USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 84 ASN :FLIP amide:sc= -0.502 F(o=-3.8,f=-2.4) USER MOD Set 1.2: A 85 ASN :FLIP amide:sc= -1.9! C(o=-9.8!,f=-2.4!) USER MOD Set 2.1: A 56 MET CE :methyl -162:sc= -9.45! (180deg=-10.7!) USER MOD Set 2.2: A 69 TYR OH : rot 120:sc= -1.24 USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -0.125 F(o=-5.7!,f=-0.5) USER MOD Set 3.2: A 62 CYS SG : rot -92:sc= -0.378 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.11 F(o=-2.2!,f=-1.1) USER MOD Single : A 20 HIS : no HD1:sc= -0.0647 K(o=-0.065,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.3!) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.111) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -69:sc= 1.15 USER MOD Single : A 40 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.82) USER MOD Single : A 43 GLN :FLIP amide:sc= -5.4! C(o=-13!,f=-5.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 102:sc= 0.0413 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 23:sc= 0.652! USER MOD Single : A 57 ASN : amide:sc= -4! C(o=-4!,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0393 (180deg=-0.434) USER MOD Single : A 61 ASN : amide:sc= -0.721 K(o=-0.72,f=-5.5!) USER MOD Single : A 64 THR OG1 : rot -75:sc= -0.0118 USER MOD Single : A 65 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.218 (180deg=-1.08) USER MOD Single : A 73 TYR OH : rot -90:sc= -2.36! USER MOD Single : A 77 TYR OH : rot 149:sc= -1.48 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 71:sc= 0.754 USER MOD Single : A 105 CYS SG : rot -77:sc= 1.22 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 1.108 -2.087 -3.768 1.00 0.00 N ATOM 174 CA VAL A 13 0.691 -3.169 -4.695 1.00 0.00 C ATOM 175 C VAL A 13 1.622 -3.260 -5.891 1.00 0.00 C ATOM 176 O VAL A 13 1.670 -2.368 -6.714 1.00 0.00 O ATOM 177 CB VAL A 13 -0.730 -2.867 -5.202 1.00 0.00 C ATOM 178 CG1 VAL A 13 -0.725 -1.560 -6.003 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.186 -4.017 -6.112 1.00 0.00 C ATOM 0 HA VAL A 13 0.723 -4.116 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.409 -2.767 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.733 -1.349 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.388 -0.743 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.051 -1.657 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.193 -3.814 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.503 -4.105 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.186 -4.949 -5.548 1.00 0.00 H new ATOM 189 N ASP A 14 2.345 -4.340 -5.968 1.00 0.00 N ATOM 190 CA ASP A 14 3.271 -4.502 -7.104 1.00 0.00 C ATOM 191 C ASP A 14 2.527 -5.159 -8.245 1.00 0.00 C ATOM 192 O ASP A 14 1.975 -6.232 -8.086 1.00 0.00 O ATOM 193 CB ASP A 14 4.434 -5.408 -6.670 1.00 0.00 C ATOM 194 CG ASP A 14 5.484 -5.448 -7.781 1.00 0.00 C ATOM 195 OD1 ASP A 14 5.077 -5.709 -8.901 1.00 0.00 O ATOM 196 OD2 ASP A 14 6.634 -5.215 -7.448 1.00 0.00 O ATOM 0 H ASP A 14 2.331 -5.108 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 14 3.656 -3.533 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.878 -5.033 -5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.069 -6.414 -6.462 1.00 0.00 H new ATOM 201 N THR A 15 2.522 -4.506 -9.376 1.00 0.00 N ATOM 202 CA THR A 15 1.816 -5.071 -10.540 1.00 0.00 C ATOM 203 C THR A 15 2.646 -4.920 -11.810 1.00 0.00 C ATOM 204 O THR A 15 2.543 -3.937 -12.516 1.00 0.00 O ATOM 205 CB THR A 15 0.497 -4.303 -10.697 1.00 0.00 C ATOM 206 OG1 THR A 15 0.861 -2.997 -11.099 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.177 -4.107 -9.331 1.00 0.00 C ATOM 0 H THR A 15 2.978 -3.608 -9.535 1.00 0.00 H new ATOM 0 HA THR A 15 1.639 -6.135 -10.382 1.00 0.00 H new ATOM 0 HB THR A 15 -0.161 -4.837 -11.383 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.193 -3.019 -12.021 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.111 -3.561 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.385 -5.080 -8.885 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.486 -3.542 -8.676 1.00 0.00 H new ATOM 215 N ALA A 16 3.460 -5.904 -12.075 1.00 0.00 N ATOM 216 CA ALA A 16 4.305 -5.851 -13.286 1.00 0.00 C ATOM 217 C ALA A 16 4.408 -7.233 -13.887 1.00 0.00 C ATOM 218 O ALA A 16 5.311 -7.983 -13.580 1.00 0.00 O ATOM 219 CB ALA A 16 5.713 -5.380 -12.884 1.00 0.00 C ATOM 0 H ALA A 16 3.572 -6.740 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 16 3.867 -5.166 -14.012 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.348 -5.336 -13.769 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.650 -4.390 -12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.139 -6.080 -12.165 1.00 0.00 H new ATOM 225 N ILE A 17 3.484 -7.547 -14.739 1.00 0.00 N ATOM 226 CA ILE A 17 3.508 -8.863 -15.365 1.00 0.00 C ATOM 227 C ILE A 17 2.612 -8.875 -16.619 1.00 0.00 C ATOM 228 O ILE A 17 3.085 -8.618 -17.709 1.00 0.00 O ATOM 229 CB ILE A 17 3.008 -9.863 -14.321 1.00 0.00 C ATOM 230 CG1 ILE A 17 2.726 -11.188 -14.971 1.00 0.00 C ATOM 231 CG2 ILE A 17 1.721 -9.319 -13.676 1.00 0.00 C ATOM 232 CD1 ILE A 17 3.918 -11.542 -15.847 1.00 0.00 C ATOM 0 H ILE A 17 2.715 -6.939 -15.022 1.00 0.00 H new ATOM 0 HA ILE A 17 4.515 -9.126 -15.690 1.00 0.00 H new ATOM 0 HB ILE A 17 3.773 -10.001 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.566 -11.957 -14.215 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.816 -11.134 -15.569 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.360 -10.028 -12.931 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.931 -8.363 -13.196 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.960 -9.180 -14.444 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.740 -12.502 -16.333 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.054 -10.771 -16.606 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.815 -11.607 -15.231 1.00 0.00 H new ATOM 244 N TYR A 18 1.347 -9.174 -16.454 1.00 0.00 N ATOM 245 CA TYR A 18 0.444 -9.193 -17.638 1.00 0.00 C ATOM 246 C TYR A 18 0.567 -7.879 -18.407 1.00 0.00 C ATOM 247 O TYR A 18 -0.042 -7.702 -19.443 1.00 0.00 O ATOM 248 CB TYR A 18 -1.013 -9.366 -17.171 1.00 0.00 C ATOM 249 CG TYR A 18 -1.089 -10.448 -16.085 1.00 0.00 C ATOM 250 CD1 TYR A 18 -1.126 -11.785 -16.430 1.00 0.00 C ATOM 251 CD2 TYR A 18 -1.132 -10.102 -14.751 1.00 0.00 C ATOM 252 CE1 TYR A 18 -1.202 -12.759 -15.454 1.00 0.00 C ATOM 253 CE2 TYR A 18 -1.209 -11.080 -13.774 1.00 0.00 C ATOM 254 CZ TYR A 18 -1.246 -12.414 -14.119 1.00 0.00 C ATOM 255 OH TYR A 18 -1.322 -13.388 -13.144 1.00 0.00 O ATOM 0 H TYR A 18 0.908 -9.402 -15.562 1.00 0.00 H new ATOM 0 HA TYR A 18 0.727 -10.022 -18.287 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.394 -8.421 -16.783 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.644 -9.641 -18.016 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.095 -12.071 -17.471 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.105 -9.061 -14.466 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.227 -13.801 -15.738 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.240 -10.795 -12.733 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.343 -12.965 -12.260 1.00 0.00 H new ATOM 265 N HIS A 19 1.319 -6.967 -17.827 1.00 0.00 N ATOM 266 CA HIS A 19 1.544 -5.621 -18.448 1.00 0.00 C ATOM 267 C HIS A 19 1.701 -5.668 -19.970 1.00 0.00 C ATOM 268 O HIS A 19 1.745 -4.628 -20.599 1.00 0.00 O ATOM 269 CB HIS A 19 2.837 -5.044 -17.845 1.00 0.00 C ATOM 270 CG HIS A 19 3.046 -3.615 -18.348 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.635 -3.167 -19.516 1.00 0.00 N flip ATOM 272 CD2 HIS A 19 2.697 -2.586 -17.737 1.00 0.00 C flip ATOM 273 CE1 HIS A 19 3.601 -1.808 -19.539 1.00 0.00 C flip ATOM 274 NE2 HIS A 19 2.995 -1.537 -18.382 1.00 0.00 N flip ATOM 0 H HIS A 19 1.793 -7.104 -16.934 1.00 0.00 H new ATOM 0 HA HIS A 19 0.667 -5.008 -18.240 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.777 -5.052 -16.757 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.688 -5.666 -18.122 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.202 -2.588 -16.777 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.967 -1.128 -20.294 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.794 -0.592 -18.054 1.00 0.00 H new ATOM 282 N HIS A 20 1.806 -6.854 -20.534 1.00 0.00 N ATOM 283 CA HIS A 20 1.961 -6.955 -22.018 1.00 0.00 C ATOM 284 C HIS A 20 1.170 -5.855 -22.719 1.00 0.00 C ATOM 285 O HIS A 20 1.744 -4.913 -23.231 1.00 0.00 O ATOM 286 CB HIS A 20 1.400 -8.316 -22.464 1.00 0.00 C ATOM 287 CG HIS A 20 2.010 -8.702 -23.819 1.00 0.00 C ATOM 288 ND1 HIS A 20 1.552 -8.364 -24.932 1.00 0.00 N ATOM 289 CD2 HIS A 20 3.129 -9.465 -24.100 1.00 0.00 C ATOM 290 CE1 HIS A 20 2.251 -8.824 -25.884 1.00 0.00 C ATOM 291 NE2 HIS A 20 3.286 -9.548 -25.451 1.00 0.00 N ATOM 0 H HIS A 20 1.791 -7.743 -20.034 1.00 0.00 H new ATOM 0 HA HIS A 20 3.015 -6.852 -22.277 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.630 -9.078 -21.719 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.314 -8.265 -22.543 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.775 -9.922 -23.365 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.034 -8.650 -26.928 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.004 -10.034 -25.989 1.00 0.00 H new ATOM 299 N LYS A 21 -0.134 -5.991 -22.729 1.00 0.00 N ATOM 300 CA LYS A 21 -0.968 -4.952 -23.392 1.00 0.00 C ATOM 301 C LYS A 21 -1.525 -3.973 -22.355 1.00 0.00 C ATOM 302 O LYS A 21 -1.069 -2.852 -22.240 1.00 0.00 O ATOM 303 CB LYS A 21 -2.143 -5.654 -24.091 1.00 0.00 C ATOM 304 CG LYS A 21 -1.613 -6.468 -25.270 1.00 0.00 C ATOM 305 CD LYS A 21 -2.675 -7.486 -25.693 1.00 0.00 C ATOM 306 CE LYS A 21 -2.212 -8.197 -26.966 1.00 0.00 C ATOM 307 NZ LYS A 21 -3.079 -9.375 -27.250 1.00 0.00 N ATOM 0 H LYS A 21 -0.647 -6.767 -22.312 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.359 -4.400 -24.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.663 -6.305 -23.388 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.867 -4.917 -24.439 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.371 -5.809 -26.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.692 -6.979 -24.990 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.838 -8.211 -24.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.627 -6.985 -25.868 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.242 -7.505 -27.808 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.177 -8.519 -26.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.751 -9.846 -28.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.030 -10.042 -26.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.062 -9.060 -27.378 1.00 0.00 H new ATOM 321 N LEU A 22 -2.509 -4.431 -21.618 1.00 0.00 N ATOM 322 CA LEU A 22 -3.130 -3.566 -20.574 1.00 0.00 C ATOM 323 C LEU A 22 -3.756 -4.426 -19.481 1.00 0.00 C ATOM 324 O LEU A 22 -4.475 -3.935 -18.627 1.00 0.00 O ATOM 325 CB LEU A 22 -4.219 -2.695 -21.235 1.00 0.00 C ATOM 326 CG LEU A 22 -5.470 -3.533 -21.520 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.547 -2.619 -22.101 1.00 0.00 C ATOM 328 CD2 LEU A 22 -5.133 -4.622 -22.540 1.00 0.00 C ATOM 0 H LEU A 22 -2.907 -5.367 -21.697 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.365 -2.933 -20.124 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.473 -1.860 -20.581 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.839 -2.269 -22.164 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.824 -3.996 -20.