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 Set 1.1: S 31 GLN : amide:sc=-0.00355 K(o=-0.2,f=-0.77) USER MOD Set 1.2: S 32 ASN : amide:sc= -0.195 K(o=-0.2,f=-0.78) USER MOD Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 27 LYS NZ :NH3+ 169:sc= -1.96! (180deg=-2.44!) USER MOD Single : R 28 ASN : amide:sc= -0.3 K(o=-0.3,f=-0.85) USER MOD Single : R 30 TYR OH : rot 180:sc= 0 USER MOD Single : R 31 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : R 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 35 HIS : no HD1:sc= -3.66! C(o=-3.7!,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 -61:sc= 0.912 USER MOD Single : R 53 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : R 98 GLN : amide:sc=-0.00664 K(o=-0.0066,f=-2.1!) USER MOD Single : S 16 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 27 LYS NZ :NH3+ -135:sc= -1.08 (180deg=-2.99!) USER MOD Single : S 28 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.091) USER MOD Single : S 30 TYR OH : rot 150:sc= 0 USER MOD Single : S 35 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-6.6!) USER MOD Single : S 40 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.097) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot -101:sc= -0.787! USER MOD Single : S 53 THR OG1 : rot 130:sc= 0.203 USER MOD Single : S 98 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 23.936 -2.818 29.019 1.00 0.00 N ATOM 181 CA HIS R 16 25.040 -1.824 29.037 1.00 0.00 C ATOM 182 C HIS R 16 26.383 -2.510 28.826 1.00 0.00 C ATOM 183 O HIS R 16 27.195 -2.061 28.042 1.00 0.00 O ATOM 184 CB HIS R 16 25.060 -1.132 30.403 1.00 0.00 C ATOM 185 CG HIS R 16 25.292 0.365 30.199 1.00 0.00 C ATOM 186 ND1 HIS R 16 24.561 1.287 30.670 1.00 0.00 N ATOM 187 CD2 HIS R 16 26.287 1.020 29.498 1.00 0.00 C ATOM 188 CE1 HIS R 16 25.010 2.435 30.329 1.00 0.00 C ATOM 189 NE2 HIS R 16 26.099 2.346 29.585 1.00 0.00 N ATOM 0 HA HIS R 16 24.876 -1.103 28.236 1.00 0.00 H new ATOM 0 HB2 HIS R 16 24.117 -1.299 30.924 1.00 0.00 H new ATOM 0 HB3 HIS R 16 25.848 -1.554 31.027 1.00 0.00 H new ATOM 0 HD2 HIS R 16 27.092 0.539 28.963 1.00 0.00 H new ATOM 0 HE1 HIS R 16 24.552 3.370 30.616 1.00 0.00 H new ATOM 0 HE2 HIS R 16 26.657 3.097 29.179 1.00 0.00 H new ATOM 197 N GLN R 17 26.593 -3.587 29.532 1.00 0.00 N ATOM 198 CA GLN R 17 27.880 -4.312 29.381 1.00 0.00 C ATOM 199 C GLN R 17 28.074 -4.771 27.938 1.00 0.00 C ATOM 200 O GLN R 17 29.143 -5.213 27.564 1.00 0.00 O ATOM 201 CB GLN R 17 27.857 -5.540 30.298 1.00 0.00 C ATOM 202 CG GLN R 17 26.652 -6.416 29.948 1.00 0.00 C ATOM 203 CD GLN R 17 26.608 -7.613 30.899 1.00 0.00 C ATOM 204 OE1 GLN R 17 26.731 -8.750 30.489 1.00 0.00 O ATOM 205 NE2 GLN R 17 26.435 -7.401 32.174 1.00 0.00 N ATOM 0 H GLN R 17 25.935 -3.991 30.199 1.00 0.00 H new ATOM 0 HA GLN R 17 28.700 -3.645 29.648 1.00 0.00 H new ATOM 0 HB2 GLN R 17 28.779 -6.109 30.184 1.00 0.00 H new ATOM 0 HB3 GLN R 17 27.802 -5.227 31.341 1.00 0.00 H new ATOM 0 HG2 GLN R 17 25.731 -5.838 30.029 1.00 0.00 H new ATOM 0 HG3 GLN R 17 26.724 -6.759 28.916 1.00 0.00 H new ATOM 0 HE21 GLN R 17 26.331 -6.448 32.523 1.00 0.00 H new ATOM 0 HE22 GLN R 17 26.403 -8.188 32.822 1.00 0.00 H new ATOM 214 N GLU R 18 27.029 -4.654 27.159 1.00 0.00 N ATOM 215 CA GLU R 18 27.114 -5.073 25.732 1.00 0.00 C ATOM 216 C GLU R 18 27.213 -3.846 24.834 1.00 0.00 C ATOM 217 O GLU R 18 27.900 -3.860 23.834 1.00 0.00 O ATOM 218 CB GLU R 18 25.842 -5.849 25.363 1.00 0.00 C