USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 631 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 96 GLN : amide:sc= -2.44! C(o=-1.2!,f=-5.8!) USER MOD Set 1.2: A 98 TYR OH : rot -61:sc= 1.23 USER MOD Set 2.1: A 45 CYS SG : rot -170:sc= -3.03! USER MOD Set 2.2: A 67 GLN :FLIP amide:sc= -1.86 F(o=-7.1!,f=-4.9) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.5!) USER MOD Single : A 44 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 135:sc= 0 (180deg=-0.732) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 93:sc= -0.0342 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0998 USER MOD Single : A 88 CYS SG : rot -68:sc= -1.19 USER MOD Single : A 92 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.0047) USER MOD Single : A 95 SER OG : rot 34:sc= 0.103 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.174 K(o=0.17,f=-0.66) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 148:sc= 0.0738 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.747 2.146 -4.741 1.00 0.00 N ATOM 202 CA ARG A 16 2.138 3.546 -4.726 1.00 0.00 C ATOM 203 C ARG A 16 0.985 4.424 -5.216 1.00 0.00 C ATOM 204 O ARG A 16 0.619 4.376 -6.390 1.00 0.00 O ATOM 205 CB ARG A 16 3.364 3.785 -5.610 1.00 0.00 C ATOM 206 CG ARG A 16 4.493 4.445 -4.815 1.00 0.00 C ATOM 207 CD ARG A 16 4.655 5.914 -5.210 1.00 0.00 C ATOM 208 NE ARG A 16 6.028 6.156 -5.706 1.00 0.00 N ATOM 209 CZ ARG A 16 6.399 7.247 -6.390 1.00 0.00 C ATOM 210 NH1 ARG A 16 5.501 8.203 -6.664 1.00 0.00 N ATOM 211 NH2 ARG A 16 7.667 7.382 -6.800 1.00 0.00 N ATOM 0 HA ARG A 16 2.389 3.810 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.710 2.837 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.090 4.418 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.282 4.373 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.427 3.912 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.930 6.174 -5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.451 6.555 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 16 6.737 5.448 -5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.535 8.100 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.783 9.034 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.351 6.654 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.949 8.213 -7.321 1.00 0.00 H new ATOM 225 N ILE A 17 0.445 5.205 -4.293 1.00 0.00 N ATOM 226 CA ILE A 17 -0.659 6.093 -4.616 1.00 0.00 C ATOM 227 C ILE A 17 -0.146 7.533 -4.686 1.00 0.00 C ATOM 228 O ILE A 17 0.856 7.870 -4.057 1.00 0.00 O ATOM 229 CB ILE A 17 -1.811 5.897 -3.628 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.117 6.465 -4.189 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.468 6.492 -2.261 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.298 5.549 -3.864 1.00 0.00 C ATOM 0 H ILE A 17 0.751 5.242 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.067 5.852 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.960 4.827 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.295 7.456 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.031 6.584 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.303 6.339 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.580 6.002 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.276 7.560 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.213 5.976 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.128 4.566 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.396 5.451 -2.783 1.00 0.00 H new ATOM 244 N CYS A 18 -0.857 8.344 -5.456 1.00 0.00 N ATOM 245 CA CYS A 18 -0.487 9.740 -5.616 1.00 0.00 C ATOM 246 C CYS A 18 -1.757 10.544 -5.902 1.00 0.00 C ATOM 247 O CYS A 18 -2.747 9.996 -6.383 1.00 0.00 O ATOM 248 CB CYS A 18 0.565 9.924 -6.712 1.00 0.00 C ATOM 249 SG CYS A 18 -0.066 9.270 -8.300 1.00 0.00 S ATOM 0 H CYS A 18 -1.688 8.061 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.027 10.105 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.812 10.980 -6.817 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.484 9.407 -6.436 1.00 0.00 H new ATOM 0 HG CYS A 18 0.833 9.433 -9.224 1.00 0.00 H new ATOM 255 N GLY A 19 -1.686 11.831 -5.594 1.00 0.00 N ATOM 256 CA GLY A 19 -2.817 12.716 -5.812 1.00 0.00 C ATOM 257 C GLY A 19 -2.787 13.895 -4.837 1.00 0.00 C ATOM 258 O GLY A 19 -1.894 13.986 -3.996 1.00 0.00 O ATOM 0 H GLY A 19 -0.862 12.282 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.801 13.087 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.747 12.161 -5.688 1.00 0.00 H new ATOM 262 N PHE A 20 -3.773 14.768 -4.983 1.00 0.00 N ATOM 263 CA PHE A 20 -3.870 15.937 -4.126 1.00 0.00 C ATOM 264 C PHE A 20 -4.838 15.688 -2.968 1.00 0.00 C ATOM 265 O PHE A 20 -5.939 15.178 -3.172 1.00 0.00 O ATOM 266 CB PHE A 20 -4.409 17.080 -4.989 1.00 0.00 C ATOM 267 CG PHE A 20 -3.328 17.842 -5.758 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.466 18.656 -5.091 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.230 17.707 -7.107 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.462 19.364 -5.805 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.226 18.414 -7.821 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.364 19.228 -7.154 1.00 0.00 C ATOM 0 H PHE A 20 -4.512 14.689 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.893 16.172 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.130 16.676 -5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.948 17.780 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.545 18.764 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.916 17.062 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.777 20.010 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.147 18.305 -8.893 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.601 19.767 -7.697 1.00 0.00 H new ATOM 282 N LEU A 21 -4.392 16.060 -1.777 1.00 0.00 N ATOM 283 CA LEU A 21 -5.205 15.884 -0.585 1.00 0.00 C ATOM 284 C LEU A 21 -5.293 17.213 0.168 1.00 0.00 C ATOM 285 O LEU A 21 -4.584 18.163 -0.158 1.00 0.00 O ATOM 286 CB LEU A 21 -4.668 14.730 0.264 1.00 0.00 C ATOM 287 CG LEU A 21 -5.109 13.326 -0.156 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.534 12.267 0.786 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.633 13.237 -0.256 1.00 0.00 C ATOM 0 H LEU A 21 -3.478 16.482 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.223 15.603 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.579 14.768 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.975 14.892 1.297 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.709 13.125 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.862 11.278 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.445 12.313 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.884 12.454 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.920 12.229 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.075 13.467 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.991 13.952 -0.997 1.00 0.00 H new ATOM 301 N ASP A 22 -6.170 17.236 1.161 1.00 0.00 N ATOM 302 CA ASP A 22 -6.360 18.433 1.963 1.00 0.00 C ATOM 303 C ASP A 22 -6.178 18.085 3.442 1.00 0.00 C ATOM 304 O ASP A 22 -7.121 17.650 4.101 1.00 0.00 O ATOM 305 CB ASP A 22 -7.769 19.000 1.781 1.00 0.00 C ATOM 306 CG ASP A 22 -7.836 20.344 1.053 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.938 21.175 1.311 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.784 20.511 0.255 1.00 0.00 O ATOM 0 H ASP A 22 -6.757 16.446 1.428 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.629 19.174 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.368 18.275 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.229 19.112 2.763 1.00 0.00 H new ATOM 313 N ILE A 23 -4.960 18.289 3.920 1.00 0.00 N ATOM 314 CA ILE A 23 -4.642 18.001 5.308 1.00 0.00 C ATOM 315 C ILE A 23 -4.822 19.272 6.141 1.00 0.00 C ATOM 316 O ILE A 23 -4.269 20.320 5.810 1.00 0.00 O ATOM 317 CB ILE A 23 -3.247 17.384 5.422 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.867 17.154 6.887 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.209 18.235 4.688 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.683 16.193 7.001 1.00 0.00 C ATOM 0 H ILE A 23 -4.181 18.651 3.370 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.328 17.255 5.709 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.265 16.408 4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.614 18.106 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.722 16.750 7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.226 17.774 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.475 18.304 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.185 19.234 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.433 16.047 8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.948 15.235 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.823 16.612 6.478 1.00 0.00 H new ATOM 332 N GLU A 24 -5.598 19.138 7.207 1.00 0.00 N ATOM 333 CA GLU A 24 -5.858 20.262 8.090 1.00 0.00 C ATOM 334 C GLU A 24 -4.572 20.686 8.802 1.00 0.00 C ATOM 335 O GLU A 24 -3.788 19.841 9.230 1.00 0.00 O ATOM 336 CB GLU A 24 -6.958 19.924 9.098 1.00 0.00 C ATOM 337 CG GLU A 24 -7.381 21.166 9.885 1.00 0.00 C ATOM 338 CD GLU A 24 -7.921 20.784 11.265 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.245 19.973 11.934 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.997 21.312 11.619 1.00 0.00 O ATOM 0 H GLU A 24 -6.055 18.268 7.479 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.209 21.100 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.820 19.509 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.603 19.157 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.530 21.837 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.145 21.710 9.330 1.00 0.00 H new ATOM 442 N PHE A 32 -7.544 23.672 5.287 1.00 0.00 N ATOM 443 CA PHE A 32 -6.845 22.493 4.805 1.00 0.00 C ATOM 444 C PHE A 32 -5.700 22.880 3.866 1.00 0.00 C ATOM 445 O PHE A 32 -5.828 23.817 3.079 1.00 0.00 O ATOM 446 