USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 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 82 GLN : amide:sc= -0.974 K(o=-1.1,f=-3.4!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= -0.149 USER MOD Set 2.1: A 66 THR OG1 : rot -67:sc= 1.13 USER MOD Set 2.2: A 121 TYR OH : rot 30:sc= 1.01 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 -158:sc= -0.175 (180deg=-1.55) USER MOD Single : A 60 ASN : amide:sc= -1.28 K(o=-1.3,f=-2) USER MOD Single : A 62 ASN : amide:sc= -1.16! C(o=-1.2!,f=-4.6!) USER MOD Single : A 63 TYR OH : rot -166:sc= -2.64 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -4.07! C(o=-7!,f=-4.1!) USER MOD Single : A 78 MET CE :methyl 163:sc= -4.64 (180deg=-6.29!) USER MOD Single : A 80 ASN : amide:sc= 0.0132 X(o=0.013,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -5.09! (180deg=-6.89!) USER MOD Single : A 92 MET CE :methyl 177:sc= -0.463 (180deg=-0.492) USER MOD Single : A 93 SER OG : rot 100:sc= 1.04 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 97 ASN : amide:sc= -5.35! C(o=-5.4!,f=-13!) USER MOD Single : A 98 ASN : amide:sc= -0.0631 K(o=-0.063,f=-2.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.2) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0904! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 102:sc= -0.451! USER MOD Single : A 120 LYS NZ :NH3+ -101:sc= 0.98 (180deg=-1.27!) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.878 F(o=-2.4!,f=-0.88) USER MOD Single : A 126 TYR OH : rot 30:sc=-0.00494 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.772 -8.728 -3.015 1.00 0.00 N ATOM 107 CA ARG A 36 0.743 -8.228 -3.902 1.00 0.00 C ATOM 108 C ARG A 36 0.833 -8.911 -5.255 1.00 0.00 C ATOM 109 O ARG A 36 1.917 -9.277 -5.713 1.00 0.00 O ATOM 110 CB ARG A 36 0.891 -6.718 -4.055 1.00 0.00 C ATOM 111 CG ARG A 36 0.537 -6.073 -2.718 1.00 0.00 C ATOM 112 CD ARG A 36 0.859 -4.584 -2.750 1.00 0.00 C ATOM 113 NE ARG A 36 0.370 -3.943 -1.535 1.00 0.00 N ATOM 114 CZ ARG A 36 -0.932 -3.758 -1.329 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.797 -4.140 -2.228 1.00 0.00 N ATOM 116 NH2 ARG A 36 -1.344 -3.197 -0.227 1.00 0.00 N ATOM 0 HA ARG A 36 -0.235 -8.448 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.910 -6.462 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.234 -6.348 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.522 -6.219 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.093 -6.556 -1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.935 -4.438 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.400 -4.123 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 36 1.038 -3.631 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.476 -4.581 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.794 -3.998 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.669 -2.900 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.342 -3.055 -0.069 1.00 0.00 H new ATOM 130 N ARG A 37 -0.311 -9.081 -5.893 1.00 0.00 N ATOM 131 CA ARG A 37 -0.345 -9.722 -7.189 1.00 0.00 C ATOM 132 C ARG A 37 -1.423 -9.114 -8.059 1.00 0.00 C ATOM 133 O ARG A 37 -2.578 -8.996 -7.653 1.00 0.00 O ATOM 134 CB ARG A 37 -0.614 -11.215 -7.032 1.00 0.00 C ATOM 135 CG ARG A 37 -0.686 -11.862 -8.414 1.00 0.00 C ATOM 136 CD ARG A 37 -1.195 -13.292 -8.289 1.00 0.00 C ATOM 137 NE ARG A 37 -1.266 -13.895 -9.610 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.091 -14.898 -9.862 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.882 -15.339 -8.925 1.00 0.00 N ATOM 140 NH2 ARG A 37 -2.119 -15.432 -11.052 1.00 0.00 N ATOM 0 H ARG A 37 -1.220 -8.786 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 37 0.625 -9.572 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.176 -11.679 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.549 -11.373 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.348 -11.286 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.299 -11.857 -8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.531 -13.872 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.179 -13.300 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.669 -13.538 -10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.864 -14.911 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.519 -16.112 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.506 -15.076 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.754 -16.205 -11.249 1.00 0.00 H new ATOM 154 N GLU A 38 -1.032 -8.760 -9.267 1.00 0.00 N ATOM 155 CA GLU A 38 -1.966 -8.187 -10.220 1.00 0.00 C ATOM 156 C GLU A 38 -1.896 -8.952 -11.526 1.00 0.00 C ATOM 157 O GLU A 38 -0.825 -9.385 -11.952 1.00 0.00 O ATOM 158 CB GLU A 38 -1.652 -6.711 -10.466 1.00 0.00 C ATOM 159 CG GLU A 38 -1.796 -5.936 -9.158 1.00 0.00 C ATOM 160 CD GLU A 38 -3.160 -6.205 -8.530 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.094 -6.463 -9.271 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.250 -6.145 -7.315 1.00 0.00 O ATOM 0 H GLU A 38 -0.077 -8.858 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.972 -8.261 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.640 -6.603 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.328 -6.305 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.006 -6.227 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.678 -4.869 -9.345 1.00 0.00 H new ATOM 169 N LEU A 39 -3.042 -9.116 -12.159 1.00 0.00 N ATOM 170 CA LEU A 39 -3.098 -9.834 -13.417 1.00 0.00 C ATOM 171 C LEU A 39 -4.028 -9.113 -14.381 1.00 0.00 C ATOM 172 O LEU A 39 -5.119 -8.692 -13.997 1.00 0.00 O ATOM 173 CB LEU A 39 -3.598 -11.258 -13.170 1.00 0.00 C ATOM 174 CG LEU A 39 -3.235 -12.157 -14.352 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.218 -13.608 -13.880 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.283 -12.017 -15.461 1.00 0.00 C ATOM 0 H LEU A 39 -3.940 -8.765 -11.826 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.101 -9.876 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.157 -11.653 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.678 -11.252 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.258 -11.866 -14.737 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.960 -14.259 -14.715 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.479 -13.724 -13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.203 -13.878 -13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.015 -12.661 -16.298 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.260 -12.309 -15.077 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.320 -10.981 -15.798 1.00 0.00 H new ATOM 188 N ALA A 40 -3.605 -8.965 -15.628 1.00 0.00 N ATOM 189 CA ALA A 40 -4.437 -8.279 -16.606 1.00 0.00 C ATOM 190 C ALA A 40 -4.528 -9.068 -17.909 1.00 0.00 C ATOM 191 O ALA A 40 -3.539 -9.625 -18.390 1.00 0.00 O ATOM 192 CB ALA A 40 -3.852 -6.896 -16.896 1.00 0.00 C ATOM 0 H ALA A 40 -2.710 -9.303 -15.982 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.440 -8.185 -16.189 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.476 -6.383 -17.628 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.821 -6.314 -15.975 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.842 -7.004 -17.292 1.00 0.00 H new ATOM 198 N CYS A 41 -5.734 -9.121 -18.475 1.00 0.00 N ATOM 199 CA CYS A 41 -5.951 -9.848 -19.718 1.00 0.00 C ATOM 200 C CYS A 41 -5.178 -9.179 -20.848 1.00 0.00 C ATOM 201 O CYS A 41 -5.140 -7.953 -20.943 1.00 0.00 O ATOM 202 CB CYS A 41 -7.444 -9.867 -20.049 1.00 0.00 C ATOM 203 SG CYS A 41 -8.368 -10.309 -18.561 1.00 0.00 S ATOM 0 H CYS A 41 -6.567 -8.672 -18.094 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.597 -10.872 -19.602 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.762 -8.890 -20.414 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.645 -10.585 -20.844 1.00 0.00 H new ATOM 208 N GLU A 42 -4.527 -9.985 -21.683 1.00 0.00 N ATOM 209 CA GLU A 42 -3.726 -9.436 -22.771 1.00 0.00 C ATOM 210 C GLU A 42 -4.453 -8.334 -23.525 1.00 0.00 C ATOM 211 O GLU A 42 -5.606 -8.488 -23.927 1.00 0.00 O ATOM 212 CB GLU A 42 -3.341 -10.521 -23.770 1.00 0.00 C ATOM 213 CG GLU A 42 -2.318 -9.940 -24.748 1.00 0.00 C ATOM 214 CD GLU A 42 -1.983 -10.950 -25.840 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.575 -12.015 -25.838 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.127 -10.645 -26.656 1.00 0.00 O ATOM 0 H GLU A 42 -4.538 -11.004 -21.629 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.834 -9.018 -22.305 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.921 -11.382 -23.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.222 -10.871 -24.307 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.713 -9.029 -25.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.411 -9.663 -24.211 1.00 0.00 H new ATOM 223 N GLY A 43 -3.743 -7.238 -23.743 1.00 0.00 N ATOM 224 CA GLY A 43 -4.286 -6.115 -24.487 1.00 0.00 C ATOM 225 C GLY A 43 -4.857 -5.025 -23.594 1.00 0.00 C ATOM 226 O GLY A 43 -5.134 -3.927 -24.077 1.00 0.00 O ATOM 0 H GLY A 43 -2.787 -7.103 -23.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.502 -5.689 -25.113 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.068 -6.475 -25.156 1.00 0.00 H new ATOM 230 N TYR A 44 -5.043 -5.293 -22.302 1.00 0.00 N ATOM 231 CA TYR A 44 -5.583 -4.276 -21.414 1.00 0.00 C ATOM 232 C TYR A 44 -4.513 -3.813 -20.424 1.00 0.00 C ATOM 233 O TYR A 44 -3.626 -4.579 -20.049 1.00 0.00 O ATOM 234 CB TYR A 44 -6.781 -4.852 -20.661 1.00 0.00 C ATOM 235 CG TYR A 44 -7.830 -5.279 -21.663 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.781 -4.355 -22.112 1.00 0.00 C ATOM 237 CD2 TYR A 44 -7.843 -6.592 -22.150 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.747 -4.745 -23.048 1.00 0.00 C ATOM 239 CE2 TYR A 44 -8.811 -6.983 -23.084 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.762 -6.059 -23.533 1.00 0.00 C ATOM 241 OH TYR A 44 -10.711 -6.440 -24.457 1.00 0.00 O ATOM 0 H TYR A 44 -4.832 -6.187 -21.858 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.902 -3.416 -22.003 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.471 -5.703 -20.054 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.192 -4.107 -19.980 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.770 -3.342 -21.737 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.107 -7.303 -21.805 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.480 -4.033 -23.396 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.824 -7.996 -23.457 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.581 -7.383 -24.690 1.00 0.00 H new ATOM 251 N PRO A 45 -4.577 -2.580 -20.008 1.00 0.00 N ATOM 252 CA PRO A 45 -3.593 -2.002 -19.049 1.00 0.00 C ATOM 253 C PRO A 45 -3.636 -2.668 -17.675 1.00 0.00 C ATOM 254 O PRO A 45 -4.679 -3.153 -17.239 1.00 0.00 O ATOM 255 CB PRO A 45 -3.975 -0.523 -18.956 1.00 0.00 C ATOM 256 CG PRO A 45 -5.365 -0.410 -19.497 1.00 0.00 C ATOM 257 CD PRO A 45 -5.599 -1.608 -20.414 1.00 0.00 C ATOM 0 HA PRO A 45 -2.571 -2.157 -19.394 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.931 -0.175 -17.924 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.284 0.093 -19.530 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.093 -0.400 -18.686 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.488 0.523 -20.046 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.604 -2.013 -20.292 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.492 -1.333 -21.463 1.00 0.00 H new ATOM 265 N ILE A 46 -2.493 -2.662 -16.994 1.00 0.00 N ATOM 266 CA ILE A 46 -2.393 -3.242 -15.659 1.00 0.00 C ATOM 267 C ILE A 46 -1.988 -2.147 -14.681 1.00 0.00 C ATOM 268 O ILE A 46 -1.239 -1.237 -15.037 1.00 0.00 O ATOM 269 CB ILE A 46 -1.359 -4.368 -15.643 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.508 -5.175 -14.349 1.00 0.00 C ATOM 271 CG2 ILE A 46 0.043 -3.764 -15.711 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.793 -6.522 -14.490 1.00 0.00 C ATOM 0 H ILE A 46 -1.623 -2.262 -17.345 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.357 -3.661 -15.370 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.515 -5.024 -16.499 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.089 -4.617 -13.512 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.564 -5.335 -14.129 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.784 -4.563 -15.