MET CE :methyl 141:sc= -0.866 (180deg=-1.24) USER MOD Single : A 105 TYR OH : rot -84:sc= 0.707 USER MOD Single : A 107 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 108 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.6!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 7.993 -9.402 -7.071 1.00 0.00 N ATOM 128 CA SER A 12 7.883 -8.328 -8.050 1.00 0.00 C ATOM 129 C SER A 12 8.686 -7.107 -7.611 1.00 0.00 C ATOM 130 O SER A 12 8.802 -6.821 -6.419 1.00 0.00 O ATOM 131 CB SER A 12 6.417 -7.941 -8.253 1.00 0.00 C ATOM 132 OG SER A 12 5.680 -9.013 -8.815 1.00 0.00 O ATOM 0 HA SER A 12 8.290 -8.689 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.977 -7.655 -7.297 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.354 -7.071 -8.906 1.00 0.00 H new ATOM 0 HG SER A 12 6.089 -9.864 -8.553 1.00 0.00 H new ATOM 138 N LYS A 13 9.241 -6.390 -8.583 1.00 0.00 N ATOM 139 CA LYS A 13 10.033 -5.200 -8.299 1.00 0.00 C ATOM 140 C LYS A 13 9.324 -4.302 -7.290 1.00 0.00 C ATOM 141 O LYS A 13 9.927 -3.845 -6.319 1.00 0.00 O ATOM 142 CB LYS A 13 10.301 -4.422 -9.589 1.00 0.00 C ATOM 143 CG LYS A 13 11.002 -3.093 -9.364 1.00 0.00 C ATOM 144 CD LYS A 13 12.404 -3.289 -8.810 1.00 0.00 C ATOM 145 CE LYS A 13 12.915 -2.029 -8.129 1.00 0.00 C ATOM 146 NZ LYS A 13 12.132 -1.704 -6.904 1.00 0.00 N ATOM 0 H LYS A 13 9.156 -6.613 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 13 10.983 -5.520 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.909 -5.036 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.354 -4.242 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.055 -2.545 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.418 -2.485 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.403 -4.114 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.080 -3.567 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.965 -2.159 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.863 -1.193 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.655 -0.788 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.421 -2.445 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.773 -1.652 -6.086 1.00 0.00 H new ATOM 160 N LEU A 14 8.040 -4.055 -7.525 1.00 0.00 N ATOM 161 CA LEU A 14 7.247 -3.213 -6.635 1.00 0.00 C ATOM 162 C LEU A 14 7.172 -3.818 -5.237 1.00 0.00 C ATOM 163 O LEU A 14 7.495 -3.161 -4.246 1.00 0.00 O ATOM 164 CB LEU A 14 5.838 -3.026 -7.199 1.00 0.00 C ATOM 165 CG LEU A 14 4.808 -2.422 -6.244 1.00 0.00 C ATOM 166 CD1 LEU A 14 4.970 -0.911 -6.169 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.397 -2.787 -6.681 1.00 0.00 C ATOM 0 H LEU A 14 7.526 -4.426 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 14 7.735 -2.241 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.903 -2.389 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.470 -3.996 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 14 4.978 -2.835 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.228 -0.499 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.970 -0.670 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.828 -0.480 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.677 -2.349 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.216 -2.403 -7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.285 -3.871 -6.682 1.00 0.00 H new ATOM 179 N LEU A 15 6.746 -5.074 -5.164 1.00 0.00 N ATOM 180 CA LEU A 15 6.630 -5.770 -3.887 1.00 0.00 C ATOM 181 C LEU A 15 7.803 -5.429 -2.973 1.00 0.00 C ATOM 182 O LEU A 15 7.620 -4.872 -1.892 1.00 0.00 O ATOM 183 CB LEU A 15 6.566 -7.281 -4.111 1.00 0.00 C ATOM 184 CG LEU A 15 6.716 -8.152 -2.863 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.624 -7.832 -1.854 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.686 -9.628 -3.236 1.00 0.00 C ATOM 0 H LEU A 15 6.475 -5.632 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 15 5.709 -5.442 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.612 -7.518 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.348 -7.557 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 15 7.680 -7.934 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.747 -8.462 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.693 -6.784 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.648 -8.021 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.794 -10.233 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.737 -9.862 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.505 -9.847 -3.921 1.00 0.00 H new ATOM 198 N GLY A 16 9.010 -5.767 -3.417 1.00 0.00 N ATOM 199 CA GLY A 16 10.196 -5.487 -2.629 1.00 0.00 C ATOM 200 C GLY A 16 10.124 -4.144 -1.930 1.00 0.00 C ATOM 201 O GLY A 16 10.180 -4.071 -0.703 1.00 0.00 O ATOM 0 H GLY A 16 9.187 -6.230 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.329 -6.273 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.072 -5.509 -3.277 1.00 0.00 H new ATOM 205 N TRP A 17 10.003 -3.078 -2.713 1.00 0.00 N ATOM 206 CA TRP A 17 9.925 -1.730 -2.162 1.00 0.00 C ATOM 207 C TRP A 17 9.025 -1.695 -0.932 1.00 0.00 C ATOM 208 O TRP A 17 9.425 -1.211 0.127 1.00 0.00 O ATOM 209 CB TRP A 17 9.404 -0.754 -3.218 1.00 0.00 C ATOM 210 CG TRP A 17 9.543 0.684 -2.819 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.686 1.431 -2.829 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.502 1.547 -2.348 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.419 2.706 -2.393 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.086 2.803 -2.093 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.133 1.381 -2.119 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.347 3.884 -1.619 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.402 2.455 -1.649 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.010 3.694 -1.404 1.00 0.00 C ATOM 0 H TRP A 17 9.957 -3.121 -3.731 1.00 0.00 H new ATOM 0 HA TRP A 17 10.929 -1.429 -1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.943 -0.918 -4.151 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.354 -0.969 -3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.658 1.072 -3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.102 3.458 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.655 0.431 -2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.814 4.839 -1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.344 2.338 -1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.411 4.515 -1.038 1.00 0.00 H new ATOM 229 N CYS A 18 7.810 -2.212 -1.079 1.00 0.00 N ATOM 230 CA CYS A 18 6.853 -2.239 0.021 1.00 0.00 C ATOM 231 C CYS A 18 7.365 -3.107 1.166 1.00 0.00 C ATOM 232 O CYS A 18 7.296 -2.717 2.331 1.00 0.00 O ATOM 233 CB CYS A 18 5.500 -2.762 -0.465 1.00 0.00 C ATOM 234 SG CYS A 18 4.800 -1.826 -1.844 1.00 0.00 S ATOM 0 H CYS A 18 7.465 -2.618 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 18 6.730 -1.220 0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.612 -3.804 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.796 -2.745 0.367 1.00 0.00 H new ATOM 0 HG CYS A 18 3.505 -1.798 -1.736 1.00 0.00 H new ATOM 240 N GLN A 19 7.878 -4.285 0.826 1.00 0.00 N ATOM 241 CA GLN A 19 8.399 -5.208 1.826 1.00 0.00 C ATOM 242 C GLN A 19 9.494 -4.548 2.659 1.00 0.00 C ATOM 243 O GLN A 19 9.639 -4.832 3.848 1.00 0.00 O ATOM 244 CB GLN A 19 8.945 -6.469 1.152 1.00 0.00 C ATOM 245 CG GLN A 19 7.886 -7.272 0.415 1.00 0.00 C ATOM 246 CD GLN A 19 8.191 -8.756 0.389 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.343 -9.162 0.226 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.160 -9.576 0.551 1.00 0.00 N ATOM 0 H GLN A 19 7.944 -4.622 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 19 7.580 -5.485 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.728 -6.185 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.409 -7.103 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.918 -7.112 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.803 -6.904 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.222 -9.197 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.305 -10.586 0.544 1.00 0.00 H new ATOM 257 N ARG A 20 10.261 -3.667 2.026 1.00 0.00 N ATOM 258 CA ARG A 20 11.343 -2.967 2.708 1.00 0.00 C ATOM 259 C ARG A 20 10.810 -1.770 3.489 1.00 0.00 C ATOM 260 O ARG A 20 11.116 -1.601 4.669 1.00 0.00 O ATOM 261 CB ARG A 20 12.395 -2.504 1.699 1.00 0.00 C ATOM 262 CG ARG A 20 13.255 -3.632 1.153 1.00 0.00 C ATOM 263 CD ARG A 20 14.361 -4.010 2.126 1.00 0.00 C ATOM 264 NE ARG A 20 15.299 -4.966 1.544 1.00 0.00 N ATOM 265 CZ ARG A 20 16.215 -4.638 0.639 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.315 -3.386 0.216 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.034 -5.564 0.156 1.00 0.00 N ATOM 0 H ARG A 20 10.153 -3.421 1.042 1.00 0.00 H new ATOM 0 HA ARG A 20 11.804 -3.661 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.895 -2.006 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.040 -1.764 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.631 -4.503 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.693 -3.329 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.900 -3.112 2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.921 -4.437 3.027 1.00 0.00 H new ATOM 0 HE ARG A 20 15.248 -5.938 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.688 -2.671 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.019 -3.137 -0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.961 -6.529 0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.737 -5.311 -0.539 1.00 0.00 H new ATOM 281 N GLN A 21 10.011 -0.943 2.822 1.00 0.00 N ATOM 282 CA GLN A 21 9.437 0.239 3.454 1.00 0.00 C ATOM 283 C GLN A 21 8.526 -0.152 4.613 1.00 0.00 C ATOM 284 O GLN A 21 8.732 0.273 5.750 1.00 0.00 O ATOM 285 CB GLN A 21 8.653 1.061 2.429 1.00 0.00 C ATOM 286 CG GLN A 21 9.522 1.654 1.332 1.00 0.00 C ATOM 287 CD GLN A 21 10.931 1.957 1.804 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.128 2.674 2.785 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.920 1.412 1.105 1.00 0.00 N ATOM 0 H GLN A 21 9.747 -1.070 1.845 1.00 0.00 H new ATOM 0 HA GLN A 21 10.255 0.844 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.890 0.428 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.132 1.868 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.565 0.960 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.061 2.571 0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.711 0.824 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.889 1.582 1.375 1.00 0.00 H new ATOM 298 N THR A 22 7.516 -0.965 4.318 1.00 0.00 N ATOM 299 CA THR A 22 6.573 -1.412 5.334 1.00 0.00 C ATOM 300 C THR A 22 7.298 -2.033 6.523 1.00 0.00 C ATOM 301 O THR A 22 6.916 -1.823 7.674 1.00 0.00 O ATOM 302 CB THR A 22 5.575 -2.438 4.763 1.00 0.00 C ATOM 303 OG1 THR A 22 6.268 -3.626 4.365 1.00 0.00 O ATOM 304 CG2 THR A 22 4.826 -1.859 3.573 1.00 0.00 C ATOM 0 H THR A 22 7.331 -1.327 3.383 1.00 0.00 H new ATOM 0 HA THR A 22 6.026 -0.530 5.666 1.00 0.00 H new ATOM 0 HB THR A 22 4.853 -2.683 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.557 -3.539 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.127 -2.601 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.276 -0.971 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.537 -1.589 2.792 1.00 0.00 H new ATOM 312 N ASP A 23 8.346 -2.798 6.236 1.00 0.00 N ATOM 313 CA ASP A 23 9.126 -3.449 7.282 1.00 0.00 C ATOM 314 C ASP A 23 9.391 -2.490 8.439 1.00 0.00 C ATOM 315 O ASP A 23 9.952 -1.412 8.249 1.00 0.00 O ATOM 316 CB ASP A 23 10.451 -3.961 6.715 1.00 0.00 C ATOM 317 CG ASP A 23 11.357 -4.534 7.787 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.544 -3.865 8.825 1.00 0.00 O ATOM 319 OD2 ASP A 23 11.878 -5.651 7.589 1.00 0.00 O ATOM 0 H ASP A 23 8.675 -2.982 5.288 1.00 0.00 H new ATOM 0 HA ASP A 23 8.549 -4.294 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.250 -4.727 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.965 -3.145 6.207 1.00 0.00 H new ATOM 324 N GLY A 24 8.981 -2.891 9.638 1.00 0.00 N ATOM 325 CA GLY A 24 9.182 -2.055 10.808 1.00 0.00 C ATOM 326 C GLY A 24 7.890 -1.782 11.553 1.00 0.00 C ATOM 327 O GLY A 24 7.890 -1.633 12.776 1.00 0.00 O ATOM 0 H GLY A 24 8.514 -3.779 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.890 -2.540 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.629 -1.109 10.503 1.00 0.00 H new ATOM 331 N TYR A 25 6.787 -1.713 10.817 1.00 0.00 N ATOM 332 CA TYR A 25 5.483 -1.452 11.415 1.00 0.00 C ATOM 333 C TYR A 25 5.085 -2.576 12.366 1.00 0.00 C ATOM 334 O TYR A 25 5.854 -3.508 12.601 1.00 0.00 O ATOM 335 CB TYR A 25 4.422 -1.290 10.326 1.00 0.00 C ATOM 336 CG TYR A 25 4.310 0.121 9.794 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.263 0.635 8.924 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.249 0.940 10.161 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.165 1.923 8.437 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.142 2.230 9.677 1.00 0.00 C ATOM 341 CZ TYR A 25 4.103 2.717 8.816 1.00 0.00 C ATOM 342 OH TYR A 25 4.001 4.001 8.331 1.00 0.00 O ATOM 0 H TYR A 25 6.770 -1.834 9.804 1.00 0.00 H new ATOM 0 HA TYR A 25 5.552 -0.526 11.985 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.655 -1.963 9.501 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.455 -1.597 10.724 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.095 0.016 8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.495 0.562 10.836 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.916 2.307 7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.311 2.853 9.971 1.00 0.00 H new ATOM 0 HH TYR A 25 4.032 3.984 7.352 1.00 0.00 H new ATOM 352 N ALA A 26 3.877 -2.481 12.911 1.00 0.00 N ATOM 353 CA ALA A 26 3.374 -3.490 13.835 1.00 0.00 C ATOM 354 C ALA A 26 2.198 -4.250 13.230 1.00 0.00 C ATOM 355 O ALA A 26 1.127 -3.685 13.012 1.00 0.00 O ATOM 356 CB ALA A 26 2.967 -2.845 15.151 1.00 0.00 C ATOM 0 H ALA A 26 3.228 -1.715 12.729 1.00 0.00 H new ATOM 0 HA ALA A 26 4.175 -4.204 14.026 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.593 -3.610 15.