CB PHE A 32 -7.863 21.654 4.029 1.00 0.00 C ATOM 447 CG PHE A 32 -9.080 21.233 4.855 1.00 0.00 C ATOM 448 CD1 PHE A 32 -10.151 22.065 4.960 1.00 0.00 C ATOM 449 CD2 PHE A 32 -9.091 20.028 5.485 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.281 21.674 5.726 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.221 19.637 6.251 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.292 20.469 6.356 1.00 0.00 C ATOM 0 HA PHE A 32 -6.421 21.943 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.203 22.223 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.368 20.760 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.142 23.023 4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.240 19.368 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.132 22.334 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.230 18.679 6.750 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.151 20.173 6.940 1.00 0.00 H new ATOM 462 N LEU A 33 -4.608 22.139 3.980 1.00 0.00 N ATOM 463 CA LEU A 33 -3.442 22.393 3.151 1.00 0.00 C ATOM 464 C LEU A 33 -3.516 21.524 1.893 1.00 0.00 C ATOM 465 O LEU A 33 -3.534 20.297 1.982 1.00 0.00 O ATOM 466 CB LEU A 33 -2.157 22.196 3.959 1.00 0.00 C ATOM 467 CG LEU A 33 -2.060 22.984 5.267 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.612 23.377 5.564 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.991 24.198 5.246 1.00 0.00 C ATOM 0 H LEU A 33 -4.506 21.363 4.634 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.429 23.432 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.055 21.135 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.310 22.469 3.330 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.391 22.338 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.571 23.936 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.002 22.478 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.230 23.997 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.903 24.741 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.714 24.855 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.020 23.865 5.115 1.00 0.00 H new ATOM 481 N ARG A 34 -3.558 22.195 0.752 1.00 0.00 N ATOM 482 CA ARG A 34 -3.630 21.499 -0.522 1.00 0.00 C ATOM 483 C ARG A 34 -2.226 21.123 -1.002 1.00 0.00 C ATOM 484 O ARG A 34 -1.483 21.975 -1.486 1.00 0.00 O ATOM 485 CB ARG A 34 -4.309 22.366 -1.585 1.00 0.00 C ATOM 486 CG ARG A 34 -4.533 21.575 -2.876 1.00 0.00 C ATOM 487 CD ARG A 34 -4.012 22.349 -4.089 1.00 0.00 C ATOM 488 NE ARG A 34 -4.021 21.478 -5.286 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.016 21.933 -6.546 1.00 0.00 C ATOM 490 NH1 ARG A 34 -4.002 23.252 -6.782 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.024 21.070 -7.571 1.00 0.00 N ATOM 0 H ARG A 34 -3.544 23.213 0.682 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.221 20.595 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.264 22.730 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.694 23.242 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.027 20.612 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.596 21.368 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.632 23.228 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.000 22.706 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.032 20.468 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.995 23.910 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.998 23.598 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.034 20.066 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.020 21.417 -8.530 1.00 0.00 H new ATOM 505 N ARG A 35 -1.906 19.847 -0.851 1.00 0.00 N ATOM 506 CA ARG A 35 -0.605 19.347 -1.263 1.00 0.00 C ATOM 507 C ARG A 35 -0.763 18.055 -2.066 1.00 0.00 C ATOM 508 O ARG A 35 -1.857 17.499 -2.146 1.00 0.00 O ATOM 509 CB ARG A 35 0.291 19.081 -0.051 1.00 0.00 C ATOM 510 CG ARG A 35 0.318 20.289 0.887 1.00 0.00 C ATOM 511 CD ARG A 35 1.161 21.421 0.298 1.00 0.00 C ATOM 512 NE ARG A 35 1.260 22.535 1.268 1.00 0.00 N ATOM 513 CZ ARG A 35 0.351 23.512 1.387 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.732 23.518 0.597 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.523 24.482 2.295 1.00 0.00 N ATOM 0 H ARG A 35 -2.525 19.143 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.138 20.110 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.071 18.206 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.303 18.853 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.699 20.641 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.724 19.994 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.157 21.053 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.712 21.775 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 35 2.072 22.560 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.863 22.779 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.425 24.261 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.347 24.477 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.170 25.225 2.385 1.00 0.00 H new ATOM 529 N TYR A 36 0.346 17.615 -2.642 1.00 0.00 N ATOM 530 CA TYR A 36 0.345 16.398 -3.436 1.00 0.00 C ATOM 531 C TYR A 36 0.956 15.233 -2.656 1.00 0.00 C ATOM 532 O TYR A 36 2.175 15.071 -2.627 1.00 0.00 O ATOM 533 CB TYR A 36 1.219 16.692 -4.658 1.00 0.00 C ATOM 534 CG TYR A 36 0.943 15.778 -5.854 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.167 15.993 -6.645 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.805 14.739 -6.142 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.426 15.133 -7.770 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.546 13.879 -7.267 1.00 0.00 C ATOM 539 CZ TYR A 36 0.443 14.118 -8.026 1.00 0.00 C ATOM 540 OH TYR A 36 0.198 13.306 -9.089 1.00 0.00 O ATOM 0 H TYR A 36 1.252 18.080 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.673 16.117 -3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.065 17.727 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.267 16.596 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.841 16.806 -6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.674 14.571 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.291 15.290 -8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.212 13.063 -7.503 1.00 0.00 H new ATOM 0 HH TYR A 36 0.902 12.627 -9.151 1.00 0.00 H new ATOM 550 N PHE A 37 0.081 14.450 -2.042 1.00 0.00 N ATOM 551 CA PHE A 37 0.518 13.305 -1.263 1.00 0.00 C ATOM 552 C PHE A 37 0.871 12.126 -2.172 1.00 0.00 C ATOM 553 O PHE A 37 0.187 11.876 -3.163 1.00 0.00 O ATOM 554 CB PHE A 37 -0.650 12.905 -0.359 1.00 0.00 C ATOM 555 CG PHE A 37 -0.836 13.815 0.856 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.950 15.160 0.688 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.888 13.279 2.105 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.122 16.004 1.817 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.060 14.124 3.234 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.174 15.469 3.065 1.00 0.00 C ATOM 0 H PHE A 37 -0.929 14.587 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 37 1.407 13.565 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.568 12.908 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.496 11.883 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.910 15.586 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.799 12.211 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.212 17.072 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.100 13.699 4.226 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.306 16.112 3.923 1.00 0.00 H new ATOM 570 N ILE A 38 1.938 11.433 -1.803 1.00 0.00 N ATOM 571 CA ILE A 38 2.389 10.286 -2.573 1.00 0.00 C ATOM 572 C ILE A 38 2.775 9.155 -1.617 1.00 0.00 C ATOM 573 O ILE A 38 3.810 9.222 -0.956 1.00 0.00 O ATOM 574 CB ILE A 38 3.512 10.692 -3.529 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.973 11.551 -4.675 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.268 9.464 -4.040 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.084 12.403 -5.292 1.00 0.00 C ATOM 0 H ILE A 38 2.504 11.644 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 38 1.584 9.910 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 38 4.226 11.303 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.535 10.910 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.177 12.197 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.061 9.781 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.704 8.928 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.579 8.807 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.674 13.004 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.504 13.060 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.867 11.753 -5.682 1.00 0.00 H new ATOM 589 N LEU A 39 1.921 8.143 -1.575 1.00 0.00 N ATOM 590 CA LEU A 39 2.159 6.999 -0.711 1.00 0.00 C ATOM 591 C LEU A 39 3.267 6.133 -1.313 1.00 0.00 C ATOM 592 O LEU A 39 3.032 5.389 -2.263 1.00 0.00 O ATOM 593 CB LEU A 39 0.855 6.240 -0.456 1.00 0.00 C ATOM 594 CG LEU A 39 0.814 5.384 0.811 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.800 6.261 2.065 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.367 4.411 0.778 1.00 0.00 C ATOM 0 H LEU A 39 1.064 8.091 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 39 2.507 7.327 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.040 6.963 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.660 5.595 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 39 1.724 4.784 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.771 5.628 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.699 6.877 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.080 6.904 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.373 3.815 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.299 4.972 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.272 3.752 -0.085 1.00 0.00 H new ATOM 608 N ASP A 40 4.453 6.259 -0.734 1.00 0.00 N