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.146 -3.186 -16.629 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.200 -3.111 -14.852 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.903 -7.091 -13.567 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.232 -7.082 -15.316 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.265 -6.353 -14.688 1.00 0.00 H new ATOM 284 N GLU A 47 -2.508 -2.209 -13.462 1.00 0.00 N ATOM 285 CA GLU A 47 -2.201 -1.175 -12.484 1.00 0.00 C ATOM 286 C GLU A 47 -1.717 -1.755 -11.163 1.00 0.00 C ATOM 287 O GLU A 47 -2.362 -2.619 -10.567 1.00 0.00 O ATOM 288 CB GLU A 47 -3.447 -0.323 -12.250 1.00 0.00 C ATOM 289 CG GLU A 47 -3.092 0.882 -11.383 1.00 0.00 C ATOM 290 CD GLU A 47 -4.344 1.709 -11.116 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.418 1.257 -11.478 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.210 2.784 -10.556 1.00 0.00 O ATOM 0 H GLU A 47 -3.130 -2.947 -13.132 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.391 -0.565 -12.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.855 0.011 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.220 -0.918 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.657 0.549 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.340 1.493 -11.883 1.00 0.00 H new ATOM 299 N LEU A 48 -0.576 -1.247 -10.709 1.00 0.00 N ATOM 300 CA LEU A 48 0.017 -1.674 -9.448 1.00 0.00 C ATOM 301 C LEU A 48 0.048 -0.491 -8.486 1.00 0.00 C ATOM 302 O LEU A 48 0.326 0.631 -8.905 1.00 0.00 O ATOM 303 CB LEU A 48 1.444 -2.152 -9.692 1.00 0.00 C ATOM 304 CG LEU A 48 1.462 -3.142 -10.852 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.910 -3.497 -11.188 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.709 -4.415 -10.461 1.00 0.00 C ATOM 0 H LEU A 48 -0.040 -0.533 -11.201 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.574 -2.486 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.089 -1.303 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.839 -2.624 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 48 0.979 -2.690 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.928 -4.205 -12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.450 -2.593 -11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.386 -3.947 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.726 -5.118 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.188 -4.869 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.324 -4.166 -10.217 1.00 0.00 H new ATOM 318 N ARG A 49 -0.219 -0.728 -7.207 1.00 0.00 N ATOM 319 CA ARG A 49 -0.191 0.370 -6.244 1.00 0.00 C ATOM 320 C ARG A 49 0.252 -0.098 -4.866 1.00 0.00 C ATOM 321 O ARG A 49 -0.215 -1.117 -4.357 1.00 0.00 O ATOM 322 CB ARG A 49 -1.568 1.027 -6.137 1.00 0.00 C ATOM 323 CG ARG A 49 -1.939 1.630 -7.488 1.00 0.00 C ATOM 324 CD ARG A 49 -3.236 2.427 -7.362 1.00 0.00 C ATOM 325 NE ARG A 49 -3.008 3.658 -6.607 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.538 4.816 -6.997 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.289 4.870 -8.062 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.313 5.902 -6.305 1.00 0.00 N ATOM 0 H ARG A 49 -0.451 -1.642 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 49 0.534 1.097 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.314 0.291 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.557 1.801 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.136 2.278 -7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.058 0.839 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.620 2.667 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.994 1.823 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.432 3.629 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.473 4.023 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.693 5.759 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.732 5.862 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.718 6.789 -6.603 1.00 0.00 H new ATOM 342 N CYS A 50 1.144 0.679 -4.260 1.00 0.00 N ATOM 343 CA CYS A 50 1.640 0.374 -2.928 1.00 0.00 C ATOM 344 C CYS A 50 0.956 1.271 -1.903 1.00 0.00 C ATOM 345 O CYS A 50 0.724 2.455 -2.157 1.00 0.00 O ATOM 346 CB CYS A 50 3.153 0.588 -2.870 1.00 0.00 C ATOM 347 SG CYS A 50 4.001 -0.922 -3.393 1.00 0.00 S ATOM 0 H CYS A 50 1.537 1.525 -4.673 1.00 0.00 H new ATOM 0 HA CYS A 50 1.418 -0.668 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.438 1.419 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.454 0.854 -1.857 1.00 0.00 H new ATOM 352 N PRO A 51 0.632 0.737 -0.758 1.00 0.00 N ATOM 353 CA PRO A 51 -0.043 1.510 0.323 1.00 0.00 C ATOM 354 C PRO A 51 0.858 2.593 0.911 1.00 0.00 C ATOM 355 O PRO A 51 2.084 2.508 0.839 1.00 0.00 O ATOM 356 CB PRO A 51 -0.388 0.455 1.380 1.00 0.00 C ATOM 357 CG PRO A 51 0.528 -0.697 1.119 1.00 0.00 C ATOM 358 CD PRO A 51 0.875 -0.658 -0.369 1.00 0.00 C ATOM 0 HA PRO A 51 -0.918 2.042 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.245 0.848 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.432 0.150 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.429 -0.620 1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.047 -1.640 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.912 -0.946 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.252 -1.346 -0.941 1.00 0.00 H new ATOM 366 N GLY A 52 0.238 3.598 1.520 1.00 0.00 N ATOM 367 CA GLY A 52 0.979 4.683 2.154 1.00 0.00 C ATOM 368 C GLY A 52 2.095 5.230 1.265 1.00 0.00 C ATOM 369 O GLY A 52 1.908 5.471 0.073 1.00 0.00 O ATOM 0 H GLY A 52 -0.776 3.684 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.291 5.490 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.407 4.327 3.091 1.00 0.00 H new ATOM 373 N SER A 53 3.254 5.411 1.884 1.00 0.00 N ATOM 374 CA SER A 53 4.432 5.929 1.190 1.00 0.00 C ATOM 375 C SER A 53 5.391 4.806 0.800 1.00 0.00 C ATOM 376 O SER A 53 6.576 5.046 0.563 1.00 0.00 O ATOM 377 CB SER A 53 5.150 6.952 2.069 1.00 0.00 C ATOM 378 OG SER A 53 5.455 6.368 3.326 1.00 0.00 O ATOM 0 H SER A 53 3.407 5.206 2.871 1.00 0.00 H new ATOM 0 HA SER A 53 4.095 6.413 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.065 7.288 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.522 7.832 2.208 1.00 0.00 H new ATOM 0 HG SER A 53 5.917 7.024 3.888 1.00 0.00 H new ATOM 384 N ASP A 54 4.872 3.585 0.707 1.00 0.00 N ATOM 385 CA ASP A 54 5.686 2.443 0.312 1.00 0.00 C ATOM 386 C ASP A 54 5.866 2.437 -1.205 1.00 0.00 C ATOM 387 O ASP A 54 5.172 3.163 -1.918 1.00 0.00 O ATOM 388 CB ASP A 54 5.017 1.146 0.762 1.00 0.00 C ATOM 389 CG ASP A 54 4.898 1.124 2.283 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.660 1.824 2.930 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.044 0.407 2.779 1.00 0.00 O ATOM 0 H ASP A 54 3.895 3.363 0.899 1.00 0.00 H new ATOM 0 HA ASP A 54 6.664 2.520 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.029 1.060 0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.599 0.289 0.422 1.00 0.00 H new ATOM 396 N VAL A 55 6.789 1.619 -1.701 1.00 0.00 N ATOM 397 CA VAL A 55 7.020 1.551 -3.141 1.00 0.00 C ATOM 398 C VAL A 55 6.992 0.109 -3.644 1.00 0.00 C ATOM 399 O VAL A 55 7.350 -0.828 -2.925 1.00 0.00 O ATOM 400 CB VAL A 55 8.368 2.182 -3.478 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.342 3.660 -3.087 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.472 1.462 -2.700 1.00 0.00 C ATOM 0 H VAL A 55 7.379 1.005 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 55 6.219 2.100 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 55 8.562 2.092 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.303 4.116 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.552 4.169 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.153 3.750 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.437 1.910 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.283 1.555 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.484 0.408 -2.976 1.00 0.00 H new ATOM 412 N ILE A 56 6.552 -0.053 -4.887 1.00 0.00 N ATOM 413 CA ILE A 56 6.466 -1.369 -5.502 1.00 0.00 C ATOM 414 C ILE A 56 7.843 -1.922 -5.845 1.00 0.00 C ATOM 415 O ILE A 56 8.702 -1.210 -6.366 1.00 0.00 O ATOM 416 CB ILE A 56 5.622 -1.293 -6.774 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.200 -0.852 -6.415 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.584 -2.670 -7.445 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.404 -0.588 -7.694 1.00 0.00 C ATOM 0 H ILE A 56 6.249 0.713 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 56 5.999 -2.040 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 56 6.061 -0.570 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.709 -1.623 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.232 0.049 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.982 -2.616 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.598 -2.979 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.145 -3.396 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.393 -0.274 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.891 0.199 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.360 -1.500 -8.290 1.00 0.00 H new ATOM 431 N MET A 57 8.026 -3.211 -5.584 1.00 0.00 N ATOM 432 CA MET A 57 9.279 -3.878 -5.900 1.00 0.00 C ATOM 433 C MET A 57 8.967 -5.193 -6.598 1.00 0.00 C ATOM 434 O MET A 57 8.529 -6.163 -5.973 1.00 0.00 O ATOM 435 CB MET A 57 10.106 -4.110 -4.633 1.00 0.00 C ATOM 436 CG MET A 57 9.603 -5.350 -3.896 1.00 0.00 C ATOM 437 SD MET A 57 10.183 -5.297 -2.185 1.00 0.00 S ATOM 438 CE MET A 57 11.938 -5.048 -2.559 1.00 0.00 C ATOM 0 H MET A 57 7.323 -3.813 -5.155 1.00 0.00 H new ATOM 0 HA MET A 57 9.874 -3.248 -6.562 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.157 -4.234 -4.893 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.040 -3.239 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.514 -5.387 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.965 -6.253 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.540 -5.367 -1.708 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.210 -5.635 -3.436 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.121 -3.992 -2.758 1.00 0.00 H new ATOM 448 N VAL A 58 9.156 -5.197 -7.907 1.00 0.00 N ATOM 449 CA VAL A 58 8.864 -6.377 -8.706 1.00 0.00 C ATOM 450 C VAL A 58 9.812 -7.517 -8.369 1.00 0.00 C ATOM 451 O VAL A 58 11.032 -7.372 -8.439 1.00 0.00 O ATOM 452 CB VAL A 58 8.956 -6.037 -10.189 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.516 -7.245 -11.019 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.033 -4.853 -10.484 1.00 0.00 C ATOM 0 H VAL A 58 9.509 -4.401 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 58 7.850 -6.703 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 58 9.983 -5.779 -10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.582 -7.001 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.165 -8.093 -10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.487 -7.503 -10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.091 -4.601 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.007 -5.119 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.342 -3.994 -9.889 1.00 0.00 H new ATOM 464 N GLU A 59 9.234 -8.657 -8.015 1.00 0.00 N ATOM 465 CA GLU A 59 10.023 -9.828 -7.676 1.00 0.00 C ATOM 466 C GLU A 59 9.959 -10.844 -8.809 1.00 0.00 C ATOM 467 O GLU A 59 10.988 -11.315 -9.292 1.00 0.00 O ATOM 468 CB GLU A 59 9.503 -10.440 -6.376 1.00 0.00 C ATOM 469 CG GLU A 59 9.582 -9.387 -5.269 1.00 0.00 C ATOM 470 CD GLU A 59 9.278 -10.019 -3.917 1.00 0.00 C ATOM 471 OE1 GLU A 59 8.822 -11.150 -3.904 1.00 0.00 O ATOM 472 OE2 GLU A 59 9.508 -9.364 -2.915 1.00 0.00 O ATOM 0 H GLU A 59 8.225 -8.793 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 59 11.063 -9.535 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.474 -10.778 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.095 -11.315 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.576 -8.939 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.873 -8.584 -5.470 1.00 0.00 H new ATOM 479 N ASN A 60 8.743 -11.165 -9.243 1.00 0.00 N ATOM 480 CA ASN A 60 8.564 -12.116 -10.333 1.00 0.00 C ATOM 481 C ASN A 60 7.337 -11.739 -11.164 1.00 0.00 C ATOM 482 O ASN A 60 6.364 -11.189 -10.648 1.00 0.00 O ATOM 483 CB ASN A 60 8.402 -13.537 -9.782 1.00 0.00 C ATOM 484 CG ASN A 60 9.505 -13.843 -8.773 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.682 -13.887 -9.131 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.194 -14.056 -7.523 1.00 0.00 N ATOM 0 H ASN A 60 7.877 -10.785 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 60 9.449 -12.084 -10.968 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.426 -13.641 -9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.437 -14.257 -10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.926 -14.259 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.219 -14.019 -7.227 1.00 0.00 H new ATOM 493 N ALA A 61 7.405 -12.024 -12.464 1.00 0.00 N ATOM 494 CA ALA A 61 6.311 -11.696 -13.376 1.00 0.00 C ATOM 495 C ALA A 61 6.508 -12.391 -14.722 1.00 0.00 C ATOM 496 O ALA A 61 7.626 -12.761 -15.075 1.00 0.00 O ATOM 497 CB ALA A 61 6.268 -10.184 -13.598 1.00 0.00 C ATOM 0 H ALA A 61 8.203 -12.479 -12.907 1.00 0.00 H new ATOM 0 HA ALA A 61 5.375 -12.037 -12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.452 -9.939 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.109 -9.681 -12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.212 -9.853 -14.030 1.00 0.00 H new ATOM 503 N ASN A 62 5.420 -12.574 -15.472 1.00 0.00 N ATOM 504 CA ASN A 62 5.518 -13.236 -16.775 1.00 0.00 C ATOM 505 C ASN A 62 4.441 -12.760 -17.749 1.00 0.00 C ATOM 506 O ASN A 62 3.321 -12.443 -17.349 1.00 0.00 O ATOM 507 CB ASN A 62 5.377 -14.749 -16.592 1.00 0.00 C ATOM 508 CG ASN A 62 5.674 -15.459 -17.908 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.836 -15.655 -18.262 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.684 -15.853 -18.663 1.00 0.00 N ATOM 0 H ASN A 62 4.479 -12.281 -15.208 1.00 0.00 H new ATOM 0 HA ASN A 62 6.492 -12.982 -17.194 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.062 -15.096 -15.818 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.368 -14.991 -16.257 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.873 -16.324 -19.548 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.721 -15.690 -18.368 1.00 0.00 H new ATOM 517 N TYR A 63 4.778 -12.763 -19.042 1.00 0.00 N ATOM 518 CA TYR A 63 3.830 -12.385 -20.084 1.00 0.00 C ATOM 519 C TYR A 63 3.629 -13.581 -20.997 1.00 0.00 C ATOM 520 O TYR A 63 4.564 -14.036 -21.658 1.00 0.00 O ATOM 521 CB TYR A 63 4.345 -11.194 -20.903 1.00 0.00 C ATOM 522 CG TYR A 63 3.351 -10.882 -22.003 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.181 -10.175 -21.706 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.597 -11.302 -23.316 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.259 -9.891 -22.719 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.674 -11.015 -24.330 1.00 0.00 C ATOM 527 CZ TYR A 63 1.506 -10.310 -24.031 1.00 0.00 C ATOM 528 OH TYR A 63 0.595 -10.031 -25.029 1.00 0.00 O ATOM 0 H TYR A 63 5.701 -13.024 -19.388 1.00 0.00 H new ATOM 0 HA TYR A 63 2.890 -12.087 -19.620 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.479 -10.325 -20.259 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.320 -11.426 -21.332 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.990 -9.848 -20.695 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.500 -11.848 -23.547 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.355 -9.347 -22.488 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.866 -11.339 -25.342 1.00 0.00 H new ATOM 0 HH TYR A 63 0.798 -10.575 -25.819 1.00 0.00 H new ATOM 538 N GLY A 64 2.418 -14.104 -21.010 1.00 0.00 N ATOM 539 CA GLY A 64 2.133 -15.272 -21.825 1.00 0.00 C ATOM 540 C GLY A 64 0.845 -15.929 -21.369 1.00 0.00 C ATOM 541 O GLY A 64 -0.150 -15.259 -21.099 1.00 0.00 O ATOM 0 H GLY A 64 1.626 -13.747 -20.475 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.050 -14.982 -22.872 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.957 -15.983 -21.755 1.00 0.00 H new ATOM 545 N ARG A 65 0.884 -17.248 -21.286 1.00 0.00 N ATOM 546 CA ARG A 65 -0.273 -18.013 -20.858 1.00 0.00 C ATOM 547 C ARG A 65 0.172 -19.358 -20.308 1.00 0.00 C ATOM 548 O ARG A 65 0.740 -20.184 -21.024 1.00 0.00 O ATOM 549 CB ARG A 65 -1.241 -18.217 -22.023 1.00 0.00 C ATOM 550 CG ARG A 65 -2.387 -19.126 -21.572 1.00 0.00 C ATOM 551 CD ARG A 65 -3.709 -18.623 -22.157 1.00 0.00 C ATOM 552 NE ARG A 65 -4.181 -17.459 -21.414 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.036 -17.587 -20.403 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.458 -18.771 -20.053 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.455 -16.530 -19.760 1.00 0.00 N ATOM 0 H ARG A 65 1.705 -17.811 -21.510 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.788 -17.458 -20.074 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.633 -17.257 -22.358 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.720 -18.662 -22.871 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.201 -20.150 -21.897 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.443 -19.143 -20.484 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.574 -18.363 -23.207 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.457 -19.415 -22.118 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.849 -16.530 -21.675 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.132 -19.597 -20.554 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.114 -18.870 -19.278 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.127 -15.604 -20.033 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.111 -16.631 -18.985 1.00 0.00 H new ATOM 569 N THR A 66 -0.098 -19.576 -19.029 1.00 0.00 N ATOM 570 CA THR A 66 0.265 -20.830 -18.387 1.00 0.00 C ATOM 571 C THR A 66 -0.989 -21.482 -17.828 1.00 0.00 C ATOM 572 O THR A 66 -0.922 -22.467 -17.089 1.00 0.00 O ATOM 573 CB THR A 66 1.277 -20.585 -17.259 1.00 0.00 C ATOM 574 OG1 THR A 66 0.589 -20.143 -16.094 1.00 0.00 O ATOM 575 CG2 THR A 66 2.283 -19.513 -17.690 1.00 0.00 C ATOM 0 H THR A 66 -0.564 -18.905 -18.419 1.00 0.00 H new ATOM 0 HA THR A 66 0.727 -21.489 -19.122 1.00 0.00 H new ATOM 0 HB THR A 66 1.807 -21.513 -17.043 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.203 -19.257 -16.258 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.999 -19.342 -16.886 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.812 -19.848 -18.582 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.755 -18.585 -17.908 1.00 0.00 H new ATOM 583 N ASP A 67 -2.136 -20.917 -18.195 1.00 0.00 N ATOM 584 CA ASP A 67 -3.418 -21.435 -17.741 1.00 0.00 C ATOM 585 C ASP A 67 -4.469 -21.262 -18.831 1.00 0.00 C ATOM 586 O ASP A 67 -4.165 -20.823 -19.940 1.00 0.00 O ATOM 587 CB ASP A 67 -3.876 -20.711 -16.472 1.00 0.00 C ATOM 588 CG ASP A 67 -4.960 -21.528 -15.778 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.032 -22.717 -16.038 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.704 -20.955 -14.999 1.00 0.00 O ATOM 0 H ASP A 67 -2.201 -20.102 -18.805 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.297 -22.495 -17.518 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.031 -20.565 -15.800 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.258 -19.722 -16.724 1.00 0.00 H new ATOM 595 N ASP A 68 -5.703 -21.599 -18.497 1.00 0.00 N ATOM 596 CA ASP A 68 -6.804 -21.470 -19.444 1.00 0.00 C ATOM 597 C ASP A 68 -8.057 -20.984 -18.730 1.00 0.00 C ATOM 598 O ASP A 68 -9.107 -20.799 -19.347 1.00 0.00 O ATOM 599 CB ASP A 68 -7.070 -22.814 -20.134 1.00 0.00 C ATOM 600 CG ASP A 68 -7.427 -23.878 -19.103 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.661 -23.515 -17.963 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.454 -25.041 -19.467 1.00 0.00 O ATOM 0 H ASP A 68 -5.970 -21.963 -17.582 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.530 -20.738 -20.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.883 -22.707 -20.852 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.188 -23.123 -20.695 1.00 0.00 H new ATOM 607 N LYS A 69 -7.936 -20.771 -17.422 1.00 0.00 N ATOM 608 CA LYS A 69 -9.062 -20.300 -16.631 1.00 0.00 C ATOM 609 C LYS A 69 -8.949 -18.808 -16.349 1.00 0.00 C ATOM 610 O LYS A 69 -9.753 -18.262 -15.594 1.00 0.00 O ATOM 611 CB LYS A 69 -9.118 -21.043 -15.294 1.00 0.00 C ATOM 612 CG LYS A 69 -9.205 -22.545 -15.544 1.00 0.00 C ATOM 613 CD LYS A 69 -9.444 -23.277 -14.221 1.00 0.00 C ATOM 614 CE LYS A 69 -9.329 -24.783 -14.457 1.00 0.00 C ATOM 615 NZ LYS A 69 -10.584 -25.284 -15.084 1.00 0.00 N ATOM 0 H LYS A 69 -7.076 -20.917 -16.894 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.968 -20.490 -17.206 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.232 -20.814 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.981 -20.710 -14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.015 -22.761 -16.241 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.284 -22.900 -16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.716 -22.956 -13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.431 -23.032 -13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.477 -24.997 -15.102 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.151 -25.297 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.507 -26.309 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.388 -25.092 -14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.735 -24.801 -15.993 1.00 0.00 H new ATOM 629 N ILE A 70 -7.951 -18.144 -16.926 1.00 0.00 N ATOM 630 CA ILE A 70 -7.773 -16.719 -16.678 1.00 0.00 C ATOM 631 C ILE A 70 -8.162 -15.903 -17.897 1.00 0.00 C ATOM 632 O ILE A 70 -7.780 -16.221 -19.024 1.00 0.00 O ATOM 633 CB ILE A 70 -6.315 -16.428 -16.330 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.875 -17.345 -15.192 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.172 -14.969 -15.896 1.00 0.00 C ATOM 636 CD1 ILE A 70 -6.865 -17.235 -14.033 1.00 0.00 C ATOM 0 H ILE A 70 -7.266 -18.561 -17.556 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.417 -16.440 -15.844 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.690 -16.606 -17.205 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.822 -18.376 -15.542 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.875 -17.071 -14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.131 -14.764 -15.648 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.487 -14.315 -16.709 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.796 -14.787 -15.021 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.549 -17.890 -13.221 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.895 -16.205 -13.677 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.858 -17.531 -14.373 1.00 0.00 H new ATOM 648 N CYS A 71 -8.931 -14.853 -17.658 1.00 0.00 N ATOM 649 CA CYS A 71 -9.376 -13.997 -18.741 1.00 0.00 C ATOM 650 C CYS A 71 -10.027 -14.854 -19.810 1.00 0.00 C ATOM 651 O CYS A 71 -9.435 -15.143 -20.850 1.00 0.00 O ATOM 652 CB CYS A 71 -8.188 -13.226 -19.309 1.00 0.00 C ATOM 653 SG CYS A 71 -7.577 -12.090 -18.039 1.00 0.00 S ATOM 0 H CYS A 71 -9.257 -14.576 -16.732 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.105 -13.275 -18.374 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.399 -13.915 -19.611 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.487 -12.673 -20.199 1.00 0.00 H new ATOM 658 N ASP A 72 -11.245 -15.281 -19.515 1.00 0.00 N ATOM 659 CA ASP A 72 -11.984 -16.137 -20.417 1.00 0.00 C ATOM 660 C ASP A 72 -12.110 -15.531 -21.806 1.00 0.00 C ATOM 661 O ASP A 72 -12.889 -14.605 -22.037 1.00 0.00 O ATOM 662 CB ASP A 72 -13.370 -16.419 -19.853 1.00 0.00 C ATOM 663 CG ASP A 72 -14.135 -17.324 -20.811 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.849 -17.274 -21.996 1.00 0.00 O ATOM 665 OD2 ASP A 72 -14.994 -18.056 -20.347 1.00 0.00 O ATOM 0 H ASP A 72 -11.740 -15.046 -18.655 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.426 -17.069 -20.510 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.287 -16.894 -18.876 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.912 -15.485 -19.708 1.00 0.00 H new ATOM 670 N ALA A 73 -11.356 -16.102 -22.732 1.00 0.00 N ATOM 671 CA ALA A 73 -11.388 -15.674 -24.117 1.00 0.00 C ATOM 672 C ALA A 73 -11.845 -16.845 -24.967 1.00 0.00 C ATOM 673 O ALA A 73 -12.364 -17.831 -24.441 1.00 0.00 O ATOM 674 CB ALA A 73 -9.999 -15.219 -24.570 1.00 0.00 C ATOM 0 H ALA A 73 -10.710 -16.869 -22.545 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.074 -14.834 -24.225 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.042 -14.901 -25.612 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.669 -14.386 -23.950 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.295 -16.046 -24.471 1.00 0.00 H new ATOM 680 N ASP A 74 -11.640 -16.752 -26.268 1.00 0.00 N ATOM 681 CA ASP A 74 -12.035 -17.837 -27.147 1.00 0.00 C ATOM 682 C ASP A 74 -11.288 -19.118 -26.777 1.00 0.00 C ATOM 683 O ASP A 74 -10.114 -19.081 -26.408 1.00 0.00 O ATOM 684 CB ASP A 74 -11.766 -17.470 -28.610 1.00 0.00 C ATOM 685 CG ASP A 74 -10.537 -16.572 -28.730 1.00 0.00 C ATOM 686 OD1 ASP A 74 -10.118 -16.025 -27.724 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.039 -16.434 -29.834 1.00 0.00 O ATOM 0 H ASP A 74 -11.210 -15.952 -26.733 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.105 -18.007 -27.025 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.617 -18.377 -29.195 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.635 -16.961 -29.027 1.00 0.00 H new ATOM 692 N PRO A 75 -11.950 -20.242 -26.855 1.00 0.00 N ATOM 693 CA PRO A 75 -11.339 -21.556 -26.507 1.00 0.00 C ATOM 694 C PRO A 75 -10.060 -21.824 -27.299 1.00 0.00 C ATOM 695 O PRO A 75 -9.090 -22.345 -26.758 1.00 0.00 O ATOM 696 CB PRO A 75 -12.426 -22.588 -26.844 1.00 0.00 C ATOM 697 CG PRO A 75 -13.453 -21.861 -27.647 1.00 0.00 C ATOM 698 CD PRO A 75 -13.345 -20.387 -27.280 1.00 0.00 C ATOM 0 HA PRO A 75 -11.037 -21.593 -25.460 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.009 -23.423 -27.408 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.864 -23.004 -25.936 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.282 -22.006 -28.714 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.452 -22.240 -27.430 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.575 -19.744 -28.130 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.038 -20.120 -26.482 1.00 0.00 H new ATOM 706 N PHE A 76 -10.059 -21.446 -28.574 1.00 0.00 N ATOM 707 CA PHE A 76 -8.886 -21.656 -29.422 1.00 0.00 C ATOM 708 C PHE A 76 -7.694 -20.843 -28.934 1.00 0.00 C ATOM 709 O PHE A 76 -6.551 -21.293 -29.010 1.00 0.00 O ATOM 710 CB PHE A 76 -9.211 -21.260 -30.865 1.00 0.00 C ATOM 711 CG PHE A 76 -10.061 -22.333 -31.495 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.439 -22.363 -31.257 1.00 0.00 C ATOM 713 CD2 PHE A 76 -9.468 -23.308 -32.306 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.226 -23.366 -31.831 1.00 0.00 C ATOM 715 CE2 PHE A 76 -10.255 -24.314 -32.879 1.00 0.00 C ATOM 716 CZ PHE A 76 -11.634 -24.343 -32.642 1.00 0.00 C ATOM 0 H PHE A 76 -10.847 -20.997 -29.040 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.624 -22.713 -29.374 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.737 -20.306 -30.883 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.291 -21.127 -31.434 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.895 -21.611 -30.630 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.404 -23.284 -32.489 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.290 -23.388 -31.649 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.798 -25.067 -33.504 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.242 -25.119 -33.084 1.00 0.00 H new ATOM 726 N GLN A 77 -7.964 -19.649 -28.438 1.00 0.00 N ATOM 727 CA GLN A 77 -6.903 -18.785 -27.952 1.00 0.00 C ATOM 728 C GLN A 77 -6.610 -19.028 -26.471 1.00 0.00 C ATOM 729 O GLN A 77 -5.664 -18.465 -25.922 1.00 0.00 O ATOM 730 CB GLN A 77 -7.308 -17.337 -28.165 1.00 0.00 C ATOM 731 CG GLN A 77 -7.430 -17.061 -29.661 1.00 0.00 C ATOM 732 CD GLN A 77 -7.742 -15.588 -29.876 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.962 -14.828 -28.837 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.793 -15.117 -31.012 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.903 -19.257 -28.361 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.994 -19.010 -28.509 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.257 -17.136 -27.668 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.568 -16.671 -27.720 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.502 -17.326 -30.168 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.217 -17.678 -30.093 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.620 -15.715 -31.820 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.008 -14.129 -31.145 1.00 0.00 H new ATOM 743 N MET A 78 -7.429 -19.859 -25.836 1.00 0.00 N ATOM 744 CA MET A 78 -7.256 -20.163 -24.418 1.00 0.00 C ATOM 745 C MET A 78 -6.911 -21.642 -24.207 1.00 0.00 C ATOM 746 O MET A 78 -6.722 -22.084 -23.074 1.00 0.00 O ATOM 747 CB MET A 78 -8.543 -19.815 -23.664 1.00 0.00 C ATOM 748 CG MET A 78 -8.597 -18.303 -23.407 1.00 0.00 C ATOM 749 SD MET A 78 -7.427 -17.866 -22.095 1.00 0.00 S ATOM 750 CE MET A 78 -8.476 -18.307 -20.680 1.00 0.00 C ATOM 0 H MET A 78 -8.217 -20.333 -26.277 1.00 0.00 H new ATOM 0 HA MET A 78 -6.429 -19.566 -24.034 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.412 -20.127 -24.244 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.580 -20.356 -22.719 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.354 -17.760 -24.320 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.607 -18.009 -23.120 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.860 -18.404 -19.786 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.222 -17.528 -20.524 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.977 -19.254 -20.880 1.00 0.00 H new ATOM 760 N GLU A 79 -6.851 -22.403 -25.303 1.00 0.00 N ATOM 761 CA GLU A 79 -6.555 -23.835 -25.221 1.00 0.00 C ATOM 762 C GLU A 79 -5.126 -24.103 -24.759 1.00 0.00 C ATOM 763 O GLU A 79 -4.892 -25.009 -23.957 1.00 0.00 O ATOM 764 CB GLU A 79 -6.757 -24.491 -26.592 1.00 0.00 C ATOM 765 CG GLU A 79 -8.248 -24.716 -26.855 1.00 0.00 C ATOM 766 CD GLU A 79 -8.523 -26.201 -27.058 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.997 -26.991 -26.291 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.257 -26.526 -27.976 1.00 0.00 O ATOM 0 H GLU A 79 -7.002 -22.055 -26.250 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.239 -24.260 -24.486 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.334 -23.858 -27.372 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.226 -25.442 -26.630 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.834 -24.340 -26.016 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.559 -24.156 -27.737 1.00 0.00 H new ATOM 775 N ASN A 80 -4.166 -23.349 -25.283 1.00 0.00 N ATOM 776 CA ASN A 80 -2.762 -23.547 -24.935 1.00 0.00 C ATOM 777 C ASN A 80 -2.406 -22.907 -23.594 1.00 0.00 C ATOM 778 O ASN A 80 -2.536 -21.699 -23.417 1.00 0.00 O ATOM 779 CB ASN A 80 -1.906 -22.916 -26.035 1.00 0.00 C ATOM 780 CG ASN A 80 -0.426 -23.158 -25.777 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.025 -24.302 -25.745 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.363 -22.134 -25.597 1.00 0.00 N ATOM 0 H ASN A 80 -4.333 -22.595 -25.950 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.575 -24.617 -24.847 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.184 -23.334 -27.002 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.100 -21.845 -26.083 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.358 -22.280 -25.429 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.016 -21.187 -25.624 1.00 0.00 H new ATOM 789 N VAL A 81 -1.940 -23.731 -22.664 1.00 0.00 N ATOM 790 CA VAL A 81 -1.549 -23.247 -21.344 1.00 0.00 C ATOM 791 C VAL A 81 -0.040 -23.346 -21.156 1.00 0.00 C ATOM 792 O VAL A 81 0.431 -23.626 -20.056 1.00 0.00 O ATOM 793 CB VAL A 81 -2.234 -24.071 -20.256 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.752 -23.921 -20.374 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.850 -25.545 -20.419 1.00 0.00 C ATOM 0 H VAL A 81 -1.823 -24.735 -22.798 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.854 -22.203 -21.267 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.914 -23.716 -19.276 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.237 -24.510 -19.596 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.024 -22.872 -20.