ATOM 219 CG GLU R 18 24.709 -5.450 26.311 1.00 0.00 C ATOM 220 CD GLU R 18 23.408 -6.099 25.843 1.00 0.00 C ATOM 221 OE1 GLU R 18 22.824 -5.545 24.928 1.00 0.00 O ATOM 222 OE2 GLU R 18 23.074 -7.116 26.426 1.00 0.00 O ATOM 0 H GLU R 18 26.123 -4.287 27.451 1.00 0.00 H new ATOM 0 HA GLU R 18 27.997 -5.698 25.594 1.00 0.00 H new ATOM 0 HB2 GLU R 18 25.560 -5.637 24.332 1.00 0.00 H new ATOM 0 HB3 GLU R 18 26.025 -6.921 25.429 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.942 -5.766 27.328 1.00 0.00 H new ATOM 0 HG3 GLU R 18 24.601 -4.366 26.331 1.00 0.00 H new ATOM 229 N TRP R 19 26.522 -2.802 25.212 1.00 0.00 N ATOM 230 CA TRP R 19 26.568 -1.560 24.395 1.00 0.00 C ATOM 231 C TRP R 19 28.015 -1.210 24.043 1.00 0.00 C ATOM 232 O TRP R 19 28.260 -0.371 23.203 1.00 0.00 O ATOM 233 CB TRP R 19 25.967 -0.412 25.216 1.00 0.00 C ATOM 234 CG TRP R 19 26.328 0.902 24.535 1.00 0.00 C ATOM 235 CD1 TRP R 19 27.416 1.641 24.823 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.661 1.443 23.514 1.00 0.00 C ATOM 237 NE1 TRP R 19 27.370 2.626 23.931 1.00 0.00 N ATOM 238 CE2 TRP R 19 26.320 2.581 23.082 1.00 0.00 C ATOM 239 CE3 TRP R 19 24.469 1.070 22.902 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.811 3.334 22.056 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.961 1.847 21.870 1.00 0.00 C ATOM 242 CH2 TRP R 19 24.635 2.973 21.455 1.00 0.00 C ATOM 0 H TRP R 19 25.934 -2.758 26.044 1.00 0.00 H new ATOM 0 HA TRP R 19 26.004 -1.713 23.475 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.884 -0.520 25.284 1.00 0.00 H new ATOM 0 HB3 TRP R 19 26.354 -0.431 26.235 1.00 0.00 H new ATOM 0 HD1 TRP R 19 28.152 1.473 25.596 1.00 0.00 H new ATOM 0 HE1 TRP R 19 28.076 3.362 23.891 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.944 0.184 23.227 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 26.339 4.214 21.721 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 23.034 1.567 21.391 1.00 0.00 H new ATOM 0 HH2 TRP R 19 24.235 3.574 20.652 1.00 0.00 H new ATOM 253 N LEU R 20 28.944 -1.862 24.708 1.00 0.00 N ATOM 254 CA LEU R 20 30.388 -1.596 24.441 1.00 0.00 C ATOM 255 C LEU R 20 31.082 -2.811 23.816 1.00 0.00 C ATOM 256 O LEU R 20 31.627 -2.736 22.735 1.00 0.00 O ATOM 257 CB LEU R 20 31.095 -1.315 25.776 1.00 0.00 C ATOM 258 CG LEU R 20 30.392 -0.183 26.531 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.783 -0.268 28.005 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.852 1.168 25.974 1.00 0.00 C ATOM 0 H LEU R 20 28.759 -2.566 25.423 1.00 0.00 H new ATOM 0 HA LEU R 20 30.447 -0.751 23.755 1.00 0.00 H new ATOM 0 HB2 LEU R 20 31.102 -2.218 26.387 1.00 0.00 H new ATOM 0 HB3 LEU R 20 32.135 -1.046 25.593 1.00 0.00 H new ATOM 0 HG LEU R 20 29.312 -0.276 26.416 1.00 0.00 H new ATOM 0 HD11 LEU R 20 30.291 0.532 28.559 1.00 0.00 H new ATOM 0 HD12 LEU R 20 30.474 -1.232 28.408 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.864 -0.164 28.101 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.351 1.973 26.512 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.931 1.265 26.098 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.602 1.229 24.915 1.00 0.00 H new ATOM 272 N ARG R 21 31.049 -3.908 24.523 1.00 0.00 N ATOM 273 CA ARG R 21 31.693 -5.139 24.015 1.00 0.00 C ATOM 274 C ARG R 21 31.297 -5.479 22.578 1.00 0.00 C ATOM 275 O ARG R 21 32.154 -5.648 21.741 1.00 0.00 O ATOM 276 CB ARG R 21 31.279 -6.297 24.930 1.00 0.00 C ATOM 277 CG ARG R 21 