ATOM 609 CA ASP A 40 5.598 5.497 -1.201 1.00 0.00 C ATOM 610 C ASP A 40 5.846 4.323 -0.252 1.00 0.00 C ATOM 611 O ASP A 40 6.162 4.524 0.920 1.00 0.00 O ATOM 612 CB ASP A 40 6.861 6.361 -1.225 1.00 0.00 C ATOM 613 CG ASP A 40 8.056 5.739 -1.950 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.930 4.559 -2.343 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.069 6.457 -2.095 1.00 0.00 O ATOM 0 H ASP A 40 4.645 6.877 0.054 1.00 0.00 H new ATOM 0 HA ASP A 40 5.381 5.146 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.623 7.313 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.152 6.581 -0.198 1.00 0.00 H new ATOM 620 N THR A 41 5.693 3.124 -0.793 1.00 0.00 N ATOM 621 CA THR A 41 5.896 1.917 -0.008 1.00 0.00 C ATOM 622 C THR A 41 7.388 1.593 0.094 1.00 0.00 C ATOM 623 O THR A 41 7.794 0.775 0.918 1.00 0.00 O ATOM 624 CB THR A 41 5.073 0.796 -0.644 1.00 0.00 C ATOM 625 OG1 THR A 41 5.831 0.415 -1.790 1.00 0.00 O ATOM 626 CG2 THR A 41 3.749 1.297 -1.224 1.00 0.00 C ATOM 0 H THR A 41 5.431 2.961 -1.765 1.00 0.00 H new ATOM 0 HA THR A 41 5.553 2.049 1.018 1.00 0.00 H new ATOM 0 HB THR A 41 4.875 0.025 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.370 -0.310 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.205 0.461 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.150 1.744 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.948 2.044 -1.993 1.00 0.00 H new ATOM 634 N GLN A 42 8.164 2.251 -0.755 1.00 0.00 N ATOM 635 CA GLN A 42 9.602 2.043 -0.770 1.00 0.00 C ATOM 636 C GLN A 42 10.269 2.868 0.332 1.00 0.00 C ATOM 637 O GLN A 42 11.104 2.356 1.076 1.00 0.00 O ATOM 638 CB GLN A 42 10.190 2.382 -2.141 1.00 0.00 C ATOM 639 CG GLN A 42 11.662 2.782 -2.022 1.00 0.00 C ATOM 640 CD GLN A 42 12.457 2.318 -3.245 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.947 1.657 -4.134 1.00 0.00 O ATOM 642 NE2 GLN A 42 13.730 2.701 -3.239 1.00 0.00 N ATOM 0 H GLN A 42 7.824 2.929 -1.437 1.00 0.00 H new ATOM 0 HA GLN A 42 9.799 0.989 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.096 1.522 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.623 3.196 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.741 3.864 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.089 2.346 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.093 3.254 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.344 2.442 -4.011 1.00 0.00 H new ATOM 651 N ALA A 43 9.876 4.131 0.402 1.00 0.00 N ATOM 652 CA ALA A 43 10.425 5.032 1.401 1.00 0.00 C ATOM 653 C ALA A 43 9.840 4.685 2.772 1.00 0.00 C ATOM 654 O ALA A 43 10.498 4.867 3.795 1.00 0.00 O ATOM 655 CB ALA A 43 10.141 6.480 0.995 1.00 0.00 C ATOM 0 H ALA A 43 9.183 4.552 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 43 11.507 4.918 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.553 7.156 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.603 6.684 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.064 6.633 0.922 1.00 0.00 H new ATOM 661 N ASN A 44 8.610 4.193 2.747 1.00 0.00 N ATOM 662 CA ASN A 44 7.929 3.819 3.975 1.00 0.00 C ATOM 663 C ASN A 44 7.542 5.084 4.743 1.00 0.00 C ATOM 664 O ASN A 44 7.404 5.054 5.965 1.00 0.00 O ATOM 665 CB ASN A 44 8.838 2.979 4.875 1.00 0.00 C ATOM 666 CG ASN A 44 8.017 2.177 5.887 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.889 1.784 5.638 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.644 1.957 7.039 1.00 0.00 N ATOM 0 H ASN A 44 8.068 4.045 1.896 1.00 0.00 H new ATOM 0 HA ASN A 44 7.048 3.236 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.433 2.300 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.536 3.630 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.180 1.431 7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.589 2.314 7.182 1.00 0.00 H new ATOM 675 N CYS A 45 7.377 6.165 3.995 1.00 0.00 N ATOM 676 CA CYS A 45 7.008 7.438 4.591 1.00 0.00 C ATOM 677 C CYS A 45 6.123 8.194 3.598 1.00 0.00 C ATOM 678 O CYS A 45 6.249 8.016 2.388 1.00 0.00 O ATOM 679 CB CYS A 45 8.239 8.252 4.994 1.00 0.00 C ATOM 680 SG CYS A 45 9.518 7.148 5.696 1.00 0.00 S ATOM 0 H CYS A 45 7.492 6.186 2.982 1.00 0.00 H new ATOM 0 HA CYS A 45 6.452 7.264 5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.637 8.778 4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.960 9.010 5.726 1.00 0.00 H new ATOM 0 HG CYS A 45 10.465 7.863 6.227 1.00 0.00 H new ATOM 686 N LEU A 46 5.247 9.023 4.148 1.00 0.00 N ATOM 687 CA LEU A 46 4.341 9.807 3.326 1.00 0.00 C ATOM 688 C LEU A 46 4.911 11.216 3.147 1.00 0.00 C ATOM 689 O LEU A 46 5.245 11.882 4.126 1.00 0.00 O ATOM 690 CB LEU A 46 2.929 9.785 3.913 1.00 0.00 C ATOM 691 CG LEU A 46 1.821 10.343 3.018 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.167 11.752 2.532 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.523 9.393 1.857 1.00 0.00 C ATOM 0 H LEU A 46 5.146 9.168 5.152 1.00 0.00 H new ATOM 0 HA LEU A 46 4.254 9.369 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.679 8.755 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.936 10.351 4.845 1.00 0.00 H new ATOM 0 HG LEU A 46 0.910 10.421 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.363 12.126 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.289 12.413 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.095 11.722 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.732 9.814 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.423 9.259 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.202 8.428 2.250 1.00 0.00 H new ATOM 705 N LEU A 47 5.005 11.627 1.891 1.00 0.00 N ATOM 706 CA LEU A 47 5.529 12.944 1.573 1.00 0.00 C ATOM 707 C LEU A 47 4.536 13.678 0.669 1.00 0.00 C ATOM 708 O LEU A 47 4.063 13.121 -0.320 1.00 0.00 O ATOM 709 CB LEU A 47 6.935 12.832 0.978 1.00 0.00 C ATOM 710 CG LEU A 47 7.827 11.738 1.568 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.480 10.908 0.461 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.862 12.330 2.526 1.00 0.00 C ATOM 0 H LEU A 47 4.727 11.071 1.082 1.00 0.00 H new ATOM 0 HA LEU A 47 5.638 13.540 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.842 12.658 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.438 13.791 1.103 1.00 0.00 H new ATOM 0 HG LEU A 47 7.199 11.063 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.109 10.137 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.706 10.438 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.091 11.556 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.482 11.530 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.490 13.040 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.352 12.842 3.342 1.00 0.00 H new ATOM 724 N TRP A 48 4.250 14.917 1.042 1.00 0.00 N ATOM 725 CA TRP A 48 3.322 15.733 0.277 1.00 0.00 C ATOM 726 C TRP A 48 4.057 17.003 -0.157 1.00 0.00 C ATOM 727 O TRP A 48 4.592 17.731 0.677 1.00 0.00 O ATOM 728 CB TRP A 48 2.054 16.022 1.083 1.00 0.00 C ATOM 729 CG TRP A 48 2.313 16.698 2.431 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.622 17.981 2.664 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.274 16.070 3.730 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.784 18.224 4.013 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.565 17.025 4.681 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.000 14.738 4.088 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.611 16.751 6.054 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.050 14.480 5.463 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.342 15.431 6.434 1.00 0.00 C ATOM 0 H TRP A 48 4.644 15.375 1.863 1.00 0.00 H new ATOM 0 HA TRP A 48 2.986 15.203 -0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.396 16.657 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.523 15.085 1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.731 18.730 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.021 19.119 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.769 13.975 3.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.842 17.517 6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.848 13.472 5.792 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.361 15.152 7.477 1.00 0.00 H new ATOM 748 N TYR A 49 4.058 17.230 -1.463 1.00 0.00 N ATOM 749 CA TYR A 49 4.718 18.399 -2.018 1.00 0.00 C ATOM 750 C TYR A 49 3.695 19.436 -2.484 1.00 0.00 C ATOM 751 O TYR A 49 2.683 19.087 -3.091 1.00 0.00 O ATOM 752 CB TYR A 49 5.510 17.901 -3.229 1.00 0.00 C ATOM 753 CG TYR A 49 6.273 16.598 -2.981 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.480 16.622 -2.313 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.753 15.399 -3.425 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.198 15.396 -2.080 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.471 14.173 -3.192 1.00 0.00 C ATOM 758 CZ TYR A 49 7.658 14.232 -2.531 1.00 0.00 C ATOM 759 OH TYR A 49 8.336 13.074 -2.310 1.00 0.00 O ATOM 0 H TYR A 49 3.612 16.624 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 49 5.353 18.873 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.824 17.755 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.218 18.673 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.886 17.560 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.808 15.380 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.144 15.401 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.076 13.228 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 49 7.831 12.323 -2.686 1.00 0.00 H new ATOM 769 N MET A 50 3.993 20.692 -2.183 1.00 0.00 N ATOM 770 CA MET A 50 3.111 21.782 -2.563 1.00 0.00 C ATOM 771 C MET A 50 2.471 21.519 -3.928 1.00 0.00 C ATOM 772 O MET A 50 1.299 21.827 -4.138 1.00 0.00 O ATOM 773 CB MET A 50 3.907 23.088 -2.615 1.00 0.00 C ATOM 774 CG MET A 50 3.805 23.845 -1.290 1.00 0.00 C ATOM 775 SD MET A 50 3.101 25.462 -1.563 1.00 0.00 S ATOM 776 CE MET A 50 1.398 25.013 -1.857 1.00 0.00 C ATOM 0 H MET A 50 4.833 20.979 -1.680 1.00 0.00 H new ATOM 0 HA MET A 50 2.318 21.859 