USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 66 THR OG1 : rot -45:sc= 1.17 USER MOD Set 1.2: A 121 TYR OH : rot 0:sc= 1.51 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -157:sc= -0.173 (180deg=-1.34) USER MOD Single : A 60 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3.5!) USER MOD Single : A 62 ASN : amide:sc= -1.69! C(o=-1.7!,f=-3.1!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.679 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.53! C(o=-5.3!,f=-2.5!) USER MOD Single : A 78 MET CE :methyl -173:sc= -7.2! (180deg=-7.65!) USER MOD Single : A 80 ASN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 82 GLN : amide:sc= -2.68! C(o=-2.7!,f=-2.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= -0.202 (180deg=-1.25) USER MOD Single : A 92 MET CE :methyl 135:sc= -2.88 (180deg=-5.25!) USER MOD Single : A 93 SER OG : rot 81:sc= 1.21 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 ASN : amide:sc= -6.87! C(o=-6.9!,f=-11!) USER MOD Single : A 98 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.27 F(o=-0.94,f=-0.27) USER MOD Single : A 108 SER OG : rot 180:sc= 0.441 USER MOD Single : A 118 THR OG1 : rot 160:sc= 0 USER MOD Single : A 119 TYR OH : rot 97:sc= -0.878 USER MOD Single : A 120 LYS NZ :NH3+ 150:sc= 0.411! (180deg=-0.96!) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0403 F(o=-1.7!,f=-0.04) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.702 -9.135 -2.704 1.00 0.00 N ATOM 107 CA ARG A 36 0.612 -8.635 -3.528 1.00 0.00 C ATOM 108 C ARG A 36 0.764 -9.164 -4.947 1.00 0.00 C ATOM 109 O ARG A 36 1.879 -9.426 -5.396 1.00 0.00 O ATOM 110 CB ARG A 36 0.639 -7.110 -3.535 1.00 0.00 C ATOM 111 CG ARG A 36 0.397 -6.606 -2.114 1.00 0.00 C ATOM 112 CD ARG A 36 0.665 -5.104 -2.046 1.00 0.00 C ATOM 113 NE ARG A 36 -0.452 -4.359 -2.610 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.347 -3.766 -1.827 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.261 -3.883 -0.528 1.00 0.00 N ATOM 116 NH2 ARG A 36 -2.314 -3.069 -2.357 1.00 0.00 N ATOM 0 HA ARG A 36 -0.340 -8.974 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.600 -6.751 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.126 -6.722 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.630 -6.816 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.047 -7.133 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.824 -4.804 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.579 -4.867 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.549 -4.291 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.506 -4.430 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.949 -3.427 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.382 -2.980 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.002 -2.613 -1.758 1.00 0.00 H new ATOM 130 N ARG A 37 -0.347 -9.314 -5.655 1.00 0.00 N ATOM 131 CA ARG A 37 -0.278 -9.803 -7.022 1.00 0.00 C ATOM 132 C ARG A 37 -1.393 -9.226 -7.878 1.00 0.00 C ATOM 133 O ARG A 37 -2.543 -9.131 -7.449 1.00 0.00 O ATOM 134 CB ARG A 37 -0.349 -11.331 -7.055 1.00 0.00 C ATOM 135 CG ARG A 37 -0.197 -11.803 -8.504 1.00 0.00 C ATOM 136 CD ARG A 37 -0.183 -13.334 -8.561 1.00 0.00 C ATOM 137 NE ARG A 37 -1.509 -13.876 -8.268 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.390 -14.100 -9.243 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.069 -13.833 -10.475 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.569 -14.595 -8.971 1.00 0.00 N ATOM 0 H ARG A 37 -1.286 -9.109 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 37 0.678 -9.477 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.439 -11.759 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.299 -11.673 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.018 -11.416 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.726 -11.407 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.139 -13.663 -9.549 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.540 -13.723 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.764 -14.086 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.147 -13.454 -10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.739 -14.003 -11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.821 -14.813 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.237 -14.763 -9.723 1.00 0.00 H new ATOM 154 N GLU A 38 -1.032 -8.868 -9.104 1.00 0.00 N ATOM 155 CA GLU A 38 -1.990 -8.322 -10.058 1.00 0.00 C ATOM 156 C GLU A 38 -1.875 -9.058 -11.380 1.00 0.00 C ATOM 157 O GLU A 38 -0.785 -9.458 -11.791 1.00 0.00 O ATOM 158 CB GLU A 38 -1.729 -6.835 -10.312 1.00 0.00 C ATOM 159 CG GLU A 38 -1.979 -6.026 -9.042 1.00 0.00 C ATOM 160 CD GLU A 38 -3.422 -6.208 -8.590 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.230 -6.605 -9.410 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.700 -5.946 -7.431 1.00 0.00 O ATOM 0 H GLU A 38 -0.080 -8.946 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.987 -8.445 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.701 -6.692 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.377 -6.477 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.298 -6.349 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.776 -4.971 -9.226 1.00 0.00 H new ATOM 169 N LEU A 39 -3.003 -9.215 -12.049 1.00 0.00 N ATOM 170 CA LEU A 39 -3.026 -9.884 -13.336 1.00 0.00 C ATOM 171 C LEU A 39 -3.935 -9.111 -14.286 1.00 0.00 C ATOM 172 O LEU A 39 -4.958 -8.573 -13.861 1.00 0.00 O ATOM 173 CB LEU A 39 -3.529 -11.317 -13.167 1.00 0.00 C ATOM 174 CG LEU A 39 -3.179 -12.134 -14.408 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.237 -13.622 -14.064 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.168 -11.819 -15.533 1.00 0.00 C ATOM 0 H LEU A 39 -3.913 -8.889 -11.723 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.019 -9.917 -13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.079 -11.769 -12.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.608 -11.318 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.173 -11.878 -14.742 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.988 -14.210 -14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.523 -13.840 -13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.242 -13.879 -13.729 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.913 -12.405 -16.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.178 -12.070 -15.210 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.118 -10.757 -15.775 1.00 0.00 H new ATOM 188 N ALA A 40 -3.571 -9.033 -15.563 1.00 0.00 N ATOM 189 CA ALA A 40 -4.394 -8.293 -16.516 1.00 0.00 C ATOM 190 C ALA A 40 -4.486 -9.022 -17.849 1.00 0.00 C ATOM 191 O ALA A 40 -3.508 -9.608 -18.320 1.00 0.00 O ATOM 192 CB ALA A 40 -3.800 -6.899 -16.738 1.00 0.00 C ATOM 0 H ALA A 40 -2.733 -9.461 -15.956 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.398 -8.208 -16.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.417 -6.350 -17.450 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.772 -6.360 -15.791 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.788 -6.993 -17.132 1.00 0.00 H new ATOM 198 N CYS A 41 -5.677 -9.012 -18.437 1.00 0.00 N ATOM 199 CA CYS A 41 -5.902 -9.702 -19.699 1.00 0.00 C ATOM 200 C CYS A 41 -5.103 -9.060 -20.825 1.00 0.00 C ATOM 201 O CYS A 41 -5.025 -7.836 -20.935 1.00 0.00 O ATOM 202 CB CYS A 41 -7.390 -9.664 -20.044 1.00 0.00 C ATOM 203 SG CYS A 41 -8.340 -10.253 -18.626 1.00 0.00 S ATOM 0 H CYS A 41 -6.497 -8.536 -18.061 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.571 -10.735 -19.589 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.690 -8.649 -20.302 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.590 -10.287 -20.916 1.00 0.00 H new ATOM 208 N GLU A 42 -4.503 -9.906 -21.654 1.00 0.00 N ATOM 209 CA GLU A 42 -3.699 -9.433 -22.772 1.00 0.00 C ATOM 210 C GLU A 42 -4.383 -8.309 -23.534 1.00 0.00 C ATOM 211 O GLU A 42 -5.531 -8.434 -23.957 1.00 0.00 O ATOM 212 CB GLU A 42 -3.444 -10.580 -23.742 1.00 0.00 C ATOM 213 CG GLU A 42 -2.537 -10.096 -24.866 1.00 0.00 C ATOM 214 CD GLU A 42 -2.462 -11.145 -25.965 1.00 0.00 C ATOM 215 OE1 GLU A 42 -3.016 -12.215 -25.774 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.863 -10.858 -26.988 1.00 0.00 O ATOM 0 H GLU A 42 -4.558 -10.921 -21.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.765 -9.054 -22.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.980 -11.417 -23.220 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.387 -10.942 -24.151 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.917 -9.159 -25.272 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.539 -9.893 -24.477 1.00 0.00 H new ATOM 223 N GLY A 43 -3.646 -7.228 -23.742 1.00 0.00 N ATOM 224 CA GLY A 43 -4.161 -6.097 -24.495 1.00 0.00 C ATOM 225 C GLY A 43 -4.737 -5.003 -23.607 1.00 0.00 C ATOM 226 O GLY A 43 -4.981 -3.894 -24.087 1.00 0.00 O ATOM 0 H GLY A 43 -2.692 -7.111 -23.400 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.360 -5.678 -25.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.934 -6.445 -25.180 1.00 0.00 H new ATOM 230 N TYR A 44 -4.947 -5.273 -22.321 1.00 0.00 N ATOM 231 CA TYR A 44 -5.479 -4.246 -21.440 1.00 0.00 C ATOM 232 C TYR A 44 -4.410 -3.788 -20.453 1.00 0.00 C ATOM 233 O TYR A 44 -3.542 -4.564 -20.053 1.00 0.00 O ATOM 234 CB TYR A 44 -6.688 -4.772 -20.663 1.00 0.00 C ATOM 235 CG TYR A 44 -7.821 -5.043 -21.619 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.772 -6.159 -22.461 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.924 -4.181 -21.661 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.823 -6.413 -23.347 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.976 -4.435 -22.549 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.925 -5.552 -23.392 1.00 0.00 C ATOM 241 OH TYR A 44 -10.964 -5.803 -24.266 1.00 0.00 O ATOM 0 H TYR A 44 -4.761 -6.172 -21.877 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.790 -3.403 -22.057 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.422 -5.685 -20.130 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.997 -4.043 -19.913 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.922 -6.824 -22.427 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.963 -3.321 -21.009 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.784 -7.274 -23.997 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.826 -3.770 -22.584 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.649 -5.109 -24.168 1.00 0.00 H new ATOM 251 N PRO A 45 -4.462 -2.552 -20.056 1.00 0.00 N ATOM 252 CA PRO A 45 -3.484 -1.972 -19.091 1.00 0.00 C ATOM 253 C PRO A 45 -3.553 -2.624 -17.711 1.00 0.00 C ATOM 254 O PRO A 45 -4.612 -3.079 -17.279 1.00 0.00 O ATOM 255 CB PRO A 45 -3.868 -0.490 -19.023 1.00 0.00 C ATOM 256 CG PRO A 45 -5.277 -0.412 -19.511 1.00 0.00 C ATOM 257 CD PRO A 45 -5.463 -1.567 -20.488 1.00 0.00 C ATOM 0 HA PRO A 45 -2.456 -2.136 -19.416 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.785 -0.111 -18.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.206 0.114 -19.643 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.979 -0.489 -18.681 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.465 0.544 -20.000 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.473 -1.974 -20.439 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.296 -1.251 -21.518 1.00 0.00 H new ATOM 265 N ILE A 46 -2.414 -2.642 -17.020 1.00 0.00 N ATOM 266 CA ILE A 46 -2.347 -3.219 -15.679 1.00 0.00 C ATOM 267 C ILE A 46 -1.986 -2.125 -14.683 1.00 0.00 C ATOM 268 O ILE A 46 -1.301 -1.168 -15.042 1.00 0.00 O ATOM 269 CB ILE A 46 -1.300 -4.333 -15.614 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.431 -5.061 -14.280 1.00 0.00 C ATOM 271 CG2 ILE A 46 0.104 -3.732 -15.715 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.624 -6.361 -14.322 1.00 0.00 C ATOM 0 H ILE A 46 -1.530 -2.266 -17.364 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.319 -3.647 -15.433 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.459 -5.027 -16.440 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.073 -4.425 -13.