31.918 -7.581 24.408 1.00 0.00 C ATOM 278 CD ARG R 21 32.105 -8.576 25.559 1.00 0.00 C ATOM 279 NE ARG R 21 30.772 -8.944 26.111 1.00 0.00 N ATOM 280 CZ ARG R 21 30.028 -9.810 25.479 1.00 0.00 C ATOM 281 NH1 ARG R 21 30.331 -11.079 25.554 1.00 0.00 N ATOM 282 NH2 ARG R 21 29.011 -9.379 24.787 1.00 0.00 N ATOM 0 H ARG R 21 30.600 -3.999 25.434 1.00 0.00 H new ATOM 0 HA ARG R 21 32.771 -4.976 24.015 1.00 0.00 H new ATOM 0 HB2 ARG R 21 31.600 -6.104 25.954 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.194 -6.395 24.949 1.00 0.00 H new ATOM 0 HG2 ARG R 21 31.290 -8.021 23.634 1.00 0.00 H new ATOM 0 HG3 ARG R 21 32.881 -7.358 23.949 1.00 0.00 H new ATOM 0 HD2 ARG R 21 32.623 -9.467 25.205 1.00 0.00 H new ATOM 0 HD3 ARG R 21 32.726 -8.135 26.339 1.00 0.00 H new ATOM 0 HE ARG R 21 30.442 -8.521 26.979 1.00 0.00 H new ATOM 0 HH11 ARG R 21 31.138 -11.379 26.100 1.00 0.00 H new ATOM 0 HH12 ARG R 21 29.760 -11.769 25.066 1.00 0.00 H new ATOM 0 HH21 ARG R 21 28.808 -8.380 24.746 1.00 0.00 H new ATOM 0 HH22 ARG R 21 28.418 -10.041 24.286 1.00 0.00 H new ATOM 296 N PHE R 22 30.018 -5.556 22.307 1.00 0.00 N ATOM 297 CA PHE R 22 29.583 -5.893 20.915 1.00 0.00 C ATOM 298 C PHE R 22 29.901 -4.802 19.887 1.00 0.00 C ATOM 299 O PHE R 22 30.494 -5.076 18.857 1.00 0.00 O ATOM 300 CB PHE R 22 28.073 -6.129 20.916 1.00 0.00 C ATOM 301 CG PHE R 22 27.776 -7.315 19.998 1.00 0.00 C ATOM 302 CD1 PHE R 22 27.879 -8.611 20.471 1.00 0.00 C ATOM 303 CD2 PHE R 22 27.421 -7.106 18.677 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.634 -9.681 19.635 1.00 0.00 C ATOM 305 CE2 PHE R 22 27.179 -8.177 17.843 1.00 0.00 C ATOM 306 CZ PHE R 22 27.285 -9.464 18.321 1.00 0.00 C ATOM 0 H PHE R 22 29.265 -5.403 22.978 1.00 0.00 H new ATOM 0 HA PHE R 22 30.140 -6.782 20.620 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.720 -6.333 21.927 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.549 -5.239 20.569 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.153 -8.786 21.501 1.00 0.00 H new ATOM 0 HD2 PHE R 22 27.333 -6.099 18.297 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.716 -10.690 20.012 1.00 0.00 H new ATOM 0 HE2 PHE R 22 26.906 -8.006 16.812 1.00 0.00 H new ATOM 0 HZ PHE R 22 27.095 -10.302 17.666 1.00 0.00 H new ATOM 316 N VAL R 23 29.492 -3.593 20.152 1.00 0.00 N ATOM 317 CA VAL R 23 29.786 -2.517 19.170 1.00 0.00 C ATOM 318 C VAL R 23 31.270 -2.502 18.814 1.00 0.00 C ATOM 319 O VAL R 23 31.658 -2.020 17.767 1.00 0.00 O ATOM 320 CB VAL R 23 29.400 -1.167 19.782 1.00 0.00 C ATOM 321 CG1 VAL R 23 27.878 -1.104 19.919 1.00 0.00 C ATOM 322 CG2 VAL R 23 30.045 -1.034 21.161 1.00 0.00 C ATOM 0 H VAL R 23 28.979 -3.309 20.986 1.00 0.00 H new ATOM 0 HA VAL R 23 29.212 -2.701 18.262 1.00 0.00 H new ATOM 0 HB VAL R 23 29.746 -0.355 19.143 1.00 0.00 H new ATOM 0 HG11 VAL R 23 27.591 -0.147 20.354 1.00 0.00 H new ATOM 0 HG12 VAL R 23 27.420 -1.208 18.936 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.537 -1.913 20.565 1.00 0.00 H new ATOM 0 HG21 VAL R 23 29.772 -0.074 21.599 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.695 -1.840 21.806 1.00 0.00 H new ATOM 0 HG23 VAL R 23 31.129 -1.093 21.063 1.00 0.00 H new ATOM 332 N ASP R 24 32.073 -3.038 19.693 1.00 0.00 N ATOM 333 CA ASP R 24 33.537 -3.070 19.427 1.00 0.00 C ATOM 334 C ASP R 24 33.877 -4.152 18.406 1.00 0.00 C ATOM 335 O ASP R 24 34.881 -4.074 17.728 1.00 0.00 O ATOM 336 CB ASP R 24 34.254 -3.393 20.744 1.00 0.00 C