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.953 22.872 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.533 23.714 -3.425 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.188 23.284 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.793 23.941 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.744 25.682 -1.298 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.178 25.096 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.231 23.986 -1.531 1.00 0.00 H new ATOM 786 N ASP A 51 3.269 20.953 -4.821 1.00 0.00 N ATOM 787 CA ASP A 51 2.796 20.645 -6.159 1.00 0.00 C ATOM 788 C ASP A 51 3.449 19.347 -6.641 1.00 0.00 C ATOM 789 O ASP A 51 4.400 18.863 -6.030 1.00 0.00 O ATOM 790 CB ASP A 51 3.168 21.755 -7.144 1.00 0.00 C ATOM 791 CG ASP A 51 2.002 22.637 -7.595 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.082 22.828 -6.769 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.056 23.101 -8.754 1.00 0.00 O ATOM 0 H ASP A 51 4.241 20.700 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 51 1.711 20.547 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.927 22.389 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.622 21.301 -8.025 1.00 0.00 H new ATOM 936 N VAL A 63 6.752 19.593 1.922 1.00 0.00 N ATOM 937 CA VAL A 63 6.045 20.491 2.820 1.00 0.00 C ATOM 938 C VAL A 63 5.866 19.809 4.178 1.00 0.00 C ATOM 939 O VAL A 63 5.846 20.475 5.213 1.00 0.00 O ATOM 940 CB VAL A 63 4.721 20.925 2.189 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.273 22.283 2.734 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.823 20.953 0.663 1.00 0.00 C ATOM 0 HA VAL A 63 6.623 21.400 2.987 1.00 0.00 H new ATOM 0 HB VAL A 63 3.964 20.189 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.329 22.568 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.140 22.216 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.030 23.034 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.868 21.265 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.600 21.657 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.074 19.958 0.297 1.00 0.00 H new ATOM 952 N GLY A 64 5.739 18.491 4.131 1.00 0.00 N ATOM 953 CA GLY A 64 5.562 17.713 5.345 1.00 0.00 C ATOM 954 C GLY A 64 5.637 16.213 5.051 1.00 0.00 C ATOM 955 O GLY A 64 5.110 15.748 4.042 1.00 0.00 O ATOM 0 H GLY A 64 5.755 17.942 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.330 17.984 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.599 17.951 5.797 1.00 0.00 H new ATOM 959 N SER A 65 6.298 15.499 5.950 1.00 0.00 N ATOM 960 CA SER A 65 6.450 14.062 5.799 1.00 0.00 C ATOM 961 C SER A 65 5.717 13.337 6.930 1.00 0.00 C ATOM 962 O SER A 65 5.497 13.906 7.998 1.00 0.00 O ATOM 963 CB SER A 65 7.927 13.662 5.783 1.00 0.00 C ATOM 964 OG SER A 65 8.634 14.187 6.903 1.00 0.00 O ATOM 0 H SER A 65 6.734 15.889 6.786 1.00 0.00 H new ATOM 0 HA SER A 65 6.012 13.771 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.008 12.575 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.389 14.019 4.863 1.00 0.00 H new ATOM 0 HG SER A 65 9.572 13.908 6.857 1.00 0.00 H new ATOM 970 N LEU A 66 5.358 12.091 6.656 1.00 0.00 N ATOM 971 CA LEU A 66 4.654 11.282 7.637 1.00 0.00 C ATOM 972 C LEU A 66 5.167 9.843 7.567 1.00 0.00 C ATOM 973 O LEU A 66 4.748 9.072 6.705 1.00 0.00 O ATOM 974 CB LEU A 66 3.141 11.406 7.447 1.00 0.00 C ATOM 975 CG LEU A 66 2.376 12.088 8.583 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.893 12.236 8.234 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.582 11.347 9.906 1.00 0.00 C ATOM 0 H LEU A 66 5.541 11.622 5.769 1.00 0.00 H new ATOM 0 HA LEU A 66 4.856 11.644 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.955 11.959 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.729 10.407 7.307 1.00 0.00 H new ATOM 0 HG LEU A 66 2.779 13.093 8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.372 12.724 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.790 12.839 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.459 11.251 8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.027 11.853 10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.223 10.323 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.643 11.337 10.156 1.00 0.00 H new ATOM 989 N GLN A 67 6.066 9.523 8.487 1.00 0.00 N ATOM 990 CA GLN A 67 6.640 8.190 8.540 1.00 0.00 C ATOM 991 C GLN A 67 5.564 7.162 8.897 1.00 0.00 C ATOM 992 O GLN A 67 4.964 7.233 9.968 1.00 0.00 O ATOM 993 CB GLN A 67 7.803 8.133 9.533 1.00 0.00 C ATOM 994 CG GLN A 67 8.836 9.220 9.230 1.00 0.00 C ATOM 995 CD GLN A 67 10.001 8.658 8.414 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.330 9.398 7.359 1.00 0.00 O flip ATOM 997 NE2 GLN A 67 10.564 7.620 8.721 1.00 0.00 N flip ATOM 0 H GLN A 67 6.410 10.164 9.201 1.00 0.00 H new ATOM 0 HA GLN A 67 7.035 7.946 7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.426 8.258 10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.277 7.153 9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.362 10.034 8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.211 9.641 10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.261 7.100 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.337 7.272 8.154 1.00 0.00 H new ATOM 1006 N LEU A 68 5.353 6.231 7.979 1.00 0.00 N ATOM 1007 CA LEU A 68 4.360 5.190 8.183 1.00 0.00 C ATOM 1008 C LEU A 68 4.502 4.626 9.598 1.00 0.00 C ATOM 1009 O LEU A 68 3.523 4.181 10.195 1.00 0.00 O ATOM 1010 CB LEU A 68 4.462 4.129 7.085 1.00 0.00 C ATOM 1011 CG LEU A 68 4.272 4.628 5.651 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.272 3.462 4.661 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.008 5.482 5.531 1.00 0.00 C ATOM 0 H LEU A 68 5.853 6.176 7.092 1.00 0.00 H new ATOM 0 HA LEU A 68 3.354 5.602 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.440 3.653 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.717 3.358 7.282 1.00 0.00 H new ATOM 0 HG LEU A 68 5.118 5.267 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.135 3.844 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.222 2.932 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.458 2.779 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.896 5.824 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.139 4.887 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.087 6.344 6.193 1.00 0.00 H new ATOM 1025 N THR A 69 5.730 4.663 10.095 1.00 0.00 N ATOM 1026 CA THR A 69 6.013 4.160 11.429 1.00 0.00 C ATOM 1027 C THR A 69 4.929 4.612 12.409 1.00 0.00 C ATOM 1028 O THR A 69 4.468 3.825 13.235 1.00 0.00 O ATOM 1029 CB THR A 69 7.418 4.624 11.820 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.324 6.046 11.828 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.456 4.325 10.737 1.00 0.00 C ATOM 0 H THR A 69 6.540 5.033 9.598 1.00 0.00 H new ATOM 0 HA THR A 69 5.996 3.070 11.454 1.00 0.00 H new ATOM 0 HB THR A 69 7.715 4.139 12.750 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.102 6.354 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.435 4.674 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.495 3.251 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.178 4.837 9.816 1.00 0.00 H new ATOM 1039 N TYR A 70 4.554 5.876 12.286 1.00 0.00 N ATOM 1040 CA TYR A 70 3.532 6.441 13.152 1.00 0.00 C ATOM 1041 C TYR A 70 2.160 5.836 12.848 1.00 0.00 C ATOM 1042 O TYR A 70 1.547 5.214 13.715 1.00 0.00 O ATOM 1043 CB TYR A 70 3.496 7.939 12.839 1.00 0.00 C ATOM 1044 CG TYR A 70 4.654 8.730 13.450 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.915 8.648 12.896 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.437 9.526 14.557 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.004 9.393 13.471 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.527 10.271 15.133 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.756 10.168 14.561 1.00 0.00 C ATOM 1050 OH TYR A 70 7.786 10.871 15.105 1.00 0.00 O ATOM 0 H TYR A 70 4.939 6.526 11.600 1.00 0.00 H new ATOM 0 HA TYR A 70 3.760 6.237 14.198 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.508 8.074 11.757 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.555 8.353 13.202 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.085 8.025 12.031 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.450 9.590 14.991 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.996 9.338 13.047 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.372 10.897 15.999 1.00 0.00 H new ATOM 0 HH TYR A 70 7.462 11.381 15.877 1.00 0.00 H new ATOM 1060 N ILE A 71 1.719 6.038 11.616 1.00 0.00 N ATOM 1061 CA ILE A 71 0.431 5.520 11.187 1.00 0.00 C ATOM 1062 C ILE A 71 0.288 4.071 11.655 1.00 0.00 C ATOM 1063 O ILE A 71 1.237 3.292 11.574 1.00 0.00 O ATOM 1064 CB ILE A 71 0.256 5.699 9.678 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.235 7.182 9.301 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -0.989 4.963 9.179 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.503 7.572 8.539 1.00 0.00 C ATOM 0 H ILE A 71 2.231 6.554 10.900 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.379 6.086 11.647 1.00 0.00 H new ATOM 0 HB ILE A 71 1.116 5.252 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.641 7.393 8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.147 7.789 10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.090 5.107 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.894 3.899 9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.871 5.358 9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.463 8.631 8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.376 7.383 9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.575 6.981 7.626 1.00 0.00 H new ATOM 1079 N SER A 72 -0.905 3.752 12.135 1.00 0.00 N ATOM 1080 CA SER A 72 -1.185 2.410 12.616 1.00 0.00 C ATOM 1081 C SER A 72 -2.408 1.839 11.896 1.00 0.00 C ATOM 1082 O SER A 72 -2.390 0.695 11.446 1.00 0.00 O ATOM 1083 CB SER A 72 -1.409 2.402 14.129 1.00 0.00 C ATOM 1084 OG SER A 72 -1.345 1.086 14.672 1.00 0.00 O ATOM 0 H SER A 72 -1.689 