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.831 -2.353 15.598 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.184 -2.109 14.969 1.00 0.00 H new ATOM 362 N GLY A 27 2.405 -5.536 12.961 1.00 0.00 N ATOM 363 CA GLY A 27 1.353 -6.351 12.383 1.00 0.00 C ATOM 364 C GLY A 27 1.152 -6.077 10.906 1.00 0.00 C ATOM 365 O GLY A 27 0.050 -6.240 10.382 1.00 0.00 O ATOM 0 H GLY A 27 3.282 -6.027 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.595 -7.404 12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.420 -6.164 12.914 1.00 0.00 H new ATOM 369 N VAL A 28 2.219 -5.658 10.233 1.00 0.00 N ATOM 370 CA VAL A 28 2.154 -5.360 8.807 1.00 0.00 C ATOM 371 C VAL A 28 3.163 -6.193 8.025 1.00 0.00 C ATOM 372 O VAL A 28 4.224 -5.702 7.642 1.00 0.00 O ATOM 373 CB VAL A 28 2.417 -3.867 8.534 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.469 -3.599 7.038 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.352 -3.008 9.200 1.00 0.00 C ATOM 0 H VAL A 28 3.138 -5.517 10.652 1.00 0.00 H new ATOM 0 HA VAL A 28 1.146 -5.611 8.477 1.00 0.00 H new ATOM 0 HB VAL A 28 3.385 -3.603 8.961 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.656 -2.539 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.271 -4.187 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.518 -3.879 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.553 -1.956 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.371 -3.273 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.367 -3.179 10.276 1.00 0.00 H new ATOM 385 N ASN A 29 2.824 -7.457 7.792 1.00 0.00 N ATOM 386 CA ASN A 29 3.701 -8.360 7.055 1.00 0.00 C ATOM 387 C ASN A 29 3.187 -8.579 5.635 1.00 0.00 C ATOM 388 O ASN A 29 2.213 -9.300 5.420 1.00 0.00 O ATOM 389 CB ASN A 29 3.813 -9.702 7.782 1.00 0.00 C ATOM 390 CG ASN A 29 2.550 -10.532 7.659 1.00 0.00 C ATOM 391 OD1 ASN A 29 1.512 -10.191 8.227 1.00 0.00 O ATOM 392 ND2 ASN A 29 2.633 -11.629 6.915 1.00 0.00 N ATOM 0 H ASN A 29 1.949 -7.879 8.103 1.00 0.00 H new ATOM 0 HA ASN A 29 4.688 -7.902 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.655 -10.263 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.027 -9.525 8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.816 -12.228 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.514 -11.873 6.463 1.00 0.00 H new ATOM 399 N VAL A 30 3.850 -7.951 4.669 1.00 0.00 N ATOM 400 CA VAL A 30 3.462 -8.078 3.269 1.00 0.00 C ATOM 401 C VAL A 30 4.133 -9.284 2.620 1.00 0.00 C ATOM 402 O VAL A 30 5.328 -9.261 2.326 1.00 0.00 O ATOM 403 CB VAL A 30 3.823 -6.812 2.469 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.544 -7.019 0.988 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.057 -5.610 3.002 1.00 0.00 C ATOM 0 H VAL A 30 4.658 -7.350 4.830 1.00 0.00 H new ATOM 0 HA VAL A 30 2.381 -8.214 3.252 1.00 0.00 H new ATOM 0 HB VAL A 30 4.889 -6.618 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.805 -6.114 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.141 -7.853 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.486 -7.238 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.324 -4.724 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.986 -5.792 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.312 -5.452 4.050 1.00 0.00 H new ATOM 415 N THR A 31 3.354 -10.339 2.399 1.00 0.00 N ATOM 416 CA THR A 31 3.872 -11.555 1.785 1.00 0.00 C ATOM 417 C THR A 31 3.441 -11.662 0.327 1.00 0.00 C ATOM 418 O THR A 31 4.062 -12.372 -0.464 1.00 0.00 O ATOM 419 CB THR A 31 3.400 -12.811 2.542 1.00 0.00 C ATOM 420 OG1 THR A 31 3.942 -13.986 1.928 1.00 0.00 O ATOM 421 CG2 THR A 31 1.881 -12.895 2.556 1.00 0.00 C ATOM 0 H THR A 31 2.363 -10.375 2.636 1.00 0.00 H new ATOM 0 HA THR A 31 4.959 -11.496 1.836 1.00 0.00 H new ATOM 0 HB THR A 31 3.754 -12.743 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.638 -14.780 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.571 -13.790 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.472 -12.013 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.510 -12.942 1.532 1.00 0.00 H new ATOM 429 N ASP A 32 2.373 -10.953 -0.023 1.00 0.00 N ATOM 430 CA ASP A 32 1.859 -10.967 -1.387 1.00 0.00 C ATOM 431 C ASP A 32 1.174 -9.647 -1.723 1.00 0.00 C ATOM 432 O ASP A 32 0.604 -8.991 -0.850 1.00 0.00 O ATOM 433 CB ASP A 32 0.880 -12.127 -1.574 1.00 0.00 C ATOM 434 CG ASP A 32 1.517 -13.474 -1.297 1.00 0.00 C ATOM 435 OD1 ASP A 32 2.286 -13.955 -2.156 1.00 0.00 O ATOM 436 OD2 ASP A 32 1.249 -14.046 -0.220 1.00 0.00 O ATOM 0 H ASP A 32 1.847 -10.361 0.620 1.00 0.00 H new ATOM 0 HA ASP A 32 2.702 -11.101 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.027 -11.989 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.496 -12.113 -2.594 1.00 0.00 H new ATOM 441 N LEU A 33 1.233 -9.261 -2.993 1.00 0.00 N ATOM 442 CA LEU A 33 0.619 -8.018 -3.445 1.00 0.00 C ATOM 443 C LEU A 33 -0.873 -8.209 -3.701 1.00 0.00 C ATOM 444 O LEU A 33 -1.410 -7.727 -4.699 1.00 0.00 O ATOM 445 CB LEU A 33 1.306 -7.520 -4.718 1.00 0.00 C ATOM 446 CG LEU A 33 2.807 -7.249 -4.608 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.489 -7.475 -5.949 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.059 -5.833 -4.111 1.00 0.00 C ATOM 0 H LEU A 33 1.700 -9.792 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 33 0.742 -7.274 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.147 -8.257 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.814 -6.601 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 33 3.231 -7.946 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.557 -7.278 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.338 -8.507 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.062 -6.802 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.132 -5.658 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.621 -5.119 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.604 -5.706 -3.129 1.00 0.00 H new ATOM 460 N THR A 34 -1.539 -8.914 -2.791 1.00 0.00 N ATOM 461 CA THR A 34 -2.968 -9.167 -2.917 1.00 0.00 C ATOM 462 C THR A 34 -3.696 -8.872 -1.610 1.00 0.00 C ATOM 463 O THR A 34 -4.390 -7.862 -1.490 1.00 0.00 O ATOM 464 CB THR A 34 -3.246 -10.626 -3.327 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.558 -11.522 -2.447 1.00 0.00 O ATOM 466 CG2 THR A 34 -2.805 -10.878 -4.761 1.00 0.00 C ATOM 0 H THR A 34 -1.111 -9.320 -1.959 1.00 0.00 H new ATOM 0 HA THR A 34 -3.339 -8.501 -3.696 1.00 0.00 H new ATOM 0 HB THR A 34 -4.319 -10.802 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.741 -12.447 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.011 -11.914 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.351 -10.215 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.736 -10.686 -4.852 1.00 0.00 H new ATOM 474 N MET A 35 -3.533 -9.758 -0.633 1.00 0.00 N ATOM 475 CA MET A 35 -4.174 -9.590 0.666 1.00 0.00 C ATOM 476 C MET A 35 -3.381 -8.626 1.542 1.00 0.00 C ATOM 477 O MET A 35 -3.956 -7.816 2.269 1.00 0.00 O ATOM 478 CB MET A 35 -4.312 -10.941 1.369 1.00 0.00 C ATOM 479 CG MET A 35 -2.997 -11.690 1.511 1.00 0.00 C ATOM 480 SD MET A 35 -3.141 -13.157 2.549 1.00 0.00 S ATOM 481 CE MET A 35 -3.461 -12.411 4.146 1.00 0.00 C ATOM 0 H MET A 35 -2.963 -10.599 -0.716 1.00 0.00 H new ATOM 0 HA MET A 35 -5.167 -9.171 0.502 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.740 -10.784 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.015 -11.561 0.813 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.642 -11.982 0.523 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.247 -11.022 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.176 -13.106 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.880 -11.494 4.242 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.522 -12.179 4.233 1.00 0.00 H new ATOM 491 N SER A 36 -2.057 -8.719 1.469 1.00 0.00 N ATOM 492 CA SER A 36 -1.185 -7.857 2.259 1.00 0.00 C ATOM 493 C SER A 36 -1.747 -6.441 2.338 1.00 0.00 C ATOM 494 O SER A 36 -1.483 -5.709 3.292 1.00 0.00 O ATOM 495 CB SER A 36 0.221 -7.827 1.656 1.00 0.00 C ATOM 496 OG SER A 36 0.775 -9.130 1.590 1.00 0.00 O ATOM 0 H SER A 36 -1.565 -9.383 0.871 1.00 0.00 H new ATOM 0 HA SER A 36 -1.131 -8.265 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.182 -7.394 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.864 -7.185 2.257 1.00 0.00 H new ATOM 0 HG SER A 36 0.395 -9.609 0.824 1.00 0.00 H new ATOM 502 N TRP A 37 -2.524 -6.063 1.330 1.00 0.00 N ATOM 503 CA TRP A 37 -3.124 -4.734 1.284 1.00 0.00 C ATOM 504 C TRP A 37 -4.598 -4.790 1.669 1.00 0.00 C ATOM 505 O TRP A 37 -5.133 -3.849 2.256 1.00 0.00 O ATOM 506 CB TRP A 37 -2.971 -4.131 -0.113 1.00 0.00 C ATOM 507 CG TRP A 37 -1.566 -4.185 -0.633 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.019 -5.163 -1.413 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.531 -3.223 -0.408 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.294 -4.866 -1.687 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.618 -3.680 -1.082 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.463 -2.017 0.296 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.818 -2.975 -1.071 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.729 -1.319 0.307 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.856 -1.798 -0.373 1.00 0.00 C ATOM 0 H TRP A 37 -2.754 -6.657 0.533 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.603 -4.102 2.003 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.627 -4.661 -0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.303 -3.093 -0.091 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.542 -6.041 -1.763 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.925 -5.436 -2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.327 -1.638 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.688 -3.343 -1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.793 -0.387 0.850 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.773 -1.228 -0.346 1.00 0.00 H new ATOM 526 N LYS A 38 -5.252 -5.897 1.334 1.00 0.00 N ATOM 527 CA LYS A 38 -6.665 -6.077 1.646 1.00 0.00 C ATOM 528 C LYS A 38 -6.989 -5.535 3.035 1.00 0.00 C ATOM 529 O LYS A 38 -7.954 -4.793 3.212 1.00 0.00 O ATOM 530 CB LYS A 38 -7.042 -7.557 1.563 1.00 0.00 C ATOM 531 CG LYS A 38 -7.463 -8.001 0.173 1.00 0.00 C ATOM 532 CD LYS A 38 -8.185 -9.338 0.209 1.00 0.00 C ATOM 533 CE LYS A 38 -9.607 -9.189 0.728 1.00 0.00 C ATOM 534 NZ LYS A 38 -10.088 -10.433 1.392 1.00 0.00 N ATOM 0 H LYS A 38 -4.825 -6.684 0.846 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.247 -5.519 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.192 -8.158 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.856 -7.756 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.114 -7.247 -0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.584 -8.078 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.205 -9.769 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.635 -10.033 