ATOM 337 CG ASP R 24 34.965 -2.140 21.259 1.00 0.00 C ATOM 338 OD1 ASP R 24 34.348 -1.091 21.168 1.00 0.00 O ATOM 339 OD2 ASP R 24 36.086 -2.301 21.714 1.00 0.00 O ATOM 0 H ASP R 24 31.780 -3.452 20.578 1.00 0.00 H new ATOM 0 HA ASP R 24 33.852 -2.105 19.031 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.536 -3.747 21.484 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.975 -4.196 20.590 1.00 0.00 H new ATOM 344 N LEU R 25 33.038 -5.145 18.324 1.00 0.00 N ATOM 345 CA LEU R 25 33.293 -6.241 17.355 1.00 0.00 C ATOM 346 C LEU R 25 32.816 -5.834 15.962 1.00 0.00 C ATOM 347 O LEU R 25 33.242 -6.383 14.967 1.00 0.00 O ATOM 348 CB LEU R 25 32.521 -7.492 17.808 1.00 0.00 C ATOM 349 CG LEU R 25 32.660 -7.651 19.320 1.00 0.00 C ATOM 350 CD1 LEU R 25 31.910 -8.904 19.776 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.141 -7.788 19.682 1.00 0.00 C ATOM 0 H LEU R 25 32.191 -5.244 18.884 1.00 0.00 H new ATOM 0 HA LEU R 25 34.362 -6.448 17.317 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.469 -7.403 17.535 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.908 -8.376 17.301 1.00 0.00 H new ATOM 0 HG LEU R 25 32.240 -6.776 19.816 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.011 -9.016 20.856 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.855 -8.811 19.518 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.329 -9.780 19.280 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.243 -7.902 20.761 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.558 -8.663 19.184 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.679 -6.897 19.359 1.00 0.00 H new ATOM 363 N LEU R 26 31.921 -4.884 15.917 1.00 0.00 N ATOM 364 CA LEU R 26 31.417 -4.438 14.588 1.00 0.00 C ATOM 365 C LEU R 26 32.577 -3.971 13.710 1.00 0.00 C ATOM 366 O LEU R 26 32.768 -4.455 12.606 1.00 0.00 O ATOM 367 CB LEU R 26 30.459 -3.259 14.800 1.00 0.00 C ATOM 368 CG LEU R 26 29.554 -3.125 13.572 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.223 -3.822 13.850 1.00 0.00 C ATOM 370 CD2 LEU R 26 29.298 -1.642 13.289 1.00 0.00 C ATOM 0 H LEU R 26 31.524 -4.406 16.726 1.00 0.00 H new ATOM 0 HA LEU R 26 30.909 -5.270 14.099 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.858 -3.419 15.695 1.00 0.00 H new ATOM 0 HB3 LEU R 26 31.023 -2.339 14.954 1.00 0.00 H new ATOM 0 HG LEU R 26 30.037 -3.584 12.709 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.575 -3.729 12.979 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.401 -4.877 14.059 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.742 -3.358 14.711 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.654 -1.544 12.415 1.00 0.00 H new ATOM 0 HD22 LEU R 26 28.812 -1.186 14.151 1.00 0.00 H new ATOM 0 HD23 LEU R 26 30.246 -1.139 13.099 1.00 0.00 H new ATOM 382 N LYS R 27 33.335 -3.041 14.223 1.00 0.00 N ATOM 383 CA LYS R 27 34.484 -2.532 13.436 1.00 0.00 C ATOM 384 C LYS R 27 35.483 -3.649 13.137 1.00 0.00 C ATOM 385 O LYS R 27 36.157 -3.619 12.128 1.00 0.00 O ATOM 386 CB LYS R 27 35.200 -1.408 14.205 1.00 0.00 C ATOM 387 CG LYS R 27 34.839 -1.450 15.692 1.00 0.00 C ATOM 388 CD LYS R 27 35.929 -0.723 16.488 1.00 0.00 C ATOM 389 CE LYS R 27 36.981 -1.725 16.984 1.00 0.00 C ATOM 390 NZ LYS R 27 37.061 -2.918 16.092 1.00 0.00 N ATOM 0 H LYS R 27 33.208 -2.618 15.142 1.00 0.00 H new ATOM 0 HA LYS R 27 34.096 -2.144 12.494 1.00 0.00 H new ATOM 0 HB2 LYS R 27 36.279 -1.509 14.085 1.00 0.00 H new ATOM 0 HB3 LYS R 27 34.922 -0.441 13.786 1.00 0.00 H new ATOM 0 HG2 LYS R 27 33.871 -0.977 15.859 1.00 0.00 H new ATOM 0 HG3 LYS R 27 34.751 -2.483 16.030 1.00 0.00 H new ATOM 0 HD2 LYS R 27 36.403 0.033 15.862 1.00 0.00 H new ATOM 0 HD3 LYS R 27 35.484 -0.202 17.336 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.955 -1.238 17.031 1.00 0.00 H new ATOM 0 HE3 LYS R 27 36.734 -2.042 17.997 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 37.898 -3.482 16.341 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 36.205 -3.497 16.210 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 37.135 -2.607 15.102 1.00 0.00 H new ATOM 404 N ASN R 28 35.573 -4.621 14.012 1.00 0.00 N ATOM 405 CA ASN R 28 36.538 -5.719 13.738 1.00 0.00 C ATOM 406 C ASN R 28 36.230 -6.345 12.388 1.00 0.00 C ATOM 407 O ASN R 28 37.063 -6.360 11.506 1.00 0.00 O ATOM 408 CB ASN R 28 36.438 -6.798 14.816 1.00 0.00 C ATOM 409 CG ASN R 28 37.554 -6.593 15.846 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.688 -6.324 15.502 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.279 -6.718 17.116 1.00 0.00 N ATOM 0 H ASN R 28 35.037 -4.698 14.876 1.00 0.00 H new ATOM 0 HA ASN R 28 37.545 -5.302 13.737 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.464 -6.751 15.304 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.521 -7.787 14.365 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.014 -6.590 17.812 1.00 0.00 H new ATOM 0 HD22 ASN R 28 36.329 -6.944 17.412 1.00 0.00 H new ATOM 418 N ALA R 29 35.043 -6.863 12.243 1.00 0.00 N ATOM 419 CA ALA R 29 34.699 -7.483 10.940 1.00 0.00 C ATOM 420 C ALA R 29 35.053 -6.530 9.815 1.00 0.00 C ATOM 421 O ALA R 29 35.748 -6.896 8.890 1.00 0.00 O ATOM 422 CB ALA R 29 33.197 -7.766 10.908 1.00 0.00 C ATOM 0 H ALA R 29 34.312 -6.884 12.954 1.00 0.00 H new ATOM 0 HA ALA R 29 35.256 -8.411 10.816 1.00 0.00 H new ATOM 0 HB1 ALA R 29 32.933 -8.222 9.954 1.00 0.00 H new ATOM 0 HB2 ALA R 29 32.937 -8.446 11.719 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.648 -6.832 11.028 1.00 0.00 H new ATOM 428 N TYR R 30 34.579 -5.319 9.910 1.00 0.00 N ATOM 429 CA TYR R 30 34.902 -4.351 8.835 1.00 0.00 C ATOM 430 C TYR R 30 36.374 -4.432 8.494 1.00 0.00 C ATOM 431 O TYR R 30 36.727 -5.018 7.471 1.00 0.00 O ATOM 432 CB TYR R 30 34.630 -2.926 9.340 1.00 0.00 C ATOM 433 CG TYR R 30 33.229 -2.469 8.940 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.998 -1.937 7.691 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.183 -2.553 9.836 1.00 0.00 C ATOM 436 CE1 TYR R 30 31.740 -1.490 7.340 1.00 0.00 C ATOM 437 CE2 TYR R 30 30.924 -2.109 9.487 1.00 0.00 C ATOM 438 CZ TYR R 30 30.693 -1.572 8.236 1.00 0.00 C ATOM 439 OH TYR R 30 29.435 -1.127 7.887 1.00 0.00 O ATOM 0 H TYR R 30 33.995 -4.967 10.669 1.00 0.00 H new ATOM 0 HA TYR R 30 34.293 -4.584 7.962 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.732 -2.894 10.425 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.372 -2.242 8.929 1.00 0.00 H new ATOM 0 HD1 TYR R 30 33.808 -1.869 6.980 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.351 -2.970 10.818 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.574 -1.073 6.358 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.114 -2.182 10.197 1.00 0.00 H new ATOM 0 HH TYR R 30 28.820 -1.262 8.638 1.00 0.00 H new ATOM 449 N GLN R 31 37.163 -3.979 9.471 1.00 0.00 N ATOM 450 CA GLN R 31 38.654 -3.940 9.386 1.00 0.00 C ATOM 451 C GLN R 31 39.121 -4.299 8.008 1.00 0.00 C ATOM 452 