4.401 12.201 1.00 0.00 H new ATOM 0 HA SER A 72 -0.319 1.783 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.658 3.029 14.610 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.382 2.840 14.354 1.00 0.00 H new ATOM 0 HG SER A 72 -1.491 1.124 15.640 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.441 2.664 11.808 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.671 2.256 11.150 1.00 0.00 C ATOM 1092 C LYS A 73 -5.266 3.453 10.404 1.00 0.00 C ATOM 1093 O LYS A 73 -5.129 4.593 10.844 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.631 1.620 12.156 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.068 1.641 11.632 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.860 0.439 12.152 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.494 0.746 13.509 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.008 -0.203 14.536 1.00 0.00 N ATOM 0 H LYS A 73 -3.452 3.613 12.181 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.468 1.485 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.327 0.592 12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.578 2.156 13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.558 2.565 11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.061 1.633 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.637 0.173 11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.201 -0.424 12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.254 1.767 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.579 0.683 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.449 0.020 15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.259 -1.173 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.975 -0.123 14.621 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.913 3.151 9.288 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.530 4.187 8.477 1.00 0.00 C ATOM 1114 C VAL A 74 -8.005 3.846 8.257 1.00 0.00 C ATOM 1115 O VAL A 74 -8.337 3.044 7.385 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.754 4.359 7.170 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.324 5.512 6.341 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.262 4.564 7.440 1.00 0.00 C ATOM 0 H VAL A 74 -6.023 2.204 8.926 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.492 5.148 8.991 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.867 3.442 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.754 5.612 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.368 5.308 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.257 6.438 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.734 4.684 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.122 5.457 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.866 3.698 7.970 1.00 0.00 H new ATOM 1128 N SER A 75 -8.851 4.472 9.062 1.00 0.00 N ATOM 1129 CA SER A 75 -10.283 4.245 8.966 1.00 0.00 C ATOM 1130 C SER A 75 -10.989 5.533 8.539 1.00 0.00 C ATOM 1131 O SER A 75 -10.438 6.624 8.680 1.00 0.00 O ATOM 1132 CB SER A 75 -10.851 3.743 10.294 1.00 0.00 C ATOM 1133 OG SER A 75 -12.274 3.676 10.275 1.00 0.00 O ATOM 0 H SER A 75 -8.572 5.136 9.784 1.00 0.00 H new ATOM 0 HA SER A 75 -10.458 3.476 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.445 2.755 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.530 4.404 11.099 1.00 0.00 H new ATOM 0 HG SER A 75 -12.598 3.349 11.140 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.199 5.364 8.025 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.986 6.500 7.576 1.00 0.00 C ATOM 1141 C ILE A 76 -13.506 7.267 8.794 1.00 0.00 C ATOM 1142 O ILE A 76 -14.169 6.693 9.656 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.089 6.043 6.620 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.514 5.191 5.486 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.887 7.237 6.092 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.295 5.867 4.857 1.00 0.00 C ATOM 0 H ILE A 76 -12.653 4.458 7.910 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.367 7.191 7.004 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.783 5.413 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.233 4.210 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.277 5.029 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.665 6.884 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.346 7.766 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.220 7.913 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.906 5.241 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.585 6.837 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.524 6.006 5.615 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.186 8.552 8.824 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.613 9.404 9.922 1.00 0.00 C ATOM 1160 C ALA A 77 -15.059 9.066 10.291 1.00 0.00 C ATOM 1161 O ALA A 77 -15.932 9.031 9.425 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.439 10.872 9.526 1.00 0.00 C ATOM 0 H ALA A 77 -12.636 9.024 8.106 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.999 9.230 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.759 11.511 10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.390 11.067 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.044 11.085 8.645 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.317 11.932 1.893 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.129 11.129 1.654 1.00 0.00 C ATOM 1323 C PHE A 87 -13.934 11.669 2.441 1.00 0.00 C ATOM 1324 O PHE A 87 -13.024 12.263 1.865 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.823 11.220 0.157 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.062 11.394 -0.722 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.017 10.426 -0.752 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.209 12.518 -1.475 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.168 10.588 -1.568 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.360 12.680 -2.291 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.315 11.712 -2.321 1.00 0.00 C ATOM 0 HA PHE A 87 -15.304 10.101 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.148 12.058 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.296 10.317 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.900 9.534 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.451 13.287 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.926 9.819 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.477 13.572 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.190 11.835 -2.942 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.975 11.444 3.746 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.906 11.901 4.618 1.00 0.00 C ATOM 1343 C CYS A 88 -12.436 10.715 5.463 1.00 0.00 C ATOM 1344 O CYS A 88 -13.247 10.033 6.088 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.349 13.080 5.486 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.634 14.636 4.840 1.00 0.00 S ATOM 0 H CYS A 88 -14.732 10.951 4.221 1.00 0.00 H new ATOM 0 HA CYS A 88 -12.075 12.270 4.017 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.437 13.147 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.030 12.924 6.516 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.345 14.623 5.007 1.00 0.00 H new ATOM 1352 N PHE A 89 -11.128 10.506 5.456 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.540 9.415 6.214 1.00 0.00 C ATOM 1354 C PHE A 89 -9.615 9.945 7.311 1.00 0.00 C ATOM 1355 O PHE A 89 -8.993 10.994 7.150 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.719 8.578 5.231 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.488 9.299 4.678 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.328 9.309 5.388 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.554 9.931 3.475 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.186 9.977 4.874 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.411 10.600 2.961 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.252 10.609 3.672 1.00 0.00 C ATOM 0 H PHE A 89 -10.458 11.074 4.937 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.325 8.828 6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.398 7.663 5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.358 8.282 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.276 8.808 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.475 9.924 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.265 9.983 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.463 11.101 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.383 11.118 3.282 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.553 9.196 8.403 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.715 9.578 9.526 1.00 0.00 C ATOM 1374 C VAL A 90 -7.541 8.603 9.635 1.00 0.00 C ATOM 1375 O VAL A 90 -7.740 7.391 9.699 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.553 9.650 10.804 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.687 9.405 12.042 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.285 10.990 10.904 1.00 0.00 C ATOM 0 H VAL A 90 -10.070 8.326 8.533 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.298 10.573 9.370 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.303 8.860 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.307 9.462 12.937 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.232 8.417 11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.905 10.162 12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.873 11.016 11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.558 11.802 10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.946 11.108 10.045 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.343 9.169 9.652 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.137 8.364 9.752 1.00 0.00 C ATOM 1390 C ILE A 91 -4.794 8.148 11.228 1.00 0.00 C ATOM 1391 O ILE A 91 -4.310 9.059 11.897 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.002 8.997 8.944 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.159 8.698 7.452 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.637 