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.651 -8.360 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.271 -8.939 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.034 -10.270 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.135 -11.203 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.431 -10.696 2.154 1.00 0.00 H new ATOM 548 N SER A 39 -6.174 -5.910 4.016 1.00 0.00 N ATOM 549 CA SER A 39 -6.376 -5.464 5.389 1.00 0.00 C ATOM 550 C SER A 39 -6.531 -3.947 5.450 1.00 0.00 C ATOM 551 O SER A 39 -7.524 -3.434 5.965 1.00 0.00 O ATOM 552 CB SER A 39 -5.203 -5.903 6.268 1.00 0.00 C ATOM 553 OG SER A 39 -5.259 -5.281 7.540 1.00 0.00 O ATOM 0 H SER A 39 -5.368 -6.521 3.885 1.00 0.00 H new ATOM 0 HA SER A 39 -7.292 -5.921 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.220 -6.986 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.263 -5.651 5.778 1.00 0.00 H new ATOM 0 HG SER A 39 -4.500 -5.579 8.083 1.00 0.00 H new ATOM 559 N GLY A 40 -5.542 -3.235 4.920 1.00 0.00 N ATOM 560 CA GLY A 40 -5.586 -1.784 4.924 1.00 0.00 C ATOM 561 C GLY A 40 -4.376 -1.169 5.598 1.00 0.00 C ATOM 562 O GLY A 40 -3.817 -0.186 5.109 1.00 0.00 O ATOM 0 H GLY A 40 -4.710 -3.637 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.649 -1.423 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.490 -1.452 5.435 1.00 0.00 H new ATOM 566 N LEU A 41 -3.971 -1.746 6.724 1.00 0.00 N ATOM 567 CA LEU A 41 -2.820 -1.246 7.468 1.00 0.00 C ATOM 568 C LEU A 41 -1.651 -0.956 6.532 1.00 0.00 C ATOM 569 O LEU A 41 -1.169 0.174 6.456 1.00 0.00 O ATOM 570 CB LEU A 41 -2.397 -2.261 8.532 1.00 0.00 C ATOM 571 CG LEU A 41 -3.413 -2.533 9.641 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.002 -3.751 10.454 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.561 -1.315 10.540 1.00 0.00 C ATOM 0 H LEU A 41 -4.422 -2.560 7.142 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.109 -0.316 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.170 -3.204 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.472 -1.912 8.991 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.379 -2.738 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.737 -3.929 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.949 -4.623 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.025 -3.575 10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.288 -1.527 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.598 -1.078 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.903 -0.466 9.948 1.00 0.00 H new ATOM 585 N ALA A 42 -1.201 -1.984 5.819 1.00 0.00 N ATOM 586 CA ALA A 42 -0.092 -1.838 4.885 1.00 0.00 C ATOM 587 C ALA A 42 -0.179 -0.515 4.131 1.00 0.00 C ATOM 588 O ALA A 42 0.623 0.393 4.355 1.00 0.00 O ATOM 589 CB ALA A 42 -0.068 -3.004 3.908 1.00 0.00 C ATOM 0 H ALA A 42 -1.588 -2.926 5.871 1.00 0.00 H new ATOM 0 HA ALA A 42 0.835 -1.839 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.765 -2.882 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.051 -3.937 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.003 -3.029 3.349 1.00 0.00 H new ATOM 595 N LEU A 43 -1.156 -0.413 3.237 1.00 0.00 N ATOM 596 CA LEU A 43 -1.348 0.799 2.448 1.00 0.00 C ATOM 597 C LEU A 43 -1.231 2.042 3.324 1.00 0.00 C ATOM 598 O LEU A 43 -0.627 3.040 2.927 1.00 0.00 O ATOM 599 CB LEU A 43 -2.713 0.773 1.760 1.00 0.00 C ATOM 600 CG LEU A 43 -3.007 1.932 0.807 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.906 2.059 -0.234 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.359 1.741 0.136 1.00 0.00 C ATOM 0 H LEU A 43 -1.828 -1.155 3.040 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.567 0.836 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.799 -0.160 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.485 0.757 2.529 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.039 2.855 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.132 2.889 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.954 2.243 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.841 1.136 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.551 2.575 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.356 0.810 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.140 1.701 0.896 1.00 0.00 H new ATOM 614 N CYS A 44 -1.810 1.975 4.518 1.00 0.00 N ATOM 615 CA CYS A 44 -1.771 3.095 5.451 1.00 0.00 C ATOM 616 C CYS A 44 -0.346 3.350 5.934 1.00 0.00 C ATOM 617 O CYS A 44 0.034 4.489 6.202 1.00 0.00 O ATOM 618 CB CYS A 44 -2.686 2.823 6.646 1.00 0.00 C ATOM 619 SG CYS A 44 -4.418 2.551 6.201 1.00 0.00 S ATOM 0 H CYS A 44 -2.312 1.157 4.863 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.123 3.984 4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.317 1.948 7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.627 3.666 7.335 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.544 1.386 5.638 1.00 0.00 H new ATOM 625 N ALA A 45 0.435 2.281 6.045 1.00 0.00 N ATOM 626 CA ALA A 45 1.817 2.388 6.495 1.00 0.00 C ATOM 627 C ALA A 45 2.694 3.036 5.428 1.00 0.00 C ATOM 628 O ALA A 45 3.800 3.495 5.715 1.00 0.00 O ATOM 629 CB ALA A 45 2.360 1.016 6.866 1.00 0.00 C ATOM 0 H ALA A 45 0.134 1.331 5.829 1.00 0.00 H new ATOM 0 HA ALA A 45 1.836 3.025 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.393 1.112 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.757 0.591 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.319 0.361 5.996 1.00 0.00 H new ATOM 635 N ILE A 46 2.194 3.068 4.198 1.00 0.00 N ATOM 636 CA ILE A 46 2.932 3.659 3.089 1.00 0.00 C ATOM 637 C ILE A 46 2.830 5.181 3.110 1.00 0.00 C ATOM 638 O ILE A 46 3.826 5.882 2.929 1.00 0.00 O ATOM 639 CB ILE A 46 2.420 3.141 1.732 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.552 1.618 1.661 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.184 3.798 0.592 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.981 1.141 1.528 1.00 0.00 C ATOM 0 H ILE A 46 1.281 2.692 3.944 1.00 0.00 H new ATOM 0 HA ILE A 46 3.974 3.365 3.211 1.00 0.00 H new ATOM 0 HB ILE A 46 1.366 3.401 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.114 1.181 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.974 1.250 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.811 3.422 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.044 4.878 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.245 3.565 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.998 0.052 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.417 1.549 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.559 1.478 2.389 1.00 0.00 H new ATOM 654 N ILE A 47 1.621 5.684 3.335 1.00 0.00 N ATOM 655 CA ILE A 47 1.390 7.123 3.383 1.00 0.00 C ATOM 656 C ILE A 47 1.990 7.734 4.644 1.00 0.00 C ATOM 657 O ILE A 47 2.540 8.835 4.612 1.00 0.00 O ATOM 658 CB ILE A 47 -0.114 7.453 3.331 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.715 6.988 2.003 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.334 8.946 3.524 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.225 7.060 1.965 1.00 0.00 C ATOM 0 H ILE A 47 0.787 5.117 3.487 1.00 0.00 H new ATOM 0 HA ILE A 47 1.878 7.551 2.507 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.616 6.923 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.310 7.599 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.403 5.961 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.401 9.165 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.063 9.250 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.178 9.494 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.581 6.715 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.639 6.427 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.544 8.090 2.124 1.00 0.00 H new ATOM 673 N HIS A 48 1.882 7.011 5.755 1.00 0.00 N ATOM 674 CA HIS A 48 2.417 7.481 7.028 1.00 0.00 C ATOM 675 C HIS A 48 3.941 7.410 7.037 1.00 0.00 C ATOM 676 O HIS A 48 4.615 8.383 7.373 1.00 0.00 O ATOM 677 CB HIS A 48 1.849 6.653 8.180 1.00 0.00 C ATOM 678 CG HIS A 48 2.455 6.982 9.510 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.790 6.792 9.796 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.900 7.492 10.634 1.00 0.00 C ATOM 681 CE1 HIS A 48 4.030 7.170 11.039 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.899 7.599 11.569 1.00 0.00 N ATOM 0 H HIS A 48 1.429 6.098 5.799 1.00 0.00 H new ATOM 0 HA HIS A 48 2.119 8.522 7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.772 6.809 8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.008 5.595 7.969 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.864 7.764 10.770 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.988 7.134 11.537 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.786 7.953 12.519 1.00 0.00 H new ATOM 691 N ARG A 49 4.476 6.251 6.666 1.00 0.00 N ATOM 692 CA ARG A 49 5.920 6.052 6.634 1.00 0.00 C ATOM 693 C ARG A 49 6.636 7.333 6.215 1.00 0.00 C ATOM 694 O ARG A 49 7.664 7.697 6.787 1.00 0.00 O ATOM 695 CB ARG A 49 6.278 4.917 5.673 1.00 0.00 C ATOM 696 CG ARG A 49 7.770 4.790 5.410 1.00 0.00 C ATOM 697 CD ARG A 49 8.442 3.892 6.437 1.00 0.00 C ATOM 698 NE ARG A 49 9.822 3.582 6.073 1.00 0.00 N ATOM 699 CZ ARG A 49 10.748 3.211 6.951 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.442 3.103 8.236 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.982 2.946 6.543 1.00 0.00 N ATOM 0 H ARG A 49 3.931 5.436 6.384 1.00 0.00 H new ATOM 0 HA ARG A 49 6.248 5.785 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.908 3.976 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.763 5.078 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.931 4.386 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.230 5.778 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.425 4.380 7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.876 2.966 6.534 1.00 0.00 H new ATOM 0 HE ARG A 49 10.090 3.654 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.494 3.305 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.155 2.818 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.221 3.027 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.692 2.661 7.218 1.00 0.00 H new ATOM 715 N TYR A 50 6.086 8.011 5.214 1.00 0.00 N ATOM 716 CA TYR A 50 6.673 9.250 4.716 1.00 0.00 C ATOM 717 C TYR A 50 5.953 10.465 5.293 1.00 0.00 C ATOM 718 O TYR A 50 6.581 11.369 5.843 1.00 0.00 O ATOM 719 CB TYR A 50 6.617 9.287 3.188 1.00 0.00 C ATOM 720 CG TYR A 50 7.383 8.165 2.526 1.00 0.00 C ATOM 721 CD1 TYR A 50 6.871 6.873 2.492 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.619 8.395 1.936 1.00 0.00 C ATOM 723 CE1 TYR A 50 7.568 5.844 1.889 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.323 7.372 1.329 1.00 0.00 C ATOM 725 CZ TYR A 50 8.793 6.099 1.309 1.00 0.00 C ATOM 726 OH TYR A 50 9.491 5.077 0.706 1.00 0.00 O ATOM 0 H TYR A 50 5.235 7.724 4.731 1.00 0.00 H new ATOM 0 HA TYR A 50 7.715 9.283 5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.575 9.241 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.015 10.241 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.912 6.670 2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.037 9.391 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.156 4.846 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.282 7.568 0.873 1.00 0.00 H new ATOM 0 HH TYR A 50 8.867 4.493 0.227 1.00 0.00 H new ATOM 736 N ARG A 51 4.630 10.477 5.164 1.00 0.00 N ATOM 737 CA ARG A 51 3.823 11.580 5.671 1.00 0.00 C ATOM 738 C ARG A 51 2.782 11.078 6.668 1.00 0.00 C ATOM 739 O ARG A 51 1.704 10.612 6.296 1.00 0.00 O ATOM 740 CB ARG A 51 3.130 12.306 4.516 1.00 0.00 C ATOM 741 CG ARG A 51 4.095 12.872 3.487 1.00 0.00 C ATOM 742 CD ARG A 51 4.842 14.080 4.029 1.00 0.00 C ATOM 743 NE ARG A 51 5.230 15.005 2.968 1.00 0.00 N ATOM 744 CZ ARG A 51 5.958 16.097 3.174 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.374 16.399 4.396 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.270 16.890 2.157 1.00 0.00 N ATOM 0 H ARG A 51 4.095 9.735 4.713 1.00 0.00 H new ATOM 0 HA ARG A 51 4.486 12.277 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.448 11.615 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.524 13.118 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.809 12.102 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.546 13.155 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.214 14.600 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.732 13.746 4.562 1.00 0.00 H new ATOM 0 HE ARG A 51 4.925 14.802 