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.077 -24.274 -21.353 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.338 -26.136 -19.644 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.170 -25.898 -21.399 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.769 -25.651 -20.330 1.00 0.00 H new ATOM 805 N GLN A 82 0.720 -23.133 -22.226 1.00 0.00 N ATOM 806 CA GLN A 82 2.171 -23.226 -22.124 1.00 0.00 C ATOM 807 C GLN A 82 2.867 -22.148 -22.948 1.00 0.00 C ATOM 808 O GLN A 82 3.269 -22.381 -24.087 1.00 0.00 O ATOM 809 CB GLN A 82 2.640 -24.604 -22.596 1.00 0.00 C ATOM 810 CG GLN A 82 2.044 -25.690 -21.697 1.00 0.00 C ATOM 811 CD GLN A 82 2.801 -25.745 -20.376 1.00 0.00 C ATOM 812 OE1 GLN A 82 2.823 -24.767 -19.628 1.00 0.00 O ATOM 813 NE2 GLN A 82 3.430 -26.838 -20.045 1.00 0.00 N ATOM 0 H GLN A 82 0.365 -22.900 -23.153 1.00 0.00 H new ATOM 0 HA GLN A 82 2.436 -23.078 -21.077 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.336 -24.767 -23.630 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.728 -24.656 -22.572 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.990 -25.484 -21.513 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.097 -26.657 -22.197 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.410 -27.646 -20.667 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.942 -26.885 -19.164 1.00 0.00 H new ATOM 822 N CYS A 83 3.024 -20.978 -22.346 1.00 0.00 N ATOM 823 CA CYS A 83 3.698 -19.860 -22.999 1.00 0.00 C ATOM 824 C CYS A 83 4.393 -19.005 -21.944 1.00 0.00 C ATOM 825 O CYS A 83 3.759 -18.560 -20.991 1.00 0.00 O ATOM 826 CB CYS A 83 2.694 -19.006 -23.770 1.00 0.00 C ATOM 827 SG CYS A 83 3.582 -17.714 -24.675 1.00 0.00 S ATOM 0 H CYS A 83 2.693 -20.776 -21.403 1.00 0.00 H new ATOM 0 HA CYS A 83 4.433 -20.252 -23.702 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.126 -19.627 -24.463 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.977 -18.558 -23.083 1.00 0.00 H new ATOM 832 N TYR A 84 5.695 -18.787 -22.102 1.00 0.00 N ATOM 833 CA TYR A 84 6.438 -17.994 -21.127 1.00 0.00 C ATOM 834 C TYR A 84 7.322 -16.941 -21.807 1.00 0.00 C ATOM 835 O TYR A 84 7.815 -17.153 -22.916 1.00 0.00 O ATOM 836 CB TYR A 84 7.313 -18.923 -20.280 1.00 0.00 C ATOM 837 CG TYR A 84 6.446 -19.859 -19.466 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.983 -21.060 -20.024 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.109 -19.527 -18.148 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.184 -21.924 -19.263 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.312 -20.391 -17.388 1.00 0.00 C ATOM 842 CZ TYR A 84 4.849 -21.589 -17.945 1.00 0.00 C ATOM 843 OH TYR A 84 4.065 -22.441 -17.192 1.00 0.00 O ATOM 0 H TYR A 84 6.250 -19.141 -22.881 1.00 0.00 H new ATOM 0 HA TYR A 84 5.718 -17.472 -20.497 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.976 -19.499 -20.926 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.947 -18.334 -19.617 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.242 -21.319 -21.040 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.465 -18.603 -17.717 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.827 -22.848 -19.693 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.054 -20.133 -16.371 1.00 0.00 H new ATOM 0 HH TYR A 84 3.929 -22.058 -16.300 1.00 0.00 H new ATOM 853 N LEU A 85 7.538 -15.814 -21.116 1.00 0.00 N ATOM 854 CA LEU A 85 8.391 -14.737 -21.636 1.00 0.00 C ATOM 855 C LEU A 85 9.200 -14.124 -20.488 1.00 0.00 C ATOM 856 O LEU A 85 8.713 -13.256 -19.767 1.00 0.00 O ATOM 857 CB LEU A 85 7.550 -13.648 -22.303 1.00 0.00 C ATOM 858 CG LEU A 85 8.482 -12.591 -22.911 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.322 -13.219 -24.028 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.649 -11.444 -23.488 1.00 0.00 C ATOM 0 H LEU A 85 7.135 -15.625 -20.198 1.00 0.00 H new ATOM 0 HA LEU A 85 9.064 -15.161 -22.381 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.919 -14.083 -23.078 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.885 -13.187 -21.573 1.00 0.00 H new ATOM 0 HG LEU A 85 9.143 -12.208 -22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.982 -12.464 -24.456 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.920 -14.034 -23.619 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.663 -13.607 -24.805 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.312 -10.694 -23.919 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.985 -11.830 -24.262 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.056 -10.990 -22.694 1.00 0.00 H new ATOM 872 N PRO A 86 10.406 -14.587 -20.294 1.00 0.00 N ATOM 873 CA PRO A 86 11.293 -14.109 -19.188 1.00 0.00 C ATOM 874 C PRO A 86 11.499 -12.593 -19.163 1.00 0.00 C ATOM 875 O PRO A 86 11.423 -11.977 -18.102 1.00 0.00 O ATOM 876 CB PRO A 86 12.625 -14.822 -19.436 1.00 0.00 C ATOM 877 CG PRO A 86 12.334 -15.959 -20.362 1.00 0.00 C ATOM 878 CD PRO A 86 11.050 -15.622 -21.114 1.00 0.00 C ATOM 0 HA PRO A 86 10.843 -14.334 -18.221 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.353 -14.141 -19.876 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.051 -15.184 -18.500 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.159 -16.106 -21.059 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.219 -16.888 -19.804 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.262 -15.257 -22.119 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.411 -16.498 -21.221 1.00 0.00 H new ATOM 886 N ASP A 87 11.808 -11.992 -20.310 1.00 0.00 N ATOM 887 CA ASP A 87 12.070 -10.553 -20.353 1.00 0.00 C ATOM 888 C ASP A 87 10.910 -9.751 -19.771 1.00 0.00 C ATOM 889 O ASP A 87 11.098 -8.639 -19.289 1.00 0.00 O ATOM 890 CB ASP A 87 12.326 -10.103 -21.793 1.00 0.00 C ATOM 891 CG ASP A 87 13.634 -10.696 -22.300 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.385 -11.204 -21.484 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.865 -10.634 -23.497 1.00 0.00 O ATOM 0 H ASP A 87 11.883 -12.468 -21.209 1.00 0.00 H new ATOM 0 HA ASP A 87 12.955 -10.365 -19.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.502 -10.418 -22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.368 -9.015 -21.841 1.00 0.00 H new ATOM 898 N ALA A 88 9.713 -10.303 -19.815 1.00 0.00 N ATOM 899 CA ALA A 88 8.561 -9.591 -19.281 1.00 0.00 C ATOM 900 C ALA A 88 8.810 -9.156 -17.833 1.00 0.00 C ATOM 901 O ALA A 88 8.319 -8.111 -17.403 1.00 0.00 O ATOM 902 CB ALA A 88 7.324 -10.482 -19.344 1.00 0.00 C ATOM 0 H ALA A 88 9.511 -11.223 -20.206 1.00 0.00 H new ATOM 0 HA ALA A 88 8.399 -8.700 -19.887 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.466 -9.942 -18.943 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.127 -10.758 -20.380 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.494 -11.383 -18.754 1.00 0.00 H new ATOM 908 N PHE A 89 9.585 -9.950 -17.092 1.00 0.00 N ATOM 909 CA PHE A 89 9.901 -9.625 -15.704 1.00 0.00 C ATOM 910 C PHE A 89 10.771 -8.373 -15.594 1.00 0.00 C ATOM 911 O PHE A 89 10.503 -7.490 -14.777 1.00 0.00 O ATOM 912 CB PHE A 89 10.629 -10.799 -15.046 1.00 0.00 C ATOM 913 CG PHE A 89 11.274 -10.323 -13.766 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.487 -9.987 -12.660 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.668 -10.207 -13.695 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.094 -9.538 -11.480 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.274 -9.756 -12.518 1.00 0.00 C ATOM 918 CZ PHE A 89 12.487 -9.422 -11.410 1.00 0.00 C ATOM 0 H PHE A 89 10.002 -10.817 -17.429 1.00 0.00 H new ATOM 0 HA PHE A 89 8.958 -9.431 -15.193 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.928 -11.607 -14.836 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.384 -11.200 -15.722 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.412 -10.074 -12.716 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.275 -10.466 -14.550 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.487 -9.281 -10.624 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.349 -9.666 -12.464 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.955 -9.075 -10.501 1.00 0.00 H new ATOM 928 N LYS A 90 11.822 -8.315 -16.408 1.00 0.00 N ATOM 929 CA LYS A 90 12.738 -7.176 -16.375 1.00 0.00 C ATOM 930 C LYS A 90 12.027 -5.900 -16.810 1.00 0.00 C ATOM 931 O LYS A 90 12.251 -4.828 -16.248 1.00 0.00 O ATOM 932 CB LYS A 90 13.939 -7.431 -17.292 1.00 0.00 C ATOM 933 CG LYS A 90 13.638 -6.906 -18.700 1.00 0.00 C ATOM 934 CD LYS A 90 14.744 -7.323 -19.667 1.00 0.00 C ATOM 935 CE LYS A 90 14.549 -6.592 -20.998 1.00 0.00 C ATOM 936 NZ LYS A 90 13.090 -6.487 -21.298 1.00 0.00 N ATOM 0 H LYS A 90 12.060 -9.034 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 90 13.088 -7.054 -15.350 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.825 -6.938 -16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.158 -8.498 -17.331 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.679 -7.295 -19.043 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.553 -5.820 -18.680 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.721 -7.084 -19.246 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.720 -8.401 -19.823 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.994 -5.598 -20.948 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.058 -7.129 -21.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.951 -6.414 -22.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.601 -7.333 -20.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.700 -5.641 -20.835 1.00 0.00 H new ATOM 950 N ILE A 91 11.178 -6.026 -17.823 1.00 0.00 N ATOM 951 CA ILE A 91 10.442 -4.880 -18.347 1.00 0.00 C ATOM 952 C ILE A 91 9.574 -4.231 -17.278 1.00 0.00 C ATOM 953 O ILE A 91 9.615 -3.017 -17.084 1.00 0.00 O ATOM 954 CB ILE A 91 9.540 -5.325 -19.497 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.390 -5.874 -20.644 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.712 -4.138 -19.989 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.468 -6.401 -21.745 1.00 0.00 C ATOM 0 H ILE A 91 10.982 -6.907 -18.297 1.00 0.00 H new ATOM 0 HA ILE A 91 11.176 -4.152 -18.692 1.00 0.00 H new ATOM 0 HB ILE A 91 8.871 -6.110 -19.144 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.038 -5.092 -21.039 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.038 -6.672 -20.283 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.069 -4.458 -20.809 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.097 -3.760 -19.172 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.378 -3.349 -20.337 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.069 -6.794 -22.565 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.839 -7.195 -21.343 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.839 -5.590 -22.112 1.00 0.00 H new ATOM 969 N MET A 92 8.775 -5.040 -16.594 1.00 0.00 N ATOM 970 CA MET A 92 7.895 -4.509 -15.568 1.00 0.00 C ATOM 971 C MET A 92 8.701 -4.007 -14.384 1.00 0.00 C ATOM 972 O MET A 92 8.321 -3.039 -13.729 1.00 0.00 O ATOM 973 CB MET A 92 6.916 -5.583 -15.097 1.00 0.00 C ATOM 974 CG MET A 92 5.918 -5.894 -16.216 1.00 0.00 C ATOM 975 SD MET A 92 4.262 -6.099 -15.510 1.00 0.00 S ATOM 976 CE MET A 92 3.914 -4.345 -15.231 1.00 0.00 C ATOM 0 H MET A 92 8.720 -6.049 -16.729 1.00 0.00 H new ATOM 0 HA MET A 92 7.336 -3.678 -15.998 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.458 -6.486 -14.818 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.386 -5.242 -14.208 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.915 -5.088 -16.949 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.216 -6.801 -16.741 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.902 -4.232 -14.841 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.627 -3.943 -14.512 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.003 -3.802 -16.172 1.00 0.00 H new ATOM 986 N SER A 93 9.811 -4.674 -14.110 1.00 0.00 N ATOM 987 CA SER A 93 10.653 -4.286 -12.994 1.00 0.00 C ATOM 988 C SER A 93 11.145 -2.852 -13.162 1.00 0.00 C ATOM 989 O SER A 93 11.116 -2.068 -12.218 1.00 0.00 O ATOM 990 CB SER A 93 11.836 -5.247 -12.898 1.00 0.00 C ATOM 991 OG SER A 93 11.347 -6.569 -12.715 1.00 0.00 O ATOM 0 H SER A 93 10.146 -5.478 -14.640 1.00 0.00 H new ATOM 0 HA SER A 93 10.071 -4.335 -12.074 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.440 -5.191 -13.804 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.482 -4.966 -12.066 1.00 0.00 H new ATOM 0 HG SER A 93 11.356 -7.043 -13.573 1.00 0.00 H new ATOM 997 N GLN A 94 11.575 -2.510 -14.370 1.00 0.00 N ATOM 998 CA GLN A 94 12.048 -1.160 -14.646 1.00 0.00 C ATOM 999 C GLN A 94 10.897 -0.155 -14.576 1.00 0.00 C ATOM 1000 O GLN A 94 11.079 0.989 -14.160 1.00 0.00 O ATOM 1001 CB GLN A 94 12.709 -1.121 -16.027 1.00 0.00 C ATOM 1002 CG GLN A 94 13.933 -2.037 -16.006 1.00 0.00 C ATOM 1003 