8.555 9.476 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.221 9.571 6.616 1.00 0.00 C ATOM 0 H ILE A 91 -6.182 10.175 9.598 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.299 7.379 9.314 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.059 10.079 9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.946 7.646 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.191 8.873 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.848 9.019 8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.536 8.860 10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.553 7.471 9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.353 9.338 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.453 10.622 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.188 9.375 6.905 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.059 6.935 11.692 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.785 6.587 13.076 1.00 0.00 C ATOM 1409 C ASN A 92 -3.304 6.234 13.225 1.00 0.00 C ATOM 1410 O ASN A 92 -2.810 5.323 12.562 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.607 5.373 13.512 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.476 5.706 14.726 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.999 6.120 15.769 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.776 5.502 14.533 1.00 0.00 N ATOM 0 H ASN A 92 -5.460 6.181 11.134 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.049 7.443 13.697 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.239 5.042 12.688 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.940 4.546 13.754 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.439 5.694 15.284 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.110 5.153 13.634 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.637 6.974 14.098 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.222 6.750 14.343 1.00 0.00 C ATOM 1423 C ALA A 93 -1.001 6.496 15.835 1.00 0.00 C ATOM 1424 O ALA A 93 -1.866 5.938 16.508 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.420 7.948 13.830 1.00 0.00 C ATOM 0 H ALA A 93 -3.050 7.730 14.645 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.873 5.869 13.804 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.641 7.781 14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.589 8.068 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.740 8.850 14.351 1.00 0.00 H new ATOM 1431 N LEU A 94 0.162 6.918 16.308 1.00 0.00 N ATOM 1432 CA LEU A 94 0.509 6.743 17.709 1.00 0.00 C ATOM 1433 C LEU A 94 -0.726 7.008 18.572 1.00 0.00 C ATOM 1434 O LEU A 94 -1.309 6.079 19.130 1.00 0.00 O ATOM 1435 CB LEU A 94 1.713 7.611 18.075 1.00 0.00 C ATOM 1436 CG LEU A 94 2.895 7.564 17.104 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.187 8.012 17.791 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.032 6.176 16.475 1.00 0.00 C ATOM 0 H LEU A 94 0.877 7.381 15.746 1.00 0.00 H new ATOM 0 HA LEU A 94 0.817 5.715 17.900 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.378 8.645 18.159 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.066 7.310 19.061 1.00 0.00 H new ATOM 0 HG LEU A 94 2.701 8.267 16.294 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.011 7.969 17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.072 9.034 18.152 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.400 7.352 18.632 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.879 6.169 15.789 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.194 5.436 17.259 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.121 5.933 15.928 1.00 0.00 H new ATOM 1450 N SER A 95 -1.089 8.280 18.655 1.00 0.00 N ATOM 1451 CA SER A 95 -2.244 8.679 19.441 1.00 0.00 C ATOM 1452 C SER A 95 -2.836 9.974 18.880 1.00 0.00 C ATOM 1453 O SER A 95 -3.410 10.769 19.622 1.00 0.00 O ATOM 1454 CB SER A 95 -1.872 8.859 20.914 1.00 0.00 C ATOM 1455 OG SER A 95 -2.093 7.672 21.670 1.00 0.00 O ATOM 0 H SER A 95 -0.603 9.047 18.191 1.00 0.00 H new ATOM 0 HA SER A 95 -2.991 7.888 19.378 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.824 9.147 20.990 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.458 9.674 21.339 1.00 0.00 H new ATOM 0 HG SER A 95 -1.918 6.889 21.108 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.675 10.144 17.576 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.187 11.329 16.908 1.00 0.00 C ATOM 1463 C GLN A 96 -4.098 10.931 15.745 1.00 0.00 C ATOM 1464 O GLN A 96 -4.015 9.811 15.242 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.043 12.224 16.427 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.539 13.242 15.398 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.409 14.178 14.964 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.240 13.943 15.222 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.822 15.249 14.292 1.00 0.00 N ATOM 0 H GLN A 96 -2.198 9.482 16.964 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.775 11.901 17.625 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.603 12.746 17.277 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.257 11.610 15.987 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.938 12.720 14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.356 13.825 15.823 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.816 15.385 14.110 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.144 15.934 13.958 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.947 11.869 15.352 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.872 11.630 14.258 1.00 0.00 C ATOM 1480 C ARG A 97 -5.787 12.763 13.233 1.00 0.00 C ATOM 1481 O ARG A 97 -6.154 13.900 13.527 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.311 11.520 14.768 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.833 12.881 15.232 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.967 12.715 16.247 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.679 13.510 17.461 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.299 13.337 18.637 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.244 12.396 18.763 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.972 14.105 19.686 1.00 0.00 N ATOM 0 H ARG A 97 -5.014 12.796 15.772 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.592 10.688 13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.952 11.131 13.977 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.355 10.809 15.593 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.020 13.453 15.679 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.189 13.450 14.373 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.911 13.037 15.807 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.080 11.663 16.509 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.964 14.235 17.399 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.491 11.812 17.964 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.716 12.264 19.657 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.252 14.821 19.589 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.444 13.974 20.581 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.300 12.413 12.051 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.162 13.387 10.981 1.00 0.00 C ATOM 1504 C TYR A 98 -6.402 13.396 10.085 1.00 0.00 C ATOM 1505 O TYR A 98 -6.751 12.376 9.492 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.954 12.938 10.156 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.621 13.038 10.900 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.369 12.215 11.979 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.670 13.951 10.492 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.114 12.310 12.679 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.415 14.045 11.192 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.199 13.220 12.251 1.00 0.00 C ATOM 1513 OH TYR A 98 0.986 13.309 12.912 1.00 0.00 O ATOM 0 H TYR A 98 -4.996 11.469 11.811 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.040 14.391 11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.106 11.906 9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.900 13.543 9.251 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.113 11.500 12.298 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.867 14.595 9.648 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.904 11.672 13.525 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.338 14.755 10.883 1.00 0.00 H new ATOM 0 HH TYR A 98 0.822 13.562 13.844 1.00 0.00 H new ATOM 1523 N PHE A 99 -7.033 14.559 10.014 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.226 14.714 9.200 1.00 0.00 C ATOM 1525 C PHE A 99 -7.876 15.249 7.810 1.00 0.00 C ATOM 1526 O PHE A 99 -7.541 16.423 7.658 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.125 15.728 9.912 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.728 15.214 11.220 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.224 13.949 11.290 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.768 16.021 12.314 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.784 13.472 12.504 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.328 15.544 13.528 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.825 14.279 13.598 1.00 0.00 C ATOM 0 H PHE A 99 -6.740 15.403 10.507 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.719 13.750 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.546 16.628 10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.933 16.016 9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.192 13.308 10.422 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.374 17.025 12.259 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.178 12.468 12.559 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.360 16.185 14.396 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.252 13.916 14.521 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.965 14.361 6.830 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.661 14.729 5.457 1.00 0.00 C ATOM 1545 C LEU A 100 -8.947 