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.135 15.792 5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.933 17.238 4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.951 16.662 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.829 17.728 2.317 1.00 0.00 H new ATOM 760 N PRO A 52 3.110 11.174 7.965 1.00 0.00 N ATOM 761 CA PRO A 52 2.217 10.735 9.041 1.00 0.00 C ATOM 762 C PRO A 52 0.994 11.634 9.183 1.00 0.00 C ATOM 763 O PRO A 52 -0.012 11.242 9.774 1.00 0.00 O ATOM 764 CB PRO A 52 3.097 10.827 10.291 1.00 0.00 C ATOM 765 CG PRO A 52 4.124 11.852 9.956 1.00 0.00 C ATOM 766 CD PRO A 52 4.377 11.718 8.480 1.00 0.00 C ATOM 0 HA PRO A 52 1.816 9.738 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.515 11.121 11.164 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.557 9.866 10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.771 12.853 10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.039 11.688 10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.616 12.679 8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.214 11.051 8.275 1.00 0.00 H new ATOM 774 N ASP A 53 1.088 12.842 8.638 1.00 0.00 N ATOM 775 CA ASP A 53 -0.012 13.798 8.703 1.00 0.00 C ATOM 776 C ASP A 53 -1.195 13.321 7.866 1.00 0.00 C ATOM 777 O ASP A 53 -2.313 13.193 8.367 1.00 0.00 O ATOM 778 CB ASP A 53 0.450 15.173 8.220 1.00 0.00 C ATOM 779 CG ASP A 53 -0.664 16.201 8.248 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.041 16.636 9.356 1.00 0.00 O ATOM 781 OD2 ASP A 53 -1.160 16.570 7.163 1.00 0.00 O ATOM 0 H ASP A 53 1.914 13.183 8.146 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.333 13.876 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.274 15.517 8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.836 15.087 7.204 1.00 0.00 H new ATOM 786 N LEU A 54 -0.943 13.062 6.587 1.00 0.00 N ATOM 787 CA LEU A 54 -1.987 12.601 5.679 1.00 0.00 C ATOM 788 C LEU A 54 -2.865 11.548 6.349 1.00 0.00 C ATOM 789 O LEU A 54 -4.072 11.739 6.503 1.00 0.00 O ATOM 790 CB LEU A 54 -1.366 12.028 4.405 1.00 0.00 C ATOM 791 CG LEU A 54 -0.257 12.864 3.764 1.00 0.00 C ATOM 792 CD1 LEU A 54 -0.014 12.418 2.330 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.610 14.343 3.811 1.00 0.00 C ATOM 0 H LEU A 54 -0.024 13.164 6.156 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.611 13.456 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.964 11.041 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.158 11.887 3.670 1.00 0.00 H new ATOM 0 HG LEU A 54 0.661 12.711 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.778 13.024 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.283 11.369 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.929 12.541 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.190 14.923 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.540 14.513 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.734 14.655 4.848 1.00 0.00 H new ATOM 805 N ILE A 55 -2.251 10.439 6.746 1.00 0.00 N ATOM 806 CA ILE A 55 -2.976 9.358 7.401 1.00 0.00 C ATOM 807 C ILE A 55 -2.433 9.103 8.803 1.00 0.00 C ATOM 808 O ILE A 55 -1.241 9.273 9.059 1.00 0.00 O ATOM 809 CB ILE A 55 -2.898 8.053 6.588 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.078 7.141 6.931 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.579 7.343 6.850 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.444 6.182 5.820 1.00 0.00 C ATOM 0 H ILE A 55 -1.253 10.266 6.625 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.018 9.672 7.468 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.950 8.300 5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.837 6.570 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.945 7.757 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.539 6.422 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.753 7.992 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.498 7.105 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.288 5.567 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.717 6.746 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.591 5.541 5.597 1.00 0.00 H new ATOM 824 N ASP A 56 -3.315 8.692 9.708 1.00 0.00 N ATOM 825 CA ASP A 56 -2.924 8.410 11.084 1.00 0.00 C ATOM 826 C ASP A 56 -3.019 6.916 11.381 1.00 0.00 C ATOM 827 O ASP A 56 -4.100 6.395 11.656 1.00 0.00 O ATOM 828 CB ASP A 56 -3.805 9.193 12.058 1.00 0.00 C ATOM 829 CG ASP A 56 -3.093 9.506 13.359 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.874 9.250 13.445 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.756 10.007 14.293 1.00 0.00 O ATOM 0 H ASP A 56 -4.306 8.547 9.513 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.888 8.723 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.123 10.124 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.707 8.619 12.270 1.00 0.00 H new ATOM 836 N PHE A 57 -1.881 6.233 11.322 1.00 0.00 N ATOM 837 CA PHE A 57 -1.837 4.799 11.582 1.00 0.00 C ATOM 838 C PHE A 57 -2.240 4.495 13.022 1.00 0.00 C ATOM 839 O PHE A 57 -3.158 3.713 13.269 1.00 0.00 O ATOM 840 CB PHE A 57 -0.434 4.252 11.307 1.00 0.00 C ATOM 841 CG PHE A 57 -0.395 2.761 11.134 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.449 1.920 12.234 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.305 2.200 9.870 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.413 0.548 12.077 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.268 0.828 9.707 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.323 0.001 10.811 1.00 0.00 C ATOM 0 H PHE A 57 -0.977 6.649 11.097 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.547 4.312 10.914 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.038 4.724 10.408 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.224 4.532 12.130 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.520 2.342 13.226 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.263 2.842 9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.455 -0.096 12.943 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.196 0.403 8.717 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.296 -1.071 10.686 1.00 0.00 H new ATOM 856 N ASP A 58 -1.546 5.118 13.969 1.00 0.00 N ATOM 857 CA ASP A 58 -1.831 4.915 15.384 1.00 0.00 C ATOM 858 C ASP A 58 -3.335 4.912 15.641 1.00 0.00 C ATOM 859 O ASP A 58 -3.839 4.112 16.429 1.00 0.00 O ATOM 860 CB ASP A 58 -1.161 6.004 16.223 1.00 0.00 C ATOM 861 CG ASP A 58 0.338 6.066 16.001 1.00 0.00 C ATOM 862 OD1 ASP A 58 1.071 5.326 16.690 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.777 6.853 15.137 1.00 0.00 O ATOM 0 H ASP A 58 -0.782 5.768 13.782 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.429 3.944 15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.602 6.970 15.978 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.362 5.821 17.279 1.00 0.00 H new ATOM 868 N SER A 59 -4.047 5.812 14.970 1.00 0.00 N ATOM 869 CA SER A 59 -5.492 5.916 15.129 1.00 0.00 C ATOM 870 C SER A 59 -6.193 4.697 14.538 1.00 0.00 C ATOM 871 O SER A 59 -7.150 4.176 15.114 1.00 0.00 O ATOM 872 CB SER A 59 -6.010 7.191 14.459 1.00 0.00 C ATOM 873 OG SER A 59 -6.354 6.951 13.105 1.00 0.00 O ATOM 0 H SER A 59 -3.646 6.479 14.311 1.00 0.00 H new ATOM 0 HA SER A 59 -5.713 5.959 16.196 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.881 7.561 14.999 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.248 7.969 14.512 1.00 0.00 H new ATOM 0 HG SER A 59 -5.555 6.676 12.608 1.00 0.00 H new ATOM 879 N LEU A 60 -5.711 4.246 13.386 1.00 0.00 N ATOM 880 CA LEU A 60 -6.290 3.087 12.715 1.00 0.00 C ATOM 881 C LEU A 60 -6.029 1.812 13.509 1.00 0.00 C ATOM 882 O LEU A 60 -4.989 1.671 14.153 1.00 0.00 O ATOM 883 CB LEU A 60 -5.715 2.950 11.304 1.00 0.00 C ATOM 884 CG LEU A 60 -5.970 4.123 10.358 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.120 3.993 9.104 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.446 4.207 9.998 1.00 0.00 C ATOM 0 H LEU A 60 -4.920 4.665 12.896 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.368 3.237 12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.638 2.802 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.127 2.048 10.851 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.688 5.044 10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.315 4.837 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.065 3.984 9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.369 3.065 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.609 5.048 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.754 3.284 9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.034 4.350 10.905 1.00 0.00 H new ATOM 898 N ASP A 61 -6.979 0.884 13.458 1.00 0.00 N ATOM 899 CA ASP A 61 -6.850 -0.382 14.170 1.00 0.00 C ATOM 900 C ASP A 61 -6.906 -1.559 13.201 1.00 0.00 C ATOM 901 O ASP A 61 -7.694 -1.558 12.255 1.00 0.00 O ATOM 902 CB ASP A 61 -7.956 -0.516 15.219 1.00 0.00 C ATOM 903 CG ASP A 61 -7.857 -1.810 16.002 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.739 -2.157 16.438 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.898 -2.477 16.179 1.00 0.00 O ATOM 0 H ASP A 61 -7.846 0.985 12.931 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.882 -0.392 14.670 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.903 0.327 15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.927 -0.466 14.727 1.00 0.00 H new ATOM 910 N GLU A 62 -6.065 -2.559 13.443 1.00 0.00 N ATOM 911 CA GLU A 62 -6.018 -3.741 12.590 1.00 0.00 C ATOM 912 C GLU A 62 -7.421 -4.286 12.338 1.00 0.00 C ATOM 913 O GLU A 62 -7.775 -4.617 11.206 1.00 0.00 O ATOM 914 CB GLU A 62 -5.146 -4.824 13.228 1.00 0.00 C ATOM 915 CG GLU A 62 -5.666 -5.313 14.569 1.00 0.00 C ATOM 916 CD GLU A 62 -4.723 -6.293 15.238 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.050 -7.057 14.514 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.657 -6.298 16.485 1.00 0.00 O ATOM 0 H GLU A 62 -5.407 -2.575 14.222 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.582 -3.450 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.075 -5.670 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.136 -4.435 13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.823 -4.458 15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.637 -5.788 14.427 1.00 0.00 H new ATOM 925 N GLN A 63 -8.214 -4.375 13.400 1.00 0.00 N ATOM 926 CA GLN A 63 -9.578 -4.881 13.294 1.00 0.00 C ATOM 927 C GLN A 63 -10.314 -4.223 12.133 1.00 0.00 C ATOM 928 O GLN A 63 -10.953 -4.898 11.327 1.00 0.00 O ATOM 929 CB GLN A 63 -10.337 -4.638 14.600 1.00 0.00 C ATOM 930 CG GLN A 63 -9.674 -5.264 15.816 1.00 0.00 C ATOM 931 CD GLN A 63 -9.485 -6.761 15.671 1.00 0.00 C ATOM 932 OE1 GLN A 63 -8.377 -7.238 15.423 1.00 0.00 O ATOM 933 NE2 GLN A 63 -10.569 -7.513 15.825 1.00 0.00 N ATOM 0 H GLN A 63 -7.936 -4.104 14.343 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.528 -5.953 13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.431 -3.564 14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.347 -5.036 14.503 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.705 -4.793 15.979 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.279 -5.062 16.