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.445 -3.201 -22.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.783 -1.833 -21.384 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.183 -2.170 -23.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.023 -5.218 -22.743 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.787 -4.160 -23.465 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.349 -5.265 -22.140 1.00 0.00 H new ATOM 340 N ARG A 23 -3.468 -5.700 -19.524 1.00 0.00 N ATOM 341 CA ARG A 23 -4.033 -6.606 -18.509 1.00 0.00 C ATOM 342 C ARG A 23 -3.632 -6.168 -17.123 1.00 0.00 C ATOM 343 O ARG A 23 -4.381 -6.334 -16.182 1.00 0.00 O ATOM 344 CB ARG A 23 -3.500 -8.028 -18.770 1.00 0.00 C ATOM 345 CG ARG A 23 -4.382 -8.723 -19.819 1.00 0.00 C ATOM 346 CD ARG A 23 -3.862 -8.380 -21.214 1.00 0.00 C ATOM 347 NE ARG A 23 -2.885 -9.421 -21.631 1.00 0.00 N ATOM 348 CZ ARG A 23 -3.280 -10.396 -22.397 1.00 0.00 C ATOM 349 NH1 ARG A 23 -4.005 -11.350 -21.880 1.00 0.00 N ATOM 350 NH2 ARG A 23 -2.939 -10.386 -23.655 1.00 0.00 N ATOM 0 H ARG A 23 -2.867 -6.142 -20.220 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.121 -6.587 -18.575 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.469 -7.982 -19.120 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.498 -8.602 -17.844 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.368 -9.802 -19.667 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.418 -8.400 -19.714 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.688 -8.332 -21.923 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.388 -7.398 -21.209 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.915 -9.371 -21.320 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.253 -11.323 -20.891 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.324 -12.122 -22.465 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.372 -9.623 -24.024 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.239 -11.142 -24.271 1.00 0.00 H new ATOM 364 N ASP A 24 -2.459 -5.616 -17.004 1.00 0.00 N ATOM 365 CA ASP A 24 -2.033 -5.174 -15.672 1.00 0.00 C ATOM 366 C ASP A 24 -2.923 -4.037 -15.219 1.00 0.00 C ATOM 367 O ASP A 24 -3.113 -3.819 -14.039 1.00 0.00 O ATOM 368 CB ASP A 24 -0.580 -4.691 -15.730 1.00 0.00 C ATOM 369 CG ASP A 24 -0.512 -3.368 -16.495 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.920 -3.387 -17.646 1.00 0.00 O ATOM 371 OD2 ASP A 24 -0.055 -2.414 -15.887 1.00 0.00 O ATOM 0 H ASP A 24 -1.795 -5.458 -17.762 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.109 -6.004 -14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.189 -4.560 -14.721 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.044 -5.439 -16.220 1.00 0.00 H new ATOM 376 N GLN A 25 -3.460 -3.328 -16.179 1.00 0.00 N ATOM 377 CA GLN A 25 -4.348 -2.197 -15.840 1.00 0.00 C ATOM 378 C GLN A 25 -5.644 -2.749 -15.337 1.00 0.00 C ATOM 379 O GLN A 25 -6.344 -2.118 -14.575 1.00 0.00 O ATOM 380 CB GLN A 25 -4.616 -1.371 -17.113 1.00 0.00 C ATOM 381 CG GLN A 25 -3.329 -1.259 -17.928 1.00 0.00 C ATOM 382 CD GLN A 25 -2.328 -0.371 -17.183 1.00 0.00 C ATOM 383 OE1 GLN A 25 -1.859 -0.709 -16.115 1.00 0.00 O ATOM 384 NE2 GLN A 25 -1.976 0.774 -17.709 1.00 0.00 N ATOM 0 H GLN A 25 -3.318 -3.489 -17.176 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.885 -1.566 -15.082 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.396 -1.844 -17.709 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.977 -0.378 -16.846 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.902 -2.249 -18.091 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.544 -0.838 -18.910 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.366 1.065 -18.606 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.312 1.376 -17.222 1.00 0.00 H new ATOM 393 N VAL A 26 -5.950 -3.925 -15.786 1.00 0.00 N ATOM 394 CA VAL A 26 -7.196 -4.555 -15.352 1.00 0.00 C ATOM 395 C VAL A 26 -7.018 -5.081 -13.945 1.00 0.00 C ATOM 396 O VAL A 26 -7.740 -4.709 -13.043 1.00 0.00 O ATOM 397 CB VAL A 26 -7.511 -5.716 -16.313 1.00 0.00 C ATOM 398 CG1 VAL A 26 -8.863 -6.315 -15.962 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.553 -5.182 -17.747 1.00 0.00 C ATOM 0 H VAL A 26 -5.384 -4.471 -16.436 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.016 -3.836 -15.362 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.741 -6.482 -16.225 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.085 -7.137 -16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.841 -6.688 -14.938 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.634 -5.550 -16.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.776 -5.999 -18.433 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.327 -4.419 -17.828 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.586 -4.747 -18.002 1.00 0.00 H new ATOM 409 N LEU A 27 -6.054 -5.934 -13.779 1.00 0.00 N ATOM 410 CA LEU A 27 -5.802 -6.495 -12.443 1.00 0.00 C ATOM 411 C LEU A 27 -5.666 -5.367 -11.440 1.00 0.00 C ATOM 412 O LEU A 27 -5.954 -5.526 -10.264 1.00 0.00 O ATOM 413 CB LEU A 27 -4.452 -7.262 -12.509 1.00 0.00 C ATOM 414 CG LEU A 27 -4.638 -8.729 -12.119 1.00 0.00 C ATOM 415 CD1 LEU A 27 -3.798 -9.601 -13.057 1.00 0.00 C ATOM 416 CD2 LEU A 27 -4.151 -8.928 -10.683 1.00 0.00 C ATOM 0 H LEU A 27 -5.431 -6.264 -14.516 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.619 -7.151 -12.143 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.042 -7.199 -13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.730 -6.793 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.690 -9.005 -12.195 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.923 -10.650 -12.788 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.125 -9.449 -14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.747 -9.326 -12.966 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.280 -9.972 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.096 -8.661 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.729 -8.293 -10.011 1.00 0.00 H new ATOM 428 N LYS A 28 -5.255 -4.234 -11.931 1.00 0.00 N ATOM 429 CA LYS A 28 -5.088 -3.078 -11.032 1.00 0.00 C ATOM 430 C LYS A 28 -6.390 -2.337 -10.914 1.00 0.00 C ATOM 431 O LYS A 28 -6.768 -1.897 -9.845 1.00 0.00 O ATOM 432 CB LYS A 28 -4.027 -2.144 -11.631 1.00 0.00 C ATOM 433 CG LYS A 28 -3.883 -0.915 -10.736 1.00 0.00 C ATOM 434 CD LYS A 28 -2.420 -0.473 -10.722 1.00 0.00 C ATOM 435 CE LYS A 28 -2.351 1.004 -10.340 1.00 0.00 C ATOM 436 NZ LYS A 28 -2.921 1.213 -8.980 1.00 0.00 N ATOM 0 H LYS A 28 -5.030 -4.065 -12.911 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.779 -3.418 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.072 -2.663 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.315 -1.844 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.516 -0.107 -11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.215 -1.146 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.852 -1.073 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.970 -0.630 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.316 1.345 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.901 1.601 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.673 2.165 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.956 1.118 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.532 0.502 -8.328 1.00 0.00 H new ATOM 450 N ALA A 29 -7.062 -2.208 -12.014 1.00 0.00 N ATOM 451 CA ALA A 29 -8.345 -1.497 -11.979 1.00 0.00 C ATOM 452 C ALA A 29 -9.342 -2.271 -11.145 1.00 0.00 C ATOM 453 O ALA A 29 -10.256 -1.717 -10.610 1.00 0.00 O ATOM 454 CB ALA A 29 -8.888 -1.376 -13.409 1.00 0.00 C ATOM 0 H ALA A 29 -6.776 -2.563 -12.927 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.196 -0.509 -11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.842 -0.849 -13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.177 -0.822 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.031 -2.371 -13.829 1.00 0.00 H new ATOM 460 N LEU A 30 -9.143 -3.546 -11.036 1.00 0.00 N ATOM 461 CA LEU A 30 -10.089 -4.333 -10.236 1.00 0.00 C ATOM 462 C LEU A 30 -9.774 -4.199 -8.775 1.00 0.00 C ATOM 463 O LEU A 30 -10.603 -3.816 -7.995 1.00 0.00 O ATOM 464 CB LEU A 30 -9.965 -5.802 -10.636 1.00 0.00 C ATOM 465 CG LEU A 30 -10.443 -5.954 -12.072 1.00 0.00 C ATOM 466 CD1 LEU A 30 -9.732 -7.130 -12.718 1.00 0.00 C ATOM 467 CD2 LEU A 30 -11.949 -6.206 -12.080 1.00 0.00 C ATOM 0 H LEU A 30 -8.376 -4.067 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.101 -3.969 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.931 -6.133 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.560 -6.427 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.222 -5.043 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.073 -7.241 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.656 -6.954 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.955 -8.040 -12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.294 -6.315 -13.108 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.168 -7.118 -11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.461 -5.365 -11.613 1.00 0.00 H new ATOM 479 N TYR A 31 -8.564 -4.474 -8.440 1.00 0.00 N ATOM 480 CA TYR A 31 -8.164 -4.377 -7.028 1.00 0.00 C ATOM 481 C TYR A 31 -8.322 -2.969 -6.427 1.00 0.00 C ATOM 482 O TYR A 31 -8.909 -2.810 -5.376 1.00 0.00 O ATOM 483 CB TYR A 31 -6.690 -4.765 -6.936 1.00 0.00 C ATOM 484 CG TYR A 31 -6.231 -4.600 -5.497 1.00 0.00 C ATOM 485 CD1 TYR A 31 -6.641 -5.488 -4.528 1.00 0.00 C ATOM 486 CD2 TYR A 31 -5.401 -3.559 -5.147 1.00 0.00 C ATOM 487 CE1 TYR A 31 -6.228 -5.339 -3.227 1.00 0.00 C ATOM 488 CE2 TYR A 31 -4.986 -3.407 -3.846 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.397 -4.297 -2.871 1.00 0.00 C ATOM 490 OH TYR A 31 -4.974 -4.155 -1.565 1.00 0.00 O ATOM 0 H TYR A 31 -7.829 -4.764 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.820 -5.038 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.550 -5.796 -7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.092 -4.138 -7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.292 -6.308 -4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.074 -2.857 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.556 -6.043 -2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.334 -2.587 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.394 -3.369 -1.493 1.00 0.00 H new ATOM 500 N ASP A 32 -7.805 -1.984 -7.098 1.00 0.00 N ATOM 501 CA ASP A 32 -7.916 -0.585 -6.561 1.00 0.00 C ATOM 502 C ASP A 32 -9.259 0.117 -6.804 1.00 0.00 C ATOM 503 O ASP A 32 -9.678 0.888 -5.973 1.00 0.00 O ATOM 504 CB ASP A 32 -6.799 0.251 -7.210 1.00 0.00 C ATOM 505 CG ASP A 32 -6.959 1.716 -6.799 1.00 0.00 C ATOM 506 OD1 ASP A 32 -7.167 1.927 -5.616 1.00 0.00 O ATOM 507 OD2 ASP A 32 -6.864 2.542 -7.692 1.00 0.00 O ATOM 0 H ASP A 32 -7.313 -2.075 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.829 -0.666 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.823 -0.121 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.844 0.159 -8.295 1.00 0.00 H new ATOM 512 N VAL A 33 -9.917 -0.131 -7.898 1.00 0.00 N ATOM 513 CA VAL A 33 -11.218 0.577 -8.095 1.00 0.00 C ATOM 514 C VAL A 33 -12.305 -0.034 -7.241 1.00 0.00 C ATOM 515 O VAL A 33 -13.327 0.582 -7.005 1.00 0.00 O ATOM 516 CB VAL A 33 -11.635 0.501 -9.568 1.00 0.00 C ATOM 517 CG1 VAL A 33 -12.754 1.511 -9.821 1.00 0.00 C ATOM 518 CG2 VAL A 33 -10.435 0.857 -10.453 1.00 0.00 C ATOM 0 H VAL A 33 -9.629 -0.767 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.083 1.617 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.980 -0.506 -9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.057 1.464 -10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.607 1.276 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.397 2.515 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.728 0.804 -11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.099 1.867 -10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.624 0.153 -10.267 1.00 0.00 H new ATOM 528 N LEU A 34 -12.082 -1.233 -6.787 1.00 0.00 N ATOM 529 CA LEU A 34 -13.105 -1.877 -5.949 1.00 0.00 C ATOM 530 C LEU A 34 -12.875 -1.537 -4.493 1.00 0.00 C ATOM 531 O LEU A 34 -13.774 -1.129 -3.800 1.00 0.00 O ATOM 532 CB LEU A 34 -12.986 -3.385 -6.105 1.00 0.00 C ATOM 533 CG LEU A 34 -13.724 -3.841 -7.368 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.377 -5.308 -7.648 1.00 0.00 C ATOM 535 CD2 LEU A 34 -15.235 -3.719 -7.144 1.00 0.00 C ATOM 0 H LEU A 34 -11.242 -1.784 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.090 -1.527 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.936 -3.671 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.403 -3.883 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.426 -3.220 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.898 -5.640 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.302 -5.406 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.684 -5.922 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.763 -4.043 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.530 -4.346 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.488 -2.681 -6.929 1.00 0.00 H new ATOM 547 N ALA A 35 -11.659 -1.708 -4.053 1.00 0.00 N ATOM 548 CA ALA A 35 -11.352 -1.400 -2.639 1.00 0.00 C ATOM 549 C ALA A 35 -11.339 0.103 -2.413 1.00 0.00 C ATOM 550 O ALA A 35 -11.385 0.572 -1.293 1.00 0.00 O ATOM 551 CB ALA A 35 -9.959 -1.957 -2.312 1.00 0.00 C ATOM 0 H ALA A 35 -10.874 -2.045 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.113 -1.849 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.715 -1.739 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.953 -3.036 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.219 -1.492 -2.963 1.00 0.00 H new ATOM 557 N LYS A 36 -11.280 0.821 -3.493 1.00 0.00 N ATOM 558 CA LYS A 36 -11.259 2.306 -3.415 1.00 0.00 C ATOM 559 C LYS A 36 -12.076 2.892 -2.243 1.00 0.00 C ATOM 560 O LYS A 36 -11.506 3.479 -1.346 1.00 0.00 O ATOM 561 CB LYS A 36 -11.840 2.862 -4.733 1.00 0.00 C ATOM 562 CG LYS A 36 -11.972 4.387 -4.627 1.00 0.00 C ATOM 563 CD LYS A 36 -11.277 5.046 -5.824 1.00 0.00 C ATOM 564 CE LYS A 36 -11.344 6.570 -5.663 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.995 7.126 -5.352 1.00 0.00 N ATOM 0 H LYS A 36 -11.245 0.440 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.222 2.598 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.192 2.599 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.814 2.414 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.024 4.671 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.526 4.737 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.239 4.719 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.760 4.744 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.727 7.021 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.041 6.826 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.061 8.159 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.644 6.709 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.339 6.898 -6.126 1.00 0.00 H new ATOM 579 N GLU A 37 -13.386 2.724 -2.258 1.00 0.00 N ATOM 580 CA GLU A 37 -14.197 3.299 -1.123 1.00 0.00 C ATOM 581 C GLU A 37 -14.522 2.322 0.018 1.00 0.00 C ATOM 582 O GLU A 37 -13.916 2.386 1.070 1.00 0.00 O ATOM 583 CB GLU A 37 -15.522 3.790 -1.717 1.00 0.00 C ATOM 584 CG GLU A 37 -16.310 4.544 -0.643 1.00 0.00 C ATOM 585 CD GLU A 37 -15.463 5.698 -0.105 1.00 0.00 C ATOM 586 OE1 GLU A 37 -14.901 6.390 -0.937 1.00 0.00 O ATOM 587 OE2 GLU A 37 -15.426 5.823 1.108 1.00 0.00 O ATOM 0 H GLU A 37 -13.914 2.232 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.589 4.085 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.332 4.442 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.104 2.945 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.241 4.926 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.579 3.867 0.168 1.00 0.00 H new ATOM 594 N SER A 38 -15.465 1.438 -0.194 1.00 0.00 N ATOM 595 CA SER A 38 -15.802 0.479 0.905 1.00 0.00 C ATOM 596 C SER A 38 -16.395 -0.813 0.386 1.00 0.00 C ATOM 597 O SER A 38 -17.315 -1.353 0.969 1.00 0.00 O ATOM 598 CB SER A 38 -16.827 1.147 1.835 1.00 0.00 C ATOM 599 OG SER A 38 -17.023 0.196 2.871 1.00 0.00 O ATOM 0 H SER A 38 -16.003 1.338 -1.055 1.00 0.00 H new ATOM 0 HA SER A 38 -14.878 0.233 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.453 2.093 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.758 1.365 1.312 1.00 0.00 H new ATOM 0 HG SER A 38 -17.497 -0.584 2.514 1.00 0.00 H new ATOM 605 N GLU A 39 -15.871 -1.278 -0.678 1.00 0.00 N ATOM 606 CA GLU A 39 -16.377 -2.533 -1.266 1.00 0.00 C ATOM 607 C GLU A 39 -15.535 -3.714 -0.804 1.00 0.00 C ATOM 608 O GLU A 39 -15.817 -4.846 -1.119 1.00 0.00 O ATOM 609 CB GLU A 39 -16.290 -2.393 -2.781 1.00 0.00 C ATOM 610 CG GLU A 39 -16.456 -0.909 -3.136 1.00 0.00 C ATOM 611 CD GLU A 39 -16.430 -0.743 -4.659 1.00 0.00 C ATOM 612 OE1 GLU A 39 -17.260 -1.379 -5.287 1.00 0.00 O ATOM 613 OE2 GLU A 39 -15.579 0.011 -5.106 1.00 0.00 O ATOM 0 H GLU A 39 -15.099 -0.843 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.405 -2.713 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.332 -2.765 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.066 -2.988 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.396 -0.531 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.657 -0.324 -2.682 1.00 0.00 H new ATOM 620 N HIS A 40 -14.495 -3.411 -0.088 1.00 0.00 N ATOM 621 CA HIS A 40 -13.604 -4.486 0.409 1.00 0.00 C ATOM 622 C HIS A 40 -14.229 -5.409 1.476 1.00 0.00 C ATOM 623 O HIS A 40 -14.012 -6.603 1.444 1.00 0.00 O ATOM 624 CB HIS A 40 -12.347 -3.828 1.002 1.00 0.00 C ATOM 625 CG HIS A 40 -11.123 -4.694 0.698 1.00 0.00 C ATOM 626 ND1 HIS A 40 -10.063 -4.273 0.197 1.00 0.00 N ATOM 627 CD2 HIS A 40 -10.917 -6.044 0.916 1.00 0.00 C ATOM 628 CE1 HIS A 40 -9.205 -5.198 0.075 1.00 0.00 C ATOM 629 NE2 HIS A 40 -9.661 -6.374 0.510 1.00 0.00 N ATOM 0 H HIS A 40 -14.223 -2.464 0.175 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.386 -5.126 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.213 -2.831 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.461 -3.707 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.638 -6.727 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.217 -5.051 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.193 -7.280 0.532 1.00 0.00 H new ATOM 637 N PRO A 41 -14.988 -4.861 2.406 1.00 0.00 N ATOM 638 CA PRO A 41 -15.597 -5.690 3.446 1.00 0.00 C ATOM 639 C PRO A 41 -16.562 -6.782 2.908 1.00 0.00 C ATOM 640 O PRO A 41 -16.432 -7.934 3.270 1.00 0.00 O ATOM 641 CB PRO A 41 -16.333 -4.699 4.380 1.00 0.00 C ATOM 642 CG PRO A 41 -16.068 -3.257 3.823 1.00 0.00 C ATOM 643 CD PRO A 41 -15.269 -3.415 2.505 1.00 0.00 C ATOM 0 HA PRO A 41 -14.825 -6.262 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.402 -4.913 4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.968 -4.790 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.008 -2.735 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.507 -2.663 4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.845 -3.064 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -14.347 -2.834 2.529 1.00 0.00 H new ATOM 651 N PRO A 42 -17.510 -6.416 2.055 1.00 0.00 N ATOM 652 CA PRO A 42 -18.455 -7.394 1.512 1.00 0.00 C ATOM 653 C PRO A 42 -17.896 -8.134 0.291 1.00 0.00 C ATOM 654 O PRO A 42 -17.427 -9.251 0.381 1.00 0.00 O ATOM 655 CB PRO A 42 -19.649 -6.536 1.048 1.00 0.00 C ATOM 656 CG PRO A 42 -19.128 -5.068 0.937 1.00 0.00 C ATOM 657 CD PRO A 42 -17.735 -5.036 1.603 1.00 0.00 C ATOM 0 HA PRO A 42 -18.696 -8.153 2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -20.028 -6.886 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -20.473 -6.602 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -19.065 -4.758 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.810 -4.378 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.966 -4.719 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.711 -4.336 2.438 1.00 0.00 H new ATOM 665 N GLN A 43 -17.969 -7.465 -0.820 1.00 0.00 N ATOM 666 CA GLN A 43 -17.478 -8.032 -2.106 1.00 0.00 C ATOM 667 C GLN A 43 -16.232 -8.929 -1.999 1.00 0.00 C ATOM 668 O GLN A 43 -16.201 -9.973 -2.616 1.00 0.00 O ATOM 669 CB GLN A 43 -17.155 -6.861 -3.020 1.00 0.00 C ATOM 670 CG GLN A 43 -18.221 -5.783 -2.831 1.00 0.00 C ATOM 671 CD GLN A 43 -18.262 -4.913 -4.074 1.00 0.00 C ATOM 672 OE1 GLN A 43 -17.374 -5.108 -5.001 1.00 0.00 O flip ATOM 673 NE2 GLN A 43 -19.098 -4.046 -4.213 1.00 0.00 N flip ATOM 0 H GLN A 43 -18.358 -6.525 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 43 -18.268 -8.680 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.168 -6.461 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.129 -7.189 -4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -19.195 -6.241 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -17.994 -5.177 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -19.797 -3.890 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -19.102 -3.472 -5.056 1.00 0.00 H new ATOM 682 N SER A 44 -15.222 -8.516 -1.252 1.00 0.00 N ATOM 683 CA SER A 44 -14.001 -9.381 -1.143 1.00 0.00 C ATOM 684 C SER A 44 -13.164 -9.211 -2.401 1.00 0.00 C ATOM 685 O SER A 44 -12.844 -10.161 -3.086 1.00 0.00 O ATOM 686 CB SER A 44 -14.435 -10.859 -0.984 1.00 0.00 C ATOM 687 OG SER A 44 -13.433 -11.428 -0.154 1.00 0.00 O ATOM 0 H SER A 44 -15.193 -7.641 -0.728 1.00 0.00 H new ATOM 0 HA SER A 44 -13.409 -9.091 -0.275 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.422 -10.938 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.488 -11.365 -1.948 1.00 0.00 H new ATOM 0 HG SER A 44 -13.635 -12.375 0.000 1.00 0.00 H new ATOM 693 N ILE A 45 -12.823 -7.969 -2.670 1.00 0.00 N ATOM 694 CA ILE A 45 -12.006 -7.648 -3.868 1.00 0.00 C ATOM 695 C ILE A 45 -11.000 -8.702 -4.158 1.00 0.00 C ATOM 696 O ILE A 45 -10.899 -9.184 -5.269 1.00 0.00 O ATOM 697 CB ILE A 45 -11.221 -6.373 -3.606 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.947 -5.477 -2.626 1.00 0.00 C ATOM 699 CG2 ILE A 45 -11.046 -5.652 -4.928 1.00 0.00 C ATOM 700 CD1 ILE A 45 -13.434 -5.352 -3.008 1.00 0.00 C ATOM 0 H ILE A 45 -13.083 -7.164 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.695 -7.555 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.254 -6.624 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.857 -5.883 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.484 -4.490 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.485 -4.731 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.503 -6.293 -5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.025 -5.413 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.940 -4.704 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.518 -4.925 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.897 -6.339 -2.995 1.00 0.00 H new ATOM 712 N LEU A 46 -10.257 -9.037 -3.163 1.00 0.00 N ATOM 713 CA LEU A 46 -9.242 -10.061 -3.369 1.00 0.00 C ATOM 714 C LEU A 46 -9.852 -11.228 -4.106 1.00 0.00 C ATOM 715 O LEU A 46 -9.359 -11.656 -5.125 1.00 0.00 O ATOM 716 CB LEU A 46 -8.734 -10.531 -1.994 1.00 0.00 C ATOM 717 CG LEU A 46 -7.258 -10.925 -2.101 1.00 0.00 C ATOM 718 CD1 LEU A 46 -7.091 -11.935 -3.234 1.00 0.00 C ATOM 719 CD2 LEU A 46 -6.420 -9.680 -2.401 1.00 0.00 C ATOM 0 H LEU A 46 -10.312 -8.646 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.415 -9.658 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.857 -9.736 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.324 -11.380 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.926 -11.368 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.042 -12.220 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.692 -12.820 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.420 -11.487 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.369 -9.959 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.748 -9.239 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.545 -8.955 -1.597 1.00 0.00 H new ATOM 731 N HIS A 47 -10.949 -11.679 -3.597 1.00 0.00 N ATOM 732 CA HIS A 47 -11.644 -12.819 -4.222 1.00 0.00 C ATOM 733 C HIS A 47 -12.293 -12.453 -5.556 1.00 0.00 C ATOM 734 O HIS A 47 -12.056 -13.095 -6.559 1.00 0.00 O ATOM 735 CB HIS A 47 -12.742 -13.263 -3.243 1.00 0.00 C ATOM 736 CG HIS A 47 -12.745 -14.792 -3.146 1.00 0.00 C ATOM 737 ND1 HIS A 47 -12.268 -15.446 -2.195 1.00 0.00 N ATOM 738 CD2 HIS A 47 -13.237 -15.733 -4.030 1.00 0.00 C ATOM 739 CE1 HIS A 47 -12.403 -16.694 -2.375 1.00 0.00 C ATOM 740 NE2 HIS A 47 -13.015 -16.979 -3.527 1.00 0.00 N ATOM 0 H HIS A 47 -11.400 -11.302 -2.764 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.918 -13.606 -4.426 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.568 -12.825 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.714 -12.907 -3.583 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.721 -15.515 -4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.061 -17.442 -1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.253 -17.888 -3.924 1.00 0.00 H new ATOM 748 N THR A 48 -13.094 -11.437 -5.546 1.00 0.00 N ATOM 749 CA THR A 48 -13.769 -11.020 -6.805 1.00 0.00 C ATOM 750 C THR A 48 -12.780 -10.752 -7.938 1.00 0.00 C ATOM 751 O THR A 48 -12.800 -11.424 -8.950 1.00 0.00 O ATOM 752 CB THR A 48 -14.546 -9.731 -6.524 1.00 0.00 C ATOM 753 OG1 THR A 48 -15.529 -10.090 -5.576 1.00 0.00 O ATOM 754 CG2 THR A 48 -15.343 -9.290 -7.761 1.00 0.00 C ATOM 0 H THR A 48 -13.314 -10.874 -4.725 1.00 0.00 H new ATOM 0 HA THR A 48 -14.423 -11.832 -7.122 1.00 0.00 H new ATOM 0 HB THR A 48 -13.858 -8.944 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.250 -9.790 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.886 -8.372 -7.536 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.659 -9.112 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.051 -10.072 -8.036 1.00 0.00 H new ATOM 762 N ALA A 49 -11.938 -9.782 -7.753 1.00 0.00 N ATOM 763 CA ALA A 49 -10.948 -9.460 -8.815 1.00 0.00 C ATOM 764 C ALA A 49 -10.167 -10.697 -9.283 1.00 0.00 C ATOM 765 O ALA A 49 -9.763 -10.761 -10.426 1.00 0.00 O ATOM 766 CB ALA A 49 -9.961 -8.419 -8.259 1.00 0.00 C ATOM 0 H ALA A 49 -11.890 -9.199 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.490 -9.073 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.226 -8.170 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.505 -7.519 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.452 -8.830 -7.387 1.00 0.00 H new ATOM 772 N LYS A 50 -9.960 -11.662 -8.411 1.00 0.00 N ATOM 773 CA LYS A 50 -9.195 -12.873 -8.861 1.00 0.00 C ATOM 774 C LYS A 50 -9.973 -13.742 -9.837 1.00 0.00 C ATOM 775 O LYS A 50 -9.397 -14.303 -10.748 1.00 0.00 O ATOM 776 CB LYS A 50 -8.881 -13.753 -7.645 1.00 0.00 C ATOM 777 CG LYS A 50 -7.441 -14.261 -7.746 1.00 0.00 C ATOM 778 CD LYS A 50 -7.247 -15.412 -6.755 1.00 0.00 C ATOM 779 CE LYS A 50 -5.858 -16.025 -6.959 1.00 0.00 C ATOM 780 NZ LYS A 50 -4.973 -15.703 -5.805 1.00 0.00 N ATOM 0 H LYS A 50 -10.275 -11.666 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.298 -12.501 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.014 -13.183 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.573 -14.594 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.231 -14.599 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.741 -13.454 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.350 -15.049 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.017 -16.169 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.943 -17.106 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.417 -15.644 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.035 -16.126 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.878 -14.671 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.387 -16.087 -4.932 1.00 0.00 H new ATOM 794 N ALA A 51 -11.259 -13.842 -9.646 1.00 0.00 N ATOM 795 CA ALA A 51 -12.047 -14.691 -10.575 1.00 0.00 C ATOM 796 C ALA A 51 -12.577 -13.952 -11.810 1.00 0.00 C ATOM 797 O ALA A 51 -12.923 -14.584 -12.789 1.00 0.00 O ATOM 798 CB ALA A 51 -13.246 -15.257 -9.801 1.00 0.00 C ATOM 0 H ALA A 51 -11.787 -13.383 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.373 -15.465 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.842 -15.886 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.889 -15.852 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.860 -14.436 -9.430 1.00 0.00 H new ATOM 804 N ILE A 52 -12.637 -12.649 -11.759 1.00 0.00 N ATOM 805 CA ILE A 52 -13.155 -11.898 -12.951 1.00 0.00 C ATOM 806 C ILE A 52 -12.032 -11.406 -13.872 1.00 0.00 C ATOM 807 O ILE A 52 -12.160 -11.444 -15.076 1.00 0.00 O ATOM 808 CB ILE A 52 -13.940 -10.685 -12.439 1.00 0.00 C ATOM 809 CG1 ILE A 52 -15.361 -11.101 -12.071 1.00 0.00 C ATOM 810 CG2 ILE A 52 -14.014 -9.637 -13.560 1.00 0.00 C ATOM 811 CD1 ILE A 52 -15.358 -11.702 -10.664 1.00 0.00 C ATOM 0 H ILE A 52 -12.357 -12.076 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.780 -12.574 -13.534 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.441 -10.277 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.027 -10.239 -12.110 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.738 -11.828 -12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.570 -8.768 -13.209 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.006 -9.333 -13.841 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.519 -10.065 -14.426 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.371 -12.002 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.704 -12.573 -10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.997 -10.960 -9.952 1.00 0.00 H new ATOM 823 N GLU A 53 -10.967 -10.959 -13.287 1.00 0.00 N ATOM 824 CA GLU A 53 -9.815 -10.451 -14.095 1.00 0.00 C ATOM 825 C GLU A 53 -9.581 -11.234 -15.400 1.00 0.00 C ATOM 826 O GLU A 53 -9.837 -10.737 -16.479 1.00 0.00 O ATOM 827 CB GLU A 53 -8.552 -10.575 -13.215 1.00 0.00 C ATOM 828 CG GLU A 53 -7.295 -10.170 -14.010 1.00 0.00 C ATOM 829 CD GLU A 53 -6.115 -11.029 -13.544 1.00 0.00 C ATOM 830 OE1 GLU A 53 -6.031 -11.229 -12.342 1.00 0.00 O ATOM 831 OE2 GLU A 53 -5.369 -11.443 -14.417 1.00 0.00 O ATOM 0 H GLU A 53 -10.835 -10.920 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.036 -9.424 -14.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.652 -9.940 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.449 -11.600 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.464 -10.309 -15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.076 -9.113 -13.856 1.00 0.00 H new ATOM 838 N SER A 54 -9.100 -12.431 -15.268 1.00 0.00 N ATOM 839 CA SER A 54 -8.833 -13.263 -16.477 1.00 0.00 C ATOM 840 C SER A 54 -10.085 -13.556 -17.305 1.00 0.00 C ATOM 841 O SER A 54 -9.981 -14.084 -18.398 1.00 0.00 O ATOM 842 CB SER A 54 -8.238 -14.596 -16.003 1.00 0.00 C ATOM 843 OG SER A 54 -8.380 -15.460 -17.120 1.00 0.00 O ATOM 0 H SER A 54 -8.878 -12.875 -14.377 1.00 0.00 H new ATOM 0 HA SER A 54 -8.154 -12.704 -17.120 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.192 -14.485 -15.716 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.768 -14.981 -15.132 1.00 0.00 H new ATOM 0 HG SER A 54 -8.448 -14.927 -17.939 1.00 0.00 H new ATOM 849 N GLU A 55 -11.237 -13.213 -16.794 1.00 0.00 N ATOM 850 CA GLU A 55 -12.481 -13.488 -17.573 1.00 0.00 C ATOM 851 C GLU A 55 -12.954 -12.301 -18.405 1.00 0.00 C ATOM 852 O GLU A 55 -13.534 -12.489 -19.455 1.00 0.00 O ATOM 853 CB GLU A 55 -13.594 -13.876 -16.584 1.00 0.00 C ATOM 854 CG GLU A 55 -13.685 -15.404 -16.498 1.00 0.00 C ATOM 855 CD GLU A 55 -14.999 -15.798 -15.815 1.00 0.00 C ATOM 856 OE1 GLU A 55 -15.596 -14.906 -15.234 1.00 0.00 O ATOM 857 OE2 GLU A 55 -15.330 -16.968 -15.915 1.00 0.00 O ATOM 0 H GLU A 55 -11.371 -12.763 -15.889 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.254 -14.292 -18.273 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.384 -13.457 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.548 -13.461 -16.911 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.637 -15.839 -17.496 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.838 -15.799 -15.937 1.00 0.00 H new ATOM 864 N MET A 56 -12.710 -11.112 -17.951 1.00 0.00 N ATOM 865 CA MET A 56 -13.166 -9.956 -18.750 1.00 0.00 C ATOM 866 C MET A 56 -12.150 -9.605 -19.825 1.00 0.00 C ATOM 867 O MET A 56 -12.448 -8.862 -20.740 1.00 0.00 O ATOM 868 CB MET A 56 -13.348 -8.748 -17.814 1.00 0.00 C ATOM 869 CG MET A 56 -12.146 -8.641 -16.874 1.00 0.00 C ATOM 870 SD MET A 56 -11.801 -7.017 -16.156 1.00 0.00 S ATOM 871 CE MET A 56 -11.415 -6.179 -17.703 1.00 0.00 C ATOM 0 H MET A 56 -12.225 -10.893 -17.081 1.00 0.00 H new ATOM 0 HA MET A 56 -14.108 -10.212 -19.235 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.447 -7.834 -18.399 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.266 -8.858 -17.236 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.292 -9.348 -16.057 1.00 0.00 H new ATOM 0 HG3 MET A 56 -11.260 -8.964 -17.420 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.868 -5.260 -17.492 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.803 -6.830 -18.327 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.340 -5.939 -18.227 1.00 0.00 H new ATOM 881 N ASN A 57 -10.963 -10.149 -19.698 1.00 0.00 N ATOM 882 CA ASN A 57 -9.905 -9.850 -20.718 1.00 0.00 C ATOM 883 C ASN A 57 -9.762 -10.966 -21.754 1.00 0.00 C ATOM 884 O ASN A 57 -9.050 -10.811 -22.726 1.00 0.00 O ATOM 885 CB ASN A 57 -8.566 -9.660 -20.001 1.00 0.00 C ATOM 886 CG ASN A 57 -8.207 -10.938 -19.244 1.00 0.00 C ATOM 887 OD1 ASN A 57 -8.821 -11.971 -19.423 1.00 0.00 O ATOM 888 ND2 ASN A 57 -7.224 -10.912 -18.389 1.00 0.00 N ATOM 0 H ASN A 57 -10.683 -10.778 -18.945 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.201 -8.945 -21.248 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.785 -9.421 -20.723 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.628 -8.820 -19.309 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.973 -11.756 -17.874 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.705 -10.048 -18.235 1.00 0.00 H new ATOM 895 N LYS A 58 -10.428 -12.077 -21.516 1.00 0.00 N ATOM 896 CA LYS A 58 -10.342 -13.224 -22.479 1.00 0.00 C ATOM 897 C LYS A 58 -10.214 -12.744 -23.928 1.00 0.00 C ATOM 898 O LYS A 58 -9.289 -13.117 -24.622 1.00 0.00 O ATOM 899 CB LYS A 58 -11.627 -14.065 -22.344 1.00 0.00 C ATOM 900 CG LYS A 58 -11.698 -15.085 -23.489 1.00 0.00 C ATOM 901 CD LYS A 58 -10.445 -15.969 -23.462 1.00 0.00 C ATOM 902 CE LYS A 58 -10.636 -17.145 -24.428 1.00 0.00 C ATOM 903 NZ LYS A 58 -11.668 -18.086 -23.910 1.00 0.00 N ATOM 0 H LYS A 58 -11.022 -12.237 -20.703 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.454 -13.810 -22.241 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.637 -14.580 -21.383 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.502 -13.416 -22.