14.696 4.629 1.00 0.00 C ATOM 1546 O LEU A 100 -9.905 14.015 4.990 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.547 13.842 4.899 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.269 13.764 5.736 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.402 12.714 6.842 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -4.047 13.511 4.851 1.00 0.00 C ATOM 0 H LEU A 100 -8.243 13.388 6.959 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.278 15.748 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.940 12.833 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.285 14.204 3.905 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.120 14.728 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.480 12.678 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.233 12.978 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.588 11.737 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.152 13.460 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.173 12.569 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.944 14.324 4.132 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.927 15.441 3.533 1.00 0.00 N ATOM 1563 CA GLN A 101 -10.079 15.506 2.650 1.00 0.00 C ATOM 1564 C GLN A 101 -9.677 15.123 1.225 1.00 0.00 C ATOM 1565 O GLN A 101 -8.706 15.653 0.686 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.720 16.894 2.686 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.135 16.860 2.105 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.674 18.276 1.892 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.440 18.911 0.877 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.408 18.733 2.903 1.00 0.00 N ATOM 0 H GLN A 101 -8.130 16.005 3.237 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.823 14.791 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.754 17.256 3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.108 17.596 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.130 16.322 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.795 16.313 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.565 18.149 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.814 19.668 2.857 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.445 14.207 0.653 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.181 13.748 -0.700 1.00 0.00 C ATOM 1581 C ALA A 102 -11.006 14.578 -1.685 1.00 0.00 C ATOM 1582 O ALA A 102 -11.747 15.472 -1.281 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.485 12.251 -0.800 1.00 0.00 C ATOM 0 H ALA A 102 -11.250 13.770 1.102 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.130 13.884 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.287 11.907 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.852 11.704 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.532 12.075 -0.555 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.849 14.252 -2.960 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.571 14.956 -4.007 1.00 0.00 C ATOM 1591 C ASN A 103 -12.940 14.303 -4.204 1.00 0.00 C ATOM 1592 O ASN A 103 -13.970 14.967 -4.091 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.818 14.887 -5.337 1.00 0.00 C ATOM 1594 CG ASN A 103 -10.013 16.165 -5.579 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.326 16.973 -6.438 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.962 16.303 -4.776 1.00 0.00 N ATOM 0 H ASN A 103 -10.233 13.510 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.673 15.998 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.149 14.026 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.526 14.739 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.361 17.123 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.756 15.589 -4.078 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.908 13.011 -4.495 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.135 12.262 -4.709 1.00 0.00 C ATOM 1605 C ASP A 104 -14.205 11.110 -3.705 1.00 0.00 C ATOM 1606 O ASP A 104 -13.638 11.195 -2.617 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.176 11.664 -6.117 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.656 12.582 -7.225 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -14.159 13.724 -7.299 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.767 12.122 -7.973 1.00 0.00 O ATOM 0 H ASP A 104 -12.052 12.464 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.974 12.946 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.590 10.745 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.205 11.387 -6.348 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.907 10.060 -4.105 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.059 8.893 -3.253 1.00 0.00 C ATOM 1617 C GLN A 105 -13.978 7.858 -3.573 1.00 0.00 C ATOM 1618 O GLN A 105 -13.638 7.030 -2.730 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.457 8.288 -3.397 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.488 6.849 -2.878 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.862 6.214 -3.102 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.664 6.071 -2.194 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.087 5.844 -4.360 1.00 0.00 N ATOM 0 H GLN A 105 -15.377 9.993 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.939 9.206 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.177 8.893 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.759 8.307 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.724 6.259 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.247 6.837 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.371 5.993 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.975 5.411 -4.613 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.470 7.938 -4.794 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.435 7.019 -5.236 1.00 0.00 C ATOM 1634 C LYS A 106 -11.133 7.328 -4.493 1.00 0.00 C ATOM 1635 O LYS A 106 -10.672 6.526 -3.682 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.298 7.058 -6.759 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.974 5.670 -7.316 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.446 5.765 -8.749 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.978 4.614 -9.606 1.00 0.00 C ATOM 1640 NZ LYS A 106 -11.912 4.964 -11.043 1.00 0.00 N ATOM 0 H LYS A 106 -13.756 8.625 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.707 5.993 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.224 7.424 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.512 7.759 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.232 5.184 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.868 5.047 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.743 6.718 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.356 5.744 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.394 3.713 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.008 4.391 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.277 4.172 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.488 5.811 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.925 5.154 -11.309 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.578 8.492 -4.796 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.339 8.916 -4.168 1.00 0.00 C ATOM 1656 C ASP A 107 -9.416 8.646 -2.664 1.00 0.00 C ATOM 1657 O ASP A 107 -8.450 8.179 -2.063 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.106 10.415 -4.367 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.652 10.814 -4.626 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.834 9.888 -4.819 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.390 12.037 -4.625 1.00 0.00 O ATOM 0 H ASP A 107 -10.964 9.155 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.521 8.359 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.715 10.754 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.460 10.943 -3.482 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.575 8.950 -2.099 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.791 8.746 -0.677 1.00 0.00 C ATOM 1668 C LEU A 108 -10.501 7.285 -0.326 1.00 0.00 C ATOM 1669 O LEU A 108 -9.507 6.987 0.334 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.194 9.207 -0.276 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.664 8.792 1.120 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.277 7.391 1.097 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.526 8.904 2.137 1.00 0.00 C ATOM 0 H LEU A 108 -11.375 9.336 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.101 9.358 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.230 10.294 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.904 8.820 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.447 9.481 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.603 7.120 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.133 7.379 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.533 6.674 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.886 8.603 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.705 8.253 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.175 9.935 2.179 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.387 6.412 -0.784 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.238 4.990 -0.527 1.00 0.00 C ATOM 1687 C LYS A 109 -9.814 4.558 -0.881 1.00 0.00 C ATOM 1688 O LYS A 109 -9.112 3.981 -0.052 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.322 4.197 -1.261 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.371 3.668 -0.282 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.375 2.138 -0.255 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.798 1.595 -0.116 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.347 1.235 -1.442 1.00 0.00 N ATOM 0 H LYS A 109 -12.210 6.663 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.381 4.777 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.802 4.833 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.868 3.364 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.167 4.052 