USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 1002 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 Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.58) USER MOD Single : R 27 LYS NZ :NH3+ -149:sc= -0.175 (180deg=-0.939) USER MOD Single : R 28 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : R 30 TYR OH : rot 30:sc= -0.014 USER MOD Single : R 31 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.4) USER MOD Single : R 32 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : R 35 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : R 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot 180:sc= -0.77 USER MOD Single : R 53 THR OG1 : rot 180:sc= 0 USER MOD Single : R 98 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.2) USER MOD Single : S 16 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.58) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 27 LYS NZ :NH3+ 157:sc= 0.284 (180deg=-1.32!) USER MOD Single : S 28 ASN : amide:sc= -4.39! K(o=-4.4!,f=-0.34) USER MOD Single : S 30 TYR OH : rot 150:sc= -0.0902 USER MOD Single : S 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 32 ASN : amide:sc= -0.0493 X(o=-0.049,f=-0.038) USER MOD Single : S 35 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-6.3!) USER MOD Single : S 40 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.0046) USER MOD Single : S 42 MET CE :methyl -171:sc= -0.0148 (180deg=-0.0685) USER MOD Single : S 44 THR OG1 : rot 91:sc= 0.268 USER MOD Single : S 53 THR OG1 : rot 103:sc= 0.819 USER MOD Single : S 98 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 24.281 -0.340 28.609 1.00 0.00 N ATOM 181 CA HIS R 16 25.751 -0.236 28.805 1.00 0.00 C ATOM 182 C HIS R 16 26.422 -1.610 28.742 1.00 0.00 C ATOM 183 O HIS R 16 27.435 -1.775 28.094 1.00 0.00 O ATOM 184 CB HIS R 16 26.010 0.364 30.194 1.00 0.00 C ATOM 185 CG HIS R 16 26.089 1.889 30.086 1.00 0.00 C ATOM 186 ND1 HIS R 16 27.147 2.576 30.221 1.00 0.00 N ATOM 187 CD2 HIS R 16 25.094 2.816 29.833 1.00 0.00 C ATOM 188 CE1 HIS R 16 26.899 3.822 30.075 1.00 0.00 C ATOM 189 NE2 HIS R 16 25.618 4.051 29.827 1.00 0.00 N ATOM 0 HA HIS R 16 26.164 0.388 28.013 1.00 0.00 H new ATOM 0 HB2 HIS R 16 25.212 0.078 30.880 1.00 0.00 H new ATOM 0 HB3 HIS R 16 26.939 -0.031 30.605 1.00 0.00 H new ATOM 0 HD2 HIS R 16 24.053 2.581 29.666 1.00 0.00 H new ATOM 0 HE1 HIS R 16 27.647 4.598 30.146 1.00 0.00 H new ATOM 0 HE2 HIS R 16 25.148 4.943 29.671 1.00 0.00 H new ATOM 197 N GLN R 17 25.841 -2.568 29.409 1.00 0.00 N ATOM 198 CA GLN R 17 26.436 -3.932 29.396 1.00 0.00 C ATOM 199 C GLN R 17 26.234 -4.620 28.048 1.00 0.00 C ATOM 200 O GLN R 17 26.223 -5.832 27.963 1.00 0.00 O ATOM 201 CB GLN R 17 25.751 -4.766 30.485 1.00 0.00 C ATOM 202 CG GLN R 17 24.294 -5.006 30.090 1.00 0.00 C ATOM 203 CD GLN R 17 23.407 -4.894 31.330 1.00 0.00 C ATOM 204 OE1 GLN R 17 23.813 -5.220 32.429 1.00 0.00 O ATOM 205 NE2 GLN R 17 22.192 -4.440 31.201 1.00 0.00 N ATOM 0 H GLN R 17 24.987 -2.467 29.958 1.00 0.00 H new ATOM 0 HA GLN R 17 27.508 -3.847 29.575 1.00 0.00 H new ATOM 0 HB2 GLN R 17 26.268 -5.717 30.611 1.00 0.00 H new ATOM 0 HB3 GLN R 17 25.800 -4.247 31.442 1.00 0.00 H new ATOM 0 HG2 GLN R 17 23.984 -4.278 29.341 1.00 0.00 H new ATOM 0 HG3 GLN R 17 24.186 -5.993 29.640 1.00 0.00 H new ATOM 0 HE21 GLN R 17 21.845 -4.165 30.282 1.00 0.00 H new ATOM 0 HE22 GLN R 17 21.588 -4.360 32.019 1.00 0.00 H new ATOM 214 N GLU R 18 26.077 -3.836 27.017 1.00 0.00 N ATOM 215 CA GLU R 18 25.876 -4.436 25.672 1.00 0.00 C ATOM 216 C GLU R 18 26.041 -3.381 24.580 1.00 0.00 C ATOM 217 O GLU R 18 26.522 -3.669 23.503 1.00 0.00 O ATOM 218 CB GLU R 18 24.457 -5.014 25.608 1.00 0.00 C ATOM 219 CG GLU R 18 23.447 -3.866 25.555 1.00 0.00 C ATOM 220 CD GLU R 18 22.065 -4.397 25.952 1.00 0.00 C ATOM 221 OE1 GLU R 18 21.418 -4.932 25.067 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.738 -4.238 27.115 1.00 0.00 O ATOM 0 H GLU R 18 26.079 -2.816 27.048 1.00 0.00 H new ATOM 0 HA GLU R 18 26.619 -5.217 25.511 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.350 -5.649 24.729 1.00 0.00 H new ATOM 0 HB3 GLU R 18 24.267 -5.641 26.479 1.00 0.00 H new ATOM 0 HG2 GLU R 18 23.751 -3.066 26.230 1.00 0.00 H new ATOM 0 HG3 GLU R 18 23.413 -3.441 24.552 1.00 0.00 H new ATOM 229 N TRP R 19 25.642 -2.177 24.884 1.00 0.00 N ATOM 230 CA TRP R 19 25.765 -1.086 23.881 1.00 0.00 C ATOM 231 C TRP R 19 27.192 -1.009 23.333 1.00 0.00 C ATOM 232 O TRP R 19 27.402 -0.566 22.221 1.00 0.00 O ATOM 233 CB TRP R 19 25.411 0.229 24.587 1.00 0.00 C ATOM 234 CG TRP R 19 25.629 1.407 23.642 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.612 2.316 23.782 1.00 0.00 C ATOM 236 CD2 TRP R 19 24.865 1.711 22.588 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.403 3.155 22.776 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.343 2.864 21.993 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.721 1.112 22.076 1.00 0.00 C ATOM 240 CZ2 TRP R 19 24.701 3.415 20.914 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.073 1.677 20.994 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.566 2.828 20.416 1.00 0.00 C ATOM 0 H TRP R 19 25.238 -1.904 25.780 1.00 0.00 H new ATOM 0 HA TRP R 19 25.096 -1.274 23.041 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.373 0.205 24.917 1.00 0.00 H new ATOM 0 HB3 TRP R 19 26.026 0.349 25.479 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.386 2.353 24.534 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.001 3.963 22.606 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.339 0.206 22.523 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.090 4.312 20.456 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.179 1.216 20.600 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.058 3.267 19.570 1.00 0.00 H new ATOM 253 N LEU R 20 28.145 -1.444 24.127 1.00 0.00 N ATOM 254 CA LEU R 20 29.567 -1.405 23.673 1.00 0.00 C ATOM 255 C LEU R 20 30.107 -2.817 23.438 1.00 0.00 C ATOM 256 O LEU R 20 30.609 -3.127 22.378 1.00 0.00 O ATOM 257 CB LEU R 20 30.411 -0.742 24.774 1.00 0.00 C ATOM 258 CG LEU R 20 29.836 0.639 25.100 1.00 0.00 C ATOM 259 CD1 LEU R 20 29.794 0.818 26.620 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.734 1.714 24.491 1.00 0.00 C ATOM 0 H LEU R 20 27.997 -1.821 25.063 1.00 0.00 H new ATOM 0 HA LEU R 20 29.621 -0.847 22.739 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.415 -1.366 25.668 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.446 -0.648 24.446 1.00 0.00 H new ATOM 0 HG LEU R 20 28.830 0.726 24.690 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.385 1.800 26.860 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.164 0.045 27.060 1.00 0.00 H new ATOM 0 HD13 LEU R 20 30.803 0.737 27.024 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.329 2.699 24.720 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.738 1.628 24.907 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.777 1.582 23.410 1.00 0.00 H new ATOM 272 N ARG R 21 29.983 -3.642 24.441 1.00 0.00 N ATOM 273 CA ARG R 21 30.476 -5.043 24.329 1.00 0.00 C ATOM 274 C ARG R 21 30.216 -5.653 22.949 1.00 0.00 C ATOM 275 O ARG R 21 31.107 -6.222 22.347 1.00 0.00 O ATOM 276 CB ARG R 21 29.735 -5.883 25.374 1.00 0.00 C ATOM 277 CG ARG R 21 30.730 -6.816 26.066 1.00 0.00 C ATOM 278 CD ARG R 21 29.972 -7.716 27.044 1.00 0.00 C ATOM 279 NE ARG R 21 28.987 -8.535 26.283 1.00 0.00 N ATOM 280 CZ ARG R 21 29.127 -9.833 26.234 1.00 0.00 C ATOM 281 NH1 ARG R 21 28.640 -10.557 27.206 1.00 0.00 N ATOM 282 NH2 ARG R 21 29.740 -10.363 25.211 1.00 0.00 N ATOM 0 H ARG R 21 29.559 -3.404 25.338 1.00 0.00 H new ATOM 0 HA ARG R 21 31.555 -5.036 24.487 1.00 0.00 H new ATOM 0 HB2 ARG R 21 29.256 -5.234 26.107 1.00 0.00 H new ATOM 0 HB3 ARG R 21 28.945 -6.463 24.898 1.00 0.00 H new ATOM 0 HG2 ARG R 21 31.255 -7.421 25.327 1.00 0.00 H new ATOM 0 HG3 ARG R 21 31.485 -6.235 26.596 1.00 0.00 H new ATOM 0 HD2 ARG R 21 30.668 -8.363 27.577 1.00 0.00 H new ATOM 0 HD3 ARG R 21 29.461 -7.112 27.793 1.00 0.00 H new ATOM 0 HE ARG R 21 28.208 -8.085 25.803 1.00 0.00 H new ATOM 0 HH11 ARG R 21 28.160 -10.107 27.986 1.00 0.00 H new ATOM 0 HH12 ARG R 21 28.740 -11.572 27.185 1.00 0.00 H new ATOM 0 HH21 ARG R 21 30.100 -9.766 24.467 1.00 0.00 H new ATOM 0 HH22 ARG R 21 29.859 -11.375 25.156 1.00 0.00 H new ATOM 296 N PHE R 22 29.010 -5.526 22.471 1.00 0.00 N ATOM 297 CA PHE R 22 28.694 -6.101 21.134 1.00 0.00 C ATOM 298 C PHE R 22 29.081 -5.160 19.990 1.00 0.00 C ATOM 299 O PHE R 22 29.727 -5.559 19.031 1.00 0.00 O ATOM 300 CB PHE R 22 27.182 -6.350 21.087 1.00 0.00 C ATOM 301 CG PHE R 22 26.892 -7.765 21.591 1.00 0.00 C ATOM 302 CD1 PHE R 22 27.329 -8.864 20.875 1.00 0.00 C ATOM 303 CD2 PHE R 22 26.193 -7.964 22.769 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.073 -10.140 21.328 1.00 0.00 C ATOM 305 CE2 PHE R 22 25.937 -9.243 23.221 1.00 0.00 C ATOM 306 CZ PHE R 22 26.377 -10.330 22.501 1.00 0.00 C ATOM 0 H PHE R 22 28.237 -5.055 22.942 1.00 0.00 H new ATOM 0 HA PHE R 22 29.265 -7.020 21.003 1.00 0.00 H new ATOM 0 HB2 PHE R 22 26.661 -5.617 21.703 1.00 0.00 H new ATOM 0 HB3 PHE R 22 26.813 -6.231 20.068 1.00 0.00 H new ATOM 0 HD1 PHE R 22 27.875 -8.721 19.954 1.00 0.00 H new ATOM 0 HD2 PHE R 22 25.846 -7.114 23.338 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.419 -10.992 20.762 1.00 0.00 H new ATOM 0 HE2 PHE R 22 25.391 -9.391 24.141 1.00 0.00 H new ATOM 0 HZ PHE R 22 26.177 -11.330 22.855 1.00 0.00 H new ATOM 316 N VAL R 23 28.676 -3.929 20.095 1.00 0.00 N ATOM 317 CA VAL R 23 29.021 -2.974 19.017 1.00 0.00 C ATOM 318 C VAL R 23 30.519 -2.994 18.737 1.00 0.00 C ATOM 319 O VAL R 23 30.946 -2.769 17.622 1.00 0.00 O ATOM 320 CB VAL R 23 28.600 -1.573 19.459 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.904 -0.586 18.333 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.098 -1.584 19.727 1.00 0.00 C ATOM 0 H VAL R 23 28.130 -3.549 20.868 1.00 0.00 H new ATOM 0 HA VAL R 23 28.500 -3.258 18.102 1.00 0.00 H new ATOM 0 HB VAL R 23 29.140 -1.279 20.359 1.00 0.00 H new ATOM 0 HG11 VAL R 23 28.607 0.417 18.639 1.00 0.00 H new ATOM 0 HG12 VAL R 23 29.972 -0.598 18.117 1.00 0.00 H new ATOM 0 HG13 VAL R 23 28.350 -0.872 17.439 1.00 0.00 H new ATOM 0 HG21 VAL R 23 26.778 -0.592 20.044 1.00 0.00 H new ATOM 0 HG22 VAL R 23 26.568 -1.863 18.816 1.00 0.00 H new ATOM 0 HG23 VAL R 23 26.874 -2.306 20.512 1.00 0.00 H new ATOM 332 N ASP R 24 31.296 -3.266 19.749 1.00 0.00 N ATOM 333 CA ASP R 24 32.764 -3.304 19.539 1.00 0.00 C ATOM 334 C ASP R 24 33.100 -4.396 18.531 1.00 0.00 C ATOM 335 O ASP R 24 34.070 -4.309 17.806 1.00 0.00 O ATOM 336 CB ASP R 24 33.447 -3.621 20.876 1.00 0.00 C ATOM 337 CG ASP R 24 34.211 -2.384 21.354 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.283 -2.167 20.814 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.678 -1.726 22.232 1.00 0.00 O ATOM 0 H ASP R 24 30.980 -3.461 20.699 1.00 0.00 H new ATOM 0 HA ASP R 24 33.111 -2.342 19.162 1.00 0.00 H new ATOM 0 HB2 ASP R 24 32.704 -3.914 21.618 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.130 -4.463 20.759 1.00 0.00 H new ATOM 344 N LEU R 25 32.277 -5.408 18.509 1.00 0.00 N ATOM 345 CA LEU R 25 32.507 -6.528 17.566 1.00 0.00 C ATOM 346 C LEU R 25 32.113 -6.098 16.150 1.00 0.00 C ATOM 347 O LEU R 25 32.604 -6.620 15.164 1.00 0.00 O ATOM 348 CB LEU R 25 31.630 -7.709 17.997 1.00 0.00 C ATOM 349 CG LEU R 25 31.760 -7.900 19.513 1.00 0.00 C ATOM 350 CD1 LEU R 25 30.965 -9.137 19.938 1.00 0.00 C ATOM 351 CD2 LEU R 25 33.233 -8.103 19.874 1.00 0.00 C ATOM 0 H LEU R 25 31.455 -5.504 19.106 1.00 0.00 H new ATOM 0 HA LEU R 25 33.559 -6.812 17.574 1.00 0.00 H new ATOM 0 HB2 LEU R 25 30.590 -7.523 17.729 1.00 0.00 H new ATOM 0 HB3 LEU R 25 31.937 -8.616 17.476 1.00 0.00 H new ATOM 0 HG LEU R 25 31.373 -7.019 20.026 1.00 0.00 H new ATOM 0 HD11 LEU R 25 31.056 -9.275 21.015 1.00 0.00 H new ATOM 0 HD12 LEU R 25 29.915 -9.003 19.676 1.00 0.00 H new ATOM 0 HD13 LEU R 25 31.357 -10.015 19.425 1.00 0.00 H new ATOM 0 HD21 LEU R 25 33.328 -8.239 20.951 1.00 0.00 H new ATOM 0 HD22 LEU R 25 33.615 -8.986 19.362 1.00 0.00 H new ATOM 0 HD23 LEU R 25 33.807 -7.229 19.567 1.00 0.00 H new ATOM 363 N LEU R 26 31.210 -5.165 16.076 1.00 0.00 N ATOM 364 CA LEU R 26 30.775 -4.689 14.734 1.00 0.00 C ATOM 365 C LEU R 26 31.978 -4.255 13.879 1.00 0.00 C ATOM 366 O LEU R 26 32.337 -4.911 12.907 1.00 0.00 O ATOM 367 CB LEU R 26 29.849 -3.477 14.930 1.00 0.00 C ATOM 368 CG LEU R 26 29.030 -3.253 13.651 1.00 0.00 C ATOM 369 CD1 LEU R 26 27.945 -4.333 13.512 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.365 -1.878 13.717 1.00 0.00 C ATOM 0 H LEU R 26 30.759 -4.716 16.873 1.00 0.00 H new ATOM 0 HA LEU R 26 30.263 -5.503 14.221 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.184 -3.646 15.777 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.437 -2.588 15.159 1.00 0.00 H new ATOM 0 HG LEU R 26 29.696 -3.309 12.790 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.374 -4.159 12.600 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.414 -5.316 13.465 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.277 -4.291 14.372 1.00 0.00 H new ATOM 0 HD21 LEU R 26 27.781 -1.712 12.811 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.708 -1.833 14.585 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.131 -1.107 13.801 1.00 0.00 H new ATOM 382 N LYS R 27 32.593 -3.163 14.257 1.00 0.00 N ATOM 383 CA LYS R 27 33.765 -2.687 13.473 1.00 0.00 C ATOM 384 C LYS R 27 34.834 -3.765 13.331 1.00 0.00 C ATOM 385 O LYS R 27 35.654 -3.698 12.438 1.00 0.00 O ATOM 386 CB LYS R 27 34.380 -1.428 14.116 1.00 0.00 C ATOM 387 CG LYS R 27 34.462 -1.533 15.657 1.00 0.00 C ATOM 388 CD LYS R 27 35.825 -2.075 16.098 1.00 0.00 C ATOM 389 CE LYS R 27 36.056 -1.686 17.561 1.00 0.00 C ATOM 390 NZ LYS R 27 36.179 -0.206 17.687 1.00 0.00 N ATOM 0 H LYS R 27 32.337 -2.591 15.062 1.00 0.00 H new ATOM 0 HA LYS R 27 33.399 -2.441 12.476 1.00 0.00 H new ATOM 0 HB2 LYS R 27 35.380 -1.268 13.712 1.00 0.00 H new ATOM 0 HB3 LYS R 27 33.784 -0.557 13.845 1.00 0.00 H new ATOM 0 HG2 LYS R 27 34.296 -0.552 16.101 1.00 0.00 H new ATOM 0 HG3 LYS R 27 33.671 -2.187 16.023 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.855 -3.159 15.986 1.00 0.00 H new ATOM 0 HD3 LYS R 27 36.616 -1.667 15.469 1.00 0.00 H new ATOM 0 HE2 LYS R 27 35.229 -2.043 18.175 1.00 0.00 H new ATOM 0 HE3 LYS R 27 36.960 -2.166 17.934 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 36.816 0.023 18.476 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 36.565 0.187 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 35.241 0.206 17.868 1.00 0.00 H new ATOM 404 N ASN R 28 34.838 -4.734 14.203 1.00 