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.479 -5.278 -14.074 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.845 -4.530 -15.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.204 -3.198 -16.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.264 -3.039 -14.889 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.719 -6.879 -13.368 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.003 -6.999 -15.121 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.425 -6.132 -14.507 1.00 0.00 H new ATOM 284 N GLU A 47 -2.462 -2.249 -13.444 1.00 0.00 N ATOM 285 CA GLU A 47 -2.182 -1.220 -12.452 1.00 0.00 C ATOM 286 C GLU A 47 -1.692 -1.784 -11.125 1.00 0.00 C ATOM 287 O GLU A 47 -2.309 -2.671 -10.535 1.00 0.00 O ATOM 288 CB GLU A 47 -3.434 -0.384 -12.213 1.00 0.00 C ATOM 289 CG GLU A 47 -3.118 0.718 -11.206 1.00 0.00 C ATOM 290 CD GLU A 47 -4.345 1.599 -11.011 1.00 0.00 C ATOM 291 OE1 GLU A 47 -4.714 2.276 -11.958 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.899 1.585 -9.926 1.00 0.00 O ATOM 0 H GLU A 47 -3.028 -3.030 -13.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.377 -0.605 -12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.779 0.052 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.241 -1.014 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.818 0.280 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.279 1.318 -11.559 1.00 0.00 H new ATOM 299 N LEU A 48 -0.582 -1.219 -10.659 1.00 0.00 N ATOM 300 CA LEU A 48 0.011 -1.608 -9.386 1.00 0.00 C ATOM 301 C LEU A 48 0.075 -0.391 -8.465 1.00 0.00 C ATOM 302 O LEU A 48 0.413 0.704 -8.910 1.00 0.00 O ATOM 303 CB LEU A 48 1.423 -2.136 -9.612 1.00 0.00 C ATOM 304 CG LEU A 48 1.407 -3.190 -10.712 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.847 -3.568 -11.065 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.656 -4.436 -10.229 1.00 0.00 C ATOM 0 H LEU A 48 -0.072 -0.484 -11.150 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.599 -2.388 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.088 -1.318 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.813 -2.565 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 48 0.903 -2.789 -11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.843 -4.322 -11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.380 -2.683 -11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.345 -3.968 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.648 -5.186 -11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.154 -4.843 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.369 -4.167 -9.974 1.00 0.00 H new ATOM 318 N ARG A 49 -0.246 -0.580 -7.192 1.00 0.00 N ATOM 319 CA ARG A 49 -0.206 0.532 -6.249 1.00 0.00 C ATOM 320 C ARG A 49 0.177 0.052 -4.853 1.00 0.00 C ATOM 321 O ARG A 49 -0.369 -0.926 -4.349 1.00 0.00 O ATOM 322 CB ARG A 49 -1.568 1.223 -6.196 1.00 0.00 C ATOM 323 CG ARG A 49 -1.902 1.808 -7.567 1.00 0.00 C ATOM 324 CD ARG A 49 -3.196 2.620 -7.468 1.00 0.00 C ATOM 325 NE ARG A 49 -3.610 3.081 -8.790 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.446 4.106 -8.931 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.917 4.720 -7.879 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.796 4.502 -10.125 1.00 0.00 N ATOM 0 H ARG A 49 -0.532 -1.474 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 49 0.549 1.239 -6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.337 0.510 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.557 2.013 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.086 2.443 -7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.016 1.008 -8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.983 2.009 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.047 3.475 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.252 2.609 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.644 4.414 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.558 5.506 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.428 4.025 -10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.437 5.288 -10.234 1.00 0.00 H new ATOM 342 N CYS A 50 1.121 0.754 -4.234 1.00 0.00 N ATOM 343 CA CYS A 50 1.569 0.390 -2.900 1.00 0.00 C ATOM 344 C CYS A 50 0.879 1.256 -1.846 1.00 0.00 C ATOM 345 O CYS A 50 0.573 2.425 -2.087 1.00 0.00 O ATOM 346 CB CYS A 50 3.086 0.548 -2.807 1.00 0.00 C ATOM 347 SG CYS A 50 3.875 -0.962 -3.413 1.00 0.00 S ATOM 0 H CYS A 50 1.585 1.570 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 50 1.305 -0.651 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.412 1.405 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.382 0.739 -1.775 1.00 0.00 H new ATOM 352 N PRO A 51 0.622 0.700 -0.692 1.00 0.00 N ATOM 353 CA PRO A 51 -0.060 1.422 0.420 1.00 0.00 C ATOM 354 C PRO A 51 0.799 2.541 0.986 1.00 0.00 C ATOM 355 O PRO A 51 2.023 2.532 0.847 1.00 0.00 O ATOM 356 CB PRO A 51 -0.310 0.339 1.475 1.00 0.00 C ATOM 357 CG PRO A 51 0.680 -0.739 1.183 1.00 0.00 C ATOM 358 CD PRO A 51 0.960 -0.680 -0.320 1.00 0.00 C ATOM 0 HA PRO A 51 -0.977 1.907 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.175 0.734 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.331 -0.039 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.596 -0.589 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.285 -1.715 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.003 -0.909 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.353 -1.401 -0.867 1.00 0.00 H new ATOM 366 N GLY A 52 0.148 3.488 1.644 1.00 0.00 N ATOM 367 CA GLY A 52 0.844 4.607 2.264 1.00 0.00 C ATOM 368 C GLY A 52 1.832 5.274 1.308 1.00 0.00 C ATOM 369 O GLY A 52 1.450 5.801 0.262 1.00 0.00 O ATOM 0 H GLY A 52 -0.865 3.504 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.115 5.343 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.377 4.256 3.148 1.00 0.00 H new ATOM 373 N SER A 53 3.103 5.250 1.698 1.00 0.00 N ATOM 374 CA SER A 53 4.175 5.853 0.910 1.00 0.00 C ATOM 375 C SER A 53 5.225 4.811 0.548 1.00 0.00 C ATOM 376 O SER A 53 6.375 5.144 0.268 1.00 0.00 O ATOM 377 CB SER A 53 4.832 6.976 1.710 1.00 0.00 C ATOM 378 OG SER A 53 5.636 6.407 2.734 1.00 0.00 O ATOM 0 H SER A 53 3.419 4.815 2.565 1.00 0.00 H new ATOM 0 HA SER A 53 3.746 6.255 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.442 7.598 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.071 7.623 2.145 1.00 0.00 H new ATOM 0 HG SER A 53 6.062 7.122 3.251 1.00 0.00 H new ATOM 384 N ASP A 54 4.814 3.551 0.536 1.00 0.00 N ATOM 385 CA ASP A 54 5.711 2.465 0.184 1.00 0.00 C ATOM 386 C ASP A 54 5.908 2.454 -1.329 1.00 0.00 C ATOM 387 O ASP A 54 5.190 3.144 -2.053 1.00 0.00 O ATOM 388 CB ASP A 54 5.129 1.131 0.654 1.00 0.00 C ATOM 389 CG ASP A 54 4.973 1.131 2.171 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.696 1.863 2.825 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.126 0.397 2.655 1.00 0.00 O ATOM 0 H ASP A 54 3.865 3.258 0.766 1.00 0.00 H new ATOM 0 HA ASP A 54 6.674 2.611 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.162 0.961 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.781 0.313 0.348 1.00 0.00 H new ATOM 396 N VAL A 55 6.860 1.667 -1.811 1.00 0.00 N ATOM 397 CA VAL A 55 7.098 1.595 -3.251 1.00 0.00 C ATOM 398 C VAL A 55 7.070 0.152 -3.733 1.00 0.00 C ATOM 399 O VAL A 55 7.421 -0.772 -2.997 1.00 0.00 O ATOM 400 CB VAL A 55 8.445 2.218 -3.603 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.423 3.716 -3.299 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.529 1.541 -2.772 1.00 0.00 C ATOM 0 H VAL A 55 7.470 1.080 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 55 6.303 2.151 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 55 8.648 2.079 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.389 4.153 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.641 4.195 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.223 3.869 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.498 1.977 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.320 1.687 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.545 0.474 -2.995 1.00 0.00 H new ATOM 412 N ILE A 56 6.641 -0.027 -4.975 1.00 0.00 N ATOM 413 CA ILE A 56 6.546 -1.354 -5.568 1.00 0.00 C ATOM 414 C ILE A 56 7.920 -1.962 -5.847 1.00 0.00 C ATOM 415 O ILE A 56 8.814 -1.298 -6.375 1.00 0.00 O ATOM 416 CB ILE A 56 5.755 -1.271 -6.873 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.366 -0.696 -6.579 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.629 -2.672 -7.482 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.553 -0.605 -7.872 1.00 0.00 C ATOM 0 H ILE A 56 6.353 0.732 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 56 6.038 -2.000 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 56 6.270 -0.623 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.847 -1.327 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.460 0.292 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.065 -2.615 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.623 -3.072 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.109 -3.327 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.567 -0.195 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.067 0.045 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.445 -1.600 -8.305 1.00 0.00 H new ATOM 431 N MET A 57 8.056 -3.246 -5.519 1.00 0.00 N ATOM 432 CA MET A 57 9.294 -3.973 -5.762 1.00 0.00 C ATOM 433 C MET A 57 8.954 -5.302 -6.444 1.00 0.00 C ATOM 434 O MET A 57 8.546 -6.267 -5.804 1.00 0.00 O ATOM 435 CB MET A 57 10.066 -4.190 -4.448 1.00 0.00 C ATOM 436 CG MET A 57 9.570 -5.439 -3.718 1.00 0.00 C ATOM 437 SD MET A 57 10.095 -5.365 -1.983 1.00 0.00 S ATOM 438 CE MET A 57 11.840 -4.971 -2.266 1.00 0.00 C ATOM 0 H MET A 57 7.320 -3.802 -5.083 1.00 0.00 H new ATOM 0 HA MET A 57 9.944 -3.393 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.131 -4.288 -4.660 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.948 -3.318 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.484 -5.503 -3.779 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.969 -6.335 -4.193 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.427 -5.274 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.195 -5.504 -3.148 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.950 -3.898 -2.422 1.00 0.00 H new ATOM 448 N VAL A 58 9.091 -5.310 -7.765 1.00 0.00 N ATOM 449 CA VAL A 58 8.769 -6.497 -8.557 1.00 0.00 C ATOM 450 C VAL A 58 9.711 -7.655 -8.227 1.00 0.00 C ATOM 451 O VAL A 58 10.931 -7.523 -8.317 1.00 0.00 O ATOM 452 CB VAL A 58 8.824 -6.158 -10.054 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.291 -7.332 -10.886 1.00 0.00 C ATOM 454 CG2 VAL A 58 7.955 -4.926 -10.311 1.00 0.00 C ATOM 0 H VAL A 58 9.421 -4.514 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 58 7.758 -6.816 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 58 9.857 -5.962 -10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.336 -7.078 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.900 -8.216 -10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.258 -7.537 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.985 -4.674 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.927 -5.138 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.333 -4.086 -9.728 1.00 0.00 H new ATOM 464 N GLU A 59 9.125 -8.795 -7.858 1.00 0.00 N ATOM 465 CA GLU A 59 9.906 -9.985 -7.531 1.00 0.00 C ATOM 466 C GLU A 59 9.893 -10.922 -8.734 1.00 0.00 C ATOM 467 O GLU A 59 10.937 -11.414 -9.162 1.00 0.00 O ATOM 468 CB GLU A 59 9.316 -10.695 -6.305 1.00 0.00 C ATOM 469 CG GLU A 59 9.400 -9.778 -5.078 1.00 0.00 C ATOM 470 CD GLU A 59 8.679 -10.415 -3.894 1.00 0.00 C ATOM 471 OE1 GLU A 59 7.467 -10.533 -3.960 1.00 0.00 O ATOM 472 OE2 GLU A 59 9.347 -10.780 -2.941 1.00 0.00 O ATOM 0 H GLU A 59 8.116 -8.918 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 59 10.930 -9.695 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.278 -10.967 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.858 -11.621 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.444 -9.595 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.954 -8.810 -5.307 1.00 0.00 H new ATOM 479 N ASN A 60 8.697 -11.153 -9.280 1.00 0.00 N ATOM 480 CA ASN A 60 8.550 -12.029 -10.442 1.00 0.00 C ATOM 481 C ASN A 60 7.337 -11.638 -11.279 1.00 0.00 C ATOM 482 O ASN A 60 6.339 -11.138 -10.762 1.00 0.00 O ATOM 483 CB ASN A 60 8.360 -13.470 -9.980 1.00 0.00 C ATOM 484 CG ASN A 60 9.469 -13.858 -9.021 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.645 -13.818 -9.380 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.162 -14.220 -7.808 1.00 0.00 N ATOM 0 H ASN A 60 7.824 -10.749 -8.939 1.00 0.00 H new ATOM 0 HA ASN A 60 9.452 -11.931 -11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.391 -13.579 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.361 -14.139 -10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.899 -14.472 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.185 -14.251 -7.517 1.00 0.00 H new ATOM 493 N ALA A 61 7.427 -11.901 -12.579 1.00 0.00 N ATOM 494 CA ALA A 61 6.331 -11.607 -13.494 1.00 0.00 C ATOM 495 C ALA A 61 6.569 -12.307 -14.819 1.00 0.00 C ATOM 496 O ALA A 61 7.699 -12.664 -15.154 1.00 0.00 O ATOM 497 CB ALA A 61 6.191 -10.103 -13.724 1.00 0.00 C ATOM 0 H ALA A 61 8.247 -12.317 -13.021 1.00 0.00 H new ATOM 0 HA ALA A 61 5.406 -11.971 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.366 -9.915 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.993 -9.607 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.115 -9.713 -14.152 1.00 0.00 H new ATOM 503 N ASN A 62 5.495 -12.536 -15.552 1.00 0.00 N ATOM 504 CA ASN A 62 5.600 -13.232 -16.820 1.00 0.00 C ATOM 505 C ASN A 62 4.503 -12.803 -17.779 1.00 0.00 C ATOM 506 O ASN A 62 3.357 -12.603 -17.379 1.00 0.00 O ATOM 507 CB ASN A 62 5.482 -14.732 -16.575 1.00 0.00 C ATOM 508 CG ASN A 62 5.711 -15.493 -17.867 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.834 -15.902 -18.161 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.704 -15.697 -18.667 1.00 0.00 N ATOM 0 H ASN A 62 4.549 -12.253 -15.294 1.00 0.00 H new ATOM 0 HA ASN A 62 6.564 -12.987 -17.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.210 -15.044 -15.827 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.495 -14.966 -16.176 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.843 -16.199 -19.544 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.776 -15.355 -18.417 1.00 0.00 H new ATOM 517 N TYR A 63 4.848 -12.697 -19.055 1.00 0.00 N ATOM 518 CA TYR A 63 3.873 -12.339 -20.066 1.00 0.00 C ATOM 519 C TYR A 63 3.664 -13.550 -20.966 1.00 0.00 C ATOM 520 O TYR A 63 4.602 -14.024 -21.612 1.00 0.00 O ATOM 521 CB TYR A 63 4.377 -11.132 -20.870 1.00 0.00 C ATOM 522 CG TYR A 63 3.408 -10.799 -21.973 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.147 -10.299 -21.647 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.770 -10.972 -23.316 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.239 -9.973 -22.656 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.861 -10.643 -24.331 1.00 0.00 C ATOM 527 CZ TYR A 63 1.595 -10.144 -23.997 1.00 0.00 C ATOM 528 OH TYR A 63 0.695 -9.818 -24.994 1.00 0.00 O ATOM 0 H TYR A 63 5.791 -12.854 -19.410 1.00 0.00 H new ATOM 0 HA TYR A 63 2.925 -12.058 -19.608 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.498 -10.272 -20.211 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.358 -11.351 -21.292 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.873 -10.164 -20.611 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.747 -11.358 -23.568 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.262 -9.589 -22.401 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.136 -10.774 -25.367 1.00 0.00 H new ATOM 0 HH TYR A 63 1.098 -9.995 -25.869 1.00 0.00 H new ATOM 538 N GLY A 64 2.445 -14.076 -20.972 1.00 0.00 N ATOM 539 CA GLY A 64 2.163 -15.266 -21.772 1.00 0.00 C ATOM 540 C GLY A 64 0.860 -15.931 -21.338 1.00 0.00 C ATOM 541 O GLY A 64 -0.129 -15.258 -21.054 1.00 0.00 O ATOM 0 H GLY A 64 1.652 -13.710 -20.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.101 -14.992 -22.825 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.985 -15.975 -21.675 1.00 0.00 H new ATOM 545 N ARG A 65 0.873 -17.266 -21.304 1.00 0.00 N ATOM 546 CA ARG A 65 -0.310 -18.032 -20.923 1.00 0.00 C ATOM 547 C ARG A 65 0.063 -19.375 -20.305 1.00 0.00 C ATOM 548 O ARG A 65 0.665 -20.230 -20.957 1.00 0.00 O ATOM 549 CB ARG A 65 -1.203 -18.273 -22.145 1.00 0.00 C ATOM 550 CG ARG A 65 -2.413 -19.124 -21.737 1.00 0.00 C ATOM 551 CD ARG A 65 -3.619 -18.770 -22.609 1.00 0.00 C ATOM 552 NE ARG A 65 -4.441 -17.753 -21.955 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.702 -17.996 -21.597 1.00 0.00 C ATOM 554 NH1 ARG A 65 -6.266 -19.139 -21.885 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.383 -17.077 -20.968 1.00 0.00 N ATOM 0 H ARG A 65 1.688 -17.834 -21.535 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.849 -17.446 -20.178 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.537 -17.321 -22.557 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.637 -18.778 -22.928 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.176 -20.183 -21.842 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.650 -18.954 -20.687 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.280 -18.404 -23.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.215 -19.663 -22.796 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.039 -16.834 -21.768 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.741 -19.854 -22.388 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.231 -19.316 -21.607 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.950 -16.179 -20.753 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.348 -17.257 -20.692 1.00 0.00 H new ATOM 569 N THR A 66 -0.311 -19.554 -19.041 1.00 0.00 N ATOM 570 CA THR A 66 -0.031 -20.796 -18.332 1.00 0.00 C ATOM 571 C THR A 66 -1.328 -21.395 -17.784 1.00 0.00 C ATOM 572 O THR A 66 -1.309 -22.406 -17.080 1.00 0.00 O ATOM 573 CB THR A 66 0.945 -20.533 -17.179 1.00 0.00 C ATOM 574 OG1 THR A 66 0.252 -19.916 -16.105 1.00 0.00 O ATOM 575 CG2 THR A 66 2.064 -19.607 -17.654 1.00 0.00 C ATOM 0 H THR A 66 -0.808 -18.855 -18.489 1.00 0.00 H new ATOM 0 HA THR A 66 0.420 -21.503 -19.029 1.00 0.00 H new ATOM 0 HB THR A 66 1.372 -21.479 -16.846 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.326 -19.206 -16.454 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.756 -19.422 -16.833 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.598 -20.076 -18.480 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.637 -18.662 -17.989 1.00 0.00 H new ATOM 583 N ASP A 67 -2.457 -20.765 -18.120 1.00 0.00 N ATOM 584 CA ASP A 67 -3.764 -21.241 -17.660 1.00 0.00 C ATOM 585 C ASP A 67 -4.858 -20.904 -18.676 1.00 0.00 C ATOM 586 O ASP A 67 -4.721 -19.966 -19.461 1.00 0.00 O ATOM 587 CB ASP A 67 -4.103 -20.609 -16.305 1.00 0.00 C ATOM 588 CG ASP A 67 -5.402 -21.196 -15.756 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.845 -22.200 -16.287 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.935 -20.629 -14.815 1.00 0.00 O ATOM 0 H ASP A 67 -2.493 -19.930 -18.705 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.714 -22.325 -17.554 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.290 -20.785 -15.600 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.202 -19.529 -16.414 1.00 0.00 H new ATOM 595 N ASP A 68 -5.958 -21.657 -18.627 1.00 0.00 N ATOM 596 CA ASP A 68 -7.092 -21.419 -19.517 1.00 0.00 C ATOM 597 C ASP A 68 -8.295 -20.940 -18.711 1.00 0.00 C ATOM 598 O ASP A 68 -9.394 -20.792 -19.247 1.00 0.00 O ATOM 599 CB ASP A 68 -7.458 -22.699 -20.275 1.00 0.00 C ATOM 600 CG ASP A 68 -7.780 -23.819 -19.293 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.075 -23.513 -18.150 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.718 -24.968 -19.699 1.00 0.00 O ATOM 0 H ASP A 68 -6.086 -22.436 -17.981 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.810 -20.652 -20.238 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.316 -22.515 -20.921 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.631 -22.997 -20.920 1.00 0.00 H new ATOM 607 N LYS A 69 -8.084 -20.717 -17.418 1.00 0.00 N ATOM 608 CA LYS A 69 -9.166 -20.269 -16.551 1.00 0.00 C ATOM 609 C LYS A 69 -9.031 -18.784 -16.204 1.00 0.00 C ATOM 610 O LYS A 69 -9.822 -18.258 -15.418 1.00 0.00 O ATOM 611 CB LYS A 69 -9.192 -21.092 -15.256 1.00 0.00 C ATOM 612 CG LYS A 69 -9.460 -22.567 -15.571 1.00 0.00 C ATOM 613 CD LYS A 69 -9.878 -23.282 -14.280 1.00 0.00 C ATOM 614 CE LYS A 69 -10.172 -24.759 -14.557 1.00 0.00 C ATOM 615 NZ LYS A 69 -9.570 -25.594 -13.475 1.00 0.00 N ATOM 0 H LYS A 69 -7.185 -20.838 -16.952 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.099 -20.414 -17.096 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.241 -20.991 -14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.964 -20.709 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.245 -22.656 -16.322 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.566 -23.032 -15.987 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.086 -23.196 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.762 -22.801 -13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.248 -24.925 -14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.763 -25.048 -15.