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.357 4.033 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.923 1.754 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.764 1.784 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.798 0.720 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.434 2.343 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.314 0.868 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.365 2.078 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.748 0.505 -1.879 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.429 4.855 -2.114 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.101 4.504 -2.588 1.00 0.00 C ATOM 1709 C ASP A 110 -7.067 4.896 -1.531 1.00 0.00 C ATOM 1710 O ASP A 110 -6.356 4.041 -1.006 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.763 5.251 -3.880 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.280 4.593 -5.161 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.731 3.432 -5.061 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.211 5.266 -6.212 1.00 0.00 O ATOM 0 H ASP A 110 -10.013 5.335 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.082 3.431 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.172 6.259 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.680 5.350 -3.952 1.00 0.00 H new ATOM 1719 N TRP A 111 -7.016 6.190 -1.251 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.081 6.706 -0.266 1.00 0.00 C ATOM 1721 C TRP A 111 -6.155 5.809 0.972 1.00 0.00 C ATOM 1722 O TRP A 111 -5.137 5.293 1.431 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.366 8.177 0.044 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.540 9.160 -0.789 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.981 10.061 -1.677 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.104 9.304 -0.775 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.938 10.773 -2.234 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.761 10.298 -1.668 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.128 8.617 -0.032 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.439 10.695 -1.902 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.812 9.025 -0.277 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.449 10.024 -1.173 1.00 0.00 C ATOM 0 H TRP A 111 -7.607 6.896 -1.689 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.062 6.683 -0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.425 8.375 -0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.171 8.359 1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.021 10.211 -1.926 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.017 11.512 -2.933 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.374 7.836 0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.196 11.476 -2.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.023 8.529 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.409 10.281 -1.306 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.370 5.651 1.477 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.590 4.826 2.652 1.00 0.00 C ATOM 1745 C VAL A 112 -6.968 3.447 2.426 1.00 0.00 C ATOM 1746 O VAL A 112 -6.162 2.985 3.232 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.085 4.762 2.974 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.343 3.900 4.211 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.668 6.165 3.152 1.00 0.00 C ATOM 0 H VAL A 112 -8.212 6.081 1.094 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.102 5.264 3.523 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.590 4.294 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.413 3.871 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.981 2.888 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.819 4.326 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.731 6.091 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.156 6.671 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.533 6.735 2.232 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.366 2.827 1.324 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.857 1.510 0.981 1.00 0.00 C ATOM 1761 C GLU A 113 -5.328 1.528 0.930 1.00 0.00 C ATOM 1762 O GLU A 113 -4.673 0.683 1.538 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.445 1.023 -0.345 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.968 1.170 -0.357 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.637 -0.108 -0.866 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.639 -1.094 -0.097 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.132 -0.071 -2.014 1.00 0.00 O ATOM 0 H GLU A 113 -8.035 3.213 0.658 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.166 0.809 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.015 1.593 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.176 -0.021 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.323 1.395 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.251 2.010 -0.991 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.804 2.501 0.198 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.364 2.640 0.060 1.00 0.00 C ATOM 1776 C ALA A 114 -2.735 2.792 1.446 1.00 0.00 C ATOM 1777 O ALA A 114 -1.734 2.146 1.752 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.052 3.826 -0.856 1.00 0.00 C ATOM 0 H ALA A 114 -5.351 3.200 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.934 1.750 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.972 3.931 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.496 3.655 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.465 4.738 -0.424 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.348 3.651 2.248 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.860 3.896 3.594 1.00 0.00 C ATOM 1786 C LEU A 115 -3.128 2.665 4.461 1.00 0.00 C ATOM 1787 O LEU A 115 -2.524 2.503 5.520 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.462 5.186 4.155 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.036 6.482 3.462 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.072 7.587 3.679 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.638 6.911 3.913 1.00 0.00 C ATOM 0 H LEU A 115 -4.178 4.185 1.991 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.781 4.052 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.548 5.109 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.198 5.258 5.210 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.985 6.294 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.744 8.497 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.032 7.272 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.179 7.781 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.359 7.835 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.638 7.075 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.920 6.130 3.664 1.00 0.00 H new ATOM 1803 N ASN A 116 -4.035 1.828 3.980 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.391 0.615 4.698 1.00 0.00 C ATOM 1805 C ASN A 116 -3.426 -0.506 4.306 1.00 0.00 C ATOM 1806 O ASN A 116 -3.324 -1.513 5.004 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.810 0.163 4.346 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.716 0.195 5.578 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.850 -0.774 6.308 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.331 1.359 5.768 1.00 0.00 N ATOM 0 H ASN A 116 -4.535 1.965 3.101 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.335 0.826 5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.220 0.811 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.783 -0.847 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.959 1.480 6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.175 2.130 5.119 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.744 -0.293 3.190 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.791 -1.273 2.697 1.00 0.00 C ATOM 1819 C GLN A 117 -0.382 -0.937 3.189 1.00 0.00 C ATOM 1820 O GLN A 117 0.254 -1.747 3.862 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.834 -1.359 1.170 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.167 -1.936 0.690 1.00 0.00 C ATOM 1823 CD GLN A 117 -2.948 -2.991 -0.396 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.034 -2.724 -1.583 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.661 -4.202 0.075 1.00 0.00 N ATOM 0 H GLN A 117 -2.832 0.544 2.613 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.068 -2.251 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.688 -0.367 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.014 -1.983 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.699 -2.380 1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.796 -1.135 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.604 -4.357 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.498 -4.975 -0.570 1.00 0.00 H new ATOM 1834 N ALA A 118 0.065 0.258 2.833 1.00 0.00 N ATOM 1835 CA ALA A 118 1.388 0.711 3.230 1.00 0.00 C ATOM 1836 C ALA A 118 1.581 0.459 4.726 1.00 0.00 C ATOM 1837 O ALA A 118 2.636 -0.011 5.149 1.00 0.00 O ATOM 1838 CB ALA A 118 1.554 2.186 2.861 1.00 0.00 C ATOM 0 H ALA A 118 -0.465 0.927 2.274 1.00 0.00 H new ATOM 0 HA ALA A 118 2.160 0.153 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.546 2.526 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.437 2.307 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.798 2.777 3.377 1.00 0.00 H new ATOM 1844 N SER A 119 0.546 0.783 5.487 1.00 0.00 N ATOM 1845 CA SER A 119 0.588 0.598 6.928 1.00 0.00 C ATOM 1846 C SER A 119 0.845 -0.874 7.259 1.00 0.00 C ATOM 1847 O SER A 119 1.696 -1.187 8.089 1.00 0.00 O ATOM 1848 CB SER A 119 -0.711 1.070 7.582 1.00 0.00 C ATOM 1849 OG SER A 119 -1.042 0.296 8.732 1.00 0.00 O ATOM 0 H SER A 119 -0.327 1.173 5.133 1.00 0.00 H new ATOM 0 HA SER A 119 1.403 1.201 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.614 2.118 7.866 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.524 1.010 6.858 1.00 0.00 H new ATOM 0 HG SER A 119 -1.503 0.862 9.386 1.00 0.00 H new