0.00 N ATOM 405 CA ASN R 28 35.874 -5.782 14.056 1.00 0.00 C ATOM 406 C ASN R 28 35.693 -6.461 12.707 1.00 0.00 C ATOM 407 O ASN R 28 36.618 -6.568 11.937 1.00 0.00 O ATOM 408 CB ASN R 28 35.735 -6.808 15.167 1.00 0.00 C ATOM 409 CG ASN R 28 36.878 -6.628 16.168 1.00 0.00 C ATOM 410 OD1 ASN R 28 37.921 -7.241 16.054 1.00 0.00 O ATOM 411 ND2 ASN R 28 36.722 -5.801 17.163 1.00 0.00 N ATOM 0 H ASN R 28 34.191 -4.842 14.984 1.00 0.00 H new ATOM 0 HA ASN R 28 36.864 -5.331 14.117 1.00 0.00 H new ATOM 0 HB2 ASN R 28 34.775 -6.689 15.669 1.00 0.00 H new ATOM 0 HB3 ASN R 28 35.755 -7.816 14.752 1.00 0.00 H new ATOM 0 HD21 ASN R 28 37.473 -5.671 17.841 1.00 0.00 H new ATOM 0 HD22 ASN R 28 35.849 -5.284 17.264 1.00 0.00 H new ATOM 418 N ALA R 29 34.507 -6.936 12.443 1.00 0.00 N ATOM 419 CA ALA R 29 34.298 -7.596 11.126 1.00 0.00 C ATOM 420 C ALA R 29 34.694 -6.636 10.024 1.00 0.00 C ATOM 421 O ALA R 29 35.457 -6.976 9.146 1.00 0.00 O ATOM 422 CB ALA R 29 32.811 -7.940 10.981 1.00 0.00 C ATOM 0 H ALA R 29 33.697 -6.898 13.061 1.00 0.00 H new ATOM 0 HA ALA R 29 34.901 -8.502 11.059 1.00 0.00 H new ATOM 0 HB1 ALA R 29 32.642 -8.425 10.020 1.00 0.00 H new ATOM 0 HB2 ALA R 29 32.513 -8.614 11.785 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.219 -7.026 11.036 1.00 0.00 H new ATOM 428 N TYR R 30 34.200 -5.439 10.100 1.00 0.00 N ATOM 429 CA TYR R 30 34.567 -4.467 9.036 1.00 0.00 C ATOM 430 C TYR R 30 36.056 -4.493 8.777 1.00 0.00 C ATOM 431 O TYR R 30 36.470 -4.925 7.697 1.00 0.00 O ATOM 432 CB TYR R 30 34.278 -3.024 9.515 1.00 0.00 C ATOM 433 CG TYR R 30 32.795 -2.637 9.460 1.00 0.00 C ATOM 434 CD1 TYR R 30 31.817 -3.421 10.042 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.424 -1.436 8.877 1.00 0.00 C ATOM 436 CE1 TYR R 30 30.498 -3.008 10.041 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.109 -1.028 8.879 1.00 0.00 C ATOM 438 CZ TYR R 30 30.135 -1.810 9.460 1.00 0.00 C ATOM 439 OH TYR R 30 28.816 -1.402 9.454 1.00 0.00 O ATOM 0 H TYR R 30 33.575 -5.095 10.829 1.00 0.00 H new ATOM 0 HA TYR R 30 33.994 -4.739 8.149 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.635 -2.913 10.539 1.00 0.00 H new ATOM 0 HB3 TYR R 30 34.849 -2.327 8.901 1.00 0.00 H new ATOM 0 HD1 TYR R 30 32.085 -4.362 10.500 1.00 0.00 H new ATOM 0 HD2 TYR R 30 33.175 -0.812 8.415 1.00 0.00 H new ATOM 0 HE1 TYR R 30 29.743 -3.630 10.500 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.839 -0.088 8.422 1.00 0.00 H new ATOM 0 HH TYR R 30 28.360 -1.758 10.245 1.00 0.00 H new ATOM 449 N GLN R 31 36.773 -4.286 9.885 1.00 0.00 N ATOM 450 CA GLN R 31 38.268 -4.238 9.908 1.00 0.00 C ATOM 451 C GLN R 31 38.873 -4.546 8.575 1.00 0.00 C ATOM 452 O GLN R 31 39.621 -3.735 8.059 1.00 0.00 O ATOM 453 CB GLN R 31 38.772 -5.269 10.920 1.00 0.00 C ATOM 454 CG GLN R 31 40.289 -5.171 11.025 1.00 0.00 C ATOM 455 CD GLN R 31 40.742 -5.954 12.256 1.00 0.00 C ATOM 456 OE1 GLN R 31 40.209 -5.794 13.335 1.00 0.00 O ATOM 457 NE2 GLN R 31 41.717 -6.814 12.139 1.00 0.00 N ATOM 0 H GLN R 31 36.348 -4.145 10.802 1.00 0.00 H new ATOM 0 HA GLN R 31 38.563 -3.225 10.180 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.316 -5.092 11.894 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.481 -6.273 10.610 1.00 0.00 H new ATOM 0 HG2 GLN R 31 40.757 -5.573 10.127 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.596 -4.128 11.105 1.00 0.00 H new ATOM 0 HE21 GLN R 31 42.169 -6.953 11.235 1.00 0.00 H new ATOM 0 HE22 GLN R 31 42.027 -7.347 12.951 1.00 0.00 H new ATOM 466 N ASN R 32 38.568 -5.669 8.031 1.00 0.00 N ATOM 467 CA ASN R 32 39.157 -5.964 6.717 1.00 0.00 C ATOM 468 C ASN R 32 38.058 -5.891 5.648 1.00 0.00 C ATOM 469 O ASN R 32 37.779 -4.836 5.111 1.00 0.00 O ATOM 470 CB ASN R 32 39.764 -7.384 6.818 1.00 0.00 C ATOM 471 CG ASN R 32 40.959 -7.509 5.869 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.976 -8.339 4.981 1.00 0.00 O ATOM 473 ND2 ASN R 32 41.982 -6.712 6.023 1.00 0.00 N ATOM 0 H ASN R 32 37.953 -6.381 8.424 1.00 0.00 H new ATOM 0 HA ASN R 32 39.931 -5.249 6.436 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.080 -7.582 7.842 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.010 -8.130 6.567 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.787 -6.789 5.401 1.00 0.00 H new ATOM 0 HD22 ASN R 32 41.976 -6.013 6.765 1.00 0.00 H new ATOM 480 N ASP R 33 37.474 -7.001 5.365 1.00 0.00 N ATOM 481 CA ASP R 33 36.397 -7.075 4.362 1.00 0.00 C ATOM 482 C ASP R 33 35.256 -7.901 4.914 1.00 0.00 C ATOM 483 O ASP R 33 34.409 -8.339 4.161 1.00 0.00 O ATOM 484 CB ASP R 33 36.944 -7.789 3.137 1.00 0.00 C ATOM 485 CG ASP R 33 38.158 -7.031 2.594 1.00 0.00 C ATOM 486 OD1 ASP R 33 38.037 -5.822 2.490 1.00 0.00 O ATOM 487 OD2 ASP R 33 39.134 -7.705 2.311 1.00 0.00 O ATOM 0 H ASP R 33 37.705 -7.893 5.802 1.00 0.00 H new ATOM 0 HA ASP R 33 36.048 -6.073 4.113 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.227 -8.809 3.396 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.173 -7.857 2.370 1.00 0.00 H new ATOM 492 N LEU R 34 35.225 -8.095 6.209 1.00 0.00 N ATOM 493 CA LEU R 34 34.107 -8.948 6.736 1.00 0.00 C ATOM 494 C LEU R 34 32.823 -8.222 7.075 1.00 0.00 C ATOM 495 O LEU R 34 31.906 -8.806 7.616 1.00 0.00 O ATOM 496 CB LEU R 34 34.650 -9.766 7.922 1.00 0.00 C ATOM 497 CG LEU R 34 35.864 -10.588 7.401 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.071 -10.421 8.337 1.00 0.00 C ATOM 499 CD2 LEU R 34 35.518 -12.081 7.281 1.00 0.00 C ATOM 0 H LEU R 34 35.884 -7.725 6.894 1.00 0.00 H new ATOM 0 HA LEU R 34 33.792 -9.601 5.922 1.00 0.00 H new ATOM 0 HB2 LEU R 34 34.953 -9.108 8.736 1.00 0.00 H new ATOM 0 HB3 LEU R 34 33.879 -10.428 8.317 1.00 0.00 H new ATOM 0 HG LEU R 34 36.115 -10.206 6.411 1.00 0.00 H new ATOM 0 HD11 LEU R 34 37.910 -11.003 7.956 1.00 0.00 H new ATOM 0 HD12 LEU R 34 37.351 -9.369 8.385 1.00 0.00 H new ATOM 0 HD13 LEU R 34 36.809 -10.772 9.335 1.00 0.00 H new ATOM 0 HD21 LEU R 34 36.387 -12.628 6.915 1.00 0.00 H new ATOM 0 HD22 LEU R 34 35.232 -12.468 8.259 1.00 0.00 H new ATOM 0 HD23 LEU R 34 34.689 -12.208 6.584 1.00 0.00 H new ATOM 511 N HIS R 35 32.758 -6.978 6.752 1.00 0.00 N ATOM 512 CA HIS R 35 31.502 -6.248 7.066 1.00 0.00 C ATOM 513 C HIS R 35 30.360 -6.729 6.176 1.00 0.00 C ATOM 514 O HIS R 35 29.469 -7.421 6.611 1.00 0.00 O ATOM 515 CB HIS R 35 31.655 -4.753 6.770 1.00 0.00 C ATOM 516 CG HIS R 35 32.670 -4.525 5.653 1.00 0.00 C ATOM 517 ND1 HIS R 35 32.962 -5.363 4.752 1.00 0.00 N ATOM 518 CD2 HIS R 35 33.395 -3.393 5.338 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.786 -4.859 3.918 1.00 0.00 C ATOM 520 NE2 HIS R 35 34.112 -3.614 4.225 1.00 0.00 N ATOM 0 H HIS R 35 33.493 -6.438 6.296 1.00 0.00 H new ATOM 0 HA HIS R 35 31.292 -6.429 8.120 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.691 -4.334 6.483 1.00 0.00 H new ATOM 0 HB3 HIS R 35 31.975 -4.230 7.671 1.00 0.00 H new ATOM 0 HD2 HIS R 35 33.387 -2.471 5.901 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.173 -5.388 3.060 1.00 0.00 H new ATOM 0 HE2 HIS R 35 34.748 -2.982 3.739 1.00 0.00 H new ATOM 528 N LEU R 36 30.473 -6.383 4.923 1.00 0.00 N ATOM 529 CA LEU R 36 29.438 -6.759 3.909 1.00 0.00 C ATOM 530 C LEU R 36 28.666 -8.059 4.223 1.00 0.00 C ATOM 531 O LEU R 36 27.475 -8.005 4.464 1.00 0.00 O ATOM 532 CB LEU R 36 30.105 -6.845 2.520 1.00 0.00 C ATOM 533 CG LEU R 36 29.869 -5.545 1.731 1.00 0.00 C ATOM 534 CD1 LEU R 36 28.393 -5.458 1.299 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.270 -4.330 2.591 1.00 0.00 C ATOM 0 H LEU R 36 31.254 -5.844 4.549 1.00 0.00 H new ATOM 0 HA LEU R 36 28.681 -5.975 3.932 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.175 -7.020 2.633 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.700 -7.692 1.967 1.00 0.00 H new ATOM 0 HG LEU R 36 30.488 -5.545 0.834 1.00 0.00 H new ATOM 0 HD11 LEU R 36 28.231 -4.536 0.741 1.00 0.00 H new ATOM 0 HD12 LEU R 36 28.148 -6.312 0.668 1.00 0.00 H new ATOM 0 HD13 LEU R 36 27.754 -5.464 2.182 1.00 0.00 H new ATOM 0 HD21 LEU R 36 30.101 -3.413 2.027 1.00 0.00 H new ATOM 0 HD22 LEU R 36 29.669 -4.313 3.500 1.00 0.00 H new ATOM 0 HD23 LEU R 36 31.325 -4.404 2.855 1.00 0.00 H new ATOM 547 N PRO R 37 29.324 -9.197 4.241 1.00 0.00 N ATOM 548 CA PRO R 37 28.624 -10.462 4.534 1.00 0.00 C ATOM 549 C PRO R 37 27.923 -10.397 5.887 1.00 0.00 C ATOM 550 O PRO R 37 26.711 -10.389 5.962 1.00 0.00 O ATOM 551 CB PRO R 37 29.735 -11.526 4.556 1.00 0.00 C ATOM 552 CG PRO R 37 31.087 -10.769 4.489 1.00 0.00 C ATOM 553 CD PRO R 37 30.782 -9.330 4.056 1.00 0.00 C ATOM 0 HA PRO R 37 27.851 -10.681 3.797 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.675 -12.128 5.462 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.633 -12.208 3.712 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.583 -10.781 5.460 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.762 -11.249 3.780 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.328 -8.607 4.663 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.069 -9.157 3.019 1.00 0.00 H new ATOM 561 N LEU R 38 28.701 -10.350 6.929 1.00 0.00 N ATOM 562 CA LEU R 38 28.097 -10.281 8.283 1.00 0.00 C ATOM 563 C LEU R 38 27.208 -9.060 8.395 1.00 0.00 C ATOM 564 O LEU R 38 26.023 -9.189 8.616 1.00 0.00 O ATOM 565 CB LEU R 38 29.225 -10.155 9.308 1.00 0.00 C ATOM 566 CG LEU R 38 29.686 -11.551 9.734 1.00 0.00 C ATOM 567 CD1 LEU R 38 31.201 -11.619 9.673 1.00 0.00 C ATOM 568 CD2 LEU R 38 29.218 -11.836 11.165 1.00 0.00 C ATOM 0 H LEU R 38 29.721 -10.356 6.902 1.00 0.00 H new ATOM 0 HA LEU R 38 27.503 -11.178 8.462 1.00 0.00 H new ATOM 0 HB2 LEU R 38 30.060 -9.600 8.880 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.881 -9.593 10.176 1.00 0.00 H new ATOM 0 HG LEU R 38 29.258 -12.295 9.062 1.00 0.00 H new ATOM 0 HD11 LEU R 38 31.533 -12.612 9.976 1.00 0.00 H new ATOM 0 HD12 LEU R 38 31.533 -11.420 8.654 1.00 0.00 H new ATOM 0 HD13 LEU R 38 31.626 -10.874 10.345 1.00 0.00 H new ATOM 0 HD21 LEU R 38 29.548 -12.831 11.464 1.00 0.00 H new ATOM 0 HD22 LEU R 38 29.642 -11.094 11.841 1.00 0.00 H new ATOM 0 HD23 LEU R 38 28.130 -11.786 11.209 1.00 0.00 H new ATOM 580 N LEU R 39 27.821 -7.906 8.291 1.00 0.00 N ATOM 581 CA LEU R 39 27.035 -6.629 8.383 1.00 0.00 C ATOM 582 C LEU R 39 25.594 -6.846 7.925 1.00 0.00 C ATOM 583 O LEU R 39 24.663 -6.324 8.507 1.00 0.00 O ATOM 584 CB LEU R 39 27.680 -5.586 7.447 1.00 0.00 C ATOM 585 CG LEU R 39 26.832 -4.309 7.409 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.583 -3.800 8.823 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.584 -3.236 6.619 1.00 0.00 C ATOM 0 H LEU R 39 28.824 -7.790 8.147 1.00 0.00 H new ATOM 0 HA LEU R 39 27.037 -6.291 9.419 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.687 -5.352 7.792 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.775 -5.998 6.442 1.00 0.00 H new ATOM 0 HG LEU R 39 25.875 -4.529 6.935 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.980 -2.893 8.782 1.00 0.00 H new ATOM 0 HD12 LEU R 39 26.055 -4.562 9.396 1.00 0.00 H new ATOM 0 HD13 LEU R 39 27.536 -3.580 9.304 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.988 -2.324 6.587 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.538 -3.029 7.103 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.762 -3.590 5.603 1.00 0.00 H new ATOM 599 N ASN R 40 25.444 -7.617 6.881 1.00 0.00 N ATOM 600 CA ASN R 40 24.081 -7.893 6.358 1.00 0.00 C ATOM 601 C ASN R 40 23.247 -8.640 7.399 1.00 0.00 C ATOM 602 O ASN R 40 22.149 -8.234 7.726 1.00 0.00 O ATOM 603 CB ASN R 40 24.222 -8.776 5.110 1.00 0.00 C ATOM 604 CG ASN R 40 23.028 -8.548 4.180 1.00 0.00 C ATOM 605 OD1 ASN R 40 23.092 -7.773 3.247 1.00 0.00 O ATOM 606 ND2 ASN R 40 21.922 -9.207 4.396 1.00 0.00 N ATOM 0 H ASN R 40 26.206 -8.065 6.371 1.00 0.00 H new ATOM 0 HA ASN R 40 23.584 -6.952 6.122 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.151 -8.542 4.590 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.275 -9.826 5.399 1.00 0.00 H new ATOM 0 HD21 ASN R 40 21.118 -9.070 3.783 1.00 0.00 H new ATOM 0 HD22 ASN R 40 21.861 -9.859 5.178 1.00 0.00 H new ATOM 613 N LEU R 41 23.787 -9.718 7.900 1.00 0.00 N ATOM 614 CA LEU R 41 23.043 -10.509 8.922 1.00 0.00 C ATOM 615 C LEU R 41 22.634 -9.638 10.109 1.00 0.00 C ATOM 616 O LEU R 41 21.884 -10.070 10.962 1.00 0.00 O ATOM 617 CB LEU R 41 23.970 -11.617 9.443 1.00 0.00 C ATOM 618 CG LEU R 41 23.136 -12.838 9.845 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.716 -13.614 8.591 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.982 -13.749 10.736 1.00 0.00 C ATOM 0 H LEU R 41 24.705 -10.084 7.648 1.00 0.00 H new ATOM 0 HA LEU R 41 22.145 -10.917 8.459 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.691 -11.894 8.674 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.540 -11.256 10.299 1.00 0.00 H new ATOM 0 HG LEU R 41 22.247 -12.509 10.382 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.123 -14.481 8.881 1.00 0.00 H new ATOM 0 HD12 LEU R 41 22.121 -12.968 7.945 1.00 0.00 H new ATOM 0 HD13 LEU R 41 23.605 -13.945 8.054 1.00 0.00 H new ATOM 0 HD21 LEU R 41 23.395 -14.621 11.026 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.867 -14.073 10.189 1.00 0.00 H new ATOM 0 HD23 LEU R 41 24.287 -13.203 11.629 1.00 0.00 H new ATOM 632 N MET R 42 23.129 -8.427 10.139 1.00 0.00 N ATOM 633 CA MET R 42 22.778 -7.518 11.265 1.00 0.00 C ATOM 634 C MET R 42 21.763 -6.458 10.840 1.00 0.00 C ATOM 635 O MET R 42 20.726 -6.308 11.457 1.00 0.00 O ATOM 636 CB MET R 42 24.057 -6.803 11.723 1.00 0.00 C ATOM 637 CG MET R 42 25.158 -7.838 11.961 1.00 0.00 C ATOM 638 SD MET R 42 26.347 -7.493 13.284 1.00 0.00 S ATOM 639 CE MET R 42 27.818 -8.135 12.447 1.00 0.00 C ATOM 0 H MET R 42 23.756 -8.033 9.437 1.00 0.00 H new ATOM 0 HA MET R 42 22.339 -8.114 12.065 1.00 0.00 H new ATOM 0 HB2 MET R 42 24.375 -6.084 10.968 1.00 0.00 H new ATOM 0 HB3 MET R 42 23.866 -6.242 12.638 1.00 0.00 H new ATOM 0 HG2 MET R 42 24.682 -8.795 12.176 1.00 0.00 H new ATOM 0 HG3 MET R 42 25.713 -7.960 11.031 1.00 0.00 H new ATOM 0 HE1 MET R 42 28.686 -8.020 13.097 1.00 0.00 H new ATOM 0 HE2 MET R 42 27.674 -9.191 12.217 1.00 0.00 H new ATOM 0 HE3 MET R 42 27.981 -7.582 11.522 1.00 0.00 H new ATOM 649 N LEU R 43 22.077 -5.745 9.796 1.00 0.00 N ATOM 650 CA LEU R 43 21.148 -4.695 9.320 1.00 0.00 C ATOM 651 C LEU R 43 19.973 -5.287 8.540 1.00 0.00 C ATOM 652 O LEU R 43 18.829 -5.064 8.876 1.00 0.00 O ATOM 653 CB LEU R 43 21.940 -3.770 8.390 1.00 0.00 C ATOM 654 CG LEU R 43 22.455 -2.564 9.185 1.00 0.00 C ATOM 655 CD1 LEU R 43 23.415 -1.760 8.306 1.00 0.00 C ATOM 656 CD2 LEU R 43 21.282 -1.667 9.592 1.00 0.00 C ATOM 0 H LEU R 43 22.936 -5.846 9.255 1.00 0.00 H new ATOM 0 HA LEU R 43 20.741 -4.163 10.180 1.00 0.00 