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.468 -7.076 16.030 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.503 -8.527 15.738 1.00 0.00 H new ATOM 942 N ASN A 64 -10.221 -2.899 12.054 1.00 0.00 N ATOM 943 CA ASN A 64 -10.879 -2.148 10.991 1.00 0.00 C ATOM 944 C ASN A 64 -10.233 -2.439 9.639 1.00 0.00 C ATOM 945 O ASN A 64 -9.096 -2.041 9.385 1.00 0.00 O ATOM 946 CB ASN A 64 -10.820 -0.648 11.285 1.00 0.00 C ATOM 947 CG ASN A 64 -11.093 -0.334 12.744 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.811 -1.067 13.424 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.520 0.760 13.230 1.00 0.00 N ATOM 0 H ASN A 64 -9.696 -2.324 12.714 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.922 -2.462 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.837 -0.265 11.012 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.549 -0.129 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.667 1.023 14.204 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.932 1.338 12.629 1.00 0.00 H new ATOM 956 N VAL A 65 -10.967 -3.133 8.776 1.00 0.00 N ATOM 957 CA VAL A 65 -10.467 -3.475 7.449 1.00 0.00 C ATOM 958 C VAL A 65 -10.997 -2.509 6.396 1.00 0.00 C ATOM 959 O VAL A 65 -10.236 -1.746 5.802 1.00 0.00 O ATOM 960 CB VAL A 65 -10.858 -4.912 7.055 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.326 -5.250 5.671 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.349 -5.905 8.089 1.00 0.00 C ATOM 0 H VAL A 65 -11.910 -3.470 8.971 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.380 -3.401 7.492 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.946 -4.979 7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.612 -6.269 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.745 -4.557 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.239 -5.166 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.634 -6.915 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.263 -5.839 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.785 -5.674 9.061 1.00 0.00 H new ATOM 972 N GLU A 66 -12.306 -2.547 6.171 1.00 0.00 N ATOM 973 CA GLU A 66 -12.937 -1.674 5.188 1.00 0.00 C ATOM 974 C GLU A 66 -12.537 -0.219 5.417 1.00 0.00 C ATOM 975 O GLU A 66 -12.346 0.541 4.467 1.00 0.00 O ATOM 976 CB GLU A 66 -14.460 -1.812 5.254 1.00 0.00 C ATOM 977 CG GLU A 66 -15.200 -0.825 4.367 1.00 0.00 C ATOM 978 CD GLU A 66 -16.567 -0.461 4.912 1.00 0.00 C ATOM 979 OE1 GLU A 66 -16.899 -0.909 6.029 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.304 0.273 4.221 1.00 0.00 O ATOM 0 H GLU A 66 -12.950 -3.172 6.655 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.594 -1.976 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.737 -2.826 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.784 -1.675 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.603 0.081 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.312 -1.252 3.370 1.00 0.00 H new ATOM 987 N LYS A 67 -12.414 0.162 6.684 1.00 0.00 N ATOM 988 CA LYS A 67 -12.036 1.525 7.039 1.00 0.00 C ATOM 989 C LYS A 67 -10.619 1.837 6.568 1.00 0.00 C ATOM 990 O LYS A 67 -10.422 2.636 5.653 1.00 0.00 O ATOM 991 CB LYS A 67 -12.137 1.725 8.553 1.00 0.00 C ATOM 992 CG LYS A 67 -11.728 3.114 9.011 1.00 0.00 C ATOM 993 CD LYS A 67 -12.318 3.449 10.371 1.00 0.00 C ATOM 994 CE LYS A 67 -11.460 4.459 11.117 1.00 0.00 C ATOM 995 NZ LYS A 67 -11.850 5.861 10.800 1.00 0.00 N ATOM 0 H LYS A 67 -12.571 -0.454 7.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.724 2.208 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.163 1.535 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.508 0.987 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.641 3.177 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.057 3.851 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.324 3.848 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.409 2.539 10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.551 4.291 12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.412 4.306 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.242 6.518 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.739 6.030 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.842 6.015 11.070 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.637 1.201 7.198 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.238 1.411 6.842 1.00 0.00 C ATOM 1011 C ASN A 68 -8.083 1.602 5.337 1.00 0.00 C ATOM 1012 O ASN A 68 -7.242 2.375 4.882 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.389 0.228 7.309 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.940 0.370 8.750 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.780 0.680 9.023 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.859 0.144 9.681 1.00 0.00 N ATOM 0 H ASN A 68 -9.784 0.536 7.957 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.893 2.316 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.962 -0.693 7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.514 0.137 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.616 0.225 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.809 -0.111 9.409 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.902 0.890 4.568 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.855 0.981 3.113 1.00 0.00 C ATOM 1025 C ASN A 69 -9.590 2.224 2.622 1.00 0.00 C ATOM 1026 O ASN A 69 -8.991 3.108 2.009 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.471 -0.271 2.484 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.694 -1.529 2.821 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.505 -1.637 2.522 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.366 -2.489 3.447 1.00 0.00 N ATOM 0 H ASN A 69 -9.605 0.245 4.928 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.810 1.056 2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.499 -0.379 2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.509 -0.149 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.897 -3.359 3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.351 -2.356 3.675 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.889 2.284 2.896 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.705 3.420 2.481 1.00 0.00 C ATOM 1039 C GLN A 70 -10.984 4.736 2.754 1.00 0.00 C ATOM 1040 O GLN A 70 -11.084 5.684 1.974 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.050 3.401 3.209 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.046 4.416 2.673 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.490 4.108 1.257 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.416 3.326 1.040 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.829 4.722 0.282 1.00 0.00 N ATOM 0 H GLN A 70 -11.399 1.561 3.403 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.879 3.338 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.482 2.404 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.883 3.593 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.919 4.442 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.597 5.409 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.068 5.363 0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.083 4.553 -0.691 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.259 4.788 3.866 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.522 5.989 4.243 1.00 0.00 C ATOM 1056 C LEU A 71 -8.447 6.314 3.211 1.00 0.00 C ATOM 1057 O LEU A 71 -8.547 7.303 2.485 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.884 5.809 5.621 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.190 7.039 6.206 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.130 8.235 6.200 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.698 6.753 7.618 1.00 0.00 C ATOM 0 H LEU A 71 -10.166 4.013 4.522 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.226 6.820 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.658 5.488 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.155 5.001 5.559 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.328 7.277 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.619 9.101 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.434 8.454 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.012 8.008 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.207 7.640 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.545 6.490 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.990 5.925 7.596 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.419 5.473 3.150 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.327 5.668 2.204 1.00 0.00 C ATOM 1075 C ALA A 72 -6.854 6.102 0.840 1.00 0.00 C ATOM 1076 O ALA A 72 -6.499 7.167 0.336 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.507 4.394 2.075 1.00 0.00 C ATOM 0 H ALA A 72 -7.320 4.650 3.745 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.685 6.462 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.695 4.554 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.092 4.128 3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.145 3.585 1.720 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.702 5.268 0.246 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.276 5.565 -1.061 1.00 0.00 C ATOM 1085 C PHE A 73 -8.694 7.030 -1.152 1.00 0.00 C ATOM 1086 O PHE A 73 -8.637 7.637 -2.222 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.482 4.662 -1.328 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.116 3.221 -1.544 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.064 2.877 -2.378 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.823 2.211 -0.913 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.726 1.553 -2.579 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.489 0.884 -1.110 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.438 0.555 -1.943 1.00 0.00 C ATOM 0 H PHE A 73 -8.006 4.382 0.649 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.513 5.376 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.171 4.731 -0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.013 5.029 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.502 3.653 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.645 2.463 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.905 1.298 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.049 0.106 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.173 -0.481 -2.097 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.113 7.590 -0.023 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.540 8.984 0.026 1.00 0.00 C ATOM 1105 C ASP A 74 -8.358 9.904 0.313 1.00 0.00 C ATOM 1106 O ASP A 74 -8.042 10.791 -0.480 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.620 9.172 1.092 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.505 10.371 0.815 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.624 10.761 -0.366 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.079 10.920 1.779 1.00 0.00 O ATOM 0 H ASP A 74 -9.166 7.101 0.870 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.953 9.246 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.236 8.274 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.147 9.291 2.067 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.709 9.688 1.453 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.563 10.498 1.844 1.00 0.00 C ATOM 1117 C ILE A 75 -5.580 10.654 0.689 1.00 0.00 C ATOM 1118 O ILE A 75 -5.192 11.768 0.337 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.827 9.886 3.051 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.766 9.792 4.255 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.596 10.711 3.395 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.391 11.115 4.638 1.00 0.00 C ATOM 0 H ILE A 75 -7.958 8.959 2.121 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.950 11.478 2.123 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.503 8.879 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.557 9.076 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.212 9.401 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.087 10.266 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.920 10.730 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.898 11.729 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.044 10.973 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.607 11.828 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.973 11.499 3.800 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.181 9.530 0.103 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.246 9.542 -1.016 1.00 0.00 C ATOM 1136 C ALA A 76 -4.638 10.594 -2.048 1.00 0.00 C ATOM 1137 O ALA A 76 -3.978 11.624 -2.177 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.179 8.166 -1.662 1.00 0.00 C ATOM 0 H ALA A 76 -5.490 8.600 0.384 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.259 9.799 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.477 8.189 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.844 7.435 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.167 7.887 -2.027 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.715 10.327 -2.779 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.193 11.251 -3.801 1.00 0.00 C ATOM 1146 C GLU A 77 -6.414 12.643 -3.215 1.00 0.00 C ATOM 1147 O GLU A 77 -6.215 13.653 -3.890 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.492 10.734 -4.421 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.859 11.420 -5.727 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.352 11.416 -5.988 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.999 10.383 -5.713 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.874 12.443 -6.469 1.00 0.00 O ATOM 0 H GLU A 77 -6.273 9.479 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.431 11.319 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.399 9.662 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.305 10.871 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.500 12.449 