O GLN R 31 39.628 -3.461 7.288 1.00 0.00 O ATOM 453 CB GLN R 31 39.220 -4.945 10.397 1.00 0.00 C ATOM 454 CG GLN R 31 40.728 -4.732 10.536 1.00 0.00 C ATOM 455 CD GLN R 31 41.297 -5.766 11.511 1.00 0.00 C ATOM 456 OE1 GLN R 31 42.303 -6.394 11.249 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.685 -5.972 12.647 1.00 0.00 N ATOM 0 H GLN R 31 36.799 -3.623 10.355 1.00 0.00 H new ATOM 0 HA GLN R 31 39.002 -2.931 9.609 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.733 -4.818 11.364 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.014 -5.964 10.068 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.212 -4.827 9.564 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.933 -3.724 10.896 1.00 0.00 H new ATOM 0 HE21 GLN R 31 39.840 -5.448 12.873 1.00 0.00 H new ATOM 0 HE22 GLN R 31 41.053 -6.657 13.308 1.00 0.00 H new ATOM 466 N ASN R 32 38.947 -5.523 7.660 1.00 0.00 N ATOM 467 CA ASN R 32 39.383 -5.924 6.312 1.00 0.00 C ATOM 468 C ASN R 32 38.180 -5.736 5.376 1.00 0.00 C ATOM 469 O ASN R 32 37.962 -4.655 4.867 1.00 0.00 O ATOM 470 CB ASN R 32 39.868 -7.394 6.360 1.00 0.00 C ATOM 471 CG ASN R 32 41.077 -7.551 5.435 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.987 -8.135 4.374 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.225 -7.052 5.800 1.00 0.00 N ATOM 0 H ASN R 32 38.530 -6.255 8.235 1.00 0.00 H new ATOM 0 HA ASN R 32 40.215 -5.322 5.946 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.136 -7.669 7.380 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.067 -8.065 6.050 1.00 0.00 H new ATOM 0 HD21 ASN R 32 43.040 -7.153 5.196 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.308 -6.560 6.690 1.00 0.00 H new ATOM 480 N ASP R 33 37.423 -6.770 5.181 1.00 0.00 N ATOM 481 CA ASP R 33 36.236 -6.688 4.299 1.00 0.00 C ATOM 482 C ASP R 33 35.182 -7.650 4.816 1.00 0.00 C ATOM 483 O ASP R 33 34.364 -8.121 4.051 1.00 0.00 O ATOM 484 CB ASP R 33 36.625 -7.160 2.905 1.00 0.00 C ATOM 485 CG ASP R 33 37.523 -6.133 2.212 1.00 0.00 C ATOM 486 OD1 ASP R 33 37.443 -4.983 2.608 1.00 0.00 O ATOM 487 OD2 ASP R 33 38.234 -6.559 1.316 1.00 0.00 O ATOM 0 H ASP R 33 37.579 -7.685 5.603 1.00 0.00 H new ATOM 0 HA ASP R 33 35.864 -5.664 4.278 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.144 -8.116 2.972 1.00 0.00 H new ATOM 0 HB3 ASP R 33 35.728 -7.325 2.309 1.00 0.00 H new ATOM 492 N LEU R 34 35.202 -7.936 6.091 1.00 0.00 N ATOM 493 CA LEU R 34 34.178 -8.901 6.590 1.00 0.00 C ATOM 494 C LEU R 34 32.856 -8.266 6.984 1.00 0.00 C ATOM 495 O LEU R 34 31.977 -8.942 7.479 1.00 0.00 O ATOM 496 CB LEU R 34 34.717 -9.647 7.818 1.00 0.00 C ATOM 497 CG LEU R 34 36.100 -10.301 7.565 1.00 0.00 C ATOM 498 CD1 LEU R 34 36.239 -10.775 6.115 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.219 -9.307 7.893 1.00 0.00 C ATOM 0 H LEU R 34 35.852 -7.563 6.783 1.00 0.00 H new ATOM 0 HA LEU R 34 33.985 -9.570 5.751 1.00 0.00 H new ATOM 0 HB2 LEU R 34 34.796 -8.952 8.654 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.004 -10.418 8.111 1.00 0.00 H new ATOM 0 HG LEU R 34 36.181 -11.171 8.216 1.00 0.00 H new ATOM 0 HD11 LEU R 34 37.220 -11.228 5.973 1.00 0.00 H new ATOM 0 HD12 LEU R 34 35.465 -11.510 5.897 1.00 0.00 H new ATOM 0 HD13 LEU R 34 36.131 -9.924 5.442 1.00 0.00 H new ATOM 0 HD21 LEU R 34 38.186 -9.776 7.712 1.00 0.00 H new ATOM 0 HD22 LEU R 34 37.119 -8.425 7.260 1.00 0.00 H new ATOM 0 HD23 LEU R 34 37.149 -9.012 8.940 1.00 0.00 H new ATOM 511 N HIS R 