H new ATOM 0 HB2 LEU R 43 22.776 -4.311 7.947 1.00 0.00 H new ATOM 0 HB3 LEU R 43 21.307 -3.434 7.569 1.00 0.00 H new ATOM 0 HG LEU R 43 22.968 -2.915 10.080 1.00 0.00 H new ATOM 0 HD11 LEU R 43 23.786 -0.900 8.864 1.00 0.00 H new ATOM 0 HD12 LEU R 43 24.254 -2.391 8.012 1.00 0.00 H new ATOM 0 HD13 LEU R 43 22.890 -1.415 7.415 1.00 0.00 H new ATOM 0 HD21 LEU R 43 21.656 -0.813 10.156 1.00 0.00 H new ATOM 0 HD22 LEU R 43 20.767 -1.314 8.699 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.587 -2.235 10.211 1.00 0.00 H new ATOM 668 N THR R 44 20.285 -6.036 7.515 1.00 0.00 N ATOM 669 CA THR R 44 19.215 -6.663 6.680 1.00 0.00 C ATOM 670 C THR R 44 18.569 -5.593 5.774 1.00 0.00 C ATOM 671 O THR R 44 18.563 -4.429 6.118 1.00 0.00 O ATOM 672 CB THR R 44 18.156 -7.300 7.616 1.00 0.00 C ATOM 673 OG1 THR R 44 17.947 -8.604 7.107 1.00 0.00 O ATOM 674 CG2 THR R 44 16.779 -6.623 7.494 1.00 0.00 C ATOM 0 H THR R 44 21.239 -6.242 7.218 1.00 0.00 H new ATOM 0 HA THR R 44 19.642 -7.439 6.044 1.00 0.00 H new ATOM 0 HB THR R 44 18.510 -7.230 8.644 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.283 -9.068 7.659 1.00 0.00 H new ATOM 0 HG21 THR R 44 16.074 -7.107 8.170 1.00 0.00 H new ATOM 0 HG22 THR R 44 16.867 -5.569 7.756 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.419 -6.713 6.469 1.00 0.00 H new ATOM 682 N PRO R 45 18.032 -5.995 4.628 1.00 0.00 N ATOM 683 CA PRO R 45 17.395 -5.038 3.701 1.00 0.00 C ATOM 684 C PRO R 45 16.296 -4.215 4.374 1.00 0.00 C ATOM 685 O PRO R 45 16.324 -2.996 4.344 1.00 0.00 O ATOM 686 CB PRO R 45 16.773 -5.910 2.596 1.00 0.00 C ATOM 687 CG PRO R 45 17.129 -7.385 2.902 1.00 0.00 C ATOM 688 CD PRO R 45 17.995 -7.403 4.170 1.00 0.00 C ATOM 0 HA PRO R 45 18.128 -4.321 3.330 1.00 0.00 H new ATOM 0 HB2 PRO R 45 15.692 -5.776 2.567 1.00 0.00 H new ATOM 0 HB3 PRO R 45 17.157 -5.619 1.618 1.00 0.00 H new ATOM 0 HG2 PRO R 45 16.224 -7.974 3.049 1.00 0.00 H new ATOM 0 HG3 PRO R 45 17.667 -7.830 2.065 1.00 0.00 H new ATOM 0 HD2 PRO R 45 17.567 -8.055 4.931 1.00 0.00 H new ATOM 0 HD3 PRO R 45 18.997 -7.776 3.958 1.00 0.00 H new ATOM 696 N ASP R 46 15.345 -4.896 4.955 1.00 0.00 N ATOM 697 CA ASP R 46 14.231 -4.181 5.636 1.00 0.00 C ATOM 698 C ASP R 46 14.746 -2.961 6.396 1.00 0.00 C ATOM 699 O ASP R 46 14.068 -1.958 6.499 1.00 0.00 O ATOM 700 CB ASP R 46 13.580 -5.142 6.635 1.00 0.00 C ATOM 701 CG ASP R 46 12.263 -4.542 7.132 1.00 0.00 C ATOM 702 OD1 ASP R 46 11.268 -4.802 6.475 1.00 0.00 O ATOM 703 OD2 ASP R 46 12.328 -3.861 8.142 1.00 0.00 O ATOM 0 H ASP R 46 15.293 -5.914 4.987 1.00 0.00 H new ATOM 0 HA ASP R 46 13.515 -3.846 4.885 1.00 0.00 H new ATOM 0 HB2 ASP R 46 13.397 -6.107 6.162 1.00 0.00 H new ATOM 0 HB3 ASP R 46 14.251 -5.321 7.475 1.00 0.00 H new ATOM 708 N GLU R 47 15.941 -3.070 6.908 1.00 0.00 N ATOM 709 CA GLU R 47 16.519 -1.929 7.661 1.00 0.00 C ATOM 710 C GLU R 47 17.388 -1.067 6.750 1.00 0.00 C ATOM 711 O GLU R 47 17.598 0.101 7.013 1.00 0.00 O ATOM 712 CB GLU R 47 17.394 -2.490 8.788 1.00 0.00 C ATOM 713 CG GLU R 47 17.700 -1.386 9.803 1.00 0.00 C ATOM 714 CD GLU R 47 18.223 -2.018 11.094 1.00 0.00 C ATOM 715 OE1 GLU R 47 18.822 -3.074 10.975 1.00 0.00 O ATOM 716 OE2 GLU R 47 17.994 -1.411 12.126 1.00 0.00 O ATOM 0 H GLU R 47 16.536 -3.895 6.837 1.00 0.00 H new ATOM 0 HA GLU R 47 15.711 -1.316 8.059 1.00 0.00 H new ATOM 0 HB2 GLU R 47 16.883 -3.318 9.280 1.00 0.00 H new ATOM 0 HB3 GLU R 47 18.322 -2.887 8.377 1.00 0.00 H new ATOM 0 HG2 GLU R 47 18.440 -0.697 9.396 1.00 0.00 H new ATOM 0 HG3 GLU R 47 16.801 -0.804 10.007 1.00 0.00 H new ATOM 723 N ARG R 48 17.887 -1.660 5.697 1.00 0.00 N ATOM 724 CA ARG R 48 18.740 -0.875 4.767 1.00 0.00 C ATOM 725 C ARG R 48 18.019 0.399 4.353 1.00 0.00 C ATOM 726 O ARG R 48 18.599 1.468 4.339 1.00 0.00 O ATOM 727 CB ARG R 48 19.010 -1.711 3.512 1.00 0.00 C ATOM 728 CG ARG R 48 19.743 -0.842 2.486 1.00 0.00 C ATOM 729 CD ARG R 48 20.465 -1.743 1.482 1.00 0.00 C ATOM 730 NE ARG R 48 21.015 -0.900 0.384 1.00 0.00 N ATOM 731 CZ ARG R 48 20.394 -0.857 -0.763 1.00 0.00 C ATOM 732 NH1 ARG R 48 20.511 -1.866 -1.582 1.00 0.00 N ATOM 733 NH2 ARG R 48 19.677 0.195 -1.055 1.00 0.00 N ATOM 0 H ARG R 48 17.742 -2.638 5.446 1.00 0.00 H new ATOM 0 HA ARG R 48 19.675 -0.621 5.266 1.00 0.00 H new ATOM 0 HB2 ARG R 48 19.611 -2.585 3.763 1.00 0.00 H new ATOM 0 HB3 ARG R 48 18.072 -2.078 3.094 1.00 0.00 H new ATOM 0 HG2 ARG R 48 19.035 -0.196 1.968 1.00 0.00 H new ATOM 0 HG3 ARG R 48 20.459 -0.192 2.989 1.00 0.00 H new ATOM 0 HD2 ARG R 48 21.268 -2.289 1.976 1.00 0.00 H new ATOM 0 HD3 ARG R 48 19.776 -2.485 1.078 1.00 0.00 H new ATOM 0 HE ARG R 48 21.869 -0.361 0.527 1.00 0.00 H new ATOM 0 HH11 ARG R 48 21.081 -2.671 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG R 48 20.033 -1.850 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG R 48 19.609 0.966 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG R 48 19.185 0.245 -1.947 1.00 0.00 H new ATOM 747 N GLU R 49 16.764 0.261 4.017 1.00 0.00 N ATOM 748 CA GLU R 49 15.989 1.459 3.600 1.00 0.00 C ATOM 749 C GLU R 49 16.258 2.612 4.560 1.00 0.00 C ATOM 750 O GLU R 49 16.067 3.764 4.225 1.00 0.00 O ATOM 751 CB GLU R 49 14.494 1.113 3.643 1.00 0.00 C ATOM 752 CG GLU R 49 14.162 0.155 2.497 1.00 0.00 C ATOM 753 CD GLU R 49 12.644 0.066 2.334 1.00 0.00 C ATOM 754 OE1 GLU R 49 12.098 1.028 1.819 1.00 0.00 O ATOM 755 OE2 GLU R 49 12.116 -0.959 2.733 1.00 0.00 O ATOM 0 H GLU R 49 16.249 -0.620 4.014 1.00 0.00 H new ATOM 0 HA GLU R 49 16.285 1.754 2.593 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.243 0.655 4.599 1.00 0.00 H new ATOM 0 HB3 GLU R 49 13.897 2.021 3.558 1.00 0.00 H new ATOM 0 HG2 GLU R 49 14.618 0.506 1.571 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.575 -0.832 2.702 1.00 0.00 H new ATOM 762 N ALA R 50 16.698 2.270 5.739 1.00 0.00 N ATOM 763 CA ALA R 50 16.992 3.321 6.744 1.00 0.00 C ATOM 764 C ALA R 50 18.450 3.762 6.643 1.00 0.00 C ATOM 765 O ALA R 50 18.741 4.939 6.640 1.00 0.00 O ATOM 766 CB ALA R 50 16.747 2.736 8.141 1.00 0.00 C ATOM 0 H ALA R 50 16.865 1.312 6.046 1.00 0.00 H new ATOM 0 HA ALA R 50 16.349 4.183 6.564 1.00 0.00 H new ATOM 0 HB1 ALA R 50 16.958 3.494 8.895 1.00 0.00 H new ATOM 0 HB2 ALA R 50 15.707 2.419 8.226 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.401 1.878 8.296 1.00 0.00 H new ATOM 772 N LEU R 51 19.341 2.806 6.558 1.00 0.00 N ATOM 773 CA LEU R 51 20.783 3.164 6.455 1.00 0.00 C ATOM 774 C LEU R 51 20.977 4.322 5.483 1.00 0.00 C ATOM 775 O LEU R 51 21.647 5.290 5.784 1.00 0.00 O ATOM 776 CB LEU R 51 21.560 1.949 5.930 1.00 0.00 C ATOM 777 CG LEU R 51 23.028 2.350 5.725 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.934 1.223 6.224 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.302 2.584 4.234 1.00 0.00 C ATOM 0 H LEU R 51 19.134 1.807 6.556 1.00 0.00 H new ATOM 0 HA LEU R 51 21.145 3.459 7.440 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.490 1.122 6.637 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.129 1.603 4.991 1.00 0.00 H new ATOM 0 HG LEU R 51 23.229 3.266 6.280 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.977 1.504 6.080 1.00 0.00 H new ATOM 0 HD12 LEU R 51 23.748 1.049 7.284 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.723 0.312 5.664 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.345 2.868 4.096 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.099 1.668 3.679 1.00 0.00 H new ATOM 0 HD23 LEU R 51 22.657 3.382 3.866 1.00 0.00 H new ATOM 791 N GLY R 52 20.387 4.199 4.329 1.00 0.00 N ATOM 792 CA GLY R 52 20.529 5.285 3.325 1.00 0.00 C ATOM 793 C GLY R 52 20.168 6.633 3.962 1.00 0.00 C ATOM 794 O GLY R 52 20.966 7.554 3.971 1.00 0.00 O ATOM 0 H GLY R 52 19.819 3.403 4.040 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.551 5.313 2.948 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.880 5.090 2.471 1.00 0.00 H new ATOM 798 N THR R 53 18.977 6.718 4.492 1.00 0.00 N ATOM 799 CA THR R 53 18.555 7.995 5.129 1.00 0.00 C ATOM 800 C THR R 53 19.678 8.571 5.991 1.00 0.00 C ATOM 801 O THR R 53 19.860 9.772 6.047 1.00 0.00 O ATOM 802 CB THR R 53 17.337 7.723 6.019 1.00 0.00 C ATOM 803 OG1 THR R 53 16.278 7.422 5.126 1.00 0.00 O ATOM 804 CG2 THR R 53 16.887 9.004 6.730 1.00 0.00 C ATOM 0 H THR R 53 18.287 5.967 4.511 1.00 0.00 H new ATOM 0 HA THR R 53 18.311 8.714 4.347 1.00 0.00 H new ATOM 0 HB THR R 53 17.576 6.945 6.744 1.00 0.00 H new ATOM 0 HG1 THR R 53 15.463 7.235 5.637 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.021 8.788 7.356 1.00 0.00 H new ATOM 0 HG22 THR R 53 17.700 9.380 7.352 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.619 9.757 5.989 1.00 0.00 H new ATOM 812 N ARG R 54 20.410 7.711 6.650 1.00 0.00 N ATOM 813 CA ARG R 54 21.514 8.198 7.503 1.00 0.00 C ATOM 814 C ARG R 54 22.613 8.850 6.665 1.00 0.00 C ATOM 815 O ARG R 54 23.171 9.849 7.053 1.00 0.00 O ATOM 816 CB ARG R 54 22.112 6.999 8.233 1.00 0.00 C ATOM 817 CG ARG R 54 20.993 6.142 8.816 1.00 0.00 C ATOM 818 CD ARG R 54 21.605 5.124 9.781 1.00 0.00 C ATOM 819 NE ARG R 54 20.613 4.049 10.054 1.00 0.00 N ATOM 820 CZ ARG R 54 20.899 3.130 10.933 1.00 0.00 C ATOM 821 NH1 ARG R 54 21.431 3.491 12.070 1.00 0.00 N ATOM 822 NH2 ARG R 54 20.652 1.881 10.646 1.00 0.00 N ATOM 0 H ARG R 54 20.286 6.699 6.630 1.00 0.00 H new ATOM 0 HA ARG R 54 21.122 8.939 8.200 1.00 0.00 H new ATOM 0 HB2 ARG R 54 22.716 6.407 7.546 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.775 7.339 9.029 1.00 0.00 H new ATOM 0 HG2 ARG R 54 20.270 6.769 9.337 1.00 0.00 H new ATOM 0 HG3 ARG R 54 20.455 5.630 8.018 1.00 0.00 H new ATOM 0 HD2 ARG R 54 22.512 4.698 9.352 1.00 0.00 H new ATOM 0 HD3 ARG R 54 21.893 5.614 10.711 1.00 0.00 H new ATOM 0 HE ARG R 54 19.721 4.031 9.560 1.00 0.00 H new ATOM 0 HH11 ARG R 54 21.615 4.477 12.257 1.00 0.00 H new ATOM 0 HH12 ARG R 54 21.662 2.787 12.771 1.00 0.00 H new ATOM 0 HH21 ARG R 54 20.241 1.636 9.745 1.00 0.00 H new ATOM 0 HH22 ARG R 54 20.870 1.150 11.323 1.00 0.00 H new ATOM 836 N VAL R 55 22.908 8.269 5.535 1.00 0.00 N ATOM 837 CA VAL R 55 23.971 8.859 4.673 1.00 0.00 C ATOM 838 C VAL R 55 23.561 10.261 4.218 1.00 0.00 C ATOM 839 O VAL R 55 24.387 11.082 3.875 1.00 0.00 O ATOM 840 CB VAL R 55 24.139 7.957 3.428 1.00 0.00 C ATOM 841 CG1 VAL R 55 23.328 8.509 2.240 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.617 7.907 3.024 1.00 0.00 C ATOM 0 H VAL R 55 22.466 7.423 5.175 1.00 0.00 H new ATOM 0 HA VAL R 55 24.904 8.926 5.233 1.00 0.00 H new ATOM 0 HB VAL R 55 23.778 6.960 3.680 1.00 0.00 H new ATOM 0 HG11 VAL R 55 23.461 7.859 1.375 1.00 0.00 H new ATOM 0 HG12 VAL R 55 22.272 8.547 2.507 1.00 0.00 H new ATOM 0 HG13 VAL R 55 23.677 9.513 1.996 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.733 7.271 2.147 1.00 0.00 H new ATOM 0 HG22 VAL R 55 25.965 8.913 2.791 1.00 0.00 H new ATOM 0 HG23 VAL R 55 26.206 7.501 3.847 1.00 0.00 H new ATOM 852 N ARG R 56 22.276 10.496 4.245 1.00 0.00 N ATOM 853 CA ARG R 56 21.740 11.822 3.820 1.00 0.00 C ATOM 854 C ARG R 56 22.211 12.998 4.683 1.00 0.00 C ATOM 855 O ARG R 56 22.896 13.875 4.200 1.00 0.00 O ATOM 856 CB ARG R 56 20.209 11.761 3.892 1.00 0.00 C ATOM 857 CG ARG R 56 19.622 12.540 2.713 1.00 0.00 C ATOM 858 CD ARG R 56 18.096 12.499 2.790 1.00 0.00 C ATOM 859 NE ARG R 56 17.552 12.253 1.427 1.00 0.00 N ATOM 860 CZ ARG R 56 16.292 12.490 1.186 1.00 0.00 C ATOM 861 NH1 ARG R 56 15.392 11.941 1.955 1.00 0.00 N ATOM 862 NH2 ARG R 56 15.975 13.271 0.190 1.00 0.00 N ATOM 0 H ARG R 56 21.571 9.823 4.545 1.00 0.00 H new ATOM 0 HA ARG R 56 22.113 12.004 2.812 1.00 0.00 H new ATOM 0 HB2 ARG R 56 19.872 10.725 3.863 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.859 12.184 4.834 1.00 0.00 H new ATOM 0 HG2 ARG R 56 19.971 13.572 2.735 1.00 0.00 H new ATOM 0 HG3 ARG R 56 19.962 12.108 1.772 1.00 0.00 H new ATOM 0 HD2 ARG R 56 17.774 11.712 3.472 1.00 0.00 H new ATOM 0 HD3 ARG R 56 17.713 13.440 3.185 1.00 0.00 H new ATOM 0 HE ARG R 56 18.160 11.902 0.687 1.00 0.00 H new ATOM 0 HH11 ARG R 56 15.679 11.340 2.727 1.00 0.00 H new ATOM 0 HH12 ARG R 56 14.401 12.113 1.784 1.00 0.00 H new ATOM 0 HH21 ARG R 56 16.708 13.686 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG R 56 14.995 13.467 -0.012 1.00 0.00 H new ATOM 876 N ILE R 57 21.842 13.008 5.935 1.00 0.00 N ATOM 877 CA ILE R 57 22.277 14.145 6.799 1.00 0.00 C ATOM 878 C ILE R 57 23.789 14.401 6.714 1.00 0.00 C ATOM 879 O ILE R 57 24.199 15.399 6.154 1.00 0.00 O ATOM 880 CB ILE R 57 21.846 13.875 8.251 1.00 0.00 C ATOM 881 CG1 ILE R 57 22.684 14.703 9.226 1.00 0.00 C ATOM 882 CG2 ILE R 57 22.016 12.381 8.564 1.00 0.00 C ATOM 883 CD1 ILE R 57 21.873 14.934 10.505 1.00 0.00 C ATOM 0 H ILE R 57 21.271 12.296 6.390 1.00 0.00 H new ATOM 0 HA ILE R 57 21.792 15.051 6.435 1.00 0.00 H new ATOM 0 HB ILE R 57 20.800 14.160 8.365 1.00 0.00 H new ATOM 0 HG12 ILE R 57 23.614 14.184 9.458 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.955 15.657 8.774 1.00 0.00 H new ATOM 0 HG21 ILE R 57 21.711 12.188 9.592 1.00 0.00 H new ATOM 0 HG22 ILE R 57 21.397 11.794 7.886 1.00 0.00 H new ATOM 0 HG23 ILE R 57 23.061 12.099 8.436 1.00 0.00 H new ATOM 0 HD11 ILE R 57 22.462 15.524 11.208 1.00 0.00 H new ATOM 0 HD12 ILE R 57 20.955 15.469 10.262 1.00 0.00 H new ATOM 0 HD13 ILE R 57 21.624 13.974 10.957 1.00 0.00 H new ATOM 895 N VAL R 58 24.593 13.527 7.269 1.00 0.00 N ATOM 896 CA VAL R 58 26.070 13.753 7.199 1.00 0.00 C ATOM 897 C VAL R 58 26.497 14.285 5.820 1.00 0.00 C ATOM 898 O VAL R 58 27.244 15.240 5.729 1.00 0.00 O ATOM 899 CB VAL R 58 26.788 12.418 7.479 1.00 0.00 C ATOM 900 CG1 VAL R 58 25.982 11.261 6.887 1.00 0.00 C ATOM 901 CG2 VAL R 58 28.180 12.436 6.842 1.00 0.00 C ATOM 0 H VAL R 58 24.298 12.682 7.759 1.00 0.00 H new ATOM 0 HA VAL R 58 26.342 14.501 7.943 1.00 0.00 H new ATOM 0 HB VAL R 58 26.879 12.285 8.557 1.00 0.00 H new ATOM 0 HG11 VAL R 58 26.494 10.320 7.088 1.00 0.00 H new ATOM 0 HG12 VAL R 58 24.991 11.239 7.340 1.00 0.00 H new ATOM 0 HG13 VAL R 58 25.885 11.398 5.810 1.00 0.00 H new ATOM 0 HG21 VAL R 58 28.684 11.491 7.042 1.00 0.00 H new ATOM 0 HG22 VAL R 58 28.086 12.576 5.765 1.00 0.00 H new ATOM 0 HG23 VAL R 58 28.763 13.255 7.264 1.00 0.00 H new ATOM 911 N GLU R 59 26.019 13.663 4.776 1.00 0.00 N ATOM 912 CA GLU R 59 26.395 14.133 3.411 1.00 0.00 C ATOM 913 C GLU R 59 25.889 15.551 3.174 1.00 0.00 C ATOM 914 O GLU R 59 26.667 16.465 2.986 1.00 0.00 O ATOM 915 CB GLU R 59 25.733 13.217 2.374 1.00 0.00 C ATOM 916 CG GLU R 59 26.456 11.875 2.353 1.00 0.00 C ATOM 917 CD GLU R 59 27.667 11.965 1.422 1.00 0.00 C ATOM 918 OE1 GLU R 59 28.605 12.639 1.816 1.00 0.00 O ATOM 919 OE2 GLU R 59 27.585 11.356 0.368 1.00 0.00 O ATOM 0 H GLU R 59 25.392 12.859 4.807 1.00 0.00 H new ATOM 0 HA