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.768 -26.598 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.541 -25.443 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.981 -25.324 -12.559 1.00 0.00 H new ATOM 629 N ILE A 70 -8.034 -18.106 -16.775 1.00 0.00 N ATOM 630 CA ILE A 70 -7.823 -16.685 -16.496 1.00 0.00 C ATOM 631 C ILE A 70 -8.105 -15.844 -17.732 1.00 0.00 C ATOM 632 O ILE A 70 -7.704 -16.201 -18.840 1.00 0.00 O ATOM 633 CB ILE A 70 -6.375 -16.458 -16.071 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.041 -17.380 -14.899 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.179 -15.000 -15.652 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.760 -16.902 -13.633 1.00 0.00 C ATOM 0 H ILE A 70 -7.365 -18.514 -17.428 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.504 -16.388 -15.699 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.713 -16.679 -16.909 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.340 -18.402 -15.133 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.964 -17.394 -14.732 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.143 -14.844 -15.350 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.414 -14.345 -16.491 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.839 -14.770 -14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.516 -17.565 -12.803 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.439 -15.888 -13.393 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.837 -16.912 -13.800 1.00 0.00 H new ATOM 648 N CYS A 71 -8.806 -14.732 -17.539 1.00 0.00 N ATOM 649 CA CYS A 71 -9.148 -13.861 -18.656 1.00 0.00 C ATOM 650 C CYS A 71 -9.817 -14.679 -19.744 1.00 0.00 C ATOM 651 O CYS A 71 -9.203 -15.025 -20.752 1.00 0.00 O ATOM 652 CB CYS A 71 -7.897 -13.179 -19.210 1.00 0.00 C ATOM 653 SG CYS A 71 -7.349 -11.911 -18.042 1.00 0.00 S ATOM 0 H CYS A 71 -9.145 -14.415 -16.631 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.832 -13.088 -18.306 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.107 -13.913 -19.367 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.112 -12.730 -20.180 1.00 0.00 H new ATOM 658 N ASP A 72 -11.075 -15.010 -19.505 1.00 0.00 N ATOM 659 CA ASP A 72 -11.843 -15.815 -20.438 1.00 0.00 C ATOM 660 C ASP A 72 -11.852 -15.226 -21.842 1.00 0.00 C ATOM 661 O ASP A 72 -12.354 -14.125 -22.070 1.00 0.00 O ATOM 662 CB ASP A 72 -13.278 -15.947 -19.936 1.00 0.00 C ATOM 663 CG ASP A 72 -13.865 -14.567 -19.650 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.323 -13.595 -20.155 1.00 0.00 O ATOM 665 OD2 ASP A 72 -14.843 -14.499 -18.927 1.00 0.00 O ATOM 0 H ASP A 72 -11.588 -14.732 -18.668 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.365 -16.793 -20.495 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.886 -16.462 -20.680 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.300 -16.554 -19.031 1.00 0.00 H new ATOM 670 N ALA A 73 -11.330 -16.000 -22.779 1.00 0.00 N ATOM 671 CA ALA A 73 -11.308 -15.600 -24.175 1.00 0.00 C ATOM 672 C ALA A 73 -11.800 -16.766 -25.020 1.00 0.00 C ATOM 673 O ALA A 73 -12.385 -17.713 -24.495 1.00 0.00 O ATOM 674 CB ALA A 73 -9.896 -15.197 -24.608 1.00 0.00 C ATOM 0 H ALA A 73 -10.914 -16.913 -22.596 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.957 -14.735 -24.312 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.907 -14.902 -25.657 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.554 -14.360 -23.999 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.220 -16.042 -24.476 1.00 0.00 H new ATOM 680 N ASP A 74 -11.564 -16.707 -26.320 1.00 0.00 N ATOM 681 CA ASP A 74 -12.001 -17.786 -27.189 1.00 0.00 C ATOM 682 C ASP A 74 -11.229 -19.072 -26.871 1.00 0.00 C ATOM 683 O ASP A 74 -10.024 -19.042 -26.586 1.00 0.00 O ATOM 684 CB ASP A 74 -11.817 -17.399 -28.654 1.00 0.00 C ATOM 685 CG ASP A 74 -10.527 -16.610 -28.834 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.994 -16.145 -27.843 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.093 -16.480 -29.963 1.00 0.00 O ATOM 0 H ASP A 74 -11.082 -15.940 -26.789 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.061 -17.967 -27.012 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.793 -18.295 -29.274 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.666 -16.803 -28.989 1.00 0.00 H new ATOM 692 N PRO A 75 -11.898 -20.192 -26.891 1.00 0.00 N ATOM 693 CA PRO A 75 -11.268 -21.507 -26.567 1.00 0.00 C ATOM 694 C PRO A 75 -10.006 -21.802 -27.389 1.00 0.00 C ATOM 695 O PRO A 75 -9.045 -22.366 -26.865 1.00 0.00 O ATOM 696 CB PRO A 75 -12.369 -22.540 -26.846 1.00 0.00 C ATOM 697 CG PRO A 75 -13.455 -21.817 -27.570 1.00 0.00 C ATOM 698 CD PRO A 75 -13.317 -20.338 -27.230 1.00 0.00 C ATOM 0 HA PRO A 75 -10.918 -21.524 -25.535 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.984 -23.364 -27.447 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.742 -22.970 -25.916 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.371 -21.974 -28.645 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.433 -22.191 -27.269 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.595 -19.705 -28.073 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.959 -20.057 -26.395 1.00 0.00 H new ATOM 706 N PHE A 76 -10.010 -21.432 -28.667 1.00 0.00 N ATOM 707 CA PHE A 76 -8.850 -21.695 -29.525 1.00 0.00 C ATOM 708 C PHE A 76 -7.614 -20.959 -29.020 1.00 0.00 C ATOM 709 O PHE A 76 -6.500 -21.479 -29.088 1.00 0.00 O ATOM 710 CB PHE A 76 -9.155 -21.266 -30.967 1.00 0.00 C ATOM 711 CG PHE A 76 -10.237 -22.154 -31.539 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.903 -23.391 -32.110 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.575 -21.746 -31.491 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.910 -24.219 -32.628 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.580 -22.573 -32.010 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.247 -23.809 -32.575 1.00 0.00 C ATOM 0 H PHE A 76 -10.786 -20.958 -29.128 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.647 -22.766 -29.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.476 -20.224 -30.988 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.254 -21.334 -31.576 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.871 -23.706 -32.151 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.833 -20.793 -31.054 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.654 -25.172 -33.067 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.612 -22.256 -31.974 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.023 -24.448 -32.971 1.00 0.00 H new ATOM 726 N GLN A 77 -7.814 -19.753 -28.513 1.00 0.00 N ATOM 727 CA GLN A 77 -6.704 -18.962 -28.002 1.00 0.00 C ATOM 728 C GLN A 77 -6.422 -19.335 -26.551 1.00 0.00 C ATOM 729 O GLN A 77 -5.420 -18.912 -25.971 1.00 0.00 O ATOM 730 CB GLN A 77 -7.054 -17.479 -28.095 1.00 0.00 C ATOM 731 CG GLN A 77 -7.361 -17.119 -29.550 1.00 0.00 C ATOM 732 CD GLN A 77 -7.625 -15.622 -29.668 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.699 -14.897 -28.586 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.768 -15.100 -30.774 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.727 -19.302 -28.444 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.814 -19.164 -28.598 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.915 -17.257 -27.465 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.225 -16.875 -27.727 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.524 -17.401 -30.188 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.229 -17.679 -29.897 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.710 -15.670 -31.618 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.945 -14.098 -30.846 1.00 0.00 H new ATOM 743 N MET A 78 -7.323 -20.119 -25.967 1.00 0.00 N ATOM 744 CA MET A 78 -7.175 -20.537 -24.571 1.00 0.00 C ATOM 745 C MET A 78 -6.704 -21.990 -24.450 1.00 0.00 C ATOM 746 O MET A 78 -6.472 -22.476 -23.345 1.00 0.00 O ATOM 747 CB MET A 78 -8.501 -20.388 -23.829 1.00 0.00 C ATOM 748 CG MET A 78 -8.855 -18.910 -23.695 1.00 0.00 C ATOM 749 SD MET A 78 -10.294 -18.734 -22.610 1.00 0.00 S ATOM 750 CE MET A 78 -9.426 -18.862 -21.025 1.00 0.00 C ATOM 0 H MET A 78 -8.158 -20.477 -26.431 1.00 0.00 H new ATOM 0 HA MET A 78 -6.418 -19.891 -24.127 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.290 -20.913 -24.367 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.429 -20.845 -22.842 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.008 -18.357 -23.288 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.071 -18.486 -24.676 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.153 -18.902 -20.214 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.820 -19.768 -21.014 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.782 -17.993 -20.892 1.00 0.00 H new ATOM 760 N GLU A 79 -6.573 -22.680 -25.574 1.00 0.00 N ATOM 761 CA GLU A 79 -6.143 -24.078 -25.541 1.00 0.00 C ATOM 762 C GLU A 79 -4.726 -24.255 -25.015 1.00 0.00 C ATOM 763 O GLU A 79 -4.484 -25.124 -24.174 1.00 0.00 O ATOM 764 CB GLU A 79 -6.212 -24.687 -26.936 1.00 0.00 C ATOM 765 CG GLU A 79 -7.624 -25.178 -27.222 1.00 0.00 C ATOM 766 CD GLU A 79 -7.636 -25.912 -28.553 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.659 -25.799 -29.273 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.611 -26.586 -28.830 1.00 0.00 O ATOM 0 H GLU A 79 -6.753 -22.307 -26.506 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.825 -24.585 -24.858 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.918 -23.946 -27.680 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.507 -25.515 -27.015 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.960 -25.840 -26.424 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.316 -24.336 -27.251 1.00 0.00 H new ATOM 775 N ASN A 80 -3.782 -23.477 -25.520 1.00 0.00 N ATOM 776 CA ASN A 80 -2.396 -23.619 -25.098 1.00 0.00 C ATOM 777 C ASN A 80 -2.113 -22.901 -23.778 1.00 0.00 C ATOM 778 O ASN A 80 -2.215 -21.679 -23.675 1.00 0.00 O ATOM 779 CB ASN A 80 -1.488 -23.073 -26.201 1.00 0.00 C ATOM 780 CG ASN A 80 -0.051 -23.528 -25.982 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.244 -24.719 -26.066 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.865 -22.640 -25.711 1.00 0.00 N ATOM 0 H ASN A 80 -3.946 -22.748 -26.215 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.198 -24.677 -24.929 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.840 -23.416 -27.174 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.533 -21.984 -26.212 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.832 -22.932 -25.568 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.615 -21.654 -25.643 1.00 0.00 H new ATOM 789 N VAL A 81 -1.759 -23.700 -22.781 1.00 0.00 N ATOM 790 CA VAL A 81 -1.450 -23.199 -21.449 1.00 0.00 C ATOM 791 C VAL A 81 0.054 -23.263 -21.203 1.00 0.00 C ATOM 792 O VAL A 81 0.506 -23.554 -20.095 1.00 0.00 O ATOM 793 CB VAL A 81 -2.202 -24.025 -20.403 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.707 -23.910 -20.651 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.798 -25.494 -20.519 1.00 0.00 C ATOM 0 H VAL A 81 -1.678 -24.713 -22.873 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.767 -22.159 -21.371 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.956 -23.651 -19.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.244 -24.498 -19.907 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.009 -22.865 -20.576 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.941 -24.285 -21.