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.592 -15.700 -23.388 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.772 -14.569 -24.446 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.569 -15.387 -23.748 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.267 -16.338 -22.452 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.934 -16.773 -25.408 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.691 -17.671 -24.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.522 -19.027 -24.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.589 -18.152 -22.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.614 -17.737 -24.164 1.00 0.00 H new ATOM 917 N VAL A 59 -11.141 -11.926 -24.354 1.00 0.00 N ATOM 918 CA VAL A 59 -11.084 -11.413 -25.752 1.00 0.00 C ATOM 919 C VAL A 59 -11.514 -9.954 -25.804 1.00 0.00 C ATOM 920 O VAL A 59 -12.509 -9.579 -25.216 1.00 0.00 O ATOM 921 CB VAL A 59 -12.043 -12.245 -26.618 1.00 0.00 C ATOM 922 CG1 VAL A 59 -13.455 -12.168 -26.033 1.00 0.00 C ATOM 923 CG2 VAL A 59 -12.054 -11.680 -28.039 1.00 0.00 C ATOM 0 H VAL A 59 -11.929 -11.594 -23.798 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.061 -11.492 -26.121 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.713 -13.284 -26.636 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.136 -12.758 -26.647 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.450 -12.561 -25.016 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.787 -11.130 -26.019 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.733 -12.266 -28.658 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.388 -10.643 -28.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.049 -11.728 -28.457 1.00 0.00 H new ATOM 933 N ASN A 60 -10.756 -9.148 -26.503 1.00 0.00 N ATOM 934 CA ASN A 60 -11.121 -7.711 -26.589 1.00 0.00 C ATOM 935 C ASN A 60 -10.657 -7.081 -27.904 1.00 0.00 C ATOM 936 O ASN A 60 -9.965 -7.698 -28.690 1.00 0.00 O ATOM 937 CB ASN A 60 -10.440 -6.983 -25.425 1.00 0.00 C ATOM 938 CG ASN A 60 -8.990 -7.455 -25.312 1.00 0.00 C ATOM 939 OD1 ASN A 60 -8.444 -8.071 -26.325 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 -8.342 -7.269 -24.302 1.00 0.00 N flip ATOM 0 H ASN A 60 -9.914 -9.421 -27.009 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.206 -7.623 -26.543 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.472 -5.905 -25.586 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.973 -7.182 -24.495 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.763 -6.788 -23.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.376 -7.594 -24.249 1.00 0.00 H new ATOM 947 N ASN A 61 -11.056 -5.851 -28.108 1.00 0.00 N ATOM 948 CA ASN A 61 -10.669 -5.131 -29.350 1.00 0.00 C ATOM 949 C ASN A 61 -9.330 -4.439 -29.179 1.00 0.00 C ATOM 950 O ASN A 61 -8.813 -3.871 -30.104 1.00 0.00 O ATOM 951 CB ASN A 61 -11.734 -4.067 -29.652 1.00 0.00 C ATOM 952 CG ASN A 61 -13.075 -4.758 -29.861 1.00 0.00 C ATOM 953 OD1 ASN A 61 -13.285 -5.860 -29.408 1.00 0.00 O ATOM 954 ND2 ASN A 61 -14.010 -4.148 -30.538 1.00 0.00 N ATOM 0 H ASN A 61 -11.636 -5.316 -27.462 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.592 -5.852 -30.164 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.801 -3.356 -28.829 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.459 -3.500 -30.542 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.913 -4.601 -30.683 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.838 -3.219 -30.922 1.00 0.00 H new ATOM 961 N CYS A 62 -8.826 -4.472 -27.976 1.00 0.00 N ATOM 962 CA CYS A 62 -7.512 -3.824 -27.680 1.00 0.00 C ATOM 963 C CYS A 62 -6.507 -3.938 -28.842 1.00 0.00 C ATOM 964 O CYS A 62 -5.570 -3.168 -28.917 1.00 0.00 O ATOM 965 CB CYS A 62 -6.913 -4.524 -26.453 1.00 0.00 C ATOM 966 SG CYS A 62 -5.956 -6.032 -26.745 1.00 0.00 S ATOM 0 H CYS A 62 -9.271 -4.924 -27.177 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.692 -2.762 -27.512 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.270 -3.811 -25.938 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.728 -4.768 -25.772 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.738 -7.066 -26.655 1.00 0.00 H new ATOM 972 N ASP A 63 -6.711 -4.883 -29.722 1.00 0.00 N ATOM 973 CA ASP A 63 -5.757 -5.026 -30.862 1.00 0.00 C ATOM 974 C ASP A 63 -6.179 -4.161 -32.053 1.00 0.00 C ATOM 975 O ASP A 63 -5.664 -4.309 -33.145 1.00 0.00 O ATOM 976 CB ASP A 63 -5.742 -6.500 -31.301 1.00 0.00 C ATOM 977 CG ASP A 63 -7.174 -6.971 -31.560 1.00 0.00 C ATOM 978 OD1 ASP A 63 -8.051 -6.134 -31.427 1.00 0.00 O ATOM 979 OD2 ASP A 63 -7.310 -8.141 -31.876 1.00 0.00 O ATOM 0 H ASP A 63 -7.482 -5.551 -29.703 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.769 -4.701 -30.535 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.141 -6.615 -32.203 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.280 -7.115 -30.529 1.00 0.00 H new ATOM 984 N THR A 64 -7.108 -3.275 -31.818 1.00 0.00 N ATOM 985 CA THR A 64 -7.579 -2.392 -32.916 1.00 0.00 C ATOM 986 C THR A 64 -8.090 -1.069 -32.364 1.00 0.00 C ATOM 987 O THR A 64 -7.574 -0.015 -32.686 1.00 0.00 O ATOM 988 CB THR A 64 -8.723 -3.094 -33.652 1.00 0.00 C ATOM 989 OG1 THR A 64 -9.588 -3.562 -32.638 1.00 0.00 O ATOM 990 CG2 THR A 64 -8.225 -4.365 -34.353 1.00 0.00 C ATOM 0 H THR A 64 -7.559 -3.127 -30.915 1.00 0.00 H new ATOM 0 HA THR A 64 -6.747 -2.192 -33.591 1.00 0.00 H new ATOM 0 HB THR A 64 -9.170 -2.411 -34.374 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.195 -4.352 -32.212 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.056 -4.846 -34.869 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.452 -4.103 -35.076 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.812 -5.051 -33.613 1.00 0.00 H new ATOM 998 N ASN A 65 -9.108 -1.157 -31.539 1.00 0.00 N ATOM 999 CA ASN A 65 -9.691 0.069 -30.935 1.00 0.00 C ATOM 1000 C ASN A 65 -9.756 -0.075 -29.424 1.00 0.00 C ATOM 1001 O ASN A 65 -10.795 -0.357 -28.865 1.00 0.00 O ATOM 1002 CB ASN A 65 -11.119 0.255 -31.479 1.00 0.00 C ATOM 1003 CG ASN A 65 -11.582 1.687 -31.193 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -10.803 2.618 -31.211 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -12.843 1.906 -30.928 1.00 0.00 N ATOM 0 H ASN A 65 -9.556 -2.030 -31.262 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.069 0.928 -31.187 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.141 0.060 -32.551 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.796 -0.460 -31.011 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.167 2.854 -30.738 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.503 1.129 -30.911 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.637 0.118 -28.790 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.607 -0.004 -27.313 1.00 0.00 C ATOM 1014 C GLU A 66 -9.563 0.986 -26.691 1.00 0.00 C ATOM 1015 O GLU A 66 -9.834 0.941 -25.507 1.00 0.00 O ATOM 1016 CB GLU A 66 -7.181 0.300 -26.823 1.00 0.00 C ATOM 1017 CG GLU A 66 -6.787 1.716 -27.257 1.00 0.00 C ATOM 1018 CD GLU A 66 -6.447 1.713 -28.748 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.437 1.109 -29.071 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -7.215 2.315 -29.480 1.00 0.00 O ATOM 0 H GLU A 66 -7.747 0.354 -29.229 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.902 -1.013 -27.026 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.131 0.213 -25.738 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.480 -0.427 -27.234 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.605 2.409 -27.060 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.930 2.061 -26.678 1.00 0.00 H new ATOM 1027 N ALA A 67 -10.061 1.864 -27.504 1.00 0.00 N ATOM 1028 CA ALA A 67 -11.001 2.873 -26.997 1.00 0.00 C ATOM 1029 C ALA A 67 -12.306 2.205 -26.602 1.00 0.00 C ATOM 1030 O ALA A 67 -13.094 2.754 -25.857 1.00 0.00 O ATOM 1031 CB ALA A 67 -11.260 3.877 -28.123 1.00 0.00 C ATOM 0 H ALA A 67 -9.853 1.922 -28.501 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.587 3.375 -26.123 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -11.956 4.641 -27.776 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.321 4.347 -28.414 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.688 3.359 -28.981 1.00 0.00 H new ATOM 1037 N ALA A 68 -12.505 1.023 -27.113 1.00 0.00 N ATOM 1038 CA ALA A 68 -13.742 0.284 -26.792 1.00 0.00 C ATOM 1039 C ALA A 68 -13.532 -0.573 -25.552 1.00 0.00 C ATOM 1040 O ALA A 68 -14.084 -0.299 -24.508 1.00 0.00 O ATOM 1041 CB ALA A 68 -14.079 -0.629 -27.980 1.00 0.00 C ATOM 0 H ALA A 68 -11.860 0.542 -27.739 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.552 0.988 -26.603 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.991 -1.185 -27.764 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -14.227 -0.023 -28.874 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.259 -1.327 -28.146 1.00 0.00 H new ATOM 1047 N TYR A 69 -12.730 -1.598 -25.687 1.00 0.00 N ATOM 1048 CA TYR A 69 -12.475 -2.478 -24.517 1.00 0.00 C ATOM 1049 C TYR A 69 -12.212 -1.639 -23.275 1.00 0.00 C ATOM 1050 O TYR A 69 -12.446 -2.074 -22.172 1.00 0.00 O ATOM 1051 CB TYR A 69 -11.229 -3.323 -24.810 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.833 -4.116 -23.551 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -11.538 -5.243 -23.173 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -9.763 -3.711 -22.777 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -11.176 -5.946 -22.041 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -9.407 -4.417 -21.649 1.00 0.00 C ATOM 1057 CZ TYR A 69 -10.108 -5.536 -21.274 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.740 -6.243 -20.154 1.00 0.00 O ATOM 0 H TYR A 69 -12.248 -1.858 -26.547 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.345 -3.112 -24.344 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.427 -4.007 -25.635 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.406 -2.679 -25.120 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.377 -5.576 -23.766 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.201 -2.833 -23.059 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.735 -6.825 -21.755 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.568 -4.087 -21.054 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.819 -6.561 -20.256 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.728 -0.441 -23.484 1.00 0.00 N ATOM 1069 CA LYS A 70 -11.443 0.443 -22.325 1.00 0.00 C ATOM 1070 C LYS A 70 -12.694 1.194 -21.898 1.00 0.00 C ATOM 1071 O LYS A 70 -13.132 1.080 -20.774 1.00 0.00 O ATOM 1072 CB LYS A 70 -10.368 1.458 -22.740 1.00 0.00 C ATOM 1073 CG LYS A 70 -9.921 2.252 -21.510 1.00 0.00 C ATOM 1074 CD LYS A 70 -8.876 3.286 -21.938 1.00 0.00 C ATOM 1075 CE LYS A 70 -8.531 4.183 -20.746 1.00 0.00 C ATOM 1076 NZ LYS A 70 -9.769 4.738 -20.132 1.00 0.00 N ATOM 0 H LYS A 70 -11.521 -0.044 -24.400 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.101 -0.166 -21.488 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.516 0.942 -23.184 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.763 2.133 -23.499 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.776 2.748 -21.