GLU R 59 27.481 14.114 3.322 1.00 0.00 H new ATOM 0 HB2 GLU R 59 24.681 13.072 2.619 1.00 0.00 H new ATOM 0 HB3 GLU R 59 25.770 13.679 1.387 1.00 0.00 H new ATOM 0 HG2 GLU R 59 26.776 11.606 3.360 1.00 0.00 H new ATOM 0 HG3 GLU R 59 25.780 11.090 2.014 1.00 0.00 H new ATOM 926 N GLU R 60 24.589 15.689 3.170 1.00 0.00 N ATOM 927 CA GLU R 60 23.973 17.029 2.949 1.00 0.00 C ATOM 928 C GLU R 60 24.808 18.135 3.586 1.00 0.00 C ATOM 929 O GLU R 60 24.861 19.241 3.088 1.00 0.00 O ATOM 930 CB GLU R 60 22.584 17.035 3.597 1.00 0.00 C ATOM 931 CG GLU R 60 21.743 18.149 2.972 1.00 0.00 C ATOM 932 CD GLU R 60 21.080 17.625 1.697 1.00 0.00 C ATOM 933 OE1 GLU R 60 20.091 16.926 1.850 1.00 0.00 O ATOM 934 OE2 GLU R 60 21.598 17.953 0.642 1.00 0.00 O ATOM 0 H GLU R 60 23.925 14.927 3.311 1.00 0.00 H new ATOM 0 HA GLU R 60 23.914 17.213 1.876 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.098 16.070 3.452 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.672 17.189 4.672 1.00 0.00 H new ATOM 0 HG2 GLU R 60 20.984 18.488 3.678 1.00 0.00 H new ATOM 0 HG3 GLU R 60 22.371 19.010 2.742 1.00 0.00 H new ATOM 941 N LEU R 61 25.445 17.816 4.678 1.00 0.00 N ATOM 942 CA LEU R 61 26.279 18.840 5.354 1.00 0.00 C ATOM 943 C LEU R 61 27.586 19.042 4.591 1.00 0.00 C ATOM 944 O LEU R 61 28.034 20.156 4.411 1.00 0.00 O ATOM 945 CB LEU R 61 26.589 18.357 6.776 1.00 0.00 C ATOM 946 CG LEU R 61 25.312 18.420 7.624 1.00 0.00 C ATOM 947 CD1 LEU R 61 25.581 17.791 8.991 1.00 0.00 C ATOM 948 CD2 LEU R 61 24.882 19.881 7.818 1.00 0.00 C ATOM 0 H LEU R 61 25.423 16.900 5.126 1.00 0.00 H new ATOM 0 HA LEU R 61 25.741 19.787 5.384 1.00 0.00 H new ATOM 0 HB2 LEU R 61 26.972 17.337 6.750 1.00 0.00 H new ATOM 0 HB3 LEU R 61 27.366 18.978 7.222 1.00 0.00 H new ATOM 0 HG LEU R 61 24.518 17.876 7.114 1.00 0.00 H new ATOM 0 HD11 LEU R 61 24.675 17.834 9.596 1.00 0.00 H new ATOM 0 HD12 LEU R 61 25.881 16.751 8.860 1.00 0.00 H new ATOM 0 HD13 LEU R 61 26.379 18.338 9.493 1.00 0.00 H new ATOM 0 HD21 LEU R 61 23.975 19.916 8.421 1.00 0.00 H new ATOM 0 HD22 LEU R 61 25.676 20.430 8.325 1.00 0.00 H new ATOM 0 HD23 LEU R 61 24.690 20.336 6.846 1.00 0.00 H new ATOM 1426 N PRO R 93 25.064 18.397 19.330 1.00 0.00 N ATOM 1427 CA PRO R 93 25.786 18.114 18.082 1.00 0.00 C ATOM 1428 C PRO R 93 27.238 18.555 18.200 1.00 0.00 C ATOM 1429 O PRO R 93 28.073 18.184 17.399 1.00 0.00 O ATOM 1430 CB PRO R 93 25.066 18.951 17.011 1.00 0.00 C ATOM 1431 CG PRO R 93 23.911 19.713 17.709 1.00 0.00 C ATOM 1432 CD PRO R 93 23.974 19.385 19.208 1.00 0.00 C ATOM 0 HA PRO R 93 25.792 17.051 17.843 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.758 19.651 16.543 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.678 18.309 16.220 1.00 0.00 H new ATOM 0 HG2 PRO R 93 24.009 20.787 17.548 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.949 19.415 17.292 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.180 20.277 19.800 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.028 18.977 19.564 1.00 0.00 H new ATOM 1440 N VAL R 94 27.508 19.354 19.196 1.00 0.00 N ATOM 1441 CA VAL R 94 28.899 19.826 19.386 1.00 0.00 C ATOM 1442 C VAL R 94 29.801 18.634 19.673 1.00 0.00 C ATOM 1443 O VAL R 94 31.011 18.733 19.639 1.00 0.00 O ATOM 1444 CB VAL R 94 28.925 20.783 20.583 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.213 21.610 20.540 1.00 0.00 C ATOM 1446 CG2 VAL R 94 27.719 21.722 20.500 1.00 0.00 C ATOM 0 H VAL R 94 26.830 19.695 19.878 1.00 0.00 H new ATOM 0 HA VAL R 94 29.251 20.335 18.489 1.00 0.00 H new ATOM 0 HB VAL R 94 28.886 20.214 21.512 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.236 22.292 21.390 1.00 0.00 H new ATOM 0 HG12 VAL R 94 31.075 20.944 20.586 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.247 22.183 19.613 1.00 0.00 H new ATOM 0 HG21 VAL R 94 27.731 22.406 21.349 1.00 0.00 H new ATOM 0 HG22 VAL R 94 27.766 22.293 19.573 1.00 0.00 H new ATOM 0 HG23 VAL R 94 26.800 21.136 20.519 1.00 0.00 H new ATOM 1456 N GLU R 95 29.179 17.522 19.955 1.00 0.00 N ATOM 1457 CA GLU R 95 29.964 16.298 20.249 1.00 0.00 C ATOM 1458 C GLU R 95 30.228 15.541 18.953 1.00 0.00 C ATOM 1459 O GLU R 95 31.009 14.610 18.911 1.00 0.00 O ATOM 1460 CB GLU R 95 29.147 15.406 21.197 1.00 0.00 C ATOM 1461 CG GLU R 95 29.005 16.094 22.559 1.00 0.00 C ATOM 1462 CD GLU R 95 28.822 15.035 23.649 1.00 0.00 C ATOM 1463 OE1 GLU R 95 29.803 14.364 23.922 1.00 0.00 O ATOM 1464 OE2 GLU R 95 27.710 14.956 24.146 1.00 0.00 O ATOM 0 H GLU R 95 28.166 17.412 19.994 1.00 0.00 H new ATOM 0 HA GLU R 95 30.914 16.568 20.711 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.162 15.213 20.772 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.638 14.440 21.316 1.00 0.00 H new ATOM 0 HG2 GLU R 95 29.889 16.697 22.768 1.00 0.00 H new ATOM 0 HG3 GLU R 95 28.152 16.772 22.549 1.00 0.00 H new ATOM 1471 N LEU R 96 29.560 15.968 17.912 1.00 0.00 N ATOM 1472 CA LEU R 96 29.739 15.306 16.596 1.00 0.00 C ATOM 1473 C LEU R 96 30.813 16.024 15.791 1.00 0.00 C ATOM 1474 O LEU R 96 31.663 15.403 15.179 1.00 0.00 O ATOM 1475 CB LEU R 96 28.400 15.375 15.844 1.00 0.00 C ATOM 1476 CG LEU R 96 28.568 14.888 14.396 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.251 13.517 14.369 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.181 14.756 13.763 1.00 0.00 C ATOM 0 H LEU R 96 28.900 16.746 17.922 1.00 0.00 H new ATOM 0 HA LEU R 96 30.047 14.270 16.737 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.657 14.763 16.356 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.027 16.399 15.848 1.00 0.00 H new ATOM 0 HG LEU R 96 29.181 15.603 13.847 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.362 13.186 13.336 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.234 13.591 14.834 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.643 12.797 14.917 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.282 14.411 12.734 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.589 14.038 14.330 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.683 15.725 13.773 1.00 0.00 H new ATOM 1490 N ARG R 97 30.760 17.325 15.808 1.00 0.00 N ATOM 1491 CA ARG R 97 31.761 18.093 15.059 1.00 0.00 C ATOM 1492 C ARG R 97 33.156 17.614 15.434 1.00 0.00 C ATOM 1493 O ARG R 97 34.111 17.865 14.734 1.00 0.00 O ATOM 1494 CB ARG R 97 31.599 19.559 15.453 1.00 0.00 C ATOM 1495 CG ARG R 97 30.190 20.029 15.086 1.00 0.00 C ATOM 1496 CD ARG R 97 30.039 21.503 15.465 1.00 0.00 C ATOM 1497 NE ARG R 97 30.803 22.334 14.492 1.00 0.00 N ATOM 1498 CZ ARG R 97 31.467 23.374 14.921 1.00 0.00 C ATOM 1499 NH1 ARG R 97 30.806 24.370 15.443 1.00 0.00 N ATOM 1500 NH2 ARG R 97 32.767 23.384 14.811 1.00 0.00 N ATOM 0 H ARG R 97 30.065 17.879 16.309 1.00 0.00 H new ATOM 0 HA ARG R 97 31.625 17.964 13.985 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.768 19.681 16.523 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.343 20.169 14.941 1.00 0.00 H new ATOM 0 HG2 ARG R 97 30.015 19.896 14.018 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.445 19.428 15.608 1.00 0.00 H new ATOM 0 HD2 ARG R 97 28.987 21.788 15.459 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.409 21.672 16.476 1.00 0.00 H new ATOM 0 HE ARG R 97 30.807 22.093 13.501 1.00 0.00 H new ATOM 0 HH11 ARG R 97 29.789 24.328 15.510 1.00 0.00 H new ATOM 0 HH12 ARG R 97 31.306 25.191 15.784 1.00 0.00 H new ATOM 0 HH21 ARG R 97 33.250 22.588 14.395 1.00 0.00 H new ATOM 0 HH22 ARG R 97 33.301 24.188 15.141 1.00 0.00 H new ATOM 1514 N GLN R 98 33.243 16.926 16.540 1.00 0.00 N ATOM 1515 CA GLN R 98 34.556 16.421 16.980 1.00 0.00 C ATOM 1516 C GLN R 98 35.189 15.597 15.876 1.00 0.00 C ATOM 1517 O GLN R 98 36.264 15.903 15.401 1.00 0.00 O ATOM 1518 CB GLN R 98 34.317 15.519 18.185 1.00 0.00 C ATOM 1519 CG GLN R 98 34.055 16.391 19.403 1.00 0.00 C ATOM 1520 CD GLN R 98 35.391 16.781 20.041 1.00 0.00 C ATOM 1521 OE1 GLN R 98 36.103 17.631 19.545 1.00 0.00 O ATOM 1522 NE2 GLN R 98 35.772 16.182 21.136 1.00 0.00 N ATOM 0 H GLN R 98 32.459 16.697 17.150 1.00 0.00 H new ATOM 0 HA GLN R 98 35.217 17.252 17.227 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.468 14.861 18.002 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.184 14.881 18.357 1.00 0.00 H new ATOM 0 HG2 GLN R 98 33.502 17.285 19.113 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.438 15.854 20.123 1.00 0.00 H new ATOM 0 HE21 GLN R 98 35.180 15.467 21.559 1.00 0.00 H new ATOM 0 HE22 GLN R 98 36.662 16.429 21.569 1.00 0.00 H new ATOM 1531 N TRP R 99 34.505 14.557 15.490 1.00 0.00 N ATOM 1532 CA TRP R 99 35.059 13.703 14.412 1.00 0.00 C ATOM 1533 C TRP R 99 34.671 14.213 13.028 1.00 0.00 C ATOM 1534 O TRP R 99 35.511 14.440 12.181 1.00 0.00 O ATOM 1535 CB TRP R 99 34.509 12.280 14.523 1.00 0.00 C ATOM 1536 CG TRP R 99 35.160 11.504 13.416 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.479 11.274 13.338 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.520 10.911 12.426 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.591 10.506 12.266 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.425 10.228 11.647 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.169 10.865 12.112 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.996 9.503 10.586 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.748 10.127 11.042 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.664 9.447 10.285 1.00 0.00 C ATOM 0 H TRP R 99 33.603 14.267 15.868 1.00 0.00 H new ATOM 0 HA TRP R 99 36.142 13.725 14.530 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.742 11.845 15.495 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.424 12.271 14.422 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.261 11.630 13.992 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.488 10.152 11.934 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.454 11.410 12.710 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.709 8.968 9.976 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.698 10.080 10.795 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.331 8.861 9.442 1.00 0.00 H new ATOM 1555 N LEU R 100 33.399 14.352 12.822 1.00 0.00 N ATOM 1556 CA LEU R 100 32.909 14.839 11.507 1.00 0.00 C ATOM 1557 C LEU R 100 33.774 15.972 10.940 1.00 0.00 C ATOM 1558 O LEU R 100 33.906 16.099 9.740 1.00 0.00 O ATOM 1559 CB LEU R 100 31.479 15.334 11.696 1.00 0.00 C ATOM 1560 CG LEU R 100 30.754 15.302 10.347 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.568 13.854 9.873 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.384 15.938 10.505 1.00 0.00 C ATOM 0 H LEU R 100 32.672 14.149 13.508 1.00 0.00 H new ATOM 0 HA LEU R 100 32.958 14.017 10.792 1.00 0.00 H new ATOM 0 HB2 LEU R 100 30.957 14.707 12.418 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.482 16.348 12.097 1.00 0.00 H new ATOM 0 HG LEU R 100 31.350 15.847 9.615 1.00 0.00 H new ATOM 0 HD11 LEU R 100 30.051 13.849 8.913 1.00 0.00 H new ATOM 0 HD12 LEU R 100 31.543 13.379 9.763 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.977 13.304 10.606 1.00 0.00 H new ATOM 0 HD21 LEU R 100 28.862 15.919 9.549 1.00 0.00 H new ATOM 0 HD22 LEU R 100 28.808 15.382 11.244 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.498 16.970 10.836 1.00 0.00 H new ATOM 1574 N GLU R 101 34.346 16.777 11.797 1.00 0.00 N ATOM 1575 CA GLU R 101 35.194 17.892 11.293 1.00 0.00 C ATOM 1576 C GLU R 101 36.471 17.355 10.648 1.00 0.00 C ATOM 1577 O GLU R 101 37.000 17.937 9.721 1.00 0.00 O ATOM 1578 CB GLU R 101 35.589 18.766 12.489 1.00 0.00 C ATOM 1579 CG GLU R 101 36.739 19.678 12.077 1.00 0.00 C ATOM 1580 CD GLU R 101 36.773 20.904 12.994 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.007 21.812 12.713 1.00 0.00 O ATOM 1582 OE2 GLU R 101 37.564 20.865 13.923 1.00 0.00 O ATOM 0 H GLU R 101 34.263 16.711 12.811 1.00 0.00 H new ATOM 0 HA GLU R 101 34.634 18.459 10.549 1.00 0.00 H new ATOM 0 HB2 GLU R 101 34.737 19.360 12.819 1.00 0.00 H new ATOM 0 HB3 GLU R 101 35.887 18.141 13.331 1.00 0.00 H new ATOM 0 HG2 GLU R 101 37.684 19.139 12.138 1.00 0.00 H new ATOM 0 HG3 GLU R 101 36.616 19.990 11.040 1.00 0.00 H new ATOM 1589 N GLU R 102 36.944 16.255 11.165 1.00 0.00 N ATOM 1590 CA GLU R 102 38.186 15.646 10.618 1.00 0.00 C ATOM 1591 C GLU R 102 37.913 14.839 9.346 1.00 0.00 C ATOM 1592 O GLU R 102 38.800 14.657 8.534 1.00 0.00 O ATOM 1593 CB GLU R 102 38.746 14.696 11.687 1.00 0.00 C ATOM 1594 CG GLU R 102 38.922 15.475 12.990 1.00 0.00 C ATOM 1595 CD GLU R 102 39.850 14.699 13.927 1.00 0.00 C ATOM 1596 OE1 GLU R 102 41.010 14.584 13.567 1.00 0.00 O ATOM 1597 OE2 GLU R 102 39.346 14.268 14.950 1.00 0.00 O ATOM 0 H GLU R 102 36.522 15.751 11.945 1.00 0.00 H new ATOM 0 HA GLU R 102 38.887 16.442 10.366 1.00 0.00 H new ATOM 0 HB2 GLU R 102 38.069 13.855 11.838 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.701 14.282 11.362 1.00 0.00 H new ATOM 0 HG2 GLU R 102 39.338 16.461 12.783 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.954 15.631 13.466 1.00 0.00 H new ATOM 1604 N VAL R 103 36.698 14.374 9.193 1.00 0.00 N ATOM 1605 CA VAL R 103 36.371 13.575 7.974 1.00 0.00 C ATOM 1606 C VAL R 103 35.681 14.415 6.888 1.00 0.00 C ATOM 1607 O VAL R 103 35.901 14.195 5.713 1.00 0.00 O ATOM 1608 CB VAL R 103 35.465 12.406 8.404 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.989 12.772 8.232 1.00 0.00 C ATOM 1610 CG2 VAL R 103 35.779 11.183 7.541 1.00 0.00 C ATOM 0 H VAL R 103 35.929 14.511 9.849 1.00 0.00 H new ATOM 0 HA VAL R 103 37.299 13.209 7.534 1.00 0.00 H new ATOM 0 HB VAL R 103 35.653 12.188 9.455 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.367 11.932 8.542 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.756 13.642 8.846 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.791 13.003 7.185 1.00 0.00 H new ATOM 0 HG21 VAL R 103 35.140 10.352 7.841 1.00 0.00 H new ATOM 0 HG22 VAL R 103 35.597 11.421 6.493 1.00 0.00 H new ATOM 0 HG23 VAL R 103 36.824 10.903 7.673 1.00 0.00 H new ATOM 1620 N LEU R 104 34.866 15.361 7.282 1.00 0.00 N ATOM 1621 CA LEU R 104 34.174 16.199 6.258 1.00 0.00 C ATOM 1622 C LEU R 104 34.988 17.451 5.935 1.00 0.00 C ATOM 1623 O LEU R 104 35.313 17.705 4.792 1.00 0.00 O ATOM 1624 CB LEU R 104 32.810 16.633 6.815 1.00 0.00 C ATOM 1625 CG LEU R 104 31.698 16.264 5.818 1.00 0.00 C ATOM 1626 CD1 LEU R 104 31.608 14.740 5.675 1.00 0.00 C ATOM 1627 CD2 LEU R 104 30.357 16.790 6.341 1.00 0.00 C ATOM 0 H LEU R 104 34.652 15.587 8.254 1.00 0.00 H new ATOM 0 HA LEU R 104 34.056 15.611 5.348 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.627 16.147 7.774 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.806 17.708 6.996 1.00 0.00 H new ATOM 0 HG LEU R 104 31.926 16.708 4.849 