CD GLN A 94 14.640 -2.026 -17.357 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.105 -1.512 -18.339 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.820 -2.574 -17.462 1.00 0.00 N ATOM 0 H GLN A 94 11.606 -3.144 -15.169 1.00 0.00 H new ATOM 0 HA GLN A 94 12.781 -0.883 -13.889 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.005 -1.447 -16.793 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.003 -0.102 -16.277 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.623 -1.712 -15.227 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.628 -3.054 -15.758 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.260 -2.999 -16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.303 -2.577 -18.361 1.00 0.00 H new ATOM 1014 N ARG A 95 9.722 -0.592 -15.011 1.00 0.00 N ATOM 1015 CA ARG A 95 8.540 0.268 -15.032 1.00 0.00 C ATOM 1016 C ARG A 95 7.897 0.484 -13.654 1.00 0.00 C ATOM 1017 O ARG A 95 7.339 1.551 -13.402 1.00 0.00 O ATOM 1018 CB ARG A 95 7.495 -0.326 -15.981 1.00 0.00 C ATOM 1019 CG ARG A 95 8.020 -0.274 -17.417 1.00 0.00 C ATOM 1020 CD ARG A 95 6.981 -0.872 -18.366 1.00 0.00 C ATOM 1021 NE ARG A 95 5.852 0.037 -18.510 1.00 0.00 N ATOM 1022 CZ ARG A 95 5.857 1.001 -19.427 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.876 1.131 -20.233 1.00 0.00 N ATOM 1024 NH2 ARG A 95 4.842 1.815 -19.522 1.00 0.00 N ATOM 0 H ARG A 95 9.559 -1.538 -15.355 1.00 0.00 H new ATOM 0 HA ARG A 95 8.882 1.245 -15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.277 -1.356 -15.700 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.561 0.230 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.234 0.757 -17.699 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.957 -0.826 -17.493 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.433 -1.060 -19.340 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.638 -1.833 -17.983 1.00 0.00 H new ATOM 0 HE ARG A 95 5.043 -0.067 -17.897 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.669 0.493 -20.160 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.879 1.870 -20.936 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.045 1.712 -18.893 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.845 2.554 -20.225 1.00 0.00 H new ATOM 1038 N CYS A 96 7.920 -0.522 -12.779 1.00 0.00 N ATOM 1039 CA CYS A 96 7.266 -0.369 -11.473 1.00 0.00 C ATOM 1040 C CYS A 96 8.230 -0.371 -10.276 1.00 0.00 C ATOM 1041 O CYS A 96 7.817 -0.058 -9.157 1.00 0.00 O ATOM 1042 CB CYS A 96 6.220 -1.476 -11.285 1.00 0.00 C ATOM 1043 SG CYS A 96 5.111 -1.517 -12.718 1.00 0.00 S ATOM 0 H CYS A 96 8.368 -1.424 -12.939 1.00 0.00 H new ATOM 0 HA CYS A 96 6.800 0.616 -11.487 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.714 -2.440 -11.167 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.647 -1.298 -10.375 1.00 0.00 H new ATOM 1048 N ASN A 97 9.492 -0.733 -10.473 1.00 0.00 N ATOM 1049 CA ASN A 97 10.418 -0.759 -9.344 1.00 0.00 C ATOM 1050 C ASN A 97 10.609 0.630 -8.740 1.00 0.00 C ATOM 1051 O ASN A 97 10.814 1.609 -9.459 1.00 0.00 O ATOM 1052 CB ASN A 97 11.780 -1.325 -9.762 1.00 0.00 C ATOM 1053 CG ASN A 97 11.681 -2.840 -9.940 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.606 -3.413 -9.769 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.744 -3.528 -10.261 1.00 0.00 N ATOM 0 H ASN A 97 9.890 -1.005 -11.372 1.00 0.00 H new ATOM 0 HA ASN A 97 9.977 -1.408 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.106 -0.861 -10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.530 -1.087 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.683 -4.540 -10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.635 -3.053 -10.403 1.00 0.00 H new ATOM 1062 N ASN A 98 10.565 0.695 -7.408 1.00 0.00 N ATOM 1063 CA ASN A 98 10.766 1.949 -6.681 1.00 0.00 C ATOM 1064 C ASN A 98 9.645 2.969 -6.891 1.00 0.00 C ATOM 1065 O ASN A 98 9.803 4.141 -6.548 1.00 0.00 O ATOM 1066 CB ASN A 98 12.118 2.549 -7.054 1.00 0.00 C ATOM 1067 CG ASN A 98 13.214 1.647 -6.498 1.00 0.00 C ATOM 1068 OD1 ASN A 98 12.928 0.646 -5.839 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.465 2.015 -6.739 1.00 0.00 N ATOM 0 H ASN A 98 10.391 -0.111 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 98 10.746 1.704 -5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.210 2.634 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.212 3.556 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.239 1.461 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.653 2.852 -7.290 1.00 0.00 H new ATOM 1075 N ARG A 99 8.509 2.533 -7.423 1.00 0.00 N ATOM 1076 CA ARG A 99 7.390 3.451 -7.621 1.00 0.00 C ATOM 1077 C ARG A 99 6.207 3.070 -6.744 1.00 0.00 C ATOM 1078 O ARG A 99 5.981 1.893 -6.475 1.00 0.00 O ATOM 1079 CB ARG A 99 6.949 3.437 -9.078 1.00 0.00 C ATOM 1080 CG ARG A 99 8.006 4.126 -9.928 1.00 0.00 C ATOM 1081 CD ARG A 99 7.551 4.118 -11.380 1.00 0.00 C ATOM 1082 NE ARG A 99 6.272 4.798 -11.494 1.00 0.00 N ATOM 1083 CZ ARG A 99 5.715 4.996 -12.676 1.00 0.00 C ATOM 1084 NH1 ARG A 99 6.317 4.566 -13.748 1.00 0.00 N ATOM 1085 NH2 ARG A 99 4.569 5.611 -12.768 1.00 0.00 N ATOM 0 H ARG A 99 8.338 1.572 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 99 7.729 4.450 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.805 2.411 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.991 3.946 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.157 5.150 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.963 3.613 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.294 4.611 -12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.462 3.092 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 99 5.799 5.126 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.211 4.081 -13.671 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.894 4.714 -14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.099 5.942 -11.926 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.143 5.762 -13.682 1.00 0.00 H new ATOM 1099 N THR A 100 5.452 4.072 -6.306 1.00 0.00 N ATOM 1100 CA THR A 100 4.288 3.822 -5.469 1.00 0.00 C ATOM 1101 C THR A 100 3.200 3.154 -6.306 1.00 0.00 C ATOM 1102 O THR A 100 2.427 2.334 -5.811 1.00 0.00 O ATOM 1103 CB THR A 100 3.758 5.143 -4.904 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.835 5.892 -4.359 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.725 4.858 -3.807 1.00 0.00 C ATOM 0 H THR A 100 5.624 5.055 -6.515 1.00 0.00 H new ATOM 0 HA THR A 100 4.571 3.169 -4.644 1.00 0.00 H new ATOM 0 HB THR A 100 3.286 5.714 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.496 6.738 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.350 5.800 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.897 4.286 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.193 4.285 -3.007 1.00 0.00 H new ATOM 1113 N GLN A 101 3.160 3.524 -7.583 1.00 0.00 N ATOM 1114 CA GLN A 101 2.181 2.973 -8.516 1.00 0.00 C ATOM 1115 C GLN A 101 2.738 2.964 -9.927 1.00 0.00 C ATOM 1116 O GLN A 101 3.649 3.727 -10.251 1.00 0.00 O ATOM 1117 CB GLN A 101 0.907 3.814 -8.525 1.00 0.00 C ATOM 1118 CG GLN A 101 1.213 5.179 -9.139 1.00 0.00 C ATOM 1119 CD GLN A 101 0.572 5.301 -10.521 1.00 0.00 C ATOM 1120 OE1 GLN A 101 1.220 5.756 -11.465 1.00 0.00 O ATOM 1121 NE2 GLN A 101 -0.663 4.923 -10.700 1.00 0.00 N ATOM 0 H GLN A 101 3.796 4.205 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 101 1.957 1.958 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.128 3.310 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.529 3.935 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.840 5.969 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.292 5.315 -9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -1.199 4.546 -9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.093 5.004 -11.622 1.00 0.00 H new ATOM 1130 N CYS A 102 2.169 2.117 -10.769 1.00 0.00 N ATOM 1131 CA CYS A 102 2.610 2.047 -12.150 1.00 0.00 C ATOM 1132 C CYS A 102 1.522 1.474 -13.053 1.00 0.00 C ATOM 1133 O CYS A 102 0.776 0.577 -12.658 1.00 0.00 O ATOM 1134 CB CYS A 102 3.875 1.197 -12.252 1.00 0.00 C ATOM 1135 SG CYS A 102 3.452 -0.552 -12.086 1.00 0.00 S ATOM 0 H CYS A 102 1.412 1.478 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 102 2.827 3.061 -12.486 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.366 1.373 -13.209 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.582 1.485 -11.474 1.00 0.00 H new ATOM 1140 N VAL A 103 1.462 1.984 -14.279 1.00 0.00 N ATOM 1141 CA VAL A 103 0.493 1.503 -15.253 1.00 0.00 C ATOM 1142 C VAL A 103 1.233 1.001 -16.480 1.00 0.00 C ATOM 1143 O VAL A 103 2.075 1.705 -17.036 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.461 2.618 -15.673 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.550 2.029 -16.572 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.096 3.249 -14.435 1.00 0.00 C ATOM 0 H VAL A 103 2.071 2.728 -14.619 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.087 0.700 -14.798 1.00 0.00 H new ATOM 0 HB VAL A 103 0.088 3.386 -16.217 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.237 2.819 -16.877 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.092 1.585 -17.456 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.099 1.263 -16.024 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.776 4.044 -14.740 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.650 2.490 -13.883 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.316 3.664 -13.797 1.00 0.00 H new ATOM 1156 N VAL A 104 0.927 -0.214 -16.902 1.00 0.00 N ATOM 1157 CA VAL A 104 1.596 -0.774 -18.064 1.00 0.00 C ATOM 1158 C VAL A 104 0.615 -1.507 -18.961 1.00 0.00 C ATOM 1159 O VAL A 104 -0.273 -2.207 -18.477 1.00 0.00 O ATOM 1160 CB VAL A 104 2.689 -1.738 -17.614 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.457 -2.233 -18.839 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.645 -1.012 -16.664 1.00 0.00 C ATOM 0 H VAL A 104 0.233 -0.822 -16.467 1.00 0.00 H new ATOM 0 HA VAL A 104 2.035 0.047 -18.631 1.00 0.00 H new ATOM 0 HB VAL A 104 2.243 -2.588 -17.097 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.240 -2.923 -18.523 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.773 -2.746 -19.515 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.907 -1.384 -19.354 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.427 -1.698 -16.341 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.096 -0.164 -17.180 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.093 -0.656 -15.794 1.00 0.00 H new ATOM 1172 N VAL A 105 0.791 -1.363 -20.270 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.082 -2.045 -21.206 1.00 0.00 C ATOM 1174 C VAL A 105 0.322 -3.504 -21.297 1.00 0.00 C ATOM 1175 O VAL A 105 1.435 -3.827 -21.707 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.003 -1.392 -22.582 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.984 -2.090 -23.525 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.377 0.087 -22.458 1.00 0.00 C ATOM 0 H VAL A 105 1.518 -0.790 -20.697 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.110 -1.974 -20.852 1.00 0.00 H new ATOM 0 HB VAL A 105 1.009 -1.480 -22.978 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.932 -1.628 -24.511 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.723 -3.145 -23.605 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.996 -1.995 -23.132 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.322 0.560 -23.439 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.391 0.174 -22.069 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.316 0.582 -21.778 