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.335 -26.079 -19.773 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.045 -25.862 -21.515 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.725 -25.591 -20.352 1.00 0.00 H new ATOM 805 N GLN A 82 0.823 -22.993 -22.257 1.00 0.00 N ATOM 806 CA GLN A 82 2.277 -23.025 -22.166 1.00 0.00 C ATOM 807 C GLN A 82 2.905 -21.898 -22.982 1.00 0.00 C ATOM 808 O GLN A 82 3.275 -22.084 -24.143 1.00 0.00 O ATOM 809 CB GLN A 82 2.783 -24.374 -22.670 1.00 0.00 C ATOM 810 CG GLN A 82 2.324 -25.462 -21.703 1.00 0.00 C ATOM 811 CD GLN A 82 2.902 -25.199 -20.317 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.115 -25.052 -20.166 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.102 -25.121 -19.288 1.00 0.00 N ATOM 0 H GLN A 82 0.462 -22.751 -23.180 1.00 0.00 H new ATOM 0 HA GLN A 82 2.564 -22.886 -21.124 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.399 -24.572 -23.671 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.871 -24.367 -22.742 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.235 -25.483 -21.655 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.646 -26.440 -22.062 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.097 -25.243 -19.413 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.482 -24.938 -18.359 1.00 0.00 H new ATOM 822 N CYS A 83 3.040 -20.735 -22.355 1.00 0.00 N ATOM 823 CA CYS A 83 3.644 -19.577 -23.001 1.00 0.00 C ATOM 824 C CYS A 83 4.368 -18.749 -21.941 1.00 0.00 C ATOM 825 O CYS A 83 3.741 -18.269 -20.996 1.00 0.00 O ATOM 826 CB CYS A 83 2.569 -18.729 -23.690 1.00 0.00 C ATOM 827 SG CYS A 83 3.256 -17.124 -24.154 1.00 0.00 S ATOM 0 H CYS A 83 2.737 -20.569 -21.395 1.00 0.00 H new ATOM 0 HA CYS A 83 4.352 -19.909 -23.760 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.198 -19.245 -24.575 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.719 -18.591 -23.022 1.00 0.00 H new ATOM 832 N TYR A 84 5.681 -18.581 -22.086 1.00 0.00 N ATOM 833 CA TYR A 84 6.448 -17.809 -21.111 1.00 0.00 C ATOM 834 C TYR A 84 7.344 -16.791 -21.795 1.00 0.00 C ATOM 835 O TYR A 84 7.770 -16.983 -22.933 1.00 0.00 O ATOM 836 CB TYR A 84 7.321 -18.732 -20.255 1.00 0.00 C ATOM 837 CG TYR A 84 6.441 -19.634 -19.431 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.952 -20.825 -19.977 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.101 -19.271 -18.121 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.119 -21.654 -19.216 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.271 -20.101 -17.357 1.00 0.00 C ATOM 842 CZ TYR A 84 4.778 -21.292 -17.906 1.00 0.00 C ATOM 843 OH TYR A 84 3.948 -22.103 -17.159 1.00 0.00 O ATOM 0 H TYR A 84 6.229 -18.963 -22.857 1.00 0.00 H new ATOM 0 HA TYR A 84 5.729 -17.288 -20.479 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.974 -19.327 -20.893 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.965 -18.140 -19.604 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.217 -21.105 -20.986 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.479 -18.351 -17.700 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.739 -22.572 -19.639 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.011 -19.823 -16.346 1.00 0.00 H new ATOM 0 HH TYR A 84 3.814 -21.706 -16.273 1.00 0.00 H new ATOM 853 N LEU A 85 7.646 -15.718 -21.077 1.00 0.00 N ATOM 854 CA LEU A 85 8.522 -14.679 -21.597 1.00 0.00 C ATOM 855 C LEU A 85 9.322 -14.062 -20.453 1.00 0.00 C ATOM 856 O LEU A 85 8.898 -13.076 -19.851 1.00 0.00 O ATOM 857 CB LEU A 85 7.707 -13.591 -22.306 1.00 0.00 C ATOM 858 CG LEU A 85 8.664 -12.537 -22.879 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.270 -13.038 -24.189 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.897 -11.245 -23.152 1.00 0.00 C ATOM 0 H LEU A 85 7.298 -15.545 -20.134 1.00 0.00 H new ATOM 0 HA LEU A 85 9.205 -15.127 -22.319 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.110 -14.030 -23.105 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.012 -13.127 -21.607 1.00 0.00 H new ATOM 0 HG LEU A 85 9.459 -12.353 -22.156 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.948 -12.284 -24.588 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.821 -13.960 -24.006 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.474 -13.228 -24.909 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.577 -10.497 -23.559 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.100 -11.440 -23.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.465 -10.875 -22.222 1.00 0.00 H new ATOM 872 N PRO A 86 10.459 -14.626 -20.135 1.00 0.00 N ATOM 873 CA PRO A 86 11.318 -14.117 -19.028 1.00 0.00 C ATOM 874 C PRO A 86 11.521 -12.605 -19.097 1.00 0.00 C ATOM 875 O PRO A 86 11.401 -11.916 -18.083 1.00 0.00 O ATOM 876 CB PRO A 86 12.642 -14.865 -19.205 1.00 0.00 C ATOM 877 CG PRO A 86 12.315 -16.097 -19.986 1.00 0.00 C ATOM 878 CD PRO A 86 11.045 -15.803 -20.792 1.00 0.00 C ATOM 0 HA PRO A 86 10.863 -14.290 -18.053 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.371 -14.250 -19.733 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.079 -15.119 -18.239 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.139 -16.361 -20.649 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.159 -16.945 -19.319 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.276 -15.600 -21.838 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.359 -16.650 -20.776 1.00 0.00 H new ATOM 886 N ASP A 87 11.857 -12.093 -20.278 1.00 0.00 N ATOM 887 CA ASP A 87 12.101 -10.661 -20.438 1.00 0.00 C ATOM 888 C ASP A 87 10.932 -9.834 -19.901 1.00 0.00 C ATOM 889 O ASP A 87 11.110 -8.683 -19.511 1.00 0.00 O ATOM 890 CB ASP A 87 12.337 -10.337 -21.919 1.00 0.00 C ATOM 891 CG ASP A 87 13.701 -10.862 -22.353 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.504 -11.155 -21.484 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.926 -10.958 -23.549 1.00 0.00 O ATOM 0 H ASP A 87 11.966 -12.641 -21.131 1.00 0.00 H new ATOM 0 HA ASP A 87 12.989 -10.401 -19.862 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.553 -10.787 -22.528 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.285 -9.260 -22.078 1.00 0.00 H new ATOM 898 N ALA A 88 9.744 -10.423 -19.879 1.00 0.00 N ATOM 899 CA ALA A 88 8.568 -9.719 -19.379 1.00 0.00 C ATOM 900 C ALA A 88 8.800 -9.190 -17.962 1.00 0.00 C ATOM 901 O ALA A 88 8.328 -8.104 -17.603 1.00 0.00 O ATOM 902 CB ALA A 88 7.374 -10.670 -19.361 1.00 0.00 C ATOM 0 H ALA A 88 9.568 -11.376 -20.197 1.00 0.00 H new ATOM 0 HA ALA A 88 8.373 -8.875 -20.040 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.495 -10.144 -18.987 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.180 -11.029 -20.372 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.593 -11.517 -18.711 1.00 0.00 H new ATOM 908 N PHE A 89 9.529 -9.963 -17.162 1.00 0.00 N ATOM 909 CA PHE A 89 9.829 -9.579 -15.788 1.00 0.00 C ATOM 910 C PHE A 89 10.688 -8.328 -15.705 1.00 0.00 C ATOM 911 O PHE A 89 10.460 -7.464 -14.862 1.00 0.00 O ATOM 912 CB PHE A 89 10.556 -10.718 -15.081 1.00 0.00 C ATOM 913 CG PHE A 89 11.040 -10.224 -13.745 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.149 -10.090 -12.678 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.385 -9.874 -13.584 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.606 -9.610 -11.446 1.00 0.00 C ATOM 917 CE2 PHE A 89 12.842 -9.399 -12.352 1.00 0.00 C ATOM 918 CZ PHE A 89 11.952 -9.265 -11.283 1.00 0.00 C ATOM 0 H PHE A 89 9.923 -10.861 -17.443 1.00 0.00 H new ATOM 0 HA PHE A 89 8.876 -9.366 -15.304 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.888 -11.569 -14.950 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.396 -11.062 -15.684 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.110 -10.356 -12.804 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.071 -9.971 -14.413 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.919 -9.506 -10.619 1.00 0.00 H new ATOM 0 HE2 PHE A 89 13.882 -9.136 -12.226 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.303 -8.895 -10.331 1.00 0.00 H new ATOM 928 N LYS A 90 11.688 -8.245 -16.566 1.00 0.00 N ATOM 929 CA LYS A 90 12.576 -7.097 -16.530 1.00 0.00 C ATOM 930 C LYS A 90 11.805 -5.824 -16.888 1.00 0.00 C ATOM 931 O LYS A 90 12.023 -4.770 -16.291 1.00 0.00 O ATOM 932 CB LYS A 90 13.760 -7.285 -17.484 1.00 0.00 C ATOM 933 CG LYS A 90 13.434 -6.662 -18.835 1.00 0.00 C ATOM 934 CD LYS A 90 14.509 -7.039 -19.849 1.00 0.00 C ATOM 935 CE LYS A 90 14.508 -6.001 -20.966 1.00 0.00 C ATOM 936 NZ LYS A 90 13.132 -5.887 -21.524 1.00 0.00 N ATOM 0 H LYS A 90 11.902 -8.940 -17.281 1.00 0.00 H new ATOM 0 HA LYS A 90 12.969 -7.003 -15.518 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.654 -6.822 -17.065 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.977 -8.346 -17.605 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.459 -7.007 -19.179 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.374 -5.578 -18.741 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.486 -7.077 -19.368 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.315 -8.032 -20.255 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.840 -5.036 -20.583 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.209 -6.291 -21.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.184 -5.774 -22.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.593 -6.747 -21.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.656 -5.061 -21.109 1.00 0.00 H new ATOM 950 N ILE A 91 10.905 -5.927 -17.869 1.00 0.00 N ATOM 951 CA ILE A 91 10.120 -4.766 -18.288 1.00 0.00 C ATOM 952 C ILE A 91 9.288 -4.211 -17.133 1.00 0.00 C ATOM 953 O ILE A 91 9.263 -3.002 -16.906 1.00 0.00 O ATOM 954 CB ILE A 91 9.197 -5.134 -19.447 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.040 -5.622 -20.621 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.393 -3.901 -19.881 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.119 -6.150 -21.720 1.00 0.00 C ATOM 0 H ILE A 91 10.705 -6.787 -18.380 1.00 0.00 H new ATOM 0 HA ILE A 91 10.821 -3.997 -18.612 1.00 0.00 H new ATOM 0 HB ILE A 91 8.511 -5.919 -19.129 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.654 -4.808 -21.006 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.721 -6.407 -20.293 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.736 -4.168 -20.708 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.795 -3.543 -19.043 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.077 -3.115 -20.200 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.719 -6.499 -22.560 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.524 -6.976 -21.330 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.456 -5.352 -22.054 1.00 0.00 H new ATOM 969 N MET A 92 8.601 -5.092 -16.403 1.00 0.00 N ATOM 970 CA MET A 92 7.774 -4.642 -15.287 1.00 0.00 C ATOM 971 C MET A 92 8.636 -4.094 -14.157 1.00 0.00 C ATOM 972 O MET A 92 8.252 -3.141 -13.479 1.00 0.00 O ATOM 973 CB MET A 92 6.945 -5.803 -14.748 1.00 0.00 C ATOM 974 CG MET A 92 5.982 -6.301 -15.826 1.00 0.00 C ATOM 975 SD MET A 92 4.857 -4.968 -16.318 1.00 0.00 S ATOM 976 CE MET A 92 3.890 -4.867 -14.788 1.00 0.00 C ATOM 0 H MET A 92 8.601 -6.100 -16.561 1.00 0.00 H new ATOM 0 HA MET A 92 7.119 -3.852 -15.655 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.601 -6.614 -14.432 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.386 -5.484 -13.868 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.543 -6.652 -16.692 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.411 -7.150 -15.451 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.763 -3.822 -14.506 1.00 0.00 H new ATOM 0 HE2 MET A 92 2.912 -5.322 -14.945 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.413 -5.397 -13.992 1.00 0.00 H new ATOM 986 N SER A 93 9.795 -4.706 -13.953 1.00 0.00 N ATOM 987 CA SER A 93 10.692 -4.275 -12.896 1.00 0.00 C ATOM 988 C SER A 93 11.091 -2.822 -13.084 1.00 0.00 C ATOM 989 O SER A 93 11.048 -2.034 -12.150 1.00 0.00 O ATOM 990 CB SER A 93 11.950 -5.139 -12.903 1.00 0.00 C ATOM 991 OG SER A 93 11.605 -6.487 -12.616 1.00 0.00 O ATOM 0 H SER A 93 10.132 -5.497 -14.503 1.00 0.00 H new ATOM 0 HA SER A 93 10.171 -4.379 -11.944 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.440 -5.078 -13.875 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.661 -4.770 -12.164 1.00 0.00 H new ATOM 0 HG SER A 93 11.270 -6.919 -13.429 1.00 0.00 H new ATOM 997 N GLN A 94 11.447 -2.464 -14.304 1.00 0.00 N ATOM 998 CA GLN A 94 11.826 -1.091 -14.587 1.00 0.00 C ATOM 999 C GLN A 94 10.639 -0.155 -14.414 1.00 0.00 C ATOM 1000 O GLN A 94 10.774 0.961 -13.913 1.00 0.00 O ATOM 1001 CB GLN A 94 12.352 -0.978 -16.015 1.00 0.00 C ATOM 1002 CG GLN A 94 13.616 -1.820 -16.158 1.00 0.00 C ATOM 1003 CD GLN A 94 14.176 -1.680 -17.564 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.528 -1.102 -18.438 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.348 -2.171 -17.834 1.00 0.00 N ATOM 0 H GLN A 94 11.482 -3.094 -15.105 1.00 0.00 H new ATOM 0 HA GLN A 94 12.607 -0.804 -13.883 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.594 -1.317 -16.721 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.567 0.064 -16.254 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.360 -1.501 -15.428 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.392 -2.866 -15.949 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.881 -2.649 -17.107 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.736 -2.079 -18.773 1.00 0.00 H new ATOM 1014 N ARG A 95 9.484 -0.617 -14.868 1.00 0.00 N ATOM 1015 CA ARG A 95 8.262 0.178 -14.811 1.00 0.00 C ATOM 1016 C ARG A 95 7.716 0.354 -13.386 1.00 0.00 C ATOM 1017 O ARG A 95 7.123 1.386 -13.078 1.00 0.00 O ATOM 1018 CB ARG A 95 7.185 -0.487 -15.680 1.00 0.00 C ATOM 1019 CG ARG A 95 7.708 -0.670 -17.109 1.00 0.00 C ATOM 1020 CD ARG A 95 7.169 0.442 -18.020 1.00 0.00 C ATOM 1021 NE ARG A 95 7.820 1.708 -17.696 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.560 2.825 -18.378 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.710 2.819 -19.369 1.00 0.00 N ATOM 1024 NH2 ARG A 95 8.169 3.932 -18.051 1.00 0.00 N ATOM 0 H ARG A 95 9.365 -1.542 -15.282 1.00 0.00 H new ATOM 0 HA ARG A 95 8.514 1.171 -15.182 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.910 -1.453 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.283 0.125 -15.689 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.798 -0.654 -17.110 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.404 -1.644 -17.493 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.349 0.187 -19.065 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.090 0.535 -17.896 1.00 0.00 H new ATOM 0 HE ARG A 95 8.491 1.739 -16.928 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.236 1.954 -19.629 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.520 3.679 -19.883 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.837 3.938 -17.280 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.977 4.791 -18.566 1.00 0.00 H new ATOM 1038 N CYS A 96 7.850 -0.664 -12.541 1.00 0.00 N ATOM 1039 CA CYS A 96 7.281 -0.575 -11.197 1.00 0.00 C ATOM 1040 C CYS A 96 8.313 -0.528 -10.066 1.00 0.00 C ATOM 1041 O CYS A 96 7.959 -0.210 -8.930 1.00 0.00 O ATOM 1042 CB CYS A 96 6.360 -1.769 -10.991 1.00 0.00 C ATOM 1043 SG CYS A 96 5.205 -1.852 -12.381 1.00 0.00 S ATOM 0 H CYS A 96 8.333 -1.537 -12.752 1.00 0.00 H new ATOM 0 HA CYS A 96 6.748 0.374 -11.144 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.941 -2.689 -10.927 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.816 -1.670 -10.052 1.00 0.00 H new ATOM 1048 N ASN A 97 9.560 -0.863 -10.342 1.00 0.00 N ATOM 1049 CA ASN A 97 10.561 -0.856 -9.282 1.00 0.00 C ATOM 1050 C ASN A 97 10.762 0.537 -8.692 1.00 0.00 C ATOM 1051 O ASN A 97 10.949 1.513 -9.418 1.00 0.00 O ATOM 1052 CB ASN A 97 11.897 -1.379 -9.801 1.00 0.00 C ATOM 1053 CG ASN A 97 11.825 -2.886 -10.019 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.747 -3.478 -9.957 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.921 -3.550 -10.260 1.00 0.00 N ATOM 0 H ASN A 97 9.901 -1.137 -11.263 1.00 0.00 H new ATOM 0 HA ASN A 97 10.189 -1.511 -8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.152 -0.881 -10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.689 -1.145 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.886 -4.560 -10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.814 -3.059 -10.311 1.00 0.00 H new ATOM 1062 N ASN A 98 10.758 0.606 -7.362 1.00 0.00 N ATOM 1063 CA ASN A 98 10.979 1.862 -6.647 1.00 0.00 C ATOM 1064 C ASN A 98 9.889 2.901 -6.913 1.00 0.00 C ATOM 1065 O ASN A 98 10.047 4.069 -6.559 1.00 0.00 O ATOM 1066 CB ASN A 98 12.353 2.428 -7.012 1.00 0.00 C ATOM 1067 CG ASN A 98 13.437 1.563 -6.377 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.138 0.544 -5.753 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.691 1.978 -6.514 1.00 0.00 N ATOM 0 H ASN A 98 10.603 -0.199 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 98 10.939 1.637 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.475 2.448 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.440 3.457 -6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.453 1.446 -6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.892 2.829 -7.040 1.00 0.00 H new ATOM 1075 N ARG A 99 8.776 2.481 -7.506 1.00 0.00 N ATOM 1076 CA ARG A 99 7.678 3.409 -7.766 1.00 0.00 C ATOM 1077 C ARG A 99 6.461 3.041 -6.918 1.00 0.00 C ATOM 1078 O ARG A 99 6.213 1.867 -6.646 1.00 0.00 O ATOM 1079 CB ARG A 99 7.297 3.399 -9.251 1.00 0.00 C ATOM 1080 CG ARG A 99 8.379 4.116 -10.064 1.00 0.00 C ATOM 1081 CD ARG A 99 7.937 4.215 -11.528 1.00 0.00 C ATOM 1082 NE ARG A 99 6.776 5.090 -11.636 1.00 0.00 N ATOM 1083 CZ ARG A 99 6.095 5.208 -12.771 1.00 0.00 C ATOM 1084 NH1 ARG A 99 6.477 4.562 -13.840 1.00 0.00 N ATOM 1085 NH2 ARG A 99 5.046 5.980 -12.816 1.00 0.00 N ATOM 0 H ARG A 99 8.610 1.522 -7.811 1.00 0.00 H new ATOM 0 HA ARG A 99 8.011 4.412 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.185 2.373 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.335 3.891 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.554 5.112 -9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.322 3.573 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.753 4.602 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.694 3.224 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 99 6.479 5.625 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.302 3.963 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.950 4.656 -14.708 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.752 6.490 -11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.519 6.075 -13.684 1.00 0.00 H new ATOM 1099 N THR A 100 5.706 4.051 -6.501 1.00 0.00 N ATOM 1100 CA THR A 100 4.519 3.820 -5.682 1.00 0.00 C ATOM 1101 C THR A 100 3.435 3.152 -6.517 1.00 0.00 C ATOM 1102 O THR A 100 2.647 2.349 -6.018 1.00 0.00 O ATOM 1103 CB THR A 100 4.005 5.149 -5.124 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.059 5.797 -4.425 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.841 4.894 -4.162 1.00 0.00 C ATOM 0 H THR A 100 5.891 5.031 -6.714 1.00 0.00 H new ATOM 0 HA THR A 100 4.781 3.164 -4.852 1.00 0.00 H new ATOM 0 HB THR A 100 3.660 5.778 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.737 6.650 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.480 5.844 -3.768 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.033 4.391 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.180 4.266 -3.339 1.00 0.00 H new ATOM 1113 N GLN A 101 3.417 3.494 -7.789 1.00 0.00 N ATOM 1114 CA GLN A 101 2.442 2.928 -8.709 1.00 0.00 C ATOM 1115 C GLN A 101 3.004 2.884 -10.117 1.00 0.00 C ATOM 1116 O GLN A 101 3.927 3.624 -10.457 1.00 0.00 O ATOM 1117 CB GLN A 101 1.164 3.761 -8.702 1.00 0.00 C ATOM 1118 CG GLN A 101 1.450 5.136 -9.309 1.00 0.00 C ATOM 1119 CD GLN A 101 0.652 5.310 -10.595 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.555 4.819 -10.667 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.136 5.907 -11.556 1.00 0.00 N flip ATOM 0 H GLN A 101 4.064 4.160 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 101 2.215 1.913 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.384 3.255 -9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.794 3.871 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.186 5.919 -8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.515 5.238 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.080 6.289 -11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.593 6.019 -12.412 1.00 0.00 H new ATOM 1130 N CYS A 102 2.436 2.016 -10.934 1.00 0.00 N ATOM 1131 CA CYS A 102 2.880 1.888 -12.306 1.00 0.00 C ATOM 1132 C CYS A 102 1.771 1.297 -13.165 1.00 0.00 C ATOM 1133 O CYS A 102 1.082 0.365 -12.751 1.00 0.00 O ATOM 1134 CB CYS A 102 4.114 0.988 -12.363 1.00 0.00 C ATOM 1135 SG CYS A 102 3.659 -0.680 -11.822 1.00 0.00 S ATOM 0 H CYS A 102 1.671 1.394 -10.672 1.00 0.00 H new ATOM 0 HA CYS A 102 3.133 2.876 -12.691 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.511 0.959 -13.378 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.901 1.389 -11.724 1.00 0.00 H new ATOM 1140 N VAL A 103 1.619 1.823 -14.369 1.00 0.00 N ATOM 1141 CA VAL A 103 0.610 1.306 -15.277 1.00 0.00 C ATOM 1142 C VAL A 103 1.279 0.896 -16.578 1.00 0.00 C ATOM 1143 O VAL A 103 1.996 1.686 -17.191 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.466 2.359 -15.543 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.506 1.780 -16.505 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.152 2.740 -14.227 1.00 0.00 C ATOM 0 H VAL A 103 2.173 2.597 -14.736 1.00 0.00 H new ATOM 0 HA VAL A 103 0.128 0.440 -14.824 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.007 3.246 -15.981 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.277 2.526 -16.699 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.022 1.506 -17.442 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.961 0.895 -16.059 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.918 3.491 -14.420 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.613 1.855 -13.788 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.413 3.145 -13.536 1.00 0.00 H new ATOM 1156 N VAL A 104 1.075 -0.351 -16.982 1.00 0.00 N ATOM 1157 CA VAL A 104 1.706 -0.842 -18.201 1.00 0.00 C ATOM 1158 C VAL A 104 0.729 -1.621 -19.074 1.00 0.00 C ATOM 1159 O VAL A 104 -0.163 -2.300 -18.572 1.00 0.00 O ATOM 1160 CB VAL A 104 2.891 -1.735 -17.835 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.608 -2.164 -19.111 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.860 -0.955 -16.939 1.00 0.00 C ATOM 0 H VAL A 104 0.490 -1.030 -16.495 1.00 0.00 H new ATOM 0 HA VAL A 104 2.046 0.021 -18.773 1.00 0.00 H new ATOM 0 HB VAL A 104 2.536 -2.617 -17.301 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.455 -2.801 -18.856 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.917 -2.716 -19.748 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.965 -1.282 -19.642 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.706 -1.591 -16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.219 -0.074 -17.472 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.345 -0.644 -16.030 1.00 0.00 H new ATOM 1172 N VAL A 105 0.902 -1.521 -20.389 1.00 0.00 N ATOM 1173 CA VAL A 105 0.024 -2.233 -21.310 1.00 0.00 C ATOM 1174 C VAL A 105 0.413 -3.699 -21.380 1.00 0.00 C ATOM 1175 O VAL A 105 1.531 -4.030 -21.762 1.00 0.00 O ATOM 1176 CB VAL A 105 0.115 -1.630 -22.709 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.948 -2.267 -23.602 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.123 -0.122 -22.628 1.00 0.00 C ATOM 0 H VAL A 105 1.630 -0.963 -20.835 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.998 -2.142 -20.941 1.00 0.00 H new ATOM 0 HB VAL A 105 1.104 -1.819 -23.127 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.887 -1.839 -24.603 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.780 -3.343 -23.656 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.937 -2.074 -23.185 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.058 0.311 -23.626 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.113 0.068 -22.213 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.632 0.332 -21.986 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.504 -4.580 -20.996 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.212 -6.002 -21.018 1.00 0.00 C ATOM 1190 C ALA A 106 -0.137 -6.524 -22.447 1.00 0.00 C ATOM 1191 O ALA A 106 -0.563 -7.640 -22.728 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.273 -6.780 -20.240 1.00 0.00 C ATOM 0 H ALA A 106 -1.440 -4.337 -20.671 1.00 0.00 H new ATOM 0 HA ALA A 106 0.758 -6.148 -20.543 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.037 -7.844 -20.268 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.289 -6.439 -19.205 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.251 -6.613 -20.692 1.00 0.00 H new ATOM 1198 N GLY A 107 0.382 -5.709 -23.361 1.00 0.00 N ATOM 1199 CA GLY A 107 0.489 -6.126 -24.750 1.00 0.00 C ATOM 1200 C GLY A 107 1.125 -5.035 -25.604 1.00 0.00 C ATOM 1201 O GLY A 107 2.274 -4.659 -25.385 1.00 0.00 O ATOM 0 H GLY A 107 0.730 -4.770 -23.167 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.085 -7.036 -24.815 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.501 -6.365 -25.138 1.00 0.00 H new ATOM 1205 N SER A 108 0.356 -4.538 -26.572 1.00 0.00 N ATOM 1206 CA SER A 108 0.823 -3.489 -27.482 1.00 0.00 C ATOM 1207 C SER A 108 2.337 -3.537 -27.665 1.00 0.00 C ATOM 1208 O SER A 108 2.981 -4.546 -27.384 1.00 0.00 O ATOM 1209 CB SER A 108 0.404 -2.117 -26.949 1.00 0.00 C ATOM 1210 OG SER A 108 0.542 -1.149 -27.982 1.00 0.00 O ATOM 0 H SER A 108 -0.600 -4.847 -26.748 1.00 0.00 H new ATOM 0 HA SER A 108 0.365 -3.660 -28.456 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.628 -2.149 -26.601 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.021 -1.843 -26.093 1.00 0.00 H new ATOM 0 HG SER A 108 0.273 -0.269 -27.644 1.00 0.00 H new ATOM 1216 N ASP A 109 2.903 -2.444 -28.167 1.00 0.00 N ATOM 1217 CA ASP A 109 4.337 -2.381 -28.404 1.00 0.00 C ATOM 1218 C ASP A 109 5.097 -2.470 -27.087 1.00 0.00 C ATOM 1219 O ASP A 109 6.323 -2.389 -27.062 1.00 0.00 O ATOM 1220 CB ASP A 109 4.687 -1.067 -29.109 1.00 0.00 C ATOM 1221 CG ASP A 109 4.158 -1.087 -30.539 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.805 -2.158 -31.004 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.114 -0.031 -31.148 1.00 0.00 O ATOM 0 H ASP A 109 2.393 -1.596 -28.415 1.00 0.00 H new ATOM 0 HA ASP A 109 4.624 -3.222 -29.035 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.256 -0.227 -28.565 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.768 -0.924 -29.114 1.00 0.00 H new ATOM 1228 N ALA A 110 4.357 -2.626 -25.994 1.00 0.00 N ATOM 1229 CA ALA A 110 4.979 -2.709 -24.677 1.00 0.00 C ATOM 1230 C ALA A 110 5.410 -4.139 -24.353 1.00 0.00 C ATOM 1231 O ALA A 110 6.175 -4.360 -23.413 1.00 0.00 O ATOM 1232 CB ALA A 110 4.001 -2.232 -23.604 1.00 0.00 C ATOM 0 H ALA A 110 3.339 -2.697 -25.992 1.00 0.00 H new ATOM 0 HA ALA A 110 5.862 -2.071 -24.690 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.475 -2.298 -22.625 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.720 -1.198 -23.802 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.110 -2.860 -23.619 1.00 0.00 H new ATOM 1238 N PHE A 111 4.930 -5.107 -25.127 1.00 0.00 N ATOM 1239 CA PHE A 111 5.301 -6.499 -24.889 1.00 0.00 C ATOM 1240 C PHE A 111 5.399 -7.276 -26.204 1.00 0.00 C ATOM 1241 O PHE A 111 4.473 -7.244 -27.014 1.00 0.00 O ATOM 1242 CB PHE A 111 4.271 -7.191 -24.002 1.00 0.00 C ATOM 1243 CG PHE A 111 4.507 -6.824 -22.561 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.362 -7.604 -21.775 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.863 -5.716 -22.004 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.577 -7.276 -20.433 1.00 0.00 C ATOM 1247 CE2 PHE A 111 4.078 -5.385 -20.662 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.933 -6.167 -19.876 1.00 0.00 C ATOM 0 H PHE A 111 4.295 -4.959 -25.911 1.00 0.00 H new ATOM 0 HA PHE A 111 6.272 -6.490 -24.394 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.265 -6.897 -24.301 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.338 -8.272 -24.127 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.857 -8.462 -22.206 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.200 -5.116 -22.609 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.239 -7.878 -19.828 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.584 -4.526 -20.232 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.095 -5.913 -18.839 1.00 0.00 H new ATOM 1258 N PRO A 112 6.476 -7.989 -26.422 1.00 0.00 N ATOM 1259 CA PRO A 112 6.656 -8.802 -27.659 1.00 0.00 C ATOM 1260 C PRO A 112 5.466 -9.716 -27.920 1.00 0.00 C ATOM 1261 O PRO A 112 4.323 -9.383 -27.611 1.00 0.00 O ATOM 1262 CB PRO A 112 7.904 -9.638 -27.378 1.00 0.00 C ATOM 1263 CG PRO A 112 8.658 -8.899 -26.323 1.00 0.00 C ATOM 1264 CD PRO A 112 7.639 -8.097 -25.526 1.00 0.00 C ATOM 0 HA PRO A 112 6.746 -8.170 -28.543 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.636 -10.639 -27.039 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.506 -9.757 -28.279 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.195 -9.592 -25.675 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.402 -8.240 -26.771 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.378 -8.600 -24.595 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.028 -7.114 -25.259 1.00 0.00 H new ATOM 1272 N ASP A 113 5.759 -10.878 -28.486 1.00 0.00 N ATOM 1273 CA ASP A 113 4.732 -11.858 -28.794 1.00 0.00 C ATOM 1274 C ASP A 113 5.316 -13.257 -28.593 1.00 0.00 C ATOM 1275 O ASP A 113 5.829 -13.869 -29.532 1.00 0.00 O ATOM 1276 CB ASP A 113 4.272 -11.673 -30.243 1.00 0.00 C ATOM 1277 CG ASP A 113 2.886 -12.265 -30.437 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.467 -13.029 -29.586 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.261 -11.942 -31.434 1.00 0.00 O ATOM 0 H ASP A 113 6.704 -11.164 -28.741 1.00 0.00 H new ATOM 0 HA ASP A 113 3.872 -11.728 -28.137 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.260 -10.613 -30.495 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.978 -12.154 -30.920 1.00 0.00 H new ATOM 1284 N PRO A 114 5.293 -13.742 -27.375 1.00 0.00 N ATOM 1285 CA PRO A 114 5.878 -15.069 -27.007 1.00 0.00 C ATOM 1286 C PRO A 114 4.985 -16.248 -27.368 1.00 0.00 C ATOM 1287 O PRO A 114 5.374 -17.403 -27.207 1.00 0.00 O ATOM 1288 CB PRO A 114 6.036 -14.957 -25.494 1.00 0.00 C ATOM 1289 CG PRO A 114 4.918 -14.073 -25.063 1.00 0.00 C ATOM 1290 CD PRO A 114 4.689 -13.080 -26.204 1.00 0.00 C ATOM 0 HA PRO A 114 6.804 -15.266 -27.546 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.975 -15.935 -25.016 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.003 -14.531 -25.227 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.017 -14.654 -24.867 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.169 -13.552 -24.139 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.628 -12.886 -26.358 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.162 -12.120 -25.999 1.00 0.00 H new ATOM 1298 N CYS A 115 3.791 -15.953 -27.854 1.00 0.00 N ATOM 1299 CA CYS A 115 2.862 -17.008 -28.231 1.00 0.00 C ATOM 1300 C CYS A 115 1.701 -16.451 -29.053 1.00 0.00 C ATOM 1301 O CYS A 115 0.533 -16.562 -28.666 1.00 0.00 O ATOM 1302 CB CYS A 115 2.334 -17.713 -26.976 1.00 0.00 C ATOM 1303 SG CYS A 115 2.061 -16.501 -25.660 1.00 0.00 S ATOM 0 H CYS A 115 3.444 -15.004 -27.996 1.00 0.00 H new ATOM 0 HA CYS A 115 3.396 -17.730 -28.849 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.403 -18.232 -27.204 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.047 -18.468 -26.645 1.00 0.00 H new ATOM 1308 N PRO A 116 1.997 -15.871 -30.187 1.00 0.00 N ATOM 1309 CA PRO A 116 0.959 -15.306 -31.083 1.00 0.00 C ATOM 1310 C PRO A 116 -0.135 -16.319 -31.365 1.00 0.00 C ATOM 1311 O PRO A 116 0.124 -17.521 -31.436 1.00 0.00 O ATOM 1312 CB PRO A 116 1.706 -14.957 -32.377 1.00 0.00 C ATOM 1313 CG PRO A 116 3.086 -15.516 -32.233 1.00 0.00 C ATOM 1314 CD PRO A 116 3.343 -15.683 -30.739 1.00 0.00 C ATOM 0 HA PRO A 116 0.469 -14.442 -30.635 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.202 -15.385 -33.244 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.738 -13.878 -32.528 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.171 -16.473 -32.749 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.822 -14.847 -32.679 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.986 -16.539 -30.534 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.834 -14.807 -30.314 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.351 -15.834 -31.542 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.463 -16.719 -31.838 1.00 0.00 C ATOM 1324 C GLY A 117 -3.144 -17.210 -30.568 1.00 0.00 C ATOM 1325 O GLY A 117 -4.227 -17.790 -30.633 1.00 0.00 O ATOM 0 H GLY A 117 -1.592 -14.844 -31.487 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.188 -16.196 -32.461 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.105 -17.573 -32.413 1.00 0.00 H new ATOM 1329 N THR A 118 -2.526 -16.977 -29.409 1.00 0.00 N ATOM 1330 CA THR A 118 -3.121 -17.405 -28.151 1.00 0.00 C ATOM 1331 C THR A 118 -3.476 -16.187 -27.303 1.00 0.00 C ATOM 1332 O THR A 118 -2.808 -15.157 -27.382 1.00 0.00 O ATOM 1333 CB THR A 118 -2.138 -18.317 -27.398 1.00 0.00 C ATOM 1334 OG1 THR A 118 -2.382 -19.665 -27.769 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.314 -18.164 -25.885 1.00 0.00 C ATOM 0 H THR A 118 -1.628 -16.502 -29.319 1.00 0.00 H new ATOM 0 HA THR A 118 -4.034 -17.964 -28.354 1.00 0.00 H new ATOM 0 HB THR A 118 -1.118 -18.034 -27.659 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.592 -20.208 -27.565 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.610 -18.817 -25.369 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.125 -17.129 -25.600 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.332 -18.437 -25.608 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.513 -16.305 -26.470 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.893 -15.195 -25.618 1.00 0.00 C ATOM 1345 C TYR A 119 -3.993 -15.206 -24.387 1.00 0.00 C ATOM 1346 O TYR A 119 -4.034 -16.134 -23.584 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.358 -15.301 -25.194 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.776 -13.968 -24.632 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.496 -13.654 -23.298 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.411 -13.031 -25.452 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.860 -12.406 -22.782 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.772 -11.780 -24.939 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.495 -11.469 -23.604 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.845 -10.235 -23.097 1.00 0.00 O ATOM 0 H TYR A 119 -5.088 -17.142 -26.373 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.776 -14.262 -26.169 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.983 -15.569 -26.046 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.483 -16.086 -24.448 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.999 -14.375 -22.666 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.623 -13.273 -26.483 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.651 -12.166 -21.750 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -8.263 -11.056 -25.573 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.153 -9.580 -23.324 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.135 -14.199 -24.285 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.172 -14.133 -23.192 1.00 0.00 C ATOM 1366 C LYS A 120 -2.689 -13.379 -21.968 1.00 0.00 C ATOM 1367 O LYS A 120 -3.874 -13.061 -21.829 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.897 -13.443 -23.696 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.431 -14.155 -24.960 1.00 0.00 C ATOM 1370 CD LYS A 120 0.875 -13.551 -25.473 1.00 0.00 C ATOM 1371 CE LYS A 120 1.105 -14.042 -26.905 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.915 -12.910 -27.847 1.00 0.00 N ATOM 0 H LYS A 120 -3.086 -13.420 -24.942 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.980 -15.158 -22.876 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.092 -12.391 -23.904 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.120 -13.478 -22.933 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.290 -15.216 -24.754 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.199 -14.079 -25.730 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.825 -12.462 -25.449 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.706 -13.846 -24.833 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.111 -14.449 -27.005 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.410 -14.848 -27.