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.818 14.487 4.967 1.00 0.00 H new ATOM 0 HD12 LEU R 104 32.559 14.352 5.311 1.00 0.00 H new ATOM 0 HD13 LEU R 104 31.382 14.296 6.645 1.00 0.00 H new ATOM 0 HD21 LEU R 104 29.565 16.531 5.638 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.143 16.340 7.310 1.00 0.00 H new ATOM 0 HD23 LEU R 104 30.408 17.874 6.447 1.00 0.00 H new ATOM 1639 N LEU R 105 35.299 18.212 6.948 1.00 0.00 N ATOM 1640 CA LEU R 105 36.092 19.449 6.718 1.00 0.00 C ATOM 1641 C LEU R 105 37.546 19.107 6.403 1.00 0.00 C ATOM 1642 O LEU R 105 38.375 19.982 6.254 1.00 0.00 O ATOM 1643 CB LEU R 105 36.050 20.295 7.998 1.00 0.00 C ATOM 1644 CG LEU R 105 36.095 21.781 7.628 1.00 0.00 C ATOM 1645 CD1 LEU R 105 34.671 22.287 7.386 1.00 0.00 C ATOM 1646 CD2 LEU R 105 36.715 22.566 8.786 1.00 0.00 C ATOM 0 H LEU R 105 35.040 18.032 7.918 1.00 0.00 H new ATOM 0 HA LEU R 105 35.669 19.994 5.874 1.00 0.00 H new ATOM 0 HB2 LEU R 105 35.143 20.077 8.562 1.00 0.00 H new ATOM 0 HB3 LEU R 105 36.893 20.043 8.641 1.00 0.00 H new ATOM 0 HG LEU R 105 36.691 21.917 6.725 1.00 0.00 H new ATOM 0 HD11 LEU R 105 34.700 23.344 7.123 1.00 0.00 H new ATOM 0 HD12 LEU R 105 34.218 21.722 6.571 1.00 0.00 H new ATOM 0 HD13 LEU R 105 34.079 22.155 8.292 1.00 0.00 H new ATOM 0 HD21 LEU R 105 36.750 23.625 8.530 1.00 0.00 H new ATOM 0 HD22 LEU R 105 36.111 22.430 9.683 1.00 0.00 H new ATOM 0 HD23 LEU R 105 37.726 22.203 8.971 1.00 0.00 H new ATOM 1871 N HIS S 16 23.207 0.942 -4.481 1.00 0.00 N ATOM 1872 CA HIS S 16 24.415 0.381 -3.814 1.00 0.00 C ATOM 1873 C HIS S 16 25.457 1.465 -3.539 1.00 0.00 C ATOM 1874 O HIS S 16 26.335 1.287 -2.717 1.00 0.00 O ATOM 1875 CB HIS S 16 25.034 -0.674 -4.742 1.00 0.00 C ATOM 1876 CG HIS S 16 25.513 -1.868 -3.914 1.00 0.00 C ATOM 1877 ND1 HIS S 16 24.924 -2.330 -2.890 1.00 0.00 N ATOM 1878 CD2 HIS S 16 26.621 -2.678 -4.083 1.00 0.00 C ATOM 1879 CE1 HIS S 16 25.558 -3.339 -2.420 1.00 0.00 C ATOM 1880 NE2 HIS S 16 26.644 -3.619 -3.123 1.00 0.00 N ATOM 0 HA HIS S 16 24.116 -0.055 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS S 16 24.300 -1.000 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS S 16 25.869 -0.243 -5.294 1.00 0.00 H new ATOM 0 HD2 HIS S 16 27.356 -2.571 -4.867 1.00 0.00 H new ATOM 0 HE1 HIS S 16 25.243 -3.897 -1.551 1.00 0.00 H new ATOM 0 HE2 HIS S 16 27.327 -4.362 -2.974 1.00 0.00 H new ATOM 1888 N GLN S 17 25.345 2.570 -4.228 1.00 0.00 N ATOM 1889 CA GLN S 17 26.326 3.667 -4.010 1.00 0.00 C ATOM 1890 C GLN S 17 26.266 4.172 -2.572 1.00 0.00 C ATOM 1891 O GLN S 17 27.280 4.434 -1.957 1.00 0.00 O ATOM 1892 CB GLN S 17 25.970 4.825 -4.949 1.00 0.00 C ATOM 1893 CG GLN S 17 25.868 4.300 -6.381 1.00 0.00 C ATOM 1894 CD GLN S 17 26.599 5.257 -7.327 1.00 0.00 C ATOM 1895 OE1 GLN S 17 25.989 6.051 -8.016 1.00 0.00 O ATOM 1896 NE2 GLN S 17 27.902 5.217 -7.388 1.00 0.00 N ATOM 0 H GLN S 17 24.624 2.757 -4.925 1.00 0.00 H new ATOM 0 HA GLN S 17 27.330 3.291 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.025 5.276 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN S 17 26.729 5.604 -4.888 1.00 0.00 H new ATOM 0 HG2 GLN S 17 26.304 3.303 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.822 4.210 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN S 17 28.419 4.553 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN S 17 28.403 5.850 -8.011 1.00 0.00 H new ATOM 1905 N GLU S 18 25.072 4.298 -2.066 1.00 0.00 N ATOM 1906 CA GLU S 18 24.913 4.783 -0.672 1.00 0.00 C ATOM 1907 C GLU S 18 25.407 3.749 0.335 1.00 0.00 C ATOM 1908 O GLU S 18 26.077 4.078 1.294 1.00 0.00 O ATOM 1909 CB GLU S 18 23.420 5.020 -0.423 1.00 0.00 C ATOM 1910 CG GLU S 18 22.795 5.631 -1.679 1.00 0.00 C ATOM 1911 CD GLU S 18 21.536 6.408 -1.286 1.00 0.00 C ATOM 1912 OE1 GLU S 18 21.701 7.373 -0.558 1.00 0.00 O ATOM 1913 OE2 GLU S 18 20.482 5.990 -1.735 1.00 0.00 O ATOM 0 H GLU S 18 24.203 4.086 -2.557 1.00 0.00 H new ATOM 0 HA GLU S 18 25.496 5.695 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU S 18 22.926 4.080 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU S 18 23.282 5.686 0.428 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.508 6.294 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU S 18 22.545 4.847 -2.394 1.00 0.00 H new ATOM 1920 N TRP S 19 25.062 2.514 0.096 1.00 0.00 N ATOM 1921 CA TRP S 19 25.495 1.438 1.023 1.00 0.00 C ATOM 1922 C TRP S 19 27.008 1.435 1.239 1.00 0.00 C ATOM 1923 O TRP S 19 27.483 0.969 2.255 1.00 0.00 O ATOM 1924 CB TRP S 19 25.091 0.087 0.421 1.00 0.00 C ATOM 1925 CG TRP S 19 25.513 -1.016 1.389 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.665 -1.702 1.310 1.00 0.00 C ATOM 1927 CD2 TRP S 19 24.832 -1.386 2.470 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.638 -2.484 2.389 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.534 -2.352 3.167 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.601 -0.958 2.931 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.007 -2.885 4.325 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.075 -1.497 4.087 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.778 -2.460 4.784 1.00 0.00 C ATOM 0 H TRP S 19 24.501 2.207 -0.699 1.00 0.00 H new ATOM 0 HA TRP S 19 25.016 1.612 1.987 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.015 0.053 0.253 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.569 -0.055 -0.548 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.431 -1.636 0.552 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.392 -3.134 2.613 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.052 -0.203 2.387 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.557 -3.636 4.873 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.112 -1.165 4.447 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.365 -2.880 5.689 1.00 0.00 H new ATOM 1944 N LEU S 20 27.739 1.956 0.293 1.00 0.00 N ATOM 1945 CA LEU S 20 29.219 1.977 0.452 1.00 0.00 C ATOM 1946 C LEU S 20 29.706 3.285 1.073 1.00 0.00 C ATOM 1947 O LEU S 20 30.762 3.333 1.673 1.00 0.00 O ATOM 1948 CB LEU S 20 29.851 1.815 -0.934 1.00 0.00 C ATOM 1949 CG LEU S 20 29.518 0.413 -1.468 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.654 0.413 -2.991 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.484 -0.622 -0.877 1.00 0.00 C ATOM 0 H LEU S 20 27.382 2.363 -0.572 1.00 0.00 H new ATOM 0 HA LEU S 20 29.509 1.165 1.119 1.00 0.00 H new ATOM 0 HB2 LEU S 20 29.471 2.578 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU S 20 30.931 1.950 -0.875 1.00 0.00 H new ATOM 0 HG LEU S 20 28.499 0.154 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.419 -0.579 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU S 20 28.964 1.141 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.676 0.677 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.238 -1.611 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.506 -0.367 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.395 -0.624 0.209 1.00 0.00 H new ATOM 1963 N ARG S 21 28.923 4.319 0.939 1.00 0.00 N ATOM 1964 CA ARG S 21 29.341 5.621 1.519 1.00 0.00 C ATOM 1965 C ARG S 21 29.145 5.656 3.035 1.00 0.00 C ATOM 1966 O ARG S 21 30.096 5.794 3.779 1.00 0.00 O ATOM 1967 CB ARG S 21 28.488 6.723 0.886 1.00 0.00 C ATOM 1968 CG ARG S 21 29.014 7.012 -0.521 1.00 0.00 C ATOM 1969 CD ARG S 21 28.234 8.184 -1.116 1.00 0.00 C ATOM 1970 NE ARG S 21 28.705 8.415 -2.507 1.00 0.00 N ATOM 1971 CZ ARG S 21 28.206 9.405 -3.195 1.00 0.00 C ATOM 1972 NH1 ARG S 21 26.970 9.761 -2.977 1.00 0.00 N ATOM 1973 NH2 ARG S 21 28.961 10.008 -4.071 1.00 0.00 N ATOM 0 H ARG S 21 28.023 4.318 0.459 1.00 0.00 H new ATOM 0 HA ARG S 21 30.401 5.768 1.313 1.00 0.00 H new ATOM 0 HB2 ARG S 21 27.444 6.413 0.842 1.00 0.00 H new ATOM 0 HB3 ARG S 21 28.526 7.626 1.495 1.00 0.00 H new ATOM 0 HG2 ARG S 21 30.077 7.248 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG S 21 28.906 6.129 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG S 21 27.166 7.968 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG S 21 28.382 9.080 -0.514 1.00 0.00 H new ATOM 0 HE ARG S 21 29.411 7.806 -2.919 1.00 0.00 H new ATOM 0 HH11 ARG S 21 26.413 9.268 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG S 21 26.561 10.532 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG S 21 29.925 9.704 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG S 21 28.588 10.784 -4.618 1.00 0.00 H new ATOM 1987 N PHE S 22 27.920 5.530 3.466 1.00 0.00 N ATOM 1988 CA PHE S 22 27.665 5.556 4.933 1.00 0.00 C ATOM 1989 C PHE S 22 28.667 4.685 5.683 1.00 0.00 C ATOM 1990 O PHE S 22 29.308 5.127 6.618 1.00 0.00 O ATOM 1991 CB PHE S 22 26.261 5.003 5.209 1.00 0.00 C ATOM 1992 CG PHE S 22 25.952 5.169 6.700 1.00 0.00 C ATOM 1993 CD1 PHE S 22 25.853 6.429 7.259 1.00 0.00 C ATOM 1994 CD2 PHE S 22 25.795 4.059 7.513 1.00 0.00 C ATOM 1995 CE1 PHE S 22 25.604 6.578 8.608 1.00 0.00 C ATOM 1996 CE2 PHE S 22 25.546 4.210 8.861 1.00 0.00 C ATOM 1997 CZ PHE S 22 25.450 5.469 9.409 1.00 0.00 C ATOM 0 H PHE S 22 27.096 5.412 2.876 1.00 0.00 H new ATOM 0 HA PHE S 22 27.759 6.587 5.273 1.00 0.00 H new ATOM 0 HB2 PHE S 22 25.521 5.533 4.609 1.00 0.00 H new ATOM 0 HB3 PHE S 22 26.207 3.952 4.927 1.00 0.00 H new ATOM 0 HD1 PHE S 22 25.971 7.303 6.636 1.00 0.00 H new ATOM 0 HD2 PHE S 22 25.868 3.069 7.089 1.00 0.00 H new ATOM 0 HE1 PHE S 22 25.530 7.567 9.036 1.00 0.00 H new ATOM 0 HE2 PHE S 22 25.426 3.339 9.488 1.00 0.00 H new ATOM 0 HZ PHE S 22 25.254 5.587 10.465 1.00 0.00 H new ATOM 2007 N VAL S 23 28.782 3.460 5.257 1.00 0.00 N ATOM 2008 CA VAL S 23 29.730 2.541 5.930 1.00 0.00 C ATOM 2009 C VAL S 23 31.168 3.057 5.868 1.00 0.00 C ATOM 2010 O VAL S 23 31.910 2.932 6.823 1.00 0.00 O ATOM 2011 CB VAL S 23 29.641 1.177 5.245 1.00 0.00 C ATOM 2012 CG1 VAL S 23 28.224 0.630 5.428 1.00 0.00 C ATOM 2013 CG2 VAL S 23 29.923 1.333 3.752 1.00 0.00 C ATOM 0 H VAL S 23 28.262 3.059 4.476 1.00 0.00 H new ATOM 0 HA VAL S 23 29.459 2.468 6.983 1.00 0.00 H new ATOM 0 HB VAL S 23 30.371 0.497 5.683 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.145 -0.344 4.944 1.00 0.00 H new ATOM 0 HG12 VAL S 23 28.009 0.526 6.491 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.508 1.318 4.979 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.859 0.359 3.266 1.00 0.00 H new ATOM 0 HG22 VAL S 23 29.189 2.007 3.312 1.00 0.00 H new ATOM 0 HG23 VAL S 23 30.923 1.744 3.612 1.00 0.00 H new ATOM 2023 N ASP S 24 31.547 3.622 4.753 1.00 0.00 N ATOM 2024 CA ASP S 24 32.939 4.141 4.647 1.00 0.00 C ATOM 2025 C ASP S 24 33.260 5.075 5.814 1.00 0.00 C ATOM 2026 O ASP S 24 34.399 5.199 6.221 1.00 0.00 O ATOM 2027 CB ASP S 24 33.070 4.932 3.341 1.00 0.00 C ATOM 2028 CG ASP S 24 34.183 4.321 2.491 1.00 0.00 C ATOM 2029 OD1 ASP S 24 34.087 3.128 2.249 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.067 5.082 2.129 1.00 0.00 O ATOM 0 H ASP S 24 30.964 3.745 3.925 1.00 0.00 H new ATOM 0 HA ASP S 24 33.630 3.299 4.666 1.00 0.00 H new ATOM 0 HB2 ASP S 24 32.127 4.913 2.795 1.00 0.00 H new ATOM 0 HB3 ASP S 24 33.293 5.977 3.556 1.00 0.00 H new ATOM 2035 N LEU S 25 32.245 5.709 6.331 1.00 0.00 N ATOM 2036 CA LEU S 25 32.457 6.641 7.467 1.00 0.00 C ATOM 2037 C LEU S 25 32.539 5.872 8.789 1.00 0.00 C ATOM 2038 O LEU S 25 33.424 6.101 9.590 1.00 0.00 O ATOM 2039 CB LEU S 25 31.264 7.598 7.511 1.00 0.00 C ATOM 2040 CG LEU S 25 31.006 8.142 6.101 1.00 0.00 C ATOM 2041 CD1 LEU S 25 29.940 9.233 6.181 1.00 0.00 C ATOM 2042 CD2 LEU S 25 32.295 8.747 5.541 1.00 0.00 C ATOM 0 H LEU S 25 31.279 5.621 6.015 1.00 0.00 H new ATOM 0 HA LEU S 25 33.392 7.184 7.331 1.00 0.00 H new ATOM 0 HB2 LEU S 25 30.380 7.080 7.882 1.00 0.00 H new ATOM 0 HB3 LEU S 25 31.465 8.418 8.200 1.00 0.00 H new ATOM 0 HG LEU S 25 30.671 7.333 5.452 1.00 0.00 H new ATOM 0 HD11 LEU S 25 29.748 9.628 5.183 1.00 0.00 H new ATOM 0 HD12 LEU S 25 29.020 8.814 6.589 1.00 0.00 H new ATOM 0 HD13 LEU S 25 30.290 10.037 6.828 1.00 0.00 H new ATOM 0 HD21 LEU S 25 32.110 9.133 4.539 1.00 0.00 H new ATOM 0 HD22 LEU S 25 32.626 9.559 6.188 1.00 0.00 H new ATOM 0 HD23 LEU S 25 33.068 7.980 5.497 1.00 0.00 H new ATOM 2054 N LEU S 26 31.607 4.979 8.987 1.00 0.00 N ATOM 2055 CA LEU S 26 31.599 4.175 10.245 1.00 0.00 C ATOM 2056 C LEU S 26 33.013 3.729 10.610 1.00 0.00 C ATOM 2057 O LEU S 26 33.536 4.083 11.644 1.00 0.00 O ATOM 2058 CB LEU S 26 30.752 2.916 9.992 1.00 0.00 C ATOM 2059 CG LEU S 26 29.421 2.999 10.750 1.00 0.00 C ATOM 2060 CD1 LEU S 26 28.579 4.151 10.191 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.644 1.692 10.561 1.00 0.00 C ATOM 0 H LEU S 26 30.852 4.771 8.334 1.00 0.00 H new ATOM 0 HA LEU S 26 31.196 4.780 11.057 1.00 0.00 H new ATOM 0 HB2 LEU S 26 30.562 2.807 8.924 1.00 0.00 H new ATOM 0 HB3 LEU S 26 31.303 2.031 10.310 1.00 0.00 H new ATOM 0 HG LEU S 26 29.624 3.166 11.808 1.00 0.00 H new ATOM 0 HD11 LEU S 26 27.634 4.207 10.732 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.121 5.089 10.310 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.382 3.978 9.133 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.698 1.750 11.099 1.00 0.00 H new ATOM 0 HD22 LEU S 26 28.449 1.535 9.500 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.232 0.860 10.949 1.00 0.00 H new ATOM 2073 N LYS S 27 33.588 2.947 9.742 1.00 0.00 N ATOM 2074 CA LYS S 27 34.966 2.430 9.957 1.00 0.00 C ATOM 2075 C LYS S 27 35.942 3.517 10.428 1.00 0.00 C ATOM 2076 O LYS S 27 36.481 3.447 11.515 1.00 0.00 O ATOM 2077 CB LYS S 27 35.418 1.919 8.582 1.00 0.00 C ATOM 2078 CG LYS S 27 36.002 0.513 8.676 1.00 0.00 C ATOM 2079 CD LYS S 27 36.023 -0.095 7.268 1.00 0.00 C ATOM 2080 CE LYS S 27 37.375 -0.744 7.016 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.814 -1.546 8.192 1.00 0.00 N ATOM 0 H LYS S 27 33.151 2.638 8.874 1.00 0.00 H new ATOM 0 HA LYS S 27 34.962 1.665 10.733 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.571 1.918 7.896 1.00 0.00 H new ATOM 0 HB3 LYS S 27 36.163 2.597 8.167 1.00 0.00 H new ATOM 0 HG2 LYS S 27 37.010 0.547 9.090 1.00 0.00 H new ATOM 0 HG3 LYS S 27 35.403 -0.103 9.347 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.228 -0.834 7.168 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.835 0.678 6.523 1.00 0.00 H new ATOM 0 HE2 LYS S 27 37.315 -1.385 6.137 1.00 0.00 H new ATOM 0 HE3 LYS S 27 38.116 0.025 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.499 -2.266 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 38.261 -0.920 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 36.990 -2.013 8.621 1.00 0.00 H new ATOM 2095 N ASN S 28 36.157 4.487 9.587 1.00 0.00 N ATOM 2096 CA ASN S 28 37.091 5.601 9.933 1.00 0.00 C ATOM 2097 C ASN S 28 36.885 6.155 11.351 1.00 0.00 C ATOM 2098 O ASN S 28 37.831 