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.502 1.581 -20.760 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.979 2.784 -22.301 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.260 3.888 -22.761 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.975 3.612 -20.003 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.884 4.997 -21.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.536 5.599 -19.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.454 4.969 -20.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.183 4.034 -19.489 1.00 0.00 H new ATOM 1090 N ALA A 71 -13.246 1.951 -22.800 1.00 0.00 N ATOM 1091 CA ALA A 71 -14.468 2.712 -22.451 1.00 0.00 C ATOM 1092 C ALA A 71 -15.497 1.787 -21.811 1.00 0.00 C ATOM 1093 O ALA A 71 -16.108 2.124 -20.815 1.00 0.00 O ATOM 1094 CB ALA A 71 -15.061 3.302 -23.740 1.00 0.00 C ATOM 0 H ALA A 71 -12.907 2.074 -23.754 1.00 0.00 H new ATOM 0 HA ALA A 71 -14.214 3.504 -21.747 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.962 3.866 -23.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.332 3.964 -24.206 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.310 2.495 -24.429 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.666 0.634 -22.399 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.645 -0.332 -21.851 1.00 0.00 C ATOM 1102 C ARG A 72 -16.163 -0.888 -20.515 1.00 0.00 C ATOM 1103 O ARG A 72 -16.873 -0.843 -19.535 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.787 -1.486 -22.851 1.00 0.00 C ATOM 1105 CG ARG A 72 -17.468 -0.964 -24.121 1.00 0.00 C ATOM 1106 CD ARG A 72 -17.275 -1.974 -25.257 1.00 0.00 C ATOM 1107 NE ARG A 72 -17.200 -1.238 -26.549 1.00 0.00 N ATOM 1108 CZ ARG A 72 -17.971 -1.600 -27.537 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -19.236 -1.283 -27.498 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -17.453 -2.270 -28.528 1.00 0.00 N ATOM 0 H ARG A 72 -15.167 0.325 -23.233 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.600 0.169 -21.693 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.807 -1.899 -23.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.374 -2.293 -22.413 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.531 -0.806 -23.938 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.046 0.001 -24.402 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.364 -2.550 -25.098 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.102 -2.684 -25.275 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.552 -0.458 -26.661 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.607 -0.761 -26.704 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.854 -1.557 -28.261 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.460 -2.503 -28.522 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.041 -2.561 -29.309 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.966 -1.406 -20.498 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.440 -1.962 -19.228 1.00 0.00 C ATOM 1126 C TYR A 73 -14.614 -0.952 -18.100 1.00 0.00 C ATOM 1127 O TYR A 73 -15.226 -1.238 -17.095 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.942 -2.256 -19.408 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.329 -2.623 -18.057 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.900 -3.604 -17.272 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.191 -1.987 -17.608 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.342 -3.943 -16.057 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -10.631 -2.325 -16.393 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.202 -3.306 -15.608 1.00 0.00 C ATOM 1135 OH TYR A 73 -10.643 -3.646 -14.391 1.00 0.00 O ATOM 0 H TYR A 73 -14.339 -1.467 -21.300 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.984 -2.873 -18.977 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.803 -3.073 -20.116 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.437 -1.384 -19.824 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.791 -4.111 -17.612 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.734 -1.218 -18.213 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.800 -4.712 -15.453 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.740 -1.818 -16.054 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.031 -3.088 -13.685 1.00 0.00 H new ATOM 1145 N ARG A 74 -14.075 0.218 -18.302 1.00 0.00 N ATOM 1146 CA ARG A 74 -14.187 1.276 -17.264 1.00 0.00 C ATOM 1147 C ARG A 74 -15.644 1.548 -16.906 1.00 0.00 C ATOM 1148 O ARG A 74 -15.968 1.802 -15.763 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.571 2.567 -17.828 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.394 3.579 -16.696 1.00 0.00 C ATOM 1151 CD ARG A 74 -12.079 4.334 -16.901 1.00 0.00 C ATOM 1152 NE ARG A 74 -11.955 5.378 -15.848 1.00 0.00 N ATOM 1153 CZ ARG A 74 -11.832 5.015 -14.603 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -12.905 4.727 -13.922 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -10.638 4.951 -14.081 1.00 0.00 N ATOM 0 H ARG A 74 -13.562 0.486 -19.142 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.668 0.944 -16.365 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.609 2.352 -18.292 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.214 2.981 -18.604 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.231 4.278 -16.682 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.389 3.069 -15.733 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.236 3.645 -16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.057 4.791 -17.890 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.966 6.367 -16.098 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.822 4.788 -14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.828 4.441 -12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.821 5.183 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.521 4.669 -13.108 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.497 1.496 -17.891 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.936 1.750 -17.623 1.00 0.00 C ATOM 1171 C ILE A 75 -18.612 0.501 -17.077 1.00 0.00 C ATOM 1172 O ILE A 75 -18.971 0.439 -15.918 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.610 2.132 -18.942 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -18.099 3.490 -19.414 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -20.130 2.220 -18.714 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -18.867 4.610 -18.702 1.00 0.00 C ATOM 0 H ILE A 75 -16.261 1.290 -18.862 1.00 0.00 H new ATOM 0 HA ILE A 75 -18.026 2.549 -16.887 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.382 1.380 -19.698 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.033 3.579 -19.207 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -18.223 3.581 -20.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -20.623 2.492 -19.647 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.504 1.254 -18.374 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -20.341 2.977 -17.958 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.498 5.578 -19.043 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.929 4.525 -18.931 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.720 4.524 -17.625 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.772 -0.468 -17.924 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.418 -1.724 -17.487 1.00 0.00 C ATOM 1190 C ILE A 76 -18.867 -2.175 -16.138 1.00 0.00 C ATOM 1191 O ILE A 76 -19.498 -2.931 -15.432 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.140 -2.796 -18.565 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.433 -3.523 -18.927 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -18.132 -3.837 -18.028 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.315 -4.063 -20.348 1.00 0.00 C ATOM 0 H ILE A 76 -18.482 -0.443 -18.902 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.491 -1.571 -17.368 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.732 -2.299 -19.445 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.615 -4.339 -18.228 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -21.282 -2.843 -18.851 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -17.942 -4.589 -18.794 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.198 -3.339 -17.769 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.544 -4.319 -17.141 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.234 -4.584 -20.617 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.152 -3.236 -21.039 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.475 -4.755 -20.406 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.695 -1.708 -15.814 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.085 -2.097 -14.513 1.00 0.00 C ATOM 1209 C TYR A 77 -18.128 -2.092 -13.408 1.00 0.00 C ATOM 1210 O TYR A 77 -18.324 -3.075 -12.738 1.00 0.00 O ATOM 1211 CB TYR A 77 -15.992 -1.071 -14.168 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.626 -1.166 -12.680 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -14.651 -2.045 -12.252 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -16.229 -0.336 -11.755 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.282 -2.090 -10.924 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -15.859 -0.382 -10.427 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.884 -1.258 -10.001 1.00 0.00 C ATOM 1218 OH TYR A 77 -14.512 -1.299 -8.673 1.00 0.00 O ATOM 0 H TYR A 77 -17.136 -1.078 -16.389 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.669 -3.101 -14.597 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.108 -1.251 -14.780 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.341 -0.065 -14.401 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.173 -2.703 -12.963 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.996 0.354 -12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.516 -2.781 -10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.337 0.274 -9.715 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.618 -0.409 -8.276 1.00 0.00 