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.519 -13.048 -28.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.081 -12.869 -28.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.173 -12.019 -27.376 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.725 -13.034 -21.141 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.962 -12.243 -19.950 1.00 0.00 C ATOM 1388 C TYR A 121 -0.658 -11.872 -19.284 1.00 0.00 C ATOM 1389 O TYR A 121 0.418 -12.300 -19.705 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.883 -12.954 -18.961 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.230 -14.201 -18.426 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.168 -14.109 -17.517 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.698 -15.451 -18.833 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.572 -15.272 -17.022 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.108 -16.613 -18.335 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.044 -16.526 -17.430 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.457 -17.678 -16.942 1.00 0.00 O ATOM 0 H TYR A 121 -0.748 -13.296 -21.276 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.467 -11.331 -20.268 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.127 -12.283 -18.137 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.822 -13.211 -19.451 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.810 -13.141 -17.199 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.517 -15.519 -19.534 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.251 -15.204 -16.326 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.473 -17.580 -18.648 1.00 0.00 H new ATOM 0 HH TYR A 121 0.269 -17.440 -16.328 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.764 -11.076 -18.235 1.00 0.00 N ATOM 1408 CA LEU A 122 0.405 -10.646 -17.505 1.00 0.00 C ATOM 1409 C LEU A 122 0.187 -10.810 -16.011 1.00 0.00 C ATOM 1410 O LEU A 122 -0.793 -10.316 -15.462 1.00 0.00 O ATOM 1411 CB LEU A 122 0.683 -9.181 -17.813 1.00 0.00 C ATOM 1412 CG LEU A 122 1.908 -8.732 -17.023 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.123 -9.515 -17.513 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.138 -7.233 -17.233 1.00 0.00 C ATOM 0 H LEU A 122 -1.648 -10.717 -17.874 1.00 0.00 H new ATOM 0 HA LEU A 122 1.254 -11.259 -17.809 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.854 -9.047 -18.881 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.180 -8.570 -17.549 1.00 0.00 H new ATOM 0 HG LEU A 122 1.752 -8.919 -15.960 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.006 -9.203 -16.955 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.955 -10.581 -17.359 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.277 -9.321 -18.575 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.014 -6.916 -16.667 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.300 -7.035 -18.293 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.264 -6.679 -16.889 1.00 0.00 H new ATOM 1426 N GLU A 123 1.113 -11.504 -15.364 1.00 0.00 N ATOM 1427 CA GLU A 123 1.029 -11.733 -13.930 1.00 0.00 C ATOM 1428 C GLU A 123 2.267 -11.170 -13.250 1.00 0.00 C ATOM 1429 O GLU A 123 3.388 -11.449 -13.669 1.00 0.00 O ATOM 1430 CB GLU A 123 0.940 -13.234 -13.663 1.00 0.00 C ATOM 1431 CG GLU A 123 0.729 -13.485 -12.173 1.00 0.00 C ATOM 1432 CD GLU A 123 0.703 -14.985 -11.903 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.580 -15.735 -12.858 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.801 -15.364 -10.747 1.00 0.00 O ATOM 0 H GLU A 123 1.931 -11.918 -15.811 1.00 0.00 H new ATOM 0 HA GLU A 123 0.143 -11.237 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.117 -13.665 -14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.853 -13.726 -13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.528 -13.016 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.207 -13.031 -11.847 1.00 0.00 H new ATOM 1441 N VAL A 124 2.061 -10.358 -12.223 1.00 0.00 N ATOM 1442 CA VAL A 124 3.195 -9.755 -11.527 1.00 0.00 C ATOM 1443 C VAL A 124 3.075 -9.872 -10.013 1.00 0.00 C ATOM 1444 O VAL A 124 2.103 -9.405 -9.418 1.00 0.00 O ATOM 1445 CB VAL A 124 3.290 -8.268 -11.880 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.533 -7.665 -11.221 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.386 -8.096 -13.397 1.00 0.00 C ATOM 0 H VAL A 124 1.143 -10.104 -11.858 1.00 0.00 H new ATOM 0 HA VAL A 124 4.085 -10.295 -11.849 1.00 0.00 H new ATOM 0 HB VAL A 124 2.398 -7.758 -11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.601 -6.607 -11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.462 -7.777 -10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.423 -8.181 -11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.453 -7.035 -13.639 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.274 -8.610 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.499 -8.520 -13.868 1.00 0.00 H new ATOM 1457 N GLN A 125 4.086 -10.471 -9.392 1.00 0.00 N ATOM 1458 CA GLN A 125 4.102 -10.603 -7.943 1.00 0.00 C ATOM 1459 C GLN A 125 5.106 -9.602 -7.390 1.00 0.00 C ATOM 1460 O GLN A 125 6.248 -9.543 -7.849 1.00 0.00 O ATOM 1461 CB GLN A 125 4.497 -12.025 -7.541 1.00 0.00 C ATOM 1462 CG GLN A 125 3.363 -12.991 -7.889 1.00 0.00 C ATOM 1463 CD GLN A 125 3.851 -14.024 -8.896 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.227 -14.146 -10.035 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.822 -14.734 -8.642 1.00 0.00 N flip ATOM 0 H GLN A 125 4.897 -10.869 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 125 3.109 -10.405 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.410 -12.319 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.708 -12.066 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.009 -13.489 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.518 -12.440 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.307 -14.635 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.143 -15.422 -9.323 1.00 0.00 H new ATOM 1474 N TYR A 126 4.673 -8.792 -6.438 1.00 0.00 N ATOM 1475 CA TYR A 126 5.555 -7.774 -5.885 1.00 0.00 C ATOM 1476 C TYR A 126 5.179 -7.414 -4.447 1.00 0.00 C ATOM 1477 O TYR A 126 4.113 -7.781 -3.956 1.00 0.00 O ATOM 1478 CB TYR A 126 5.471 -6.532 -6.770 1.00 0.00 C ATOM 1479 CG TYR A 126 4.116 -5.890 -6.591 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.030 -6.326 -7.363 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.941 -4.865 -5.654 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.771 -5.738 -7.193 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.685 -4.275 -5.486 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.599 -4.713 -6.257 1.00 0.00 C ATOM 1485 OH TYR A 126 0.357 -4.133 -6.089 1.00 0.00 O ATOM 0 H TYR A 126 3.735 -8.816 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 126 6.572 -8.166 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.259 -5.827 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.624 -6.803 -7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.165 -7.115 -8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.778 -4.529 -5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 126 0.933 -6.076 -7.784 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.551 -3.483 -4.764 1.00 0.00 H new ATOM 0 HH TYR A 126 0.411 -3.439 -5.399 1.00 0.00 H new ATOM 1495 N ASP A 127 6.072 -6.683 -3.781 1.00 0.00 N ATOM 1496 CA ASP A 127 5.839 -6.271 -2.406 1.00 0.00 C ATOM 1497 C ASP A 127 6.046 -4.762 -2.265 1.00 0.00 C ATOM 1498 O ASP A 127 6.660 -4.126 -3.122 1.00 0.00 O ATOM 1499 CB ASP A 127 6.796 -7.015 -1.469 1.00 0.00 C ATOM 1500 CG ASP A 127 6.615 -8.522 -1.627 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.735 -8.918 -2.373 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.358 -9.257 -0.999 1.00 0.00 O ATOM 0 H ASP A 127 6.959 -6.367 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 127 4.811 -6.514 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.826 -6.739 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.606 -6.724 -0.436 1.00 0.00 H new ATOM 1507 N CYS A 128 5.518 -4.193 -1.183 1.00 0.00 N ATOM 1508 CA CYS A 128 5.646 -2.758 -0.947 1.00 0.00 C ATOM 1509 C CYS A 128 6.563 -2.488 0.240 1.00 0.00 C ATOM 1510 O CYS A 128 6.258 -2.869 1.370 1.00 0.00 O ATOM 1511 CB CYS A 128 4.264 -2.158 -0.684 1.00 0.00 C ATOM 1512 SG CYS A 128 3.229 -2.391 -2.147 1.00 0.00 S ATOM 0 H CYS A 128 5.002 -4.699 -0.463 1.00 0.00 H new ATOM 0 HA CYS A 128 6.083 -2.295 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.805 -2.636 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.353 -1.097 -0.452 1.00 0.00 H new ATOM 1517 N VAL A 129 7.687 -1.827 -0.024 1.00 0.00 N ATOM 1518 CA VAL A 129 8.636 -1.517 1.039 1.00 0.00 C ATOM 1519 C VAL A 129 8.761 -0.014 1.237 1.00 0.00 C ATOM 1520 O VAL A 129 8.460 0.762 0.329 1.00 0.00 O ATOM 1521 CB VAL A 129 10.016 -2.072 0.696 1.00 0.00 C ATOM 1522 CG1 VAL A 129 10.018 -3.587 0.868 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.365 -1.713 -0.750 1.00 0.00 C ATOM 0 H VAL A 129 7.960 -1.500 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 129 8.263 -1.975 1.955 1.00 0.00 H new ATOM 0 HB VAL A 129 10.759 -1.637 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 129 11.005 -3.980 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.775 -3.836 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.276 -4.030 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.350 -2.109 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.623 -2.145 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.371 -0.629 -0.865 1.00 0.00 H new ATOM 1533 N PRO A 130 9.223 0.416 2.386 1.00 0.00 N ATOM 1534 CA PRO A 130 9.411 1.861 2.661 1.00 0.00 C ATOM 1535 C PRO A 130 10.416 2.481 1.704 1.00 0.00 C ATOM 1536 O PRO A 130 11.417 1.858 1.342 1.00 0.00 O ATOM 1537 CB PRO A 130 9.934 1.927 4.096 1.00 0.00 C ATOM 1538 CG PRO A 130 9.694 0.579 4.691 1.00 0.00 C ATOM 1539 CD PRO A 130 9.610 -0.414 3.538 1.00 0.00 C ATOM 0 HA PRO A 130 8.482 2.416 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.995 2.176 4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.416 2.700 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.501 0.310 5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.772 0.573 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.565 -0.912 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.874 -1.194 3.734 1.00 0.00 H new