6.312 12.096 1.00 0.00 O ATOM 2099 CB ASN S 28 36.849 6.736 8.934 1.00 0.00 C ATOM 2100 CG ASN S 28 37.330 6.302 7.547 1.00 0.00 C ATOM 2101 OD1 ASN S 28 37.668 7.116 6.714 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.369 5.032 7.259 1.00 0.00 N ATOM 0 H ASN S 28 35.724 4.560 8.666 1.00 0.00 H new ATOM 0 HA ASN S 28 38.106 5.207 9.890 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.789 6.987 8.902 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.380 7.634 9.251 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.682 4.727 6.337 1.00 0.00 H new ATOM 0 HD22 ASN S 28 37.086 4.342 7.955 1.00 0.00 H new ATOM 2109 N ALA S 29 35.660 6.436 11.696 1.00 0.00 N ATOM 2110 CA ALA S 29 35.383 6.982 13.055 1.00 0.00 C ATOM 2111 C ALA S 29 35.405 5.893 14.110 1.00 0.00 C ATOM 2112 O ALA S 29 35.806 6.122 15.233 1.00 0.00 O ATOM 2113 CB ALA S 29 33.972 7.577 13.050 1.00 0.00 C ATOM 0 H ALA S 29 34.842 6.312 11.100 1.00 0.00 H new ATOM 0 HA ALA S 29 36.149 7.721 13.288 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.745 7.984 14.035 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.915 8.373 12.307 1.00 0.00 H new ATOM 0 HB3 ALA S 29 33.250 6.799 12.804 1.00 0.00 H new ATOM 2119 N TYR S 30 34.987 4.729 13.732 1.00 0.00 N ATOM 2120 CA TYR S 30 34.976 3.627 14.710 1.00 0.00 C ATOM 2121 C TYR S 30 36.306 3.489 15.423 1.00 0.00 C ATOM 2122 O TYR S 30 36.465 4.113 16.453 1.00 0.00 O ATOM 2123 CB TYR S 30 34.633 2.308 13.997 1.00 0.00 C ATOM 2124 CG TYR S 30 33.234 1.858 14.428 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.946 1.647 15.763 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.246 1.641 13.491 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.693 1.229 16.152 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.990 1.224 13.882 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.705 1.016 15.215 1.00 0.00 C ATOM 2130 OH TYR S 30 29.446 0.616 15.606 1.00 0.00 O ATOM 0 H TYR S 30 34.655 4.495 12.796 1.00 0.00 H new ATOM 0 HA TYR S 30 34.219 3.856 15.460 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.668 2.444 12.916 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.368 1.543 14.246 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.711 1.811 16.508 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.457 1.799 12.444 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.483 1.067 17.199 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.224 1.059 13.138 1.00 0.00 H new ATOM 0 HH TYR S 30 28.782 0.957 14.971 1.00 0.00 H new ATOM 2140 N GLN S 31 37.250 2.804 14.777 1.00 0.00 N ATOM 2141 CA GLN S 31 38.624 2.576 15.372 1.00 0.00 C ATOM 2142 C GLN S 31 38.890 3.549 16.500 1.00 0.00 C ATOM 2143 O GLN S 31 39.047 3.165 17.642 1.00 0.00 O ATOM 2144 CB GLN S 31 39.676 2.777 14.273 1.00 0.00 C ATOM 2145 CG GLN S 31 40.939 1.995 14.640 1.00 0.00 C ATOM 2146 CD GLN S 31 41.970 2.113 13.511 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.784 3.015 13.492 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.971 1.223 12.556 1.00 0.00 N ATOM 0 H GLN S 31 37.120 2.391 13.853 1.00 0.00 H new ATOM 0 HA GLN S 31 38.674 1.563 15.771 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.288 2.435 13.314 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.908 3.836 14.164 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.359 2.380 15.570 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.692 0.947 14.811 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.290 0.463 12.566 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.652 1.287 11.800 1.00 0.00 H new ATOM 2157 N ASN S 32 38.946 4.782 16.140 1.00 0.00 N ATOM 2158 CA ASN S 32 39.183 5.863 17.101 1.00 0.00 C ATOM 2159 C ASN S 32 37.942 6.020 17.946 1.00 0.00 C ATOM 2160 O ASN S 32 37.700 7.094 18.449 1.00 0.00 O ATOM 2161 CB ASN S 32 39.382 7.161 16.366 1.00 0.00 C ATOM 2162 CG ASN S 32 40.450 6.989 15.282 1.00 0.00 C ATOM 2163 OD1 ASN S 32 40.147 6.810 14.115 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.707 7.038 15.625 1.00 0.00 N ATOM 0 H ASN S 32 38.832 5.096 15.176 1.00 0.00 H new ATOM 0 HA ASN S 32 40.060 5.627 17.703 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.443 7.481 15.915 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.683 7.942 17.064 1.00 0.00 H new ATOM 0 HD21 ASN S 32 42.433 6.927 14.918 1.00 0.00 H new ATOM 0 HD22 ASN S 32 41.964 7.188 16.601 1.00 0.00 H new ATOM 2171 N ASP S 33 37.267 4.914 18.184 1.00 0.00 N ATOM 2172 CA ASP S 33 36.004 4.902 18.979 1.00 0.00 C ATOM 2173 C ASP S 33 35.346 6.271 19.090 1.00 0.00 C ATOM 2174 O ASP S 33 34.625 6.563 20.023 1.00 0.00 O ATOM 2175 CB ASP S 33 36.451 4.513 20.367 1.00 0.00 C ATOM 2176 CG ASP S 33 35.535 3.428 20.942 1.00 0.00 C ATOM 2177 OD1 ASP S 33 35.488 2.375 20.327 1.00 0.00 O ATOM 2178 OD2 ASP S 33 34.927 3.716 21.959 1.00 0.00 O ATOM 0 H ASP S 33 37.554 3.995 17.847 1.00 0.00 H new ATOM 0 HA ASP S 33 35.278 4.239 18.509 1.00 0.00 H new ATOM 0 HB2 ASP S 33 37.479 4.151 20.336 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.441 5.388 21.017 1.00 0.00 H new ATOM 2183 N LEU S 34 35.614 7.073 18.097 1.00 0.00 N ATOM 2184 CA LEU S 34 35.050 8.441 18.061 1.00 0.00 C ATOM 2185 C LEU S 34 33.652 8.399 17.448 1.00 0.00 C ATOM 2186 O LEU S 34 33.076 9.423 17.138 1.00 0.00 O ATOM 2187 CB LEU S 34 35.921 9.277 17.126 1.00 0.00 C ATOM 2188 CG LEU S 34 36.998 10.050 17.908 1.00 0.00 C ATOM 2189 CD1 LEU S 34 38.064 10.541 16.914 1.00 0.00 C ATOM 2190 CD2 LEU S 34 36.383 11.277 18.605 1.00 0.00 C ATOM 0 H LEU S 34 36.207 6.831 17.303 1.00 0.00 H new ATOM 0 HA LEU S 34 35.013 8.853 19.069 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.397 8.628 16.392 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.296 9.978 16.573 1.00 0.00 H new ATOM 0 HG LEU S 34 37.433 9.392 18.660 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.836 11.092 17.451 1.00 0.00 H new ATOM 0 HD12 LEU S 34 38.513 9.685 16.410 1.00 0.00 H new ATOM 0 HD13 LEU S 34 37.599 11.195 16.176 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.159 11.811 19.153 1.00 0.00 H new ATOM 0 HD22 LEU S 34 35.946 11.939 17.858 1.00 0.00 H new ATOM 0 HD23 LEU S 34 35.608 10.951 19.299 1.00 0.00 H new ATOM 2202 N HIS S 35 33.157 7.209 17.265 1.00 0.00 N ATOM 2203 CA HIS S 35 31.799 7.048 16.668 1.00 0.00 C ATOM 2204 C HIS S 35 30.643 7.252 17.651 1.00 0.00 C ATOM 2205 O HIS S 35 29.537 7.495 17.235 1.00 0.00 O ATOM 2206 CB HIS S 35 31.702 5.611 16.177 1.00 0.00 C ATOM 2207 CG HIS S 35 31.762 4.689 17.397 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.758 4.577 18.176 1.00 0.00 N ATOM 2209 CD2 HIS S 35 30.813 3.831 17.912 1.00 0.00 C ATOM 2210 CE1 HIS S 35 32.507 3.737 19.106 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.294 3.221 19.006 1.00 0.00 N ATOM 0 H HIS S 35 33.632 6.338 17.502 1.00 0.00 H new ATOM 0 HA HIS S 35 31.700 7.807 15.892 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.772 5.458 15.629 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.518 5.387 15.490 1.00 0.00 H new ATOM 0 HD2 HIS S 35 29.829 3.673 17.496 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.207 3.478 19.886 1.00 0.00 H new ATOM 0 HE2 HIS S 35 30.839 2.534 19.607 1.00 0.00 H new ATOM 2219 N LEU S 36 30.899 7.151 18.922 1.00 0.00 N ATOM 2220 CA LEU S 36 29.777 7.340 19.892 1.00 0.00 C ATOM 2221 C LEU S 36 28.896 8.565 19.598 1.00 0.00 C ATOM 2222 O LEU S 36 27.692 8.438 19.538 1.00 0.00 O ATOM 2223 CB LEU S 36 30.332 7.451 21.318 1.00 0.00 C ATOM 2224 CG LEU S 36 29.930 6.198 22.114 1.00 0.00 C ATOM 2225 CD1 LEU S 36 30.743 6.140 23.406 1.00 0.00 C ATOM 2226 CD2 LEU S 36 28.438 6.258 22.471 1.00 0.00 C ATOM 0 H LEU S 36 31.812 6.951 19.330 1.00 0.00 H new ATOM 0 HA LEU S 36 29.140 6.462 19.786 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.417 7.548 21.292 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.943 8.346 21.804 1.00 0.00 H new ATOM 0 HG LEU S 36 30.123 5.314 21.506 1.00 0.00 H new ATOM 0 HD11 LEU S 36 30.461 5.253 23.974 1.00 0.00 H new ATOM 0 HD12 LEU S 36 31.805 6.095 23.166 1.00 0.00 H new ATOM 0 HD13 LEU S 36 30.543 7.031 24.002 1.00 0.00 H new ATOM 0 HD21 LEU S 36 28.163 5.367 23.035 1.00 0.00 H new ATOM 0 HD22 LEU S 36 28.244 7.144 23.076 1.00 0.00 H new ATOM 0 HD23 LEU S 36 27.847 6.306 21.557 1.00 0.00 H new ATOM 2238 N PRO S 37 29.481 9.734 19.438 1.00 0.00 N ATOM 2239 CA PRO S 37 28.681 10.935 19.156 1.00 0.00 C ATOM 2240 C PRO S 37 27.809 10.763 17.911 1.00 0.00 C ATOM 2241 O PRO S 37 26.598 10.749 18.002 1.00 0.00 O ATOM 2242 CB PRO S 37 29.707 12.047 18.922 1.00 0.00 C ATOM 2243 CG PRO S 37 31.112 11.462 19.209 1.00 0.00 C ATOM 2244 CD PRO S 37 30.937 9.970 19.534 1.00 0.00 C ATOM 0 HA PRO S 37 27.998 11.150 19.978 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.647 12.412 17.897 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.506 12.896 19.575 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.764 11.592 18.346 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.581 11.983 20.044 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.487 9.344 18.831 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.312 9.735 20.530 1.00 0.00 H new ATOM 2252 N LEU S 38 28.432 10.641 16.768 1.00 0.00 N ATOM 2253 CA LEU S 38 27.632 10.472 15.529 1.00 0.00 C ATOM 2254 C LEU S 38 26.712 9.266 15.665 1.00 0.00 C ATOM 2255 O LEU S 38 25.584 9.292 15.223 1.00 0.00 O ATOM 2256 CB LEU S 38 28.598 10.326 14.333 1.00 0.00 C ATOM 2257 CG LEU S 38 28.740 8.866 13.872 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.500 8.430 13.077 1.00 0.00 C ATOM 2259 CD2 LEU S 38 29.956 8.778 12.957 1.00 0.00 C ATOM 0 H LEU S 38 29.444 10.651 16.643 1.00 0.00 H new ATOM 0 HA LEU S 38 27.000 11.344 15.360 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.239 10.934 13.502 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.578 10.714 14.611 1.00 0.00 H new ATOM 0 HG LEU S 38 28.848 8.219 14.742 1.00 0.00 H new ATOM 0 HD11 LEU S 38 27.618 7.394 12.759 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.615 8.518 13.707 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.387 9.068 12.201 1.00 0.00 H new ATOM 0 HD21 LEU S 38 30.080 7.751 12.615 1.00 0.00 H new ATOM 0 HD22 LEU S 38 29.812 9.432 12.097 1.00 0.00 H new ATOM 0 HD23 LEU S 38 30.846 9.088 13.504 1.00 0.00 H new ATOM 2271 N LEU S 39 27.206 8.230 16.273 1.00 0.00 N ATOM 2272 CA LEU S 39 26.343 7.023 16.436 1.00 0.00 C ATOM 2273 C LEU S 39 25.032 7.432 17.102 1.00 0.00 C ATOM 2274 O LEU S 39 23.971 6.947 16.760 1.00 0.00 O ATOM 2275 CB LEU S 39 27.064 6.004 17.337 1.00 0.00 C ATOM 2276 CG LEU S 39 26.123 4.837 17.682 1.00 0.00 C ATOM 2277 CD1 LEU S 39 25.542 4.238 16.401 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.925 3.757 18.408 1.00 0.00 C ATOM 0 H LEU S 39 28.148 8.161 16.658 1.00 0.00 H new ATOM 0 HA LEU S 39 26.143 6.580 15.461 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.953 5.626 16.832 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.401 6.491 18.252 1.00 0.00 H new ATOM 0 HG LEU S 39 25.312 5.201 18.312 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.877 3.412 16.654 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.982 5.003 15.863 1.00 0.00 H new ATOM 0 HD13 LEU S 39 26.352 3.871 15.771 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.269 2.923 18.658 1.00 0.00 H new ATOM 0 HD22 LEU S 39 27.729 3.405 17.762 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.350 4.172 19.322 1.00 0.00 H new ATOM 2290 N ASN S 40 25.140 8.328 18.047 1.00 0.00 N ATOM 2291 CA ASN S 40 23.925 8.794 18.758 1.00 0.00 C ATOM 2292 C ASN S 40 23.064 9.669 17.849 1.00 0.00 C ATOM 2293 O ASN S 40 21.888 9.843 18.092 1.00 0.00 O ATOM 2294 CB ASN S 40 24.358 9.617 19.974 1.00 0.00 C ATOM 2295 CG ASN S 40 23.812 8.963 21.246 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.222 9.612 22.088 1.00 0.00 O ATOM 2297 ND2 ASN S 40 23.989 7.682 21.425 1.00 0.00 N ATOM 0 H ASN S 40 26.015 8.753 18.353 1.00 0.00 H new ATOM 0 HA ASN S 40 23.339 7.927 19.063 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.445 9.676 20.019 1.00 0.00 H new ATOM 0 HB3 ASN S 40 23.987 10.638 19.888 1.00 0.00 H new ATOM 0 HD21 ASN S 40 23.633 7.231 22.268 1.00 0.00 H new ATOM 0 HD22 ASN S 40 24.483 7.132 20.722 1.00 0.00 H new ATOM 2304 N LEU S 41 23.661 10.211 16.819 1.00 0.00 N ATOM 2305 CA LEU S 41 22.865 11.069 15.905 1.00 0.00 C ATOM 2306 C LEU S 41 21.618 10.309 15.472 1.00 0.00 C ATOM 2307 O LEU S 41 20.507 10.748 15.689 1.00 0.00 O ATOM 2308 CB LEU S 41 23.724 11.396 14.666 1.00 0.00 C ATOM 2309 CG LEU S 41 22.984 12.358 13.730 1.00 0.00 C ATOM 2310 CD1 LEU S 41 22.579 13.629 14.482 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.930 12.736 12.589 1.00 0.00 C ATOM 0 H LEU S 41 24.646 10.098 16.578 1.00 0.00 H new ATOM 0 HA LEU S 41 22.573 11.991 16.408 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.668 11.841 14.980 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.966 10.477 14.133 1.00 0.00 H new ATOM 0 HG LEU S 41 22.085 11.875 13.348 1.00 0.00 H new ATOM 0 HD11 LEU S 41 22.055 14.302 13.803 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.923 13.367 15.312 1.00 0.00 H new ATOM 0 HD13 LEU S 41 23.471 14.124 14.866 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.424 13.421 11.909 1.00 0.00 H new ATOM 0 HD22 LEU S 41 24.818 13.219 12.997 1.00 0.00 H new ATOM 0 HD23 LEU S 41 24.223 11.837 12.047 1.00 0.00 H new ATOM 2323 N MET S 42 21.832 9.172 14.870 1.00 0.00 N ATOM 2324 CA MET S 42 20.679 8.359 14.415 1.00 0.00 C ATOM 2325 C MET S 42 20.214 7.441 15.547 1.00 0.00 C ATOM 2326 O MET S 42 19.940 6.278 15.337 1.00 0.00 O ATOM 2327 CB MET S 42 21.131 7.505 13.219 1.00 0.00 C ATOM 2328 CG MET S 42 21.035 8.342 11.940 1.00 0.00 C ATOM 2329 SD MET S 42 19.395 8.536 11.198 1.00 0.00 S ATOM 2330 CE MET S 42 19.473 10.325 10.929 1.00 0.00 C ATOM 0 H MET S 42 22.752 8.776 14.676 1.00 0.00 H new ATOM 0 HA MET S 42 19.855 9.011 14.126 1.00 0.00 H new ATOM 0 HB2 MET S 42 22.155 7.162 13.368 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.506 6.616 13.134 1.00 0.00 H new ATOM 0 HG2 MET S 42 21.427 9.336 12.157 1.00 0.00 H new ATOM 0 HG3 MET S 42 21.692 7.895 11.194 1.00 0.00 H new ATOM 0 HE1 MET S 42 18.493 10.690 10.621 1.00 0.00 H new ATOM 0 HE2 MET S 42 19.770 10.819 11.854 1.00 0.00 H new ATOM 0 HE3 MET S 42 20.203 10.544 10.150 1.00 0.00 H new ATOM 2340 N LEU S 43 20.152 7.994 16.735 1.00 0.00 N ATOM 2341 CA LEU S 43 19.713 7.196 17.909 1.00 0.00 C ATOM 2342 C LEU S 43 18.589 6.239 17.533 1.00 0.00 C ATOM 2343 O LEU S 43 18.697 5.049 17.744 1.00 0.00 O ATOM 2344 CB LEU S 43 19.186 8.176 18.968 1.00 0.00 C ATOM 2345 CG LEU S 43 19.988 8.035 20.266 1.00 0.00 