H new ATOM 1228 N SER A 78 -18.790 -0.984 -13.253 1.00 0.00 N ATOM 1229 CA SER A 78 -19.827 -0.894 -12.193 1.00 0.00 C ATOM 1230 C SER A 78 -20.777 -2.084 -12.242 1.00 0.00 C ATOM 1231 O SER A 78 -21.080 -2.679 -11.228 1.00 0.00 O ATOM 1232 CB SER A 78 -20.639 0.389 -12.412 1.00 0.00 C ATOM 1233 OG SER A 78 -21.445 0.488 -11.248 1.00 0.00 O ATOM 0 H SER A 78 -18.659 -0.140 -13.811 1.00 0.00 H new ATOM 0 HA SER A 78 -19.330 -0.888 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 78 -19.990 1.258 -12.523 1.00 0.00 H new ATOM 0 HB3 SER A 78 -21.247 0.327 -13.315 1.00 0.00 H new ATOM 0 HG SER A 78 -22.003 1.292 -11.304 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.233 -2.409 -13.417 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.164 -3.557 -13.534 1.00 0.00 C ATOM 1241 C ASN A 79 -21.495 -4.837 -13.067 1.00 0.00 C ATOM 1242 O ASN A 79 -22.111 -5.655 -12.414 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.573 -3.715 -15.005 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.536 -2.591 -15.383 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -23.379 -1.458 -14.971 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -24.546 -2.860 -16.164 1.00 0.00 N ATOM 0 H ASN A 79 -21.004 -1.935 -14.291 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.038 -3.370 -12.911 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -21.691 -3.685 -15.645 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.047 -4.684 -15.161 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.199 -2.121 -16.426 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -24.683 -3.809 -16.513 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.248 -4.997 -13.411 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.545 -6.225 -12.984 1.00 0.00 C ATOM 1255 C VAL A 80 -19.615 -6.365 -11.472 1.00 0.00 C ATOM 1256 O VAL A 80 -19.863 -7.438 -10.961 1.00 0.00 O ATOM 1257 CB VAL A 80 -18.074 -6.138 -13.409 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -17.353 -7.408 -12.958 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -17.992 -6.022 -14.930 1.00 0.00 C ATOM 0 H VAL A 80 -19.697 -4.338 -13.961 1.00 0.00 H new ATOM 0 HA VAL A 80 -20.020 -7.089 -13.449 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.607 -5.265 -12.953 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.306 -7.357 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.419 -7.498 -11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.820 -8.276 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.947 -5.960 -15.234 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.452 -6.898 -15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.519 -5.125 -15.255 1.00 0.00 H new ATOM 1269 N ILE A 81 -19.393 -5.275 -10.773 1.00 0.00 N ATOM 1270 CA ILE A 81 -19.451 -5.353 -9.295 1.00 0.00 C ATOM 1271 C ILE A 81 -20.855 -5.740 -8.871 1.00 0.00 C ATOM 1272 O ILE A 81 -21.058 -6.352 -7.841 1.00 0.00 O ATOM 1273 CB ILE A 81 -19.120 -3.974 -8.699 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -18.110 -3.239 -9.569 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.510 -4.175 -7.302 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -16.983 -4.194 -9.975 1.00 0.00 C ATOM 0 H ILE A 81 -19.179 -4.356 -11.161 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.734 -6.094 -8.942 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.035 -3.384 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.602 -2.843 -10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.700 -2.388 -9.026 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.270 -3.205 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.226 -4.692 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.601 -4.771 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.263 -3.663 -10.598 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.484 -4.568 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.400 -5.031 -10.535 1.00 0.00 H new ATOM 1288 N SER A 82 -21.802 -5.363 -9.684 1.00 0.00 N ATOM 1289 CA SER A 82 -23.214 -5.683 -9.382 1.00 0.00 C ATOM 1290 C SER A 82 -23.492 -7.153 -9.661 1.00 0.00 C ATOM 1291 O SER A 82 -24.563 -7.644 -9.380 1.00 0.00 O ATOM 1292 CB SER A 82 -24.115 -4.822 -10.283 1.00 0.00 C ATOM 1293 OG SER A 82 -25.110 -4.319 -9.401 1.00 0.00 O ATOM 0 H SER A 82 -21.652 -4.844 -10.549 1.00 0.00 H new ATOM 0 HA SER A 82 -23.415 -5.478 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.554 -4.014 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.556 -5.412 -11.086 1.00 0.00 H new ATOM 0 HG SER A 82 -25.733 -3.751 -9.901 1.00 0.00 H new ATOM 1299 N LYS A 83 -22.508 -7.815 -10.237 1.00 0.00 N ATOM 1300 CA LYS A 83 -22.645 -9.271 -10.572 1.00 0.00 C ATOM 1301 C LYS A 83 -23.573 -9.458 -11.763 1.00 0.00 C ATOM 1302 O LYS A 83 -24.718 -9.834 -11.613 1.00 0.00 O ATOM 1303 CB LYS A 83 -23.213 -10.061 -9.360 1.00 0.00 C ATOM 1304 CG LYS A 83 -22.504 -9.625 -8.069 1.00 0.00 C ATOM 1305 CD LYS A 83 -23.403 -9.948 -6.870 1.00 0.00 C ATOM 1306 CE LYS A 83 -23.583 -11.467 -6.772 1.00 0.00 C ATOM 1307 NZ LYS A 83 -24.221 -11.837 -5.476 1.00 0.00 N ATOM 0 H LYS A 83 -21.610 -7.403 -10.490 1.00 0.00 H new ATOM 0 HA LYS A 83 -21.654 -9.651 -10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.285 -9.887 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.076 -11.131 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -21.548 -10.140 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -22.288 -8.557 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -22.959 -9.562 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -24.372 -9.461 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -24.198 -11.820 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -22.615 -11.960 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -24.335 -12.870 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -23.620 -11.518 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -25.154 -11.382 -5.406 1.00 0.00 H new ATOM 1321 N ASN A 84 -23.052 -9.188 -12.931 1.00 0.00 N ATOM 1322 CA ASN A 84 -23.872 -9.337 -14.157 1.00 0.00 C ATOM 1323 C ASN A 84 -22.980 -9.554 -15.370 1.00 0.00 C ATOM 1324 O ASN A 84 -21.876 -9.057 -15.423 1.00 0.00 O ATOM 1325 CB ASN A 84 -24.675 -8.044 -14.367 1.00 0.00 C ATOM 1326 CG ASN A 84 -25.410 -8.117 -15.707 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -26.355 -9.004 -15.863 1.00 0.00 O flip ATOM 1328 ND2 ASN A 84 -25.131 -7.368 -16.623 1.00 0.00 N flip ATOM 0 H ASN A 84 -22.094 -8.871 -13.083 1.00 0.00 H new ATOM 0 HA ASN A 84 -24.534 -10.195 -14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -25.389 -7.910 -13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -24.008 -7.182 -14.351 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -24.394 -6.673 -16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -25.634 -7.435 -17.508 1.00 0.00 H new ATOM 1335 N ASN A 85 -23.471 -10.293 -16.323 1.00 0.00 N ATOM 1336 CA ASN A 85 -22.660 -10.549 -17.536 1.00 0.00 C ATOM 1337 C ASN A 85 -22.660 -9.312 -18.456 1.00 0.00 C ATOM 1338 O ASN A 85 -23.701 -8.902 -18.927 1.00 0.00 O ATOM 1339 CB ASN A 85 -23.307 -11.717 -18.297 1.00 0.00 C ATOM 1340 CG ASN A 85 -24.829 -11.576 -18.241 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -25.348 -10.448 -17.836 1.00 0.00 O flip ATOM 1342 ND2 ASN A 85 -25.560 -12.490 -18.565 1.00 0.00 N flip ATOM 0 H ASN A 85 -24.394 -10.727 -16.312 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.634 -10.777 -17.247 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -22.969 -11.723 -19.333 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -23.002 -12.666 -17.857 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -25.162 -13.374 -18.882 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -26.572 -12.374 -18.520 1.00 0.00 H new ATOM 1349 N PRO A 86 -21.484 -8.730 -18.702 1.00 0.00 N ATOM 1350 CA PRO A 86 -21.400 -7.560 -19.560 1.00 0.00 C ATOM 1351 C PRO A 86 -21.815 -7.924 -20.968 1.00 0.00 C ATOM 1352 O PRO A 86 -22.234 -7.083 -21.738 1.00 0.00 O ATOM 1353 CB PRO A 86 -19.910 -7.161 -19.556 1.00 0.00 C ATOM 1354 CG PRO A 86 -19.155 -8.202 -18.678 1.00 0.00 C ATOM 1355 CD PRO A 86 -20.201 -9.204 -18.163 1.00 0.00 C ATOM 0 HA PRO A 86 -22.048 -6.755 -19.214 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -19.512 -7.153 -20.571 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.782 -6.155 -19.155 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -18.387 -8.712 -19.260 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.651 -7.710 -17.846 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -19.980 -10.215 -18.504 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -20.217 -9.232 -17.073 1.00 0.00 H new ATOM 1363 N ASP A 87 -21.683 -9.182 -21.279 1.00 0.00 N ATOM 1364 CA ASP A 87 -22.058 -9.637 -22.622 1.00 0.00 C ATOM 1365 C ASP A 87 -21.227 -8.913 -23.655 1.00 0.00 C ATOM 1366 O ASP A 87 -21.613 -8.800 -24.796 1.00 0.00 O ATOM 1367 CB ASP A 87 -23.540 -9.309 -22.850 1.00 0.00 C ATOM 1368 CG ASP A 87 -24.237 -10.528 -23.454 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -24.381 -11.488 -22.716 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -24.586 -10.431 -24.619 1.00 0.00 O ATOM 0 H ASP A 87 -21.331 -9.906 -20.653 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.887 -10.710 -22.711 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -24.013 -9.034 -21.907 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -23.637 -8.452 -23.517 1.00 0.00 H new ATOM 1375 N LEU A 88 -20.089 -8.432 -23.234 1.00 0.00 N ATOM 1376 CA LEU A 88 -19.220 -7.709 -24.188 1.00 0.00 C ATOM 1377 C LEU A 88 -18.743 -8.632 -25.309 1.00 0.00 C ATOM 1378 O LEU A 88 -18.394 -8.182 -26.382 1.00 0.00 O ATOM 1379 CB LEU A 88 -17.990 -7.171 -23.429 1.00 0.00 C ATOM 1380 CG LEU A 88 -18.338 -5.823 -22.783 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -17.347 -5.543 -21.649 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -18.228 -4.707 -23.829 1.00 0.00 C ATOM 0 H LEU A 88 -19.732 -8.510 -22.282 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.792 -6.894 -24.630 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.680 -7.884 -22.665 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.150 -7.053 -24.113 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.355 -5.858 -22.393 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.587 -4.587 -21.