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.585 -4.376 -20.885 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.319 -5.805 -20.883 1.00 0.00 C ATOM 1190 C ALA A 106 -0.253 -6.378 -22.292 1.00 0.00 C ATOM 1191 O ALA A 106 -0.740 -7.479 -22.534 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.408 -6.526 -20.093 1.00 0.00 C ATOM 0 H ALA A 106 -1.512 -4.118 -20.548 1.00 0.00 H new ATOM 0 HA ALA A 106 0.654 -5.958 -20.416 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.208 -7.597 -20.092 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.418 -6.158 -19.067 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.377 -6.338 -20.555 1.00 0.00 H new ATOM 1198 N GLY A 107 0.329 -5.637 -23.225 1.00 0.00 N ATOM 1199 CA GLY A 107 0.426 -6.116 -24.596 1.00 0.00 C ATOM 1200 C GLY A 107 1.135 -5.095 -25.477 1.00 0.00 C ATOM 1201 O GLY A 107 2.289 -4.750 -25.229 1.00 0.00 O ATOM 0 H GLY A 107 0.735 -4.716 -23.061 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.968 -7.061 -24.618 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.572 -6.312 -24.989 1.00 0.00 H new ATOM 1205 N SER A 108 0.430 -4.616 -26.496 1.00 0.00 N ATOM 1206 CA SER A 108 0.981 -3.630 -27.425 1.00 0.00 C ATOM 1207 C SER A 108 2.502 -3.737 -27.529 1.00 0.00 C ATOM 1208 O SER A 108 3.092 -4.773 -27.225 1.00 0.00 O ATOM 1209 CB SER A 108 0.608 -2.218 -26.975 1.00 0.00 C ATOM 1210 OG SER A 108 1.163 -1.278 -27.887 1.00 0.00 O ATOM 0 H SER A 108 -0.529 -4.895 -26.702 1.00 0.00 H new ATOM 0 HA SER A 108 0.554 -3.835 -28.407 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.476 -2.110 -26.936 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.983 -2.032 -25.969 1.00 0.00 H new ATOM 0 HG SER A 108 0.926 -0.370 -27.605 1.00 0.00 H new ATOM 1216 N ASP A 109 3.123 -2.658 -27.994 1.00 0.00 N ATOM 1217 CA ASP A 109 4.570 -2.624 -28.169 1.00 0.00 C ATOM 1218 C ASP A 109 5.283 -2.640 -26.824 1.00 0.00 C ATOM 1219 O ASP A 109 6.510 -2.576 -26.762 1.00 0.00 O ATOM 1220 CB ASP A 109 4.964 -1.368 -28.945 1.00 0.00 C ATOM 1221 CG ASP A 109 4.419 -1.448 -30.367 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.049 -2.537 -30.777 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.374 -0.421 -31.021 1.00 0.00 O ATOM 0 H ASP A 109 2.646 -1.795 -28.256 1.00 0.00 H new ATOM 0 HA ASP A 109 4.870 -3.511 -28.727 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.572 -0.482 -28.445 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.049 -1.268 -28.967 1.00 0.00 H new ATOM 1228 N ALA A 110 4.510 -2.719 -25.749 1.00 0.00 N ATOM 1229 CA ALA A 110 5.092 -2.736 -24.416 1.00 0.00 C ATOM 1230 C ALA A 110 5.536 -4.150 -24.057 1.00 0.00 C ATOM 1231 O ALA A 110 6.294 -4.349 -23.107 1.00 0.00 O ATOM 1232 CB ALA A 110 4.061 -2.248 -23.397 1.00 0.00 C ATOM 0 H ALA A 110 3.492 -2.772 -25.773 1.00 0.00 H new ATOM 0 HA ALA A 110 5.959 -2.076 -24.400 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.500 -2.262 -22.400 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.757 -1.231 -23.645 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.190 -2.903 -23.419 1.00 0.00 H new ATOM 1238 N PHE A 111 5.075 -5.131 -24.835 1.00 0.00 N ATOM 1239 CA PHE A 111 5.446 -6.522 -24.594 1.00 0.00 C ATOM 1240 C PHE A 111 5.586 -7.295 -25.914 1.00 0.00 C ATOM 1241 O PHE A 111 4.685 -7.267 -26.751 1.00 0.00 O ATOM 1242 CB PHE A 111 4.382 -7.208 -23.742 1.00 0.00 C ATOM 1243 CG PHE A 111 4.433 -6.679 -22.329 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.494 -7.034 -21.485 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.415 -5.844 -21.858 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.535 -6.551 -20.170 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.456 -5.363 -20.542 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.515 -5.716 -19.701 1.00 0.00 C ATOM 0 H PHE A 111 4.451 -4.988 -25.629 1.00 0.00 H new ATOM 0 HA PHE A 111 6.404 -6.522 -24.075 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.394 -7.034 -24.169 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.544 -8.286 -23.742 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.280 -7.680 -21.848 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.597 -5.570 -22.508 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.353 -6.823 -19.519 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.669 -4.719 -20.178 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.546 -5.344 -18.688 1.00 0.00 H new ATOM 1258 N PRO A 112 6.681 -7.999 -26.102 1.00 0.00 N ATOM 1259 CA PRO A 112 6.919 -8.815 -27.331 1.00 0.00 C ATOM 1260 C PRO A 112 5.750 -9.746 -27.649 1.00 0.00 C ATOM 1261 O PRO A 112 4.593 -9.431 -27.370 1.00 0.00 O ATOM 1262 CB PRO A 112 8.165 -9.645 -27.009 1.00 0.00 C ATOM 1263 CG PRO A 112 8.821 -9.008 -25.827 1.00 0.00 C ATOM 1264 CD PRO A 112 7.808 -8.075 -25.164 1.00 0.00 C ATOM 0 HA PRO A 112 7.036 -8.174 -28.205 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.894 -10.678 -26.790 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.844 -9.668 -27.861 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.155 -9.769 -25.122 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.705 -8.451 -26.137 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.489 -8.464 -24.197 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.239 -7.090 -24.986 1.00 0.00 H new ATOM 1272 N ASP A 113 6.074 -10.898 -28.239 1.00 0.00 N ATOM 1273 CA ASP A 113 5.058 -11.889 -28.601 1.00 0.00 C ATOM 1274 C ASP A 113 5.616 -13.311 -28.452 1.00 0.00 C ATOM 1275 O ASP A 113 6.189 -13.862 -29.394 1.00 0.00 O ATOM 1276 CB ASP A 113 4.607 -11.660 -30.046 1.00 0.00 C ATOM 1277 CG ASP A 113 3.328 -12.440 -30.321 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.961 -13.252 -29.488 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.732 -12.207 -31.359 1.00 0.00 O ATOM 0 H ASP A 113 7.029 -11.168 -28.476 1.00 0.00 H new ATOM 0 HA ASP A 113 4.206 -11.777 -27.931 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.439 -10.597 -30.219 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.391 -11.975 -30.735 1.00 0.00 H new ATOM 1284 N PRO A 114 5.481 -13.900 -27.284 1.00 0.00 N ATOM 1285 CA PRO A 114 6.003 -15.276 -26.998 1.00 0.00 C ATOM 1286 C PRO A 114 5.148 -16.400 -27.578 1.00 0.00 C ATOM 1287 O PRO A 114 5.558 -17.561 -27.561 1.00 0.00 O ATOM 1288 CB PRO A 114 5.977 -15.346 -25.474 1.00 0.00 C ATOM 1289 CG PRO A 114 4.866 -14.438 -25.066 1.00 0.00 C ATOM 1290 CD PRO A 114 4.819 -13.317 -26.102 1.00 0.00 C ATOM 0 HA PRO A 114 6.984 -15.420 -27.452 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.802 -16.365 -25.128 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.927 -15.024 -25.048 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.918 -14.975 -25.033 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.040 -14.036 -24.068 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.794 -13.020 -26.324 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.340 -12.426 -25.751 1.00 0.00 H new ATOM 1298 N CYS A 115 3.961 -16.071 -28.071 1.00 0.00 N ATOM 1299 CA CYS A 115 3.087 -17.102 -28.626 1.00 0.00 C ATOM 1300 C CYS A 115 1.880 -16.502 -29.338 1.00 0.00 C ATOM 1301 O CYS A 115 0.747 -16.635 -28.871 1.00 0.00 O ATOM 1302 CB CYS A 115 2.602 -18.026 -27.510 1.00 0.00 C ATOM 1303 SG CYS A 115 2.243 -17.048 -26.031 1.00 0.00 S ATOM 0 H CYS A 115 3.586 -15.123 -28.100 1.00 0.00 H new ATOM 0 HA CYS A 115 3.668 -17.664 -29.357 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.709 -18.563 -27.830 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.362 -18.776 -27.288 1.00 0.00 H new ATOM 1308 N PRO A 116 2.089 -15.870 -30.462 1.00 0.00 N ATOM 1309 CA PRO A 116 0.977 -15.268 -31.250 1.00 0.00 C ATOM 1310 C PRO A 116 -0.099 -16.301 -31.581 1.00 0.00 C ATOM 1311 O PRO A 116 0.174 -17.501 -31.623 1.00 0.00 O ATOM 1312 CB PRO A 116 1.638 -14.746 -32.531 1.00 0.00 C ATOM 1313 CG PRO A 116 3.057 -15.225 -32.521 1.00 0.00 C ATOM 1314 CD PRO A 116 3.395 -15.659 -31.097 1.00 0.00 C ATOM 0 HA PRO A 116 0.472 -14.479 -30.692 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.113 -15.114 -33.413 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.599 -13.657 -32.568 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.184 -16.057 -33.214 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.730 -14.432 -32.848 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.992 -16.571 -31.090 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.972 -14.896 -30.575 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.323 -15.834 -31.815 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.426 -16.735 -32.146 1.00 0.00 C ATOM 1324 C GLY A 117 -3.141 -17.236 -30.889 1.00 0.00 C ATOM 1325 O GLY A 117 -4.145 -17.941 -30.980 1.00 0.00 O ATOM 0 H GLY A 117 -1.576 -14.846 -31.782 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.138 -16.218 -32.789 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.045 -17.585 -32.712 1.00 0.00 H new ATOM 1329 N THR A 118 -2.627 -16.862 -29.720 1.00 0.00 N ATOM 1330 CA THR A 118 -3.231 -17.275 -28.450 1.00 0.00 C ATOM 1331 C THR A 118 -3.513 -16.050 -27.584 1.00 0.00 C ATOM 1332 O THR A 118 -2.785 -15.060 -27.653 1.00 0.00 O ATOM 1333 CB THR A 118 -2.285 -18.227 -27.705 1.00 0.00 C ATOM 1334 OG1 THR A 118 -2.048 -19.381 -28.500 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.902 -18.649 -26.368 1.00 0.00 C ATOM 0 H THR A 118 -1.798 -16.276 -29.623 1.00 0.00 H new ATOM 0 HA THR A 118 -4.169 -17.791 -28.657 1.00 0.00 H new ATOM 0 HB THR A 118 -1.344 -17.711 -27.515 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.443 -19.987 -28.024 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.221 -19.324 -25.850 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.076 -17.766 -25.753 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.849 -19.157 -26.549 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.547 -16.120 -26.746 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.852 -15.000 -25.865 1.00 0.00 C ATOM 1345 C TYR A 119 -3.982 -15.106 -24.616 1.00 0.00 C ATOM 1346 O TYR A 119 -4.092 -16.061 -23.845 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.334 -14.989 -25.482 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.647 -13.687 -24.795 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.455 -13.560 -23.417 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.114 -12.601 -25.542 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.732 -12.346 -22.784 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.390 -11.385 -24.909 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.200 -11.257 -23.531 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.468 -10.054 -22.912 1.00 0.00 O ATOM 0 H TYR A 119 -5.173 -16.921 -26.661 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.640 -14.067 -26.387 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.954 -15.106 -26.371 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.560 -15.827 -24.823 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.093 -14.399 -22.842 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.261 -12.701 -26.607 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.585 -12.247 -21.719 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.750 -10.545 -25.485 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.730 -9.430 -23.076 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.075 -14.151 -24.462 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.129 -14.165 -23.352 1.00 0.00 C ATOM 1366 C LYS A 120 -2.643 -13.432 -22.104 1.00 0.00 C ATOM 1367 O LYS A 120 -3.825 -13.099 -21.974 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.824 -13.515 -23.836 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.321 -14.280 -25.065 1.00 0.00 C ATOM 1370 CD LYS A 120 0.971 -13.658 -25.605 1.00 0.00 C ATOM 1371 CE LYS A 120 1.270 -14.262 -26.980 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.912 -13.284 -28.048 1.00 0.00 N ATOM 0 H LYS A 120 -2.973 -13.355 -25.092 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.977 -15.202 -23.052 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.993 -12.468 -24.086 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.075 -13.537 -23.045 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.145 -15.323 -24.802 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.086 -14.272 -25.842 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.866 -12.576 -25.683 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.797 -13.850 -24.920 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.326 -14.523 -27.051 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.704 -15.184 -27.