C ATOM 2346 CD1 LEU S 43 19.676 9.228 21.176 1.00 0.00 C ATOM 2347 CD2 LEU S 43 19.582 6.738 20.976 1.00 0.00 C ATOM 0 H LEU S 43 20.388 8.966 16.936 1.00 0.00 H new ATOM 0 HA LEU S 43 20.554 6.611 18.281 1.00 0.00 H new ATOM 0 HB2 LEU S 43 19.259 9.198 18.596 1.00 0.00 H new ATOM 0 HB3 LEU S 43 18.131 7.981 19.161 1.00 0.00 H new ATOM 0 HG LEU S 43 21.054 8.009 20.041 1.00 0.00 H new ATOM 0 HD11 LEU S 43 20.242 9.137 22.103 1.00 0.00 H new ATOM 0 HD12 LEU S 43 19.953 10.153 20.671 1.00 0.00 H new ATOM 0 HD13 LEU S 43 18.610 9.244 21.402 1.00 0.00 H new ATOM 0 HD21 LEU S 43 20.151 6.635 21.900 1.00 0.00 H new ATOM 0 HD22 LEU S 43 18.517 6.768 21.207 1.00 0.00 H new ATOM 0 HD23 LEU S 43 19.788 5.888 20.326 1.00 0.00 H new ATOM 2359 N THR S 44 17.544 6.783 16.965 1.00 0.00 N ATOM 2360 CA THR S 44 16.390 5.938 16.557 1.00 0.00 C ATOM 2361 C THR S 44 16.100 4.854 17.618 1.00 0.00 C ATOM 2362 O THR S 44 16.738 3.821 17.617 1.00 0.00 O ATOM 2363 CB THR S 44 16.767 5.250 15.242 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.108 6.301 14.359 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.545 4.587 14.594 1.00 0.00 C ATOM 0 H THR S 44 17.443 7.778 16.767 1.00 0.00 H new ATOM 0 HA THR S 44 15.501 6.559 16.448 1.00 0.00 H new ATOM 0 HB THR S 44 17.547 4.511 15.425 1.00 0.00 H new ATOM 0 HG1 THR S 44 18.069 6.482 14.422 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.843 4.107 13.662 1.00 0.00 H new ATOM 0 HG22 THR S 44 15.134 3.839 15.272 1.00 0.00 H new ATOM 0 HG23 THR S 44 14.788 5.343 14.386 1.00 0.00 H new ATOM 2373 N PRO S 45 15.136 5.076 18.501 1.00 0.00 N ATOM 2374 CA PRO S 45 14.827 4.073 19.534 1.00 0.00 C ATOM 2375 C PRO S 45 14.583 2.693 18.924 1.00 0.00 C ATOM 2376 O PRO S 45 14.996 1.693 19.476 1.00 0.00 O ATOM 2377 CB PRO S 45 13.558 4.596 20.225 1.00 0.00 C ATOM 2378 CG PRO S 45 13.337 6.050 19.739 1.00 0.00 C ATOM 2379 CD PRO S 45 14.262 6.274 18.532 1.00 0.00 C ATOM 0 HA PRO S 45 15.656 3.946 20.230 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.699 3.972 19.976 1.00 0.00 H new ATOM 0 HB3 PRO S 45 13.670 4.566 21.309 1.00 0.00 H new ATOM 0 HG2 PRO S 45 12.295 6.208 19.459 1.00 0.00 H new ATOM 0 HG3 PRO S 45 13.564 6.760 20.534 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.691 6.372 17.608 1.00 0.00 H new ATOM 0 HD3 PRO S 45 14.846 7.188 18.644 1.00 0.00 H new ATOM 2387 N ASP S 46 13.917 2.658 17.800 1.00 0.00 N ATOM 2388 CA ASP S 46 13.657 1.340 17.166 1.00 0.00 C ATOM 2389 C ASP S 46 14.977 0.625 16.890 1.00 0.00 C ATOM 2390 O ASP S 46 15.021 -0.582 16.751 1.00 0.00 O ATOM 2391 CB ASP S 46 12.929 1.563 15.831 1.00 0.00 C ATOM 2392 CG ASP S 46 12.594 3.045 15.660 1.00 0.00 C ATOM 2393 OD1 ASP S 46 11.966 3.567 16.567 1.00 0.00 O ATOM 2394 OD2 ASP S 46 12.983 3.572 14.632 1.00 0.00 O ATOM 0 H ASP S 46 13.549 3.470 17.304 1.00 0.00 H new ATOM 0 HA ASP S 46 13.048 0.733 17.836 1.00 0.00 H new ATOM 0 HB2 ASP S 46 13.555 1.225 15.005 1.00 0.00 H new ATOM 0 HB3 ASP S 46 12.015 0.969 15.802 1.00 0.00 H new ATOM 2399 N GLU S 47 16.029 1.394 16.815 1.00 0.00 N ATOM 2400 CA GLU S 47 17.367 0.802 16.550 1.00 0.00 C ATOM 2401 C GLU S 47 18.091 0.508 17.860 1.00 0.00 C ATOM 2402 O GLU S 47 18.810 -0.465 17.974 1.00 0.00 O ATOM 2403 CB GLU S 47 18.189 1.833 15.765 1.00 0.00 C ATOM 2404 CG GLU S 47 19.499 1.202 15.291 1.00 0.00 C ATOM 2405 CD GLU S 47 19.199 0.088 14.283 1.00 0.00 C ATOM 2406 OE1 GLU S 47 19.130 0.421 13.112 1.00 0.00 O ATOM 2407 OE2 GLU S 47 19.055 -1.034 14.743 1.00 0.00 O ATOM 0 H GLU S 47 16.018 2.408 16.926 1.00 0.00 H new ATOM 0 HA GLU S 47 17.250 -0.128 15.993 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.617 2.191 14.909 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.399 2.699 16.393 1.00 0.00 H new ATOM 0 HG2 GLU S 47 20.134 1.960 14.832 1.00 0.00 H new ATOM 0 HG3 GLU S 47 20.048 0.798 16.141 1.00 0.00 H new ATOM 2414 N ARG S 48 17.882 1.361 18.823 1.00 0.00 N ATOM 2415 CA ARG S 48 18.540 1.168 20.142 1.00 0.00 C ATOM 2416 C ARG S 48 18.155 -0.172 20.769 1.00 0.00 C ATOM 2417 O ARG S 48 19.005 -0.977 21.091 1.00 0.00 O ATOM 2418 CB ARG S 48 18.075 2.297 21.067 1.00 0.00 C ATOM 2419 CG ARG S 48 19.015 2.387 22.268 1.00 0.00 C ATOM 2420 CD ARG S 48 18.375 3.276 23.334 1.00 0.00 C ATOM 2421 NE ARG S 48 17.122 2.629 23.815 1.00 0.00 N ATOM 2422 CZ ARG S 48 17.027 2.273 25.066 1.00 0.00 C ATOM 2423 NH1 ARG S 48 17.902 1.436 25.553 1.00 0.00 N ATOM 2424 NH2 ARG S 48 16.060 2.767 25.790 1.00 0.00 N ATOM 0 H ARG S 48 17.283 2.184 18.752 1.00 0.00 H new ATOM 0 HA ARG S 48 19.621 1.179 20.005 1.00 0.00 H new ATOM 0 HB2 ARG S 48 18.065 3.244 20.527 1.00 0.00 H new ATOM 0 HB3 ARG S 48 17.055 2.111 21.403 1.00 0.00 H new ATOM 0 HG2 ARG S 48 19.206 1.393 22.672 1.00 0.00 H new ATOM 0 HG3 ARG S 48 19.977 2.798 21.963 1.00 0.00 H new ATOM 0 HD2 ARG S 48 19.065 3.425 24.165 1.00 0.00 H new ATOM 0 HD3 ARG S 48 18.156 4.261 22.921 1.00 0.00 H new ATOM 0 HE ARG S 48 16.347 2.466 23.173 1.00 0.00 H new ATOM 0 HH11 ARG S 48 18.645 1.071 24.957 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.843 1.147 26.529 1.00 0.00 H new ATOM 0 HH21 ARG S 48 15.395 3.420 25.375 1.00 0.00 H new ATOM 0 HH22 ARG S 48 15.969 2.500 26.770 1.00 0.00 H new ATOM 2438 N GLU S 49 16.878 -0.381 20.932 1.00 0.00 N ATOM 2439 CA GLU S 49 16.418 -1.658 21.539 1.00 0.00 C ATOM 2440 C GLU S 49 16.696 -2.844 20.614 1.00 0.00 C ATOM 2441 O GLU S 49 16.809 -3.967 21.063 1.00 0.00 O ATOM 2442 CB GLU S 49 14.905 -1.556 21.770 1.00 0.00 C ATOM 2443 CG GLU S 49 14.588 -0.192 22.389 1.00 0.00 C ATOM 2444 CD GLU S 49 13.425 -0.336 23.372 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.670 -0.905 24.423 1.00 0.00 O ATOM 2446 OE2 GLU S 49 12.356 0.133 23.018 1.00 0.00 O ATOM 0 H GLU S 49 16.139 0.273 20.673 1.00 0.00 H new ATOM 0 HA GLU S 49 16.955 -1.821 22.474 1.00 0.00 H new ATOM 0 HB2 GLU S 49 14.371 -1.675 20.827 1.00 0.00 H new ATOM 0 HB3 GLU S 49 14.570 -2.356 22.430 1.00 0.00 H new ATOM 0 HG2 GLU S 49 15.466 0.199 22.903 1.00 0.00 H new ATOM 0 HG3 GLU S 49 14.331 0.523 21.607 1.00 0.00 H new ATOM 2453 N ALA S 50 16.808 -2.573 19.342 1.00 0.00 N ATOM 2454 CA ALA S 50 17.078 -3.682 18.385 1.00 0.00 C ATOM 2455 C ALA S 50 18.578 -3.923 18.217 1.00 0.00 C ATOM 2456 O ALA S 50 18.994 -4.997 17.833 1.00 0.00 O ATOM 2457 CB ALA S 50 16.484 -3.300 17.024 1.00 0.00 C ATOM 0 H ALA S 50 16.725 -1.644 18.929 1.00 0.00 H new ATOM 0 HA ALA S 50 16.627 -4.595 18.773 1.00 0.00 H new ATOM 0 HB1 ALA S 50 16.671 -4.100 16.308 1.00 0.00 H new ATOM 0 HB2 ALA S 50 15.409 -3.148 17.126 1.00 0.00 H new ATOM 0 HB3 ALA S 50 16.949 -2.380 16.670 1.00 0.00 H new ATOM 2463 N LEU S 51 19.364 -2.922 18.506 1.00 0.00 N ATOM 2464 CA LEU S 51 20.834 -3.095 18.361 1.00 0.00 C ATOM 2465 C LEU S 51 21.313 -4.335 19.108 1.00 0.00 C ATOM 2466 O LEU S 51 21.875 -5.241 18.523 1.00 0.00 O ATOM 2467 CB LEU S 51 21.531 -1.870 18.965 1.00 0.00 C ATOM 2468 CG LEU S 51 23.046 -2.031 18.807 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.631 -0.716 18.297 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.672 -2.363 20.162 1.00 0.00 C ATOM 0 H LEU S 51 19.057 -2.005 18.831 1.00 0.00 H new ATOM 0 HA LEU S 51 21.071 -3.205 17.303 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.195 -0.961 18.466 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.271 -1.770 20.019 1.00 0.00 H new ATOM 0 HG LEU S 51 23.257 -2.836 18.103 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.710 -0.819 18.181 1.00 0.00 H new ATOM 0 HD12 LEU S 51 23.184 -0.468 17.334 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.417 0.079 19.012 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.750 -2.477 20.047 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.466 -1.556 20.866 1.00 0.00 H new ATOM 0 HD23 LEU S 51 23.247 -3.293 20.541 1.00 0.00 H new ATOM 2482 N GLY S 52 21.075 -4.352 20.388 1.00 0.00 N ATOM 2483 CA GLY S 52 21.507 -5.520 21.197 1.00 0.00 C ATOM 2484 C GLY S 52 20.858 -6.811 20.684 1.00 0.00 C ATOM 2485 O GLY S 52 21.528 -7.798 20.460 1.00 0.00 O ATOM 0 H GLY S 52 20.602 -3.611 20.906 1.00 0.00 H new ATOM 0 HA2 GLY S 52 22.592 -5.613 21.158 1.00 0.00 H new ATOM 0 HA3 GLY S 52 21.238 -5.363 22.242 1.00 0.00 H new ATOM 2489 N THR S 53 19.566 -6.769 20.494 1.00 0.00 N ATOM 2490 CA THR S 53 18.848 -7.977 19.998 1.00 0.00 C ATOM 2491 C THR S 53 19.386 -8.450 18.646 1.00 0.00 C ATOM 2492 O THR S 53 19.083 -9.542 18.208 1.00 0.00 O ATOM 2493 CB THR S 53 17.369 -7.614 19.835 1.00 0.00 C ATOM 2494 OG1 THR S 53 17.113 -6.638 20.828 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.467 -8.796 20.214 1.00 0.00 C ATOM 0 H THR S 53 18.979 -5.952 20.661 1.00 0.00 H new ATOM 0 HA THR S 53 18.993 -8.784 20.716 1.00 0.00 H new ATOM 0 HB THR S 53 17.177 -7.304 18.808 1.00 0.00 H new ATOM 0 HG1 THR S 53 17.076 -5.751 20.413 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.422 -8.511 20.089 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.691 -9.646 19.569 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.646 -9.072 21.253 1.00 0.00 H new ATOM 2503 N ARG S 54 20.173 -7.628 18.006 1.00 0.00 N ATOM 2504 CA ARG S 54 20.726 -8.035 16.685 1.00 0.00 C ATOM 2505 C ARG S 54 22.068 -8.747 16.831 1.00 0.00 C ATOM 2506 O ARG S 54 22.192 -9.902 16.483 1.00 0.00 O ATOM 2507 CB ARG S 54 20.919 -6.774 15.832 1.00 0.00 C ATOM 2508 CG ARG S 54 20.875 -7.157 14.350 1.00 0.00 C ATOM 2509 CD ARG S 54 19.417 -7.296 13.895 1.00 0.00 C ATOM 2510 NE ARG S 54 19.016 -6.064 13.159 1.00 0.00 N ATOM 2511 CZ ARG S 54 17.950 -6.089 12.406 1.00 0.00 C ATOM 2512 NH1 ARG S 54 17.967 -6.804 11.314 1.00 0.00 N ATOM 2513 NH2 ARG S 54 16.903 -5.400 12.768 1.00 0.00 N ATOM 0 H ARG S 54 20.453 -6.704 18.336 1.00 0.00 H new ATOM 0 HA ARG S 54 20.028 -8.727 16.214 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.139 -6.047 16.055 1.00 0.00 H new ATOM 0 HB3 ARG S 54 21.872 -6.302 16.070 1.00 0.00 H new ATOM 0 HG2 ARG S 54 21.382 -6.398 13.753 1.00 0.00 H new ATOM 0 HG3 ARG S 54 21.407 -8.095 14.191 1.00 0.00 H new ATOM 0 HD2 ARG S 54 19.305 -8.170 13.254 1.00 0.00 H new ATOM 0 HD3 ARG S 54 18.767 -7.447 14.757 1.00 0.00 H new ATOM 0 HE ARG S 54 19.568 -5.211 13.243 1.00 0.00 H new ATOM 0 HH11 ARG S 54 18.804 -7.331 11.062 1.00 0.00 H new ATOM 0 HH12 ARG S 54 17.144 -6.836 10.713 1.00 0.00 H new ATOM 0 HH21 ARG S 54 16.925 -4.852 13.628 1.00 0.00 H new ATOM 0 HH22 ARG S 54 16.062 -5.409 12.191 1.00 0.00 H new ATOM 2527 N VAL S 55 23.051 -8.057 17.328 1.00 0.00 N ATOM 2528 CA VAL S 55 24.368 -8.725 17.481 1.00 0.00 C ATOM 2529 C VAL S 55 24.206 -9.999 18.316 1.00 0.00 C ATOM 2530 O VAL S 55 25.050 -10.884 18.303 1.00 0.00 O ATOM 2531 CB VAL S 55 25.335 -7.765 18.184 1.00 0.00 C ATOM 2532 CG1 VAL S 55 26.723 -7.918 17.554 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.853 -6.323 17.986 1.00 0.00 C ATOM 0 H VAL S 55 23.004 -7.083 17.628 1.00 0.00 H new ATOM 0 HA VAL S 55 24.762 -8.991 16.500 1.00 0.00 H new ATOM 0 HB VAL S 55 25.377 -7.994 19.249 1.00 0.00 H new ATOM 0 HG11 VAL S 55 27.422 -7.241 18.045 1.00 0.00 H new ATOM 0 HG12 VAL S 55 27.067 -8.945 17.676 1.00 0.00 H new ATOM 0 HG13 VAL S 55 26.669 -7.677 16.492 1.00 0.00 H new ATOM 0 HG21 VAL S 55 25.539 -5.638 18.485 1.00 0.00 H new ATOM 0 HG22 VAL S 55 24.821 -6.093 16.921 1.00 0.00 H new ATOM 0 HG23 VAL S 55 23.856 -6.211 18.411 1.00 0.00 H new ATOM 2543 N ARG S 56 23.103 -10.074 19.018 1.00 0.00 N ATOM 2544 CA ARG S 56 22.849 -11.271 19.861 1.00 0.00 C ATOM 2545 C ARG S 56 22.699 -12.527 19.009 1.00 0.00 C ATOM 2546 O ARG S 56 23.446 -13.470 19.177 1.00 0.00 O ATOM 2547 CB ARG S 56 21.550 -11.061 20.648 1.00 0.00 C ATOM 2548 CG ARG S 56 21.493 -12.072 21.795 1.00 0.00 C ATOM 2549 CD ARG S 56 20.037 -12.268 22.225 1.00 0.00 C ATOM 2550 NE ARG S 56 20.002 -13.153 23.423 1.00 0.00 N ATOM 2551 CZ ARG S 56 20.138 -12.627 24.610 1.00 0.00 C ATOM 2552 NH1 ARG S 56 19.400 -11.602 24.933 1.00 0.00 N ATOM 2553 NH2 ARG S 56 21.006 -13.149 25.435 1.00 0.00 N ATOM 0 H ARG S 56 22.374 -9.360 19.041 1.00 0.00 H new ATOM 0 HA ARG S 56 23.698 -11.401 20.532 1.00 0.00 H new ATOM 0 HB2 ARG S 56 21.507 -10.045 21.040 1.00 0.00 H new ATOM 0 HB3 ARG S 56 20.688 -11.186 19.992 1.00 0.00 H new ATOM 0 HG2 ARG S 56 21.922 -13.023 21.479 1.00 0.00 H new ATOM 0 HG3 ARG S 56 22.088 -11.718 22.637 1.00 0.00 H new ATOM 0 HD2 ARG S 56 19.579 -11.306 22.454 1.00 0.00 H new ATOM 0 HD3 ARG S 56 19.460 -12.710 21.413 1.00 0.00 H new ATOM 0 HE ARG S 56 19.873 -14.159 23.317 1.00 0.00 H new ATOM 0 HH11 ARG S 56 18.730 -11.224 24.263 1.00 0.00 H new ATOM 0 HH12 ARG S 56 19.492 -11.178 25.856 1.00 0.00 H new ATOM 0 HH21 ARG S 56 21.563 -13.954 25.147 1.00 0.00 H new ATOM 0 HH22 ARG S 56 21.127 -12.752 26.367 1.00 0.00 H new ATOM 2567 N ILE S 57 21.736 -12.523 18.112 1.00 0.00 N ATOM 2568 CA ILE S 57 21.539 -13.714 17.253 1.00 0.00 C ATOM 2569 C ILE S 57 22.886 -14.270 16.804 1.00 0.00 C ATOM 2570 O ILE S 57 23.118 -15.459 16.873 1.00 0.00 O ATOM 2571 CB ILE S 57 20.672 -13.319 16.053 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.512 -12.853 14.866 1.00 0.00 C ATOM 2573 CG2 ILE S 57 19.754 -12.165 16.476 1.00 0.00 C ATOM 2574 CD1 ILE S 57 20.567 -12.352 13.780 1.00 0.00 C ATOM 0 H ILE S 57 21.091 -11.751 17.947 1.00 0.00 H new ATOM 0 HA ILE S 57 21.032 -14.499 17.814 1.00 0.00 H new ATOM 0 HB ILE S 57 20.104 -14.197 15.744 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.194 -12.060 15.171 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.124 -13.672 14.489 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.129 -11.870 15.633 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.121 -12.488 17.302 1.00 0.00 H new ATOM 0 HG23 ILE S 57 20.359 -11.316 16.793 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.147 -12.014 12.921 1.00 0.00 H new ATOM 0 HD12 ILE S 57 19.903 -13.161 13.474 1.00 0.00 H new ATOM 0 HD13 ILE S 57 19.975 -11.523 14.167 1.00 0.00 H new ATOM 2586 N VAL S 58 23.750 -13.403 16.351 1.00 0.00 N ATOM 2587 CA VAL S 58 25.082 -13.886 15.904 1.00 0.00 C ATOM 2588 C VAL S 58 25.703 -14.753 16.996 1.00 0.00 C ATOM 2589 O VAL S 58 25.899 -15.949 16.823 1.00 0.00 O ATOM 2590 CB VAL S 58 25.982 -12.666 15.668 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.373 -13.135 15.240 1.00 0.00 C ATOM 2592 CG2 VAL S 58 25.378 -11.801 14.560 1.00 0.00 C ATOM 0 H VAL S 58 23.593 -12.398 16.273 1.00 0.00 H new ATOM 0 HA VAL S 58 24.979 -14.471 14.990 1.00 0.00 H new ATOM 0 HB VAL S 58 26.059 -12.086 16.588 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.013 -12.269 15.072 1.00 0.00 H new ATOM 0 HG12 VAL S 58 27.804 -13.758 16.024 1.00 0.00 H new ATOM 0 HG13 VAL S 58 27.295 -13.712 14.319 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.014 -10.933 14.389 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.305 -12.384 13.642 1.00 0.00 H new ATOM 0 HG23 VAL S 58 24.384 -11.469 14.859 1.00 0.00 H new ATOM 2602 N GLU S 59 25.981 -14.138 18.116 1.00 0.00 N ATOM 2603 CA GLU S 59 26.588 -14.903 19.236 1.00 0.00 C ATOM 2604 C GLU S 59 25.622 -15.945 19.804 1.00 0.00 C ATOM 2605 O GLU S 59 26.022 -16.812 20.555 1.00 0.00 O ATOM 2606 CB GLU S 59 26.953 -13.913 20.350 1.00 0.00 C ATOM 2607 CG GLU S 59 27.264 -14.691 21.631 1.00 0.00 C ATOM 2608 CD GLU S 59 28.074 -13.805 22.578 1.00 0.00 C ATOM 2609 OE1 GLU S 59 29.207 -13.525 22.222 1.00 0.00 O ATOM 2610 OE2 GLU S 59 27.515 -13.458 23.606 1.00 0.00 O ATOM 0 H GLU S 59 25.815 -13.149 18.299 1.00 0.00 H new ATOM 0 HA GLU S 59 27.466 -15.428 18.860 1.00 0.00 H new ATOM 0 HB2 GLU S 59 27.816 -13.316 20.054 1.00 0.00 H new ATOM 0 HB3 GLU S 59 26.129 -13.220 20.522 1.00 0.00 H new ATOM 0 HG2 GLU S 59 26.338 -15.006 22.112 1.00 0.00 H new ATOM 0 HG3 GLU S 59 27.824 -15.596 21.394 1.00 0.00 H new ATOM 2617 N GLU S 60 24.370 -15.849 19.438 1.00 0.00 N ATOM 2618 CA GLU S 60 23.381 -16.836 19.961 1.00 0.00 C ATOM 2619 C GLU S 60 23.169 -17.997 18.992 1.00 0.00 C ATOM 2620 O GLU S 60 22.696 -19.046 19.382 1.00 0.00 O ATOM 2621 CB GLU S 60 22.037 -16.128 20.164 1.00 0.00 C ATOM 2622 CG GLU S 60 21.326 -16.741 21.371 1.00 0.00 C ATOM 2623 CD GLU S 60 21.969 -16.217 22.656 1.00 0.00 C ATOM 2624 OE1 GLU S 60 21.903 -15.014 22.842 1.00 0.00 O ATOM 2625 OE2 GLU S 60 22.492 -17.050 23.378 1.00 0.00 O ATOM 0 H GLU S 60 23.994 -15.140 18.808 1.00 0.00 H new ATOM 0 HA GLU S 60 23.769 -17.235 20.898 1.00 0.00 H new ATOM 0 HB2 GLU S 60 22.194 -15.061 20.322 1.00 0.00 H new ATOM 0 HB3 GLU S 60 21.419 -16.231 19.272 1.00 0.00 H new ATOM 0 HG2 GLU S 60 20.266 -16.487 21.351 1.00 0.00 H new ATOM 0 HG3 GLU S 60 21.394 -17.828 21.334 1.00 0.00 H new ATOM 3131 N VAL S 94 30.398 -17.229 3.167 1.00 0.00 N ATOM 3132 CA VAL S 94 31.624 -17.987 3.528 1.00 0.00 C ATOM 3133 C VAL S 94 32.504 -17.117 4.406 1.00 0.00 C ATOM 3134 O VAL S 94 33.452 -17.579 5.012 1.00 0.00 O ATOM 3135 CB VAL S 94 32.382 -18.332 2.240 1.00 0.00 C ATOM 3136 CG1 VAL S 94 33.461 -19.369 2.555 1.00 0.00 C ATOM 3137 CG2 VAL S 94 31.402 -18.920 1.222 1.00 0.00 C ATOM 0 HA VAL S 94 31.359 -18.899 4.063 1.00 0.00 H new ATOM 0 HB VAL S 94 32.843 -17.433 1.831 1.00 0.00 H new ATOM 0 HG11 VAL S 94 34.003 -19.618 1.643 1.00 0.00 H new ATOM 0 HG12 VAL S 94 34.155 -18.960 3.290 1.00 0.00 H new ATOM 0 HG13 VAL S 94 32.995 -20.268 2.957 1.00 0.00 H new ATOM 0 HG21 VAL S 94 31.935 -19.167 0.304 1.00 0.00 H new ATOM 0 HG22 VAL S 94 30.949 -19.822 1.632 1.00 0.00 H new ATOM 0 HG23 VAL S 94 30.623 -18.190 1.003 1.00 0.00 H new ATOM 3147 N GLU S 95 32.161 -15.862 4.452 1.00 0.00 N ATOM 3148 CA GLU S 95 32.940 -14.914 5.277 1.00 0.00 C ATOM 3149 C GLU S 95 32.344 -14.836 6.678 1.00 0.00 C ATOM 3150 O GLU S 95 32.928 -14.268 7.579 1.00 0.00 O ATOM 3151 CB GLU S 95 32.871 -13.540 4.607 1.00 0.00 C ATOM 3152 CG GLU S 95 34.146 -13.316 3.785 1.00 0.00 C ATOM 3153 CD GLU S 95 33.879 -12.265 2.706 1.00 0.00 C ATOM 3154 OE1 GLU S 95 32.879 -12.429 2.027 1.00 0.00 O ATOM 3155 OE2 GLU S 95 34.690 -11.358 2.622 1.00 0.00 O ATOM 0 H GLU S 95 31.371 -15.455 3.951 1.00 0.00 H new ATOM 0 HA GLU S 95 33.975 -15.245 5.360 1.00 0.00 H new ATOM 0 HB2 GLU S 95 31.994 -13.480 3.963 1.00 0.00 H new ATOM 0 HB3 GLU S 95 32.768 -12.759 5.361 1.00 0.00 H new ATOM 0 HG2 GLU S 95 34.957 -12.988 4.435 1.00 0.00 H new ATOM 0 HG3 GLU S 95 34.464 -14.252 3.325 1.00 0.00 H new ATOM 3162 N LEU S 96 31.178 -15.406 6.829 1.00 0.00 N ATOM 3163 CA LEU S 96 30.522 -15.384 8.160 1.00 0.00 C ATOM 3164 C LEU S 96 31.423 -16.108 9.158 1.00 0.00 C ATOM 3165 O LEU S 96 31.785 -15.579 10.191 1.00 0.00 O ATOM 3166 CB LEU S 96 29.193 -16.159 8.049 1.00 0.00 C ATOM 3167 CG LEU S 96 28.193 -15.746 9.153 1.00 0.00 C ATOM 3168 CD1 LEU S 96 28.884 -15.664 10.519 1.00 0.00 C ATOM 3169 CD2 LEU S 96 27.579 -14.385 8.819 1.00 0.00 C ATOM 0 H LEU S 96 30.658 -15.882 6.092 1.00 0.00 H new ATOM 0 HA LEU S 96 30.346 -14.359 8.486 1.00 0.00 H new ATOM 0 HB2 LEU S 96 28.748 -15.979 7.070 1.00 0.00 H new ATOM 0 HB3 LEU S 96 29.389 -17.229 8.118 1.00 0.00 H new ATOM 0 HG LEU S 96 27.412 -16.504 9.200 1.00 0.00 H new ATOM 0 HD11 LEU S 96 28.158 -15.372 11.277 1.00 0.00 H new ATOM 0 HD12 LEU S 96 29.303 -16.638 10.774 1.00 0.00 H new ATOM 0 HD13 LEU S 96 29.684 -14.925 10.478 1.00 0.00 H new ATOM 0 HD21 LEU S 96 26.876 -14.101 9.602 1.00 0.00 H new ATOM 0 HD22 LEU S 96 28.368 -13.636 8.752 1.00 0.00 H new ATOM 0 HD23 LEU S 96 27.055 -14.446 7.865 1.00 0.00 H new ATOM 3181 N ARG S 97 31.784 -17.308 8.792 1.00 0.00 N ATOM 3182 CA ARG S 97 32.661 -18.127 9.672 1.00 0.00 C ATOM 3183 C ARG S 97 34.050 -17.506 9.809 1.00 0.00 C ATOM 3184 O ARG S 97 34.629 -17.516 10.877 1.00 0.00 O ATOM 3185 CB ARG S 97 32.816 -19.527 9.052 1.00 0.00 C ATOM 3186 CG ARG S 97 32.120 -19.578 7.688 1.00 0.00 C ATOM 3187 CD ARG S 97 32.338 -20.957 7.061 1.00 0.00 C ATOM 3188 NE ARG S 97 31.413 -21.934 7.703 1.00 0.00 N ATOM 3189 CZ ARG S 97 31.111 -23.039 7.077 1.00 0.00 C ATOM 3190 NH1 ARG S 97 30.787 -22.981 5.814 1.00 0.00 N ATOM 3191 NH2 ARG S 97 31.142 -24.165 7.735 1.00 0.00 N ATOM 0 H ARG S 97 31.508 -17.756 7.918 1.00 0.00 H new ATOM 0 HA ARG S 97 32.202 -18.179 10.659 1.00 0.00 H new ATOM 0 HB2 ARG S 97 33.873 -19.768 8.939 1.00 0.00 H new ATOM 0 HB3 ARG S 97 32.387 -20.277 9.716 1.00 0.00 H new ATOM 0 HG2 ARG S 97 31.054 -19.382 7.803 1.00 0.00 H new ATOM 0 HG3 ARG S 97 32.518 -18.802 7.035 1.00 0.00 H new ATOM 0 HD2 ARG S 97 32.155 -20.915 5.987 1.00 0.00 H new ATOM 0 HD3 ARG S 97 33.372 -21.273 7.196 1.00 0.00 H new ATOM 0 HE ARG S 97 31.019 -21.741 8.624 1.00 0.00 H new ATOM 0 HH11 ARG S 97 30.773 -22.082 5.332 1.00 0.00 H new ATOM 0 HH12 ARG S 97 30.548 -23.834 5.309 1.00 0.00 H new ATOM 0 HH21 ARG S 97 31.399 -24.172 8.722 1.00 0.00 H new ATOM 0 HH22 ARG S 97 30.909 -25.038 7.262 1.00 0.00 H new ATOM 3205 N GLN S 98 34.562 -16.974 8.730 1.00 0.00 N ATOM 3206 CA GLN S 98 35.904 -16.357 8.795 1.00 0.00 C ATOM 3207 C GLN S 98 36.048 -15.462 10.017 1.00 0.00 C ATOM 3208 O GLN S 98 36.764 -15.784 10.943 1.00 0.00 O ATOM 3209 CB GLN S 98 36.075 -15.504 7.546 1.00 0.00 C ATOM 3210 CG GLN S 98 36.428 -16.410 6.372 1.00 0.00 C ATOM 3211 CD GLN S 98 37.929 -16.703 6.386 1.00 0.00 C ATOM 3212 OE1 GLN S 98 38.382 -17.645 7.007 1.00 0.00 O ATOM 3213 NE2 GLN S 98 38.735 -15.925 5.716 1.00 0.00 N ATOM 0 H GLN S 98 34.108 -16.944 7.817 1.00 0.00 H new ATOM 0 HA GLN S 98 36.657 -17.143 8.861 1.00 0.00 H new ATOM 0 HB2 GLN S 98 35.157 -14.956 7.336 1.00 0.00 H new ATOM 0 HB3 GLN S 98 36.860 -14.764 7.700 1.00 0.00 H new ATOM 0 HG2 GLN S 98 35.865 -17.341 6.435 1.00 0.00 H new ATOM 0 HG3 GLN S 98 36.149 -15.932 5.433 1.00 0.00 H new ATOM 0 HE21 GLN S 98 38.362 -15.133 5.193 1.00 0.00 H new ATOM 0 HE22 GLN S 98 39.738 -16.109 5.716 1.00 0.00 H new ATOM 3222 N TRP S 99 35.364 -14.352 10.000 1.00 0.00 N ATOM 3223 CA TRP S 99 35.470 -13.437 11.170 1.00 0.00 C ATOM 3224 C TRP S 99 34.922 -14.072 12.440 1.00 0.00 C ATOM 3225 O TRP S 99 35.619 -14.193 13.427 1.00 0.00 O ATOM 3226 CB TRP S 99 34.643 -12.174 10.956 1.00 0.00 C ATOM 3227 CG TRP S 99 34.855 -11.319 12.175 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.047 -10.838 12.559 1.00 0.00 C ATOM 3229 CD2 TRP S 99 33.892 -10.846 12.944 1.00 0.00 C ATOM 3230 NE1 TRP S 99 35.747 -10.050 13.577 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.432 -9.989 13.875 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.519 -11.024 12.888 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 33.616 -9.313 14.717 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 31.713 -10.330 13.738 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.278 -9.459 14.643 1.00 0.00 C ATOM 0 H TRP S 99 34.750 -14.044 9.246 1.00 0.00 H new ATOM 0 HA TRP S 99 36.532 -13.215 11.270 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.959 -11.650 10.054 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.588 -12.417 10.830 1.00 0.00 H new ATOM 0 HD1 TRP S 99 37.019 -11.045 12.137 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.454 -9.529 14.096 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.090 -11.710 12.173 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.041 -8.650 15.456 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 30.642 -10.461 13.703 1.00 0.00 H new ATOM 0 HH2 TRP S 99 31.642 -8.886 15.301 1.00 0.00 H new ATOM 3246 N LEU S 100 33.663 -14.417 12.387 1.00 0.00 N ATOM 3247 CA LEU S 100 33.000 -15.045 13.562 1.00 0.00 C ATOM 3248 C LEU S 100 33.959 -15.905 14.395 1.00 0.00 C ATOM 3249 O LEU S 100 33.797 -16.044 15.589 1.00 0.00 O ATOM 3250 CB LEU S 100 31.846 -15.893 13.035 1.00 0.00 C ATOM 3251 CG LEU S 100 31.035 -16.519 14.179 1.00 0.00 C ATOM 3252 CD1 LEU S 100 30.732 -15.508 15.292 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.708 -16.964 13.599 1.00 0.00 C ATOM 0 H LEU S 100 33.063 -14.289 11.572 1.00 0.00 H new ATOM 0 HA LEU S 100 32.645 -14.261 14.231 1.00 0.00 H new ATOM 0 HB2 LEU S 100 31.191 -15.275 12.420 1.00 0.00 H new ATOM 0 HB3 LEU S 100 32.237 -16.681 12.392 1.00 0.00 H new ATOM 0 HG LEU S 100 31.613 -17.339 14.605 1.00 0.00 H new ATOM 0 HD11 LEU S 100 30.157 -15.995 16.079 1.00 0.00 H new ATOM 0 HD12 LEU S 100 31.667 -15.131 15.706 1.00 0.00 H new ATOM 0 HD13 LEU S 100 30.156 -14.678 14.883 1.00 0.00 H new ATOM 0 HD21 LEU S 100 29.101 -17.416 14.384 1.00 0.00 H new ATOM 0 HD22 LEU S 100 29.184 -16.102 13.186 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.883 -17.695 12.810 1.00 0.00 H new ATOM 3265 N GLU S 101 34.942 -16.468 13.749 1.00 0.00 N ATOM 3266 CA GLU S 101 35.911 -17.316 14.494 1.00 0.00 C ATOM 3267 C GLU S 101 36.871 -16.468 15.333 1.00 0.00 C ATOM 3268 O GLU S 101 37.172 -16.800 16.461 1.00 0.00 O ATOM 3269 CB GLU S 101 36.736 -18.111 13.473 1.00 0.00 C ATOM 3270 CG GLU S 101 36.432 -19.601 13.626 1.00 0.00 C ATOM 3271 CD GLU S 101 37.290 -20.396 12.639 1.00 0.00 C ATOM 3272 OE1 GLU S 101 38.415 -20.686 13.012 1.00 0.00 O ATOM 3273 OE2 GLU S 101 36.772 -20.669 11.568 1.00 0.00 O ATOM 0 H GLU S 101 35.115 -16.379 12.748 1.00 0.00 H new ATOM 0 HA GLU S 101 35.355 -17.972 15.164 1.00 0.00 H new ATOM 0 HB2 GLU S 101 36.498 -17.782 12.461 1.00 0.00 H new ATOM 0 HB3 GLU S 101 37.800 -17.928 13.626 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.638 -19.923 14.647 1.00 0.00 H new ATOM 0 HG3 GLU S 101 35.375 -19.789 13.440 1.00 0.00 H new ATOM 3280 N GLU S 102 37.329 -15.388 14.765 1.00 0.00 N ATOM 3281 CA GLU S 102 38.270 -14.506 15.509 1.00 0.00 C ATOM 3282 C GLU S 102 37.593 -13.747 16.655 1.00 0.00 C ATOM 3283 O GLU S 102 38.228 -13.442 17.644 1.00 0.00 O ATOM 3284 CB GLU S 102 38.841 -13.484 14.522 1.00 0.00 C ATOM 3285 CG GLU S 102 39.626 -14.223 13.437 1.00 0.00 C ATOM 3286 CD GLU S 102 41.122 -13.974 13.635 1.00 0.00 C ATOM 3287 OE1 GLU S 102 41.487 -12.810 13.594 1.00 0.00 O ATOM 3288 OE2 GLU S 102 41.816 -14.961 13.817 1.00 0.00 O ATOM 0 H GLU S 102 37.094 -15.079 13.822 1.00 0.00 H new ATOM 0 HA GLU S 102 39.044 -15.136 15.947 1.00 0.00 H new ATOM 0 HB2 GLU S 102 38.035 -12.903 14.074 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.490 -12.780 15.043 1.00 0.00 H new ATOM 0 HG2 GLU S 102 39.415 -15.291 13.483 1.00 0.00 H new ATOM 0 HG3 GLU S 102 39.316 -13.879 12.450 1.00 0.00 H new ATOM 3295 N VAL S 103 36.329 -13.454 16.514 1.00 0.00 N ATOM 3296 CA VAL S 103 35.645 -12.713 17.612 1.00 0.00 C ATOM 3297 C VAL S 103 35.179 -13.647 18.730 1.00 0.00 C ATOM 3298 O VAL S 103 35.316 -13.327 19.894 1.00 0.00 O ATOM 3299 CB VAL S 103 34.425 -11.976 17.036 1.00 0.00 C ATOM 3300 CG1 VAL S 103 33.737 -12.860 16.001 1.00 0.00 C ATOM 3301 CG2 VAL S 103 33.431 -11.668 18.158 1.00 0.00 C ATOM 0 H VAL S 103 35.751 -13.689 15.707 1.00 0.00 H new ATOM 0 HA VAL S 103 36.361 -12.010 18.038 1.00 0.00 H new ATOM 0 HB VAL S 103 34.757 -11.048 16.571 1.00 0.00 H new ATOM 0 HG11 VAL S 103 32.872 -12.337 15.593 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.435 -13.089 15.196 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.411 -13.787 16.473 1.00 0.00 H new ATOM 0 HG21 VAL S 103 32.568 -11.146 17.746 1.00 0.00 H new ATOM 0 HG22 VAL S 103 33.105 -12.599 18.621 1.00 0.00 H new ATOM 0 HG23 VAL S 103 33.912 -11.039 18.908 1.00 0.00 H new ATOM 3311 N LEU S 104 34.645 -14.784 18.364 1.00 0.00 N ATOM 3312 CA LEU S 104 34.172 -15.735 19.409 1.00 0.00 C ATOM 3313 C LEU S 104 35.226 -16.796 19.719 1.00 0.00 C ATOM 3314 O LEU S 104 35.690 -16.896 20.838 1.00 0.00 O ATOM 3315 CB LEU S 104 32.900 -16.422 18.893 1.00 0.00 C ATOM 3316 CG LEU S 104 31.669 -15.786 19.558 1.00 0.00 C ATOM 3317 CD1 LEU S 104 30.428 -16.059 18.706 1.00 0.00 C ATOM 3318 CD2 LEU S 104 31.466 -16.404 20.945 1.00 0.00 C ATOM 0 H LEU S 104 34.518 -15.091 17.400 1.00 0.00 H new ATOM 0 HA LEU S 104 33.975 -15.181 20.327 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.834 -16.322 17.810 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.935 -17.489 19.113 1.00 0.00 H new ATOM 0 HG LEU S 104 31.823 -14.711 19.649 1.00 0.00 H new ATOM 0 HD11 LEU S 104 29.556 -15.608 19.179 1.00 0.00 H new ATOM 0 HD12 LEU S 104 30.566 -15.629 17.714 1.00 0.00 H new ATOM 0 HD13 LEU S 104 30.277 -17.135 18.618 1.00 0.00 H new ATOM 0 HD21 LEU S 104 30.593 -15.955 21.419 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.312 -17.478 20.846 1.00 0.00 H new ATOM 0 HD23 LEU S 104 32.348 -16.219 21.558 1.00 0.00 H new ATOM 3330 N LEU S 105 35.590 -17.572 18.733 1.00 0.00 N ATOM 3331 CA LEU S 105 36.615 -18.622 18.987 1.00 0.00 C ATOM 3332 C LEU S 105 37.997 -17.991 19.146 1.00 0.00 C ATOM 3333 O LEU S 105 39.005 -18.659 19.032 1.00 0.00 O ATOM 3334 CB LEU S 105 36.648 -19.585 17.789 1.00 0.00 C ATOM 3335 CG LEU S 105 35.509 -20.609 17.898 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.797 -21.607 19.033 1.00 0.00 C ATOM 3337 CD2 LEU S 105 34.186 -19.880 18.169 1.00 0.00 C ATOM 0 H LEU S 105 35.229 -17.526 17.780 1.00 0.00 H new ATOM 0 HA LEU S 105 36.357 -19.154 19.903 1.00 0.00 H new ATOM 0 HB2 LEU S 105 36.554 -19.024 16.859 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.608 -20.101 17.754 1.00 0.00 H new ATOM 0 HG LEU S 105 35.435 -21.158 16.959 1.00 0.00 H new ATOM 0 HD11 LEU S 105 34.982 -22.327 19.100 1.00 0.00 H new ATOM 0 HD12 LEU S 105 36.730 -22.132 18.828 1.00 0.00 H new ATOM 0 HD13 LEU S 105 35.884 -21.069 19.977 1.00 0.00 H new ATOM 0 HD21 LEU S 105 33.379 -20.608 18.246 1.00 0.00 H new ATOM 0 HD22 LEU S 105 34.262 -19.323 19.103 1.00 0.00 H new ATOM 0 HD23 LEU S 105 33.976 -19.191 17.351 1.00 0.00 H new