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.413 -6.336 -20.904 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.335 -5.507 -22.051 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.476 -3.751 -23.368 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.210 -4.670 -24.216 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -18.920 -4.906 -24.647 1.00 0.00 H new ATOM 1579 N PHE A 101 -27.060 3.140 -27.496 1.00 0.00 N ATOM 1580 CA PHE A 101 -25.767 3.868 -27.763 1.00 0.00 C ATOM 1581 C PHE A 101 -25.928 4.978 -28.805 1.00 0.00 C ATOM 1582 O PHE A 101 -25.240 5.974 -28.757 1.00 0.00 O ATOM 1583 CB PHE A 101 -24.736 2.843 -28.292 1.00 0.00 C ATOM 1584 CG PHE A 101 -23.705 3.549 -29.193 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -24.055 3.976 -30.466 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -22.406 3.756 -28.752 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -23.123 4.596 -31.277 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -21.480 4.375 -29.569 1.00 0.00 C ATOM 1589 CZ PHE A 101 -21.839 4.794 -30.828 1.00 0.00 C ATOM 0 HA PHE A 101 -25.441 4.331 -26.832 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -24.230 2.359 -27.456 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -25.245 2.059 -28.853 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -25.062 3.823 -30.825 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -22.117 3.431 -27.763 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -23.404 4.926 -32.266 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -20.471 4.530 -29.217 1.00 0.00 H new ATOM 0 HZ PHE A 101 -21.113 5.278 -31.464 1.00 0.00 H new ATOM 1599 N LEU A 102 -26.822 4.783 -29.726 1.00 0.00 N ATOM 1600 CA LEU A 102 -27.033 5.821 -30.773 1.00 0.00 C ATOM 1601 C LEU A 102 -27.360 7.189 -30.160 1.00 0.00 C ATOM 1602 O LEU A 102 -27.415 8.183 -30.856 1.00 0.00 O ATOM 1603 CB LEU A 102 -28.203 5.378 -31.667 1.00 0.00 C ATOM 1604 CG LEU A 102 -27.643 4.635 -32.886 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -28.736 3.749 -33.490 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -27.188 5.654 -33.931 1.00 0.00 C ATOM 0 H LEU A 102 -27.414 3.956 -29.802 1.00 0.00 H new ATOM 0 HA LEU A 102 -26.113 5.924 -31.349 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -28.880 4.731 -31.109 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -28.782 6.244 -31.987 1.00 0.00 H new ATOM 0 HG LEU A 102 -26.799 4.017 -32.580 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -28.339 3.221 -34.357 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -29.071 3.026 -32.746 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -29.578 4.369 -33.798 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -26.789 5.131 -34.800 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -28.036 6.267 -34.235 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -26.414 6.292 -33.504 1.00 0.00 H new ATOM 1618 N ALA A 103 -27.569 7.216 -28.871 1.00 0.00 N ATOM 1619 CA ALA A 103 -27.893 8.507 -28.205 1.00 0.00 C ATOM 1620 C ALA A 103 -26.631 9.277 -27.828 1.00 0.00 C ATOM 1621 O ALA A 103 -26.698 10.439 -27.478 1.00 0.00 O ATOM 1622 CB ALA A 103 -28.683 8.206 -26.922 1.00 0.00 C ATOM 0 H ALA A 103 -27.529 6.404 -28.255 1.00 0.00 H new ATOM 0 HA ALA A 103 -28.472 9.117 -28.898 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -28.930 9.141 -26.419 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -29.601 7.677 -27.176 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -28.079 7.586 -26.260 1.00 0.00 H new ATOM 1628 N THR A 104 -25.502 8.618 -27.907 1.00 0.00 N ATOM 1629 CA THR A 104 -24.228 9.292 -27.558 1.00 0.00 C ATOM 1630 C THR A 104 -23.492 9.714 -28.817 1.00 0.00 C ATOM 1631 O THR A 104 -22.774 10.693 -28.823 1.00 0.00 O ATOM 1632 CB THR A 104 -23.355 8.303 -26.778 1.00 0.00 C ATOM 1633 OG1 THR A 104 -23.981 7.046 -26.935 1.00 0.00 O ATOM 1634 CG2 THR A 104 -23.427 8.584 -25.269 1.00 0.00 C ATOM 0 H THR A 104 -25.414 7.644 -28.198 1.00 0.00 H new ATOM 0 HA THR A 104 -24.439 10.178 -26.959 1.00 0.00 H new ATOM 0 HB THR A 104 -22.325 8.363 -27.130 1.00 0.00 H new ATOM 0 HG1 THR A 104 -23.863 6.735 -27.857 1.00 0.00 H new ATOM 0 HG21 THR A 104 -22.800 7.870 -24.736 1.00 0.00 H new ATOM 0 HG22 THR A 104 -23.074 9.596 -25.070 1.00 0.00 H new ATOM 0 HG23 THR A 104 -24.458 8.486 -24.929 1.00 0.00 H new ATOM 1642 N CYS A 105 -23.685 8.964 -29.867 1.00 0.00 N ATOM 1643 CA CYS A 105 -23.004 9.306 -31.136 1.00 0.00 C ATOM 1644 C CYS A 105 -23.162 10.788 -31.444 1.00 0.00 C ATOM 1645 O CYS A 105 -22.473 11.326 -32.286 1.00 0.00 O ATOM 1646 CB CYS A 105 -23.649 8.492 -32.269 1.00 0.00 C ATOM 1647 SG CYS A 105 -25.308 8.982 -32.804 1.00 0.00 S ATOM 0 H CYS A 105 -24.281 8.137 -29.897 1.00 0.00 H new ATOM 0 HA CYS A 105 -21.942 9.076 -31.047 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -22.988 8.537 -33.135 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -23.691 7.449 -31.954 1.00 0.00 H new ATOM 0 HG CYS A 105 -26.184 8.568 -31.937 1.00 0.00 H new ATOM 1653 N ASP A 106 -24.070 11.427 -30.750 1.00 0.00 N ATOM 1654 CA ASP A 106 -24.281 12.875 -30.995 1.00 0.00 C ATOM 1655 C ASP A 106 -23.239 13.699 -30.267 1.00 0.00 C ATOM 1656 O ASP A 106 -22.361 14.274 -30.879 1.00 0.00 O ATOM 1657 CB ASP A 106 -25.674 13.260 -30.473 1.00 0.00 C ATOM 1658 CG ASP A 106 -25.922 14.745 -30.740 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -25.456 15.194 -31.775 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -26.561 15.349 -29.894 1.00 0.00 O ATOM 0 H ASP A 106 -24.665 11.010 -30.034 1.00 0.00 H new ATOM 0 HA ASP A 106 -24.198 13.072 -32.064 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -26.438 12.658 -30.965 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -25.744 13.054 -29.405 1.00 0.00 H new ATOM 1665 N ALA A 107 -23.347 13.748 -28.974 1.00 0.00 N ATOM 1666 CA ALA A 107 -22.361 14.532 -28.205 1.00 0.00 C ATOM 1667 C ALA A 107 -20.977 13.970 -28.437 1.00 0.00 C ATOM 1668 O ALA A 107 -19.987 14.550 -28.039 1.00 0.00 O ATOM 1669 CB ALA A 107 -22.699 14.431 -26.710 1.00 0.00 C ATOM 0 H ALA A 107 -24.069 13.283 -28.424 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.390 15.573 -28.526 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -21.975 15.007 -26.134 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -23.700 14.827 -26.536 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -22.662 13.387 -26.398 1.00 0.00 H new ATOM 1675 N LYS A 108 -20.933 12.838 -29.087 1.00 0.00 N ATOM 1676 CA LYS A 108 -19.626 12.209 -29.362 1.00 0.00 C ATOM 1677 C LYS A 108 -18.822 13.070 -30.313 1.00 0.00 C ATOM 1678 O LYS A 108 -17.610 12.993 -30.348 1.00 0.00 O ATOM 1679 CB LYS A 108 -19.879 10.827 -29.991 1.00 0.00 C ATOM 1680 CG LYS A 108 -18.546 10.207 -30.418 1.00 0.00 C ATOM 1681 CD LYS A 108 -17.627 10.094 -29.195 1.00 0.00 C ATOM 1682 CE LYS A 108 -16.564 9.016 -29.451 1.00 0.00 C ATOM 1683 NZ LYS A 108 -15.423 9.579 -30.224 1.00 0.00 N ATOM 0 H LYS A 108 -21.746 12.330 -29.435 1.00 0.00 H new ATOM 0 HA LYS A 108 -19.061 12.103 -28.436 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -20.382 10.177 -29.275 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -20.540 10.923 -30.853 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -18.713 9.222 -30.855 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.075 10.821 -31.186 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.148 11.053 -28.997 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -18.211 9.841 -28.310 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.206 8.618 -28.502 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.006 8.184 -29.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -14.714 8.836 -30.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.766 9.937 -31.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -14.991 10.358 -29.687 1.00 0.00 H new ATOM 1697 N ASP A 109 -19.504 13.882 -31.078 1.00 0.00 N ATOM 1698 CA ASP A 109 -18.772 14.747 -32.021 1.00 0.00 C ATOM 1699 C ASP A 109 -17.880 15.638 -31.212 1.00 0.00 C ATOM 1700 O ASP A 109 -16.782 15.978 -31.610 1.00 0.00 O ATOM 1701 CB ASP A 109 -19.779 15.604 -32.797 1.00 0.00 C ATOM 1702 CG ASP A 109 -19.059 16.323 -33.942 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -18.845 15.663 -34.945 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -18.765 17.492 -33.747 1.00 0.00 O ATOM 0 H ASP A 109 -20.520 13.976 -31.085 1.00 0.00 H new ATOM 0 HA ASP A 109 -18.189 14.154 -32.725 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -20.578 14.977 -33.192 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -20.244 16.331 -32.131 1.00 0.00 H new ATOM 1709 N LEU A 110 -18.380 16.002 -30.073 1.00 0.00 N ATOM 1710 CA LEU A 110 -17.616 16.864 -29.184 1.00 0.00 C ATOM 1711 C LEU A 110 -17.949 16.508 -27.750 1.00 0.00 C ATOM 1712 O LEU A 110 -18.784 17.126 -27.121 1.00 0.00 O ATOM 1713 CB LEU A 110 -18.018 18.319 -29.444 1.00 0.00 C ATOM 1714 CG LEU A 110 -19.542 18.404 -29.493 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -20.015 19.510 -28.548 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -19.993 18.732 -30.921 1.00 0.00 C ATOM 0 H LEU A 110 -19.300 15.728 -29.727 1.00 0.00 H new ATOM 0 HA LEU A 110 -16.548 16.734 -29.360 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -17.629 18.965 -28.657 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -17.590 18.667 -30.384 1.00 0.00 H new ATOM 0 HG LEU A 110 -19.970 17.449 -29.188 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -21.103 19.575 -28.579 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -19.694 19.282 -27.532 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -19.586 20.462 -28.859 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -21.081 18.792 -30.954 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -19.567 19.688 -31.227 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -19.652 17.950 -31.599 1.00 0.00 H new ATOM 1728 N ALA A 111 -17.288 15.501 -27.268 1.00 0.00 N ATOM 1729 CA ALA A 111 -17.525 15.061 -25.877 1.00 0.00 C ATOM 1730 C ALA A 111 -17.163 16.151 -24.853 1.00 0.00 C ATOM 1731 O ALA A 111 -17.892 16.380 -23.907 1.00 0.00 O ATOM 1732 CB ALA A 111 -16.647 13.828 -25.610 1.00 0.00 C ATOM 0 H ALA A 111 -16.591 14.962 -27.782 1.00 0.00 H new ATOM 0 HA ALA A 111 -18.586 14.837 -25.765 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -16.804 13.484 -24.588 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -16.915 13.033 -26.306 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -15.598 14.092 -25.747 1.00 0.00 H new ATOM 1738 N PRO A 112 -16.031 16.807 -25.061 1.00 0.00 N ATOM 1739 CA PRO A 112 -15.586 17.862 -24.150 1.00 0.00 C ATOM 1740 C PRO A 112 -16.576 19.022 -24.093 1.00 0.00 C ATOM 1741 O PRO A 112 -16.988 19.543 -25.112 1.00 0.00 O ATOM 1742 CB PRO A 112 -14.238 18.343 -24.729 1.00 0.00 C ATOM 1743 CG PRO A 112 -13.905 17.426 -25.947 1.00 0.00 C ATOM 1744 CD PRO A 112 -15.140 16.545 -26.201 1.00 0.00 C ATOM 0 HA PRO A 112 -15.501 17.489 -23.129 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -14.303 19.386 -25.039 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -13.452 18.283 -23.976 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -13.671 18.025 -26.827 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -13.030 16.811 -25.738 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -15.621 16.801 -27.145 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -14.869 15.491 -26.257 1.00 0.00 H new ATOM 1752 N ALA A 113 -16.933 19.400 -22.887 1.00 0.00 N ATOM 1753 CA ALA A 113 -17.894 20.521 -22.700 1.00 0.00 C ATOM 1754 C ALA A 113 -17.244 21.661 -21.898 1.00 0.00 C ATOM 1755 O ALA A 113 -17.270 21.655 -20.684 1.00 0.00 O ATOM 1756 CB ALA A 113 -19.087 19.987 -21.894 1.00 0.00 C ATOM 0 H ALA A 113 -16.595 18.974 -22.024 1.00 0.00 H new ATOM 0 HA ALA A 113 -18.202 20.901 -23.674 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.810 20.788 -21.741 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -19.560 19.171 -22.441 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -18.739 19.622 -20.928 1.00 0.00 H new