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.349 10.921 -6.551 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.829 12.687 -1.953 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.078 13.953 -1.274 1.00 0.00 C ATOM 1161 C LYS A 78 -5.817 14.811 -1.242 1.00 0.00 C ATOM 1162 O LYS A 78 -5.868 16.013 -1.500 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.572 13.701 0.153 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.083 13.581 0.261 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.581 14.023 1.627 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.619 15.539 1.743 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.880 16.106 1.190 1.00 0.00 N ATOM 0 H LYS A 78 -7.000 11.860 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.847 14.489 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.115 12.786 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.234 14.514 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.553 14.188 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.381 12.548 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.578 13.619 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.932 13.614 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.520 15.826 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.767 15.965 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.867 17.141 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.962 15.854 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.693 15.719 1.711 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.688 14.184 -0.926 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.415 14.892 -0.862 1.00 0.00 C ATOM 1183 C GLU A 79 -2.478 14.428 -1.974 1.00 0.00 C ATOM 1184 O GLU A 79 -2.126 15.200 -2.867 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.753 14.675 0.501 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.566 15.215 1.665 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.288 16.680 1.941 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.120 17.099 1.793 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.236 17.407 2.305 1.00 0.00 O ATOM 0 H GLU A 79 -4.629 13.189 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.613 15.955 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.587 13.608 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.773 15.153 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.627 15.084 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.345 14.632 2.559 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.078 13.163 -1.912 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.182 12.595 -2.913 1.00 0.00 C ATOM 1198 C LEU A 80 -1.700 12.861 -4.323 1.00 0.00 C ATOM 1199 O LEU A 80 -0.948 13.275 -5.204 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.026 11.089 -2.691 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.600 10.659 -1.287 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.201 9.191 -1.276 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.544 11.528 -0.786 1.00 0.00 C ATOM 0 H LEU A 80 -2.360 12.511 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.209 13.075 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.975 10.607 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.293 10.711 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.449 10.789 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.099 8.903 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.048 8.581 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.632 9.035 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.833 11.207 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.396 11.431 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.223 12.569 -0.754 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.992 12.623 -4.527 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.590 12.845 -5.831 1.00 0.00 C ATOM 1217 C GLY A 81 -3.819 11.554 -6.591 1.00 0.00 C ATOM 1218 O GLY A 81 -4.441 11.553 -7.654 1.00 0.00 O ATOM 0 H GLY A 81 -3.635 12.281 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.541 13.364 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.944 13.498 -6.417 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.313 10.452 -6.048 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.465 9.149 -6.683 1.00 0.00 C ATOM 1224 C ILE A 82 -4.903 8.652 -6.581 1.00 0.00 C ATOM 1225 O ILE A 82 -5.368 8.281 -5.503 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.527 8.102 -6.053 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.071 8.561 -6.159 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.712 6.751 -6.726 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.087 7.599 -5.531 1.00 0.00 C ATOM 0 H ILE A 82 -2.794 10.436 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.200 9.277 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.780 7.998 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.816 8.694 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.970 9.535 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.042 6.022 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.744 6.422 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.483 6.839 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.925 7.988 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.316 7.484 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.160 6.630 -6.025 1.00 0.00 H new ATOM 1241 N SER A 83 -5.603 8.646 -7.711 1.00 0.00 N ATOM 1242 CA SER A 83 -6.990 8.197 -7.750 1.00 0.00 C ATOM 1243 C SER A 83 -7.083 6.699 -7.474 1.00 0.00 C ATOM 1244 O SER A 83 -6.394 5.885 -8.089 1.00 0.00 O ATOM 1245 CB SER A 83 -7.614 8.517 -9.109 1.00 0.00 C ATOM 1246 OG SER A 83 -6.890 7.902 -10.161 1.00 0.00 O ATOM 0 H SER A 83 -5.232 8.947 -8.612 1.00 0.00 H new ATOM 0 HA SER A 83 -7.540 8.727 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.649 8.175 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.633 9.596 -9.259 1.00 0.00 H new ATOM 0 HG SER A 83 -6.511 7.055 -9.846 1.00 0.00 H new ATOM 1252 N PRO A 84 -7.956 6.326 -6.527 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.162 4.925 -6.148 1.00 0.00 C ATOM 1254 C PRO A 84 -8.858 4.124 -7.243 1.00 0.00 C ATOM 1255 O PRO A 84 -9.681 4.658 -7.988 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.053 5.020 -4.907 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.769 6.319 -5.054 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.810 7.242 -5.754 1.00 0.00 C ATOM 0 HA PRO A 84 -7.219 4.408 -5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.753 4.186 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.461 4.995 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.685 6.197 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.056 6.719 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.331 7.947 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.229 7.830 -5.044 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.523 2.841 -7.336 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.117 1.967 -8.339 1.00 0.00 C ATOM 1268 C ILE A 85 -10.341 1.246 -7.785 1.00 0.00 C ATOM 1269 O ILE A 85 -11.298 0.978 -8.511 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.105 0.923 -8.847 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.762 -0.069 -7.734 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.848 1.609 -9.360 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.847 -1.187 -8.182 1.00 0.00 C ATOM 0 H ILE A 85 -7.843 2.384 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.419 2.602 -9.172 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.556 0.372 -9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.290 0.469 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.685 -0.499 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.143 0.858 -9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.108 2.279 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.391 2.182 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.646 -1.852 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.325 -1.750 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.909 -0.766 -8.544 1.00 0.00 H new ATOM 1285 N MET A 86 -10.303 0.935 -6.493 1.00 0.00 N ATOM 1286 CA MET A 86 -11.410 0.247 -5.840 1.00 0.00 C ATOM 1287 C MET A 86 -11.834 0.981 -4.572 1.00 0.00 C ATOM 1288 O MET A 86 -11.203 1.957 -4.166 1.00 0.00 O ATOM 1289 CB MET A 86 -11.017 -1.192 -5.503 1.00 0.00 C ATOM 1290 CG MET A 86 -10.044 -1.300 -4.340 1.00 0.00 C ATOM 1291 SD MET A 86 -8.321 -1.216 -4.866 1.00 0.00 S ATOM 1292 CE MET A 86 -7.938 -2.956 -5.049 1.00 0.00 C ATOM 0 H MET A 86 -9.518 1.149 -5.878 1.00 0.00 H new ATOM 0 HA MET A 86 -12.254 0.233 -6.530 1.00 0.00 H new ATOM 0 HB2 MET A 86 -11.917 -1.760 -5.267 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.570 -1.654 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.242 -0.498 -3.630 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.214 -2.240 -3.815 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.920 -3.067 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.026 -3.452 -4.082 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.634 -3.410 -5.754 1.00 0.00 H new ATOM 1302 N THR A 87 -12.908 0.505 -3.949 1.00 0.00 N ATOM 1303 CA THR A 87 -13.417 1.117 -2.728 1.00 0.00 C ATOM 1304 C THR A 87 -13.350 0.144 -1.556 1.00 0.00 C ATOM 1305 O THR A 87 -13.594 -1.051 -1.714 1.00 0.00 O ATOM 1306 CB THR A 87 -14.872 1.593 -2.902 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.715 0.483 -3.226 1.00 0.00 O ATOM 1308 CG2 THR A 87 -14.969 2.647 -3.995 1.00 0.00 C ATOM 0 H THR A 87 -13.442 -0.303 -4.270 1.00 0.00 H new ATOM 0 HA THR A 87 -12.783 1.979 -2.519 1.00 0.00 H new ATOM 0 HB THR A 87 -15.201 2.036 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.638 0.794 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.005 2.968 -4.100 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.349 3.503 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.622 2.226 -4.939 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.017 0.665 -0.379 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.924 -0.172 0.803 1.00 0.00 C ATOM 1318 C GLY A 88 -13.949 -1.289 0.804 1.00 0.00 C ATOM 1319 O GLY A 88 -13.620 -2.444 1.077 1.00 0.00 O ATOM 0 H GLY A 88 -12.810 1.652 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.924 -0.601 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.061 0.444 1.692 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.196 -0.946 0.500 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.274 -1.927 0.467 1.00 0.00 C ATOM 1325 C LYS A 89 -15.955 -3.053 -0.510 1.00 0.00 C ATOM 1326 O LYS A 89 -16.099 -4.231 -0.183 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.591 -1.255 0.075 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.821 -2.072 0.433 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.370 -1.685 1.796 1.00 0.00 C ATOM 1330 CE LYS A 89 -18.839 -2.598 2.890 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.729 -3.771 3.115 1.00 0.00 N ATOM 0 H LYS A 89 -15.485 0.005 0.273 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.374 -2.353 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.654 -0.284 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.589 -1.069 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.590 -1.925 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.568 -3.132 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.099 -0.653 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.459 -1.732 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.842 -2.945 2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.740 -2.034 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.332 -4.369 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.674 -3.441 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.803 -4.324 2.237 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.518 -2.683 -1.711 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.178 -3.664 -2.735 1.00 0.00 C ATOM 1347 C GLU A 90 -13.956 -4.479 -2.323 1.00 0.00 C ATOM 1348 O GLU A 90 -13.741 -5.587 -2.814 1.00 0.00 O ATOM 1349 CB GLU A 90 -14.914 -2.967 -4.071 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.179 -2.562 -4.808 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.734 -3.679 -5.671 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -17.052 -4.753 -5.121 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -16.851 -3.476 -6.898 1.00 0.00 O ATOM 0 H GLU A 