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -0.007 -13.542 -28.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.852 -12.330 -27.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.641 -13.298 -28.790 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.687 -13.127 -21.241 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.952 -12.363 -20.025 1.00 0.00 C ATOM 1388 C TYR A 121 -0.661 -11.985 -19.326 1.00 0.00 C ATOM 1389 O TYR A 121 0.421 -12.431 -19.710 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.903 -13.110 -19.075 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.228 -14.292 -18.411 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.237 -14.101 -17.437 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.627 -15.584 -18.755 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.645 -15.211 -16.816 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.043 -16.691 -18.135 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.050 -16.506 -17.166 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.475 -17.601 -16.554 1.00 0.00 O ATOM 0 H TYR A 121 -0.711 -13.398 -21.359 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.454 -11.443 -20.323 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.265 -12.423 -18.310 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.774 -13.456 -19.632 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.930 -13.102 -17.166 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.391 -15.729 -19.504 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.122 -15.068 -16.069 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.357 -17.689 -18.403 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.202 -17.361 -15.644 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.776 -11.164 -18.293 1.00 0.00 N ATOM 1408 CA LEU A 122 0.395 -10.745 -17.549 1.00 0.00 C ATOM 1409 C LEU A 122 0.149 -10.881 -16.057 1.00 0.00 C ATOM 1410 O LEU A 122 -0.826 -10.351 -15.527 1.00 0.00 O ATOM 1411 CB LEU A 122 0.738 -9.290 -17.883 1.00 0.00 C ATOM 1412 CG LEU A 122 2.033 -8.889 -17.170 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.227 -9.578 -17.839 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.216 -7.372 -17.254 1.00 0.00 C ATOM 0 H LEU A 122 -1.659 -10.780 -17.956 1.00 0.00 H new ATOM 0 HA LEU A 122 1.231 -11.385 -17.831 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.853 -9.171 -18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.076 -8.634 -17.575 1.00 0.00 H new ATOM 0 HG LEU A 122 1.975 -9.195 -16.125 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.146 -9.290 -17.329 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.103 -10.659 -17.780 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.283 -9.276 -18.885 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.138 -7.088 -16.746 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.270 -7.069 -18.300 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.371 -6.877 -16.776 1.00 0.00 H new ATOM 1426 N GLU A 123 1.052 -11.588 -15.390 1.00 0.00 N ATOM 1427 CA GLU A 123 0.948 -11.790 -13.953 1.00 0.00 C ATOM 1428 C GLU A 123 2.203 -11.263 -13.265 1.00 0.00 C ATOM 1429 O GLU A 123 3.318 -11.629 -13.636 1.00 0.00 O ATOM 1430 CB GLU A 123 0.788 -13.279 -13.642 1.00 0.00 C ATOM 1431 CG GLU A 123 0.651 -13.456 -12.131 1.00 0.00 C ATOM 1432 CD GLU A 123 0.692 -14.935 -11.761 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.781 -15.747 -12.665 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.633 -15.231 -10.579 1.00 0.00 O ATOM 0 H GLU A 123 1.863 -12.030 -15.822 1.00 0.00 H new ATOM 0 HA GLU A 123 0.076 -11.250 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.090 -13.678 -14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.650 -13.836 -14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.456 -12.925 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.286 -13.016 -11.791 1.00 0.00 H new ATOM 1441 N VAL A 124 2.024 -10.382 -12.281 1.00 0.00 N ATOM 1442 CA VAL A 124 3.178 -9.799 -11.587 1.00 0.00 C ATOM 1443 C VAL A 124 3.054 -9.875 -10.067 1.00 0.00 C ATOM 1444 O VAL A 124 2.059 -9.436 -9.491 1.00 0.00 O ATOM 1445 CB VAL A 124 3.312 -8.324 -11.970 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.559 -7.728 -11.310 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.426 -8.186 -13.488 1.00 0.00 C ATOM 0 H VAL A 124 1.114 -10.060 -11.950 1.00 0.00 H new ATOM 0 HA VAL A 124 4.050 -10.377 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 124 2.427 -7.789 -11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.650 -6.677 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.473 -7.812 -10.227 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.443 -8.269 -11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.521 -7.133 -13.751 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.305 -8.728 -13.838 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.534 -8.599 -13.959 1.00 0.00 H new ATOM 1457 N GLN A 125 4.090 -10.415 -9.420 1.00 0.00 N ATOM 1458 CA GLN A 125 4.109 -10.517 -7.966 1.00 0.00 C ATOM 1459 C GLN A 125 5.133 -9.532 -7.415 1.00 0.00 C ATOM 1460 O GLN A 125 6.285 -9.518 -7.850 1.00 0.00 O ATOM 1461 CB GLN A 125 4.486 -11.940 -7.549 1.00 0.00 C ATOM 1462 CG GLN A 125 3.466 -12.921 -8.126 1.00 0.00 C ATOM 1463 CD GLN A 125 3.986 -13.510 -9.431 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.487 -13.097 -10.565 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.872 -14.364 -9.420 1.00 0.00 N flip ATOM 0 H GLN A 125 4.921 -10.786 -9.881 1.00 0.00 H new ATOM 0 HA GLN A 125 3.121 -10.284 -7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.486 -12.184 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.509 -12.019 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.272 -13.719 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.518 -12.412 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.260 -14.685 -8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.218 -14.751 -10.298 1.00 0.00 H new ATOM 1474 N TYR A 126 4.712 -8.690 -6.480 1.00 0.00 N ATOM 1475 CA TYR A 126 5.618 -7.691 -5.927 1.00 0.00 C ATOM 1476 C TYR A 126 5.258 -7.320 -4.490 1.00 0.00 C ATOM 1477 O TYR A 126 4.145 -7.565 -4.023 1.00 0.00 O ATOM 1478 CB TYR A 126 5.566 -6.438 -6.802 1.00 0.00 C ATOM 1479 CG TYR A 126 4.217 -5.778 -6.639 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.142 -6.173 -7.445 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.039 -4.780 -5.676 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.891 -5.568 -7.287 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.788 -4.174 -5.519 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.713 -4.568 -6.325 1.00 0.00 C ATOM 1485 OH TYR A 126 0.480 -3.970 -6.171 1.00 0.00 O ATOM 0 H TYR A 126 3.768 -8.677 -6.094 1.00 0.00 H new ATOM 0 HA TYR A 126 6.622 -8.116 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.360 -5.747 -6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.732 -6.701 -7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.279 -6.944 -8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.868 -4.477 -5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.062 -5.873 -7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.651 -3.402 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.225 -4.608 -6.408 1.00 0.00 H new ATOM 1495 N ASP A 127 6.219 -6.717 -3.797 1.00 0.00 N ATOM 1496 CA ASP A 127 6.014 -6.305 -2.414 1.00 0.00 C ATOM 1497 C ASP A 127 6.145 -4.789 -2.280 1.00 0.00 C ATOM 1498 O ASP A 127 6.752 -4.131 -3.123 1.00 0.00 O ATOM 1499 CB ASP A 127 7.051 -6.978 -1.514 1.00 0.00 C ATOM 1500 CG ASP A 127 6.886 -8.493 -1.565 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.813 -8.940 -1.935 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.835 -9.185 -1.235 1.00 0.00 O ATOM 0 H ASP A 127 7.144 -6.504 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 127 5.010 -6.604 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.056 -6.703 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.937 -6.626 -0.489 1.00 0.00 H new ATOM 1507 N CYS A 128 5.572 -4.245 -1.210 1.00 0.00 N ATOM 1508 CA CYS A 128 5.632 -2.805 -0.963 1.00 0.00 C ATOM 1509 C CYS A 128 6.541 -2.524 0.237 1.00 0.00 C ATOM 1510 O CYS A 128 6.178 -2.822 1.375 1.00 0.00 O ATOM 1511 CB CYS A 128 4.220 -2.277 -0.683 1.00 0.00 C ATOM 1512 SG CYS A 128 3.229 -2.359 -2.199 1.00 0.00 S ATOM 0 H CYS A 128 5.063 -4.775 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 128 6.038 -2.302 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.749 -2.867 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.270 -1.249 -0.324 1.00 0.00 H new ATOM 1517 N VAL A 129 7.725 -1.959 -0.014 1.00 0.00 N ATOM 1518 CA VAL A 129 8.663 -1.669 1.074 1.00 0.00 C ATOM 1519 C VAL A 129 8.867 -0.164 1.261 1.00 0.00 C ATOM 1520 O VAL A 129 8.670 0.615 0.326 1.00 0.00 O ATOM 1521 CB VAL A 129 10.019 -2.313 0.772 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.920 -3.826 0.948 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.428 -1.990 -0.668 1.00 0.00 C ATOM 0 H VAL A 129 8.053 -1.697 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 129 8.238 -2.078 1.991 1.00 0.00 H new ATOM 0 HB VAL A 129 10.767 -1.919 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.887 -4.281 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.632 -4.055 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.171 -4.224 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.393 -2.448 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.679 -2.382 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.504 -0.910 -0.791 1.00 0.00 H new ATOM 1533 N PRO A 130 9.279 0.255 2.441 1.00 0.00 N ATOM 1534 CA PRO A 130 9.540 1.696 2.723 1.00 0.00 C ATOM 1535 C PRO A 130 10.547 2.305 1.748 1.00 0.00 C ATOM 1536 O PRO A 130 11.524 1.665 1.355 1.00 0.00 O ATOM 1537 CB PRO A 130 10.117 1.723 4.139 1.00 0.00 C ATOM 1538 CG PRO A 130 9.804 0.400 4.758 1.00 0.00 C ATOM 1539 CD PRO A 130 9.524 -0.591 3.627 1.00 0.00 C ATOM 0 HA PRO A 130 8.626 2.280 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.193 1.893 4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.679 2.535 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.639 0.057 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.940 0.482 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.369 -1.260 3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.660 -1.216 3.853 1.00 0.00 H new