90 -15.392 -1.712 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.024 -4.342 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.307 -2.079 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.330 -3.631 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -16.935 -2.257 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.969 -1.695 -5.434 1.00 0.00 H new ATOM 1360 N MET A 91 -13.158 -3.922 -1.417 1.00 0.00 N ATOM 1361 CA MET A 91 -11.958 -4.598 -0.939 1.00 0.00 C ATOM 1362 C MET A 91 -12.294 -5.575 0.183 1.00 0.00 C ATOM 1363 O MET A 91 -11.711 -6.654 0.275 1.00 0.00 O ATOM 1364 CB MET A 91 -10.932 -3.574 -0.448 1.00 0.00 C ATOM 1365 CG MET A 91 -9.628 -4.198 0.021 1.00 0.00 C ATOM 1366 SD MET A 91 -8.288 -2.997 0.143 1.00 0.00 S ATOM 1367 CE MET A 91 -7.328 -3.412 -1.311 1.00 0.00 C ATOM 0 H MET A 91 -13.321 -3.006 -1.000 1.00 0.00 H new ATOM 0 HA MET A 91 -11.532 -5.160 -1.770 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.720 -2.870 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.366 -3.001 0.371 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.782 -4.665 0.994 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.339 -4.990 -0.670 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.351 -3.789 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.850 -4.178 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.198 -2.522 -1.927 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.239 -5.188 1.035 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.654 -6.031 2.150 1.00 0.00 C ATOM 1379 C ALA A 92 -14.592 -7.138 1.681 1.00 0.00 C ATOM 1380 O ALA A 92 -14.660 -8.206 2.290 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.322 -5.190 3.227 1.00 0.00 C ATOM 0 H ALA A 92 -13.731 -4.297 0.974 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.764 -6.499 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.627 -5.832 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.620 -4.440 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.199 -4.695 2.810 1.00 0.00 H new ATOM 1387 N SER A 93 -15.315 -6.875 0.597 1.00 0.00 N ATOM 1388 CA SER A 93 -16.254 -7.847 0.050 1.00 0.00 C ATOM 1389 C SER A 93 -15.537 -8.843 -0.857 1.00 0.00 C ATOM 1390 O SER A 93 -15.627 -10.055 -0.661 1.00 0.00 O ATOM 1391 CB SER A 93 -17.361 -7.136 -0.730 1.00 0.00 C ATOM 1392 OG SER A 93 -18.200 -6.394 0.138 1.00 0.00 O ATOM 0 H SER A 93 -15.268 -5.997 0.080 1.00 0.00 H new ATOM 0 HA SER A 93 -16.699 -8.393 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.918 -6.470 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.955 -7.870 -1.276 1.00 0.00 H new ATOM 0 HG SER A 93 -17.805 -5.512 0.299 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.824 -8.323 -1.850 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.090 -9.164 -2.788 1.00 0.00 C ATOM 1400 C VAL A 94 -13.183 -10.145 -2.052 1.00 0.00 C ATOM 1401 O VAL A 94 -12.533 -9.788 -1.071 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.238 -8.319 -3.753 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.968 -7.842 -3.066 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.909 -9.113 -5.008 1.00 0.00 C ATOM 0 H VAL A 94 -14.739 -7.322 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.832 -9.719 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.815 -7.442 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.379 -7.247 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.229 -7.234 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.384 -8.703 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.306 -8.500 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.351 -10.009 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.833 -9.399 -5.510 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.144 -11.383 -2.535 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.313 -12.396 -1.911 1.00 0.00 C ATOM 1416 C GLY A 95 -10.834 -12.089 -2.033 1.00 0.00 C ATOM 1417 O GLY A 95 -10.071 -12.299 -1.091 1.00 0.00 O ATOM 0 H GLY A 95 -13.673 -11.702 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.578 -12.480 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.519 -13.363 -2.369 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.429 -11.592 -3.198 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.030 -11.258 -3.439 1.00 0.00 C ATOM 1423 C GLU A 96 -8.892 -10.329 -4.642 1.00 0.00 C ATOM 1424 O GLU A 96 -9.561 -10.491 -5.663 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.211 -12.530 -3.667 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.718 -12.338 -3.460 1.00 0.00 C ATOM 1427 CD GLU A 96 -5.930 -13.615 -3.676 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -5.879 -14.446 -2.745 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.363 -13.783 -4.776 1.00 0.00 O ATOM 0 H GLU A 96 -11.049 -11.412 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.649 -10.742 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.566 -13.307 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.386 -12.887 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.356 -11.572 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.539 -11.972 -2.449 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.004 -9.331 -4.520 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.758 -8.356 -5.587 1.00 0.00 C ATOM 1438 C PRO A 97 -7.045 -8.975 -6.784 1.00 0.00 C ATOM 1439 O PRO A 97 -6.686 -10.153 -6.765 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.864 -7.312 -4.913 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.186 -8.049 -3.810 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.173 -9.078 -3.332 1.00 0.00 C ATOM 0 HA PRO A 97 -8.685 -7.948 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.141 -6.898 -5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.450 -6.477 -4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.269 -8.522 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.906 -7.372 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.674 -9.985 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.768 -8.707 -2.497 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.841 -8.175 -7.824 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.170 -8.644 -9.031 1.00 0.00 C ATOM 1452 C ASP A 98 -4.721 -8.166 -9.067 1.00 0.00 C ATOM 1453 O ASP A 98 -4.448 -6.970 -8.967 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.911 -8.156 -10.276 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.449 -8.859 -11.538 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.239 -8.800 -11.839 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.298 -9.466 -12.224 1.00 0.00 O ATOM 0 H ASP A 98 -7.131 -7.198 -7.856 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.175 -9.734 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.981 -8.317 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.762 -7.082 -10.386 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.796 -9.109 -9.208 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.375 -8.786 -9.258 1.00 0.00 C ATOM 1464 C LYS A 99 -2.129 -7.539 -10.101 1.00 0.00 C ATOM 1465 O LYS A 99 -1.476 -6.594 -9.655 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.582 -9.964 -9.828 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.080 -9.741 -9.834 1.00 0.00 C ATOM 1468 CD LYS A 99 0.501 -9.822 -8.433 1.00 0.00 C ATOM 1469 CE LYS A 99 0.850 -11.254 -8.056 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.637 -11.319 -6.793 1.00 0.00 N ATOM 0 H LYS A 99 -4.005 -10.104 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.038 -8.588 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.806 -10.857 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.916 -10.157 -10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.397 -10.487 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.142 -8.765 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.394 -9.201 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.216 -9.421 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.066 -11.833 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.420 -11.713 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.855 -12.311 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.523 -10.787 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.083 -10.904 -6.017 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.658 -7.541 -11.319 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.497 -6.408 -12.225 1.00 0.00 C ATOM 1486 C LEU A 100 -2.959 -5.113 -11.564 1.00 0.00 C ATOM 1487 O LEU A 100 -2.158 -4.211 -11.317 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.285 -6.645 -13.514 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.629 -7.567 -14.542 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.617 -7.932 -15.640 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.390 -6.911 -15.133 1.00 0.00 C ATOM 0 H LEU A 100 -3.202 -8.314 -11.703 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.438 -6.314 -12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.257 -7.061 -13.250 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.469 -5.680 -13.986 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.324 -8.484 -14.037 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.132 -8.589 -16.362 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.474 -8.444 -15.203 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.954 -7.025 -16.143 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.936 -7.582 -15.863 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.671 -5.978 -15.623 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.674 -6.702 -14.338 1.00 0.00 H new ATOM 1503 N SER A 101 -4.254 -5.029 -11.278 1.00 0.00 N ATOM 1504 CA SER A 101 -4.823 -3.844 -10.647 1.00 0.00 C ATOM 1505 C SER A 101 -3.973 -3.400 -9.460 1.00 0.00 C ATOM 1506 O SER A 101 -3.568 -2.242 -9.372 1.00 0.00 O ATOM 1507 CB SER A 101 -6.255 -4.123 -10.187 1.00 0.00 C ATOM 1508 OG SER A 101 -7.121 -4.299 -11.295 1.00 0.00 O ATOM 0 H SER A 101 -4.929 -5.768 -11.473 1.00 0.00 H new ATOM 0 HA SER A 101 -4.836 -3.041 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.272 -5.016 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.610 -3.297 -9.571 1.00 0.00 H new ATOM 0 HG SER A 101 -8.030 -4.478 -10.975 1.00 0.00 H new ATOM 1514 N MET A 102 -3.708 -4.331 -8.549 1.00 0.00 N ATOM 1515 CA MET A 102 -2.905 -4.037 -7.368 1.00 0.00 C ATOM 1516 C MET A 102 -1.567 -3.419 -7.760 1.00 0.00 C ATOM 1517 O MET A 102 -1.277 -2.273 -7.417 1.00 0.00 O ATOM 1518 CB MET A 102 -2.673 -5.310 -6.552 1.00 0.00 C ATOM 1519 CG MET A 102 -3.940 -5.868 -5.924 1.00 0.00 C ATOM 1520 SD MET A 102 -4.667 -4.747 -4.713 1.00 0.00 S ATOM 1521 CE MET A 102 -3.282 -4.500 -3.605 1.00 0.00 C ATOM 0 H MET A 102 -4.037 -5.295 -8.606 1.00 0.00 H new ATOM 0 HA MET A 102 -3.452 -3.318 -6.758 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.232 -6.070 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.949 -5.100 -5.765 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.669 -6.073 -6.708 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.714 -6.819 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.576 -3.827 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.978 -5.458 -3.184 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.448 -4.065 -4.156 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.754 -4.186 -8.479 1.00 0.00 N ATOM 1532 CA VAL A 103 0.554 -3.714 -8.918 1.00 0.00 C ATOM 1533 C VAL A 103 0.447 -2.354 -9.599 1.00 0.00 C ATOM 1534 O VAL A 103 0.998 -1.364 -9.120 1.00 0.00 O ATOM 1535 CB VAL A 103 1.214 -4.711 -9.889 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.555 -4.180 -10.370 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.376 -6.071 -9.227 1.00 0.00 C ATOM 0 H VAL A 103 -0.978 -5.138 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 103 1.173 -3.623 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 103 0.565 -4.830 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.006 -4.898 -11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.407 -3.231 -10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.215 -4.030 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.844 -6.763 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.003 -5.972 -8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.397 -6.454 -8.938 1.00 0.00 H new ATOM 1547 N MET A 104 -0.268 -2.314 -10.719 1.00 0.00 N ATOM 1548 CA MET A 104 -0.449 -1.074 -11.465 1.00 0.00 C ATOM 1549 C MET A 104 -0.822 0.073 -10.532 1.00 0.00 C ATOM 1550 O MET A 104 -0.222 1.147 -10.581 1.00 0.00 O ATOM 1551 CB MET A 104 -1.530 -1.250 -12.534 1.00 0.00 C ATOM 1552 CG MET A 104 -1.088 -2.105 -13.710 1.00 0.00 C ATOM 1553 SD MET A 104 -1.996 -1.730 -15.222 1.00 0.00 S ATOM 1554 CE MET A 104 -2.475 -3.374 -15.746 1.00 0.00 C ATOM 0 H MET A 104 -0.731 -3.125 -11.129 1.00 0.00 H new ATOM 0 HA MET A 104 0.496 -0.830 -11.951 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.411 -1.702 -12.078 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.829 -0.268 -12.901 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.023 -1.954 -13.884 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.224 -3.157 -13.461 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.488 -3.347 -16.148 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.788 -3.725 -16.516 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.441 -4.052 -14.893 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.816 -0.162 -9.682 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.271 0.853 -8.739 1.00 0.00 C ATOM 1566 C TYR A 105 -1.139 1.278 -7.808 1.00 0.00 C ATOM 1567 O TYR A 105 -0.674 2.417 -7.855 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.450 0.326 -7.920 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.814 1.208 -6.746 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.227 2.520 -6.940 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.746 0.728 -5.444 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.560 3.329 -5.871 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.079 1.529 -4.369 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.485 2.829 -4.588 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.817 3.631 -3.520 1.00 0.00 O ATOM 0 H TYR A 105 -2.322 -1.046 -9.627 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.594 1.724 -9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.318 0.226 -8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.210 -0.672 -7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.289 2.914 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.427 -0.289 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.877 4.348 -6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.022 1.140 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.045 4.181 -3.271 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.700 0.353 -6.962 1.00 0.00 N ATOM 1586 CA LEU A 106 0.378 0.629 -6.018 1.00 0.00 C ATOM 1587 C LEU A 106 1.503 1.410 -6.690 1.00 0.00 C ATOM 1588 O LEU A 106 1.977 2.416 -6.161 1.00 0.00 O ATOM 1589 CB LEU A 106 0.924 -0.678 -5.441 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.049 -1.496 -4.591 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.451 -2.923 -4.430 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.250 -0.841 -3.232 1.00 0.00 C ATOM 0 H LEU A 106 -1.074 -0.595 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.028 1.235 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.266 -1.302 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.799 -0.446 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.011 -1.527 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.255 -3.489 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.541 -3.390 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.425 -2.914 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.945 -1.436 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.707 -0.778 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.655 0.162 -3.368 1.00 0.00 H new ATOM 1604 N THR A 107 1.925 0.942 -7.861 1.00 0.00 N ATOM 1605 CA THR A 107 2.992 1.597 -8.606 1.00 0.00 C ATOM 1606 C THR A 107 2.935 3.111 -8.432 1.00 0.00 C ATOM 1607 O THR A 107 3.951 3.752 -8.164 1.00 0.00 O ATOM 1608 CB THR A 107 2.918 1.261 -10.107 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.990 -0.156 -10.296 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.046 1.938 -10.870 1.00 0.00 C ATOM 0 H THR A 107 1.543 0.111 -8.313 1.00 0.00 H new ATOM 0 HA THR A 107 3.934 1.223 -8.204 1.00 0.00 H new ATOM 0 HB THR A 107 1.968 1.630 -10.493 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.093 -0.543 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.972 1.686 -11.928 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.970 3.019 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.005 1.596 -10.481 1.00 0.00 H new ATOM 1618 N GLN A 108 1.742 3.675 -8.586 1.00 0.00 N ATOM 1619 CA GLN A 108 1.554 5.114 -8.446 1.00 0.00 C ATOM 1620 C GLN A 108 2.241 5.633 -7.186 1.00 0.00 C ATOM 1621 O GLN A 108 2.954 6.636 -7.224 1.00 0.00 O ATOM 1622 CB GLN A 108 0.063 5.453 -8.404 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.683 5.075 -9.674 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.105 5.600 -9.693 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.342 6.772 -9.988 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.061 4.733 -9.380 1.00 0.00 N ATOM 0 H GLN A 108 0.891 3.158 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 108 2.006 5.600 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.394 4.940 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.053 6.523 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.144 5.465 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.699 3.990 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.819 3.771 -9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.037 5.029 -9.378 1.00 0.00 H new ATOM 1635 N PHE A 109 2.021 4.943 -6.072 1.00 0.00 N ATOM 1636 CA PHE A 109 2.618 5.335 -4.800 1.00 0.00 C ATOM 1637 C PHE A 109 4.132 5.147 -4.829 1.00 0.00 C ATOM 1638 O PHE A 109 4.888 6.048 -4.465 1.00 0.00 O ATOM 1639 CB PHE A 109 2.013 4.518 -3.656 1.00 0.00 C ATOM 1640 CG PHE A 109 0.578 4.858 -3.371 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.438 4.350 -4.164 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.246 5.684 -2.310 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.759 4.661 -3.904 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.074 5.999 -2.045 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.078 5.486 -2.842 1.00 0.00 C ATOM 0 H PHE A 109 1.434 4.110 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 109 2.404 6.391 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.086 3.458 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.603 4.679 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.195 3.704 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.027 6.087 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.542 4.260 -4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.319 6.646 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.110 5.729 -2.636 1.00 0.00 H new ATOM 1655 N TYR A 110 4.568 3.970 -5.264 1.00 0.00 N ATOM 1656 CA TYR A 110 5.991 3.661 -5.338 1.00 0.00 C ATOM 1657 C TYR A 110 6.736 4.719 -6.146 1.00 0.00 C ATOM 1658 O TYR A 110 7.634 5.387 -5.634 1.00 0.00 O ATOM 1659 CB TYR A 110 6.203 2.282 -5.965 1.00 0.00 C ATOM 1660 CG TYR A 110 7.525 2.141 -6.685 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.662 1.707 -6.014 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.638 2.441 -8.037 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.872 1.578 -6.667 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.844 2.313 -8.699 1.00 0.00 C ATOM 1665 CZ TYR A 110 9.958 1.882 -8.010 1.00 0.00 C ATOM 1666 OH TYR A 110 11.161 1.753 -8.665 1.00 0.00 O ATOM 0 H TYR A 110 3.956 3.214 -5.571 1.00 0.00 H new ATOM 0 HA TYR A 110 6.389 3.657 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.141 1.524 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.393 2.083 -6.667 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.598 1.466 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.768 2.780 -8.580 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.746 1.241 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.914 2.549 -9.751 1.00 0.00 H new ATOM 0 HH TYR A 110 11.050 2.005 -9.605 1.00 0.00 H new ATOM 1676 N GLU A 111 6.356 4.865 -7.411 1.00 0.00 N ATOM 1677 CA GLU A 111 6.988 5.842 -8.290 1.00 0.00 C ATOM 1678 C GLU A 111 7.054 7.212 -7.623 1.00 0.00 C ATOM 1679 O GLU A 111 7.972 7.993 -7.874 1.00 0.00 O ATOM 1680 CB GLU A 111 6.223 5.943 -9.612 1.00 0.00 C ATOM 1681 CG GLU A 111 6.626 4.889 -10.630 1.00 0.00 C ATOM 1682 CD GLU A 111 6.298 5.298 -12.053 1.00 0.00 C ATOM 1683 OE1 GLU A 111 6.475 6.489 -12.383 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.866 4.427 -12.836 1.00 0.00 O ATOM 0 H GLU A 111 5.614 4.320 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 111 8.005 5.506 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.155 5.854 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.385 6.932 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.696 4.700 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.118 3.953 -10.399 1.00 0.00 H new ATOM 1691 N MET A 112 6.074 7.497 -6.771 1.00 0.00 N ATOM 1692 CA MET A 112 6.021 8.773 -6.067 1.00 0.00 C ATOM 1693 C MET A 112 7.059 8.821 -4.950 1.00 0.00 C ATOM 1694 O MET A 112 7.648 9.868 -4.680 1.00 0.00 O ATOM 1695 CB MET A 112 4.623 9.004 -5.490 1.00 0.00 C ATOM 1696 CG MET A 112 4.483 10.320 -4.743 1.00 0.00 C ATOM 1697 SD MET A 112 3.972 11.676 -5.816 1.00 0.00 S ATOM 1698 CE MET A 112 2.192 11.474 -5.792 1.00 0.00 C ATOM 0 H MET A 112 5.307 6.862 -6.552 1.00 0.00 H new ATOM 0 HA MET A 112 6.246 9.564 -6.783 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.895 8.977 -6.301 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.378 8.184 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.755 10.202 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.435 10.571 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.730 12.242 -6.412 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.932 10.489 -6.180 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.829 11.568 -4.769 1.00 0.00 H new ATOM 1708 N PHE A 113 7.278 7.681 -4.303 1.00 0.00 N ATOM 1709 CA PHE A 113 8.244 7.594 -3.213 1.00 0.00 C ATOM 1710 C PHE A 113 9.418 6.699 -3.599 1.00 0.00 C ATOM 1711 O PHE A 113 10.086 6.125 -2.737 1.00 0.00 O ATOM 1712 CB PHE A 113 7.571 7.056 -1.949 1.00 0.00 C ATOM 1713 CG PHE A 113 6.370 7.851 -1.524 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.441 9.230 -1.409 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.169 7.220 -1.242 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.337 9.964 -1.017 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.062 7.948 -0.850 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.146 9.323 -0.739 1.00 0.00 C ATOM 0 H PHE A 113 6.800 6.805 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 113 8.623 8.596 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.271 6.022 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.297 7.047 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.369 9.737 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.097 6.146 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.406 11.038 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.133 7.443 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.282 9.895 -0.435 1.00 0.00 H new ATOM 1728 N LYS A 114 9.664 6.582 -4.899 1.00 0.00 N ATOM 1729 CA LYS A 114 10.757 5.758 -5.401 1.00 0.00 C ATOM 1730 C LYS A 114 12.098 6.464 -5.221 1.00 0.00 C ATOM 1731 O LYS A 114 13.102 5.834 -4.888 1.00 0.00 O ATOM 1732 CB LYS A 114 10.538 5.428 -6.879 1.00 0.00 C ATOM 1733 CG LYS A 114 10.980 6.534 -7.821 1.00 0.00 C ATOM 1734 CD LYS A 114 11.010 6.059 -9.264 1.00 0.00 C ATOM 1735 CE LYS A 114 10.881 7.221 -10.237 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.198 7.856 -10.520 1.00 0.00 N ATOM 0 H LYS A 114 9.120 7.048 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 114 10.773 4.832 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.082 4.515 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.480 5.223 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.302 7.383 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.971 6.885 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.942 5.526 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.199 5.351 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.441 6.867 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.200 7.966 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.068 8.643 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.607 8.217 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.840 7.152 -10.937 1.00 0.00 H new