35 32.713 -7.004 6.768 1.00 0.00 N ATOM 512 CA HIS R 35 31.412 -6.389 7.157 1.00 0.00 C ATOM 513 C HIS R 35 30.261 -6.901 6.294 1.00 0.00 C ATOM 514 O HIS R 35 29.297 -7.425 6.806 1.00 0.00 O ATOM 515 CB HIS R 35 31.473 -4.868 7.005 1.00 0.00 C ATOM 516 CG HIS R 35 32.015 -4.487 5.628 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.008 -5.024 5.046 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.569 -3.519 4.750 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.208 -4.480 3.903 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.335 -3.520 3.647 1.00 0.00 N ATOM 0 H HIS R 35 33.406 -6.380 6.355 1.00 0.00 H new ATOM 0 HA HIS R 35 31.234 -6.666 8.196 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.478 -4.443 7.141 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.109 -4.445 7.782 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.731 -2.861 4.924 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.998 -4.772 3.227 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.262 -2.929 2.819 1.00 0.00 H new ATOM 528 N LEU R 36 30.416 -6.781 5.003 1.00 0.00 N ATOM 529 CA LEU R 36 29.345 -7.245 4.057 1.00 0.00 C ATOM 530 C LEU R 36 28.469 -8.397 4.593 1.00 0.00 C ATOM 531 O LEU R 36 27.276 -8.220 4.753 1.00 0.00 O ATOM 532 CB LEU R 36 29.997 -7.683 2.729 1.00 0.00 C ATOM 533 CG LEU R 36 29.820 -6.607 1.638 1.00 0.00 C ATOM 534 CD1 LEU R 36 28.373 -6.626 1.114 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.170 -5.219 2.194 1.00 0.00 C ATOM 0 H LEU R 36 31.240 -6.380 4.555 1.00 0.00 H new ATOM 0 HA LEU R 36 28.676 -6.395 3.920 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.059 -7.873 2.887 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.552 -8.620 2.394 1.00 0.00 H new ATOM 0 HG LEU R 36 30.497 -6.827 0.812 1.00 0.00 H new ATOM 0 HD11 LEU R 36 28.255 -5.864 0.344 1.00 0.00 H new ATOM 0 HD12 LEU R 36 28.152 -7.606 0.691 1.00 0.00 H new ATOM 0 HD13 LEU R 36 27.686 -6.422 1.935 1.00 0.00 H new ATOM 0 HD21 LEU R 36 30.040 -4.471 1.412 1.00 0.00 H new ATOM 0 HD22 LEU R 36 29.513 -4.986 3.032 1.00 0.00 H new ATOM 0 HD23 LEU R 36 31.206 -5.214 2.533 1.00 0.00 H new ATOM 547 N PRO R 37 29.046 -9.550 4.873 1.00 0.00 N ATOM 548 CA PRO R 37 28.252 -10.684 5.383 1.00 0.00 C ATOM 549 C PRO R 37 27.400 -10.322 6.606 1.00 0.00 C ATOM 550 O PRO R 37 26.240 -9.990 6.463 1.00 0.00 O ATOM 551 CB PRO R 37 29.291 -11.764 5.736 1.00 0.00 C ATOM 552 CG PRO R 37 30.693 -11.132 5.544 1.00 0.00 C ATOM 553 CD PRO R 37 30.498 -9.832 4.751 1.00 0.00 C ATOM 0 HA PRO R 37 27.531 -11.017 4.636 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.159 -12.103 6.764 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.171 -12.637 5.094 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.159 -10.929 6.508 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.353 -11.814 5.008 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.098 -9.020 5.162 1.00 0.00 H new ATOM 0 HD3 PRO R 37 30.795 -9.952 3.709 1.00 0.00 H new ATOM 561 N LEU R 38 27.968 -10.389 7.782 1.00 0.00 N ATOM 562 CA LEU R 38 27.154 -10.047 8.979 1.00 0.00 C ATOM 563 C LEU R 38 26.489 -8.690 8.821 1.00 0.00 C ATOM 564 O LEU R 38 25.358 -8.512 9.231 1.00 0.00 O ATOM 565 CB LEU R 38 28.039 -10.071 10.238 1.00 0.00 C ATOM 566 CG LEU R 38 28.967 -8.849 10.283 1.00 0.00 C ATOM 567 CD1 LEU R 38 28.348 -7.752 11.164 1.00 0.00 C ATOM 568 CD2 LEU R 38 30.301 -9.257 10.896 1.00 0.00 C ATOM 0 H LEU R 38 28.935 -10.659 7.961 1.00 0.00 H new ATOM 0 HA LEU R 38 26.366 -10.793 9.083 1.00 0.00 H new ATOM 0 HB2 LEU R 38 27.410 -10.087 11.128 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.634 -10.984 10.251 1.00 0.00 H new ATOM 0 HG LEU R 38 29.108 -8.474 9.269 1.00 0.00 H new ATOM 0 HD11 LEU R 38 29.013 -6.889 11.191 1.00 0.00 H new ATOM 0 HD12 LEU R 38 27.384 -7.455 10.752 1.00 0.00 H new ATOM 0 HD13 LEU R 38 28.208 -8.133 12.175 1.00 0.00 H new ATOM 0 HD21 LEU R 38 30.965 -8.393 10.931 1.00 0.00 H new ATOM 0 HD22 LEU R 38 30.138 -9.630 11.907 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.756 -10.040 10.289 1.00 0.00 H new ATOM 580 N LEU R 39 27.200 -7.753 8.249 1.00 0.00 N ATOM 581 CA LEU R 39 26.589 -6.397 8.067 1.00 0.00 C ATOM 582 C LEU R 39 25.135 -6.544 7.628 1.00 0.00 C ATOM 583 O LEU R 39 24.264 -5.833 8.091 1.00 0.00 O ATOM 584 CB LEU R 39 27.363 -5.623 6.983 1.00 0.00 C ATOM 585 CG LEU R 39 26.641 -4.314 6.654 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.416 -3.513 7.936 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.508 -3.494 5.696 1.00 0.00 C ATOM 0 H LEU R 39 28.155 -7.860 7.906 1.00 0.00 H new ATOM 0 HA LEU R 39 26.635 -5.855 9.012 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.375 -5.412 7.328 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.454 -6.233 6.084 1.00 0.00 H new ATOM 0 HG LEU R 39 25.679 -4.535 6.192 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.902 -2.582 7.698 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.808 -4.096 8.628 1.00 0.00 H new ATOM 0 HD13 LEU R 39 27.377 -3.289 8.398 1.00 0.00 H new ATOM 0 HD21 LEU R 39 27.001 -2.559 5.456 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.466 -3.276 6.168 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.675 -4.061 4.780 1.00 0.00 H new ATOM 599 N ASN R 40 24.903 -7.468 6.732 1.00 0.00 N ATOM 600 CA ASN R 40 23.517 -7.685 6.248 1.00 0.00 C ATOM 601 C ASN R 40 22.655 -8.213 7.389 1.00 0.00 C ATOM 602 O ASN R 40 21.541 -7.775 7.589 1.00 0.00 O ATOM 603 CB ASN R 40 23.551 -8.737 5.131 1.00 0.00 C ATOM 604 CG ASN R 40 23.131 -8.093 3.808 1.00 0.00 C ATOM 605 OD1 ASN R 40 21.961 -7.992 3.498 1.00 0.00 O ATOM 606 ND2 ASN R 40 24.055 -7.651 3.000 1.00 0.00 N ATOM 0 H ASN R 40 25.611 -8.075 6.320 1.00 0.00 H new ATOM 0 HA ASN R 40 23.103 -6.746 5.880 1.00 0.00 H new ATOM 0 HB2 ASN R 40 24.554 -9.155 5.042 1.00 0.00 H new ATOM 0 HB3 ASN R 40 22.882 -9.562 5.374 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.794 -7.223 2.112 1.00 0.00 H new ATOM 0 HD22 ASN R 40 25.039 -7.734 3.256 1.00 0.00 H new ATOM 613 N LEU R 41 23.198 -9.150 8.120 1.00 0.00 N ATOM 614 CA LEU R 41 22.432 -9.729 9.259 1.00 0.00 C ATOM 615 C LEU R 41 22.087 -8.664 10.297 1.00 0.00 C ATOM 616 O LEU R 41 21.454 -8.959 11.290 1.00 0.00 O ATOM 617 CB LEU R 41 23.299 -10.792 9.948 1.00 0.00 C ATOM 618 CG LEU R 41 22.382 -11.861 10.565 1.00 0.00 C ATOM 619 CD1 LEU R 41 21.781 -12.752 9.467 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.187 -12.736 11.529 1.00 0.00 C ATOM 0 H LEU R 41 24.131 -9.536 7.979 1.00 0.00 H new ATOM 0 HA LEU R 41 21.509 -10.155 8.865 1.00 0.00 H new ATOM 0 HB2 LEU R 41 23.978 -11.248 9.228 1.00 0.00 H new ATOM 0 HB3 LEU R 41 23.915 -10.333 10.721 1.00 0.00 H new ATOM 0 HG LEU R 41 21.577 -11.358 11.100 1.00 0.00 H new ATOM 0 HD11 LEU R 41 21.135 -13.503 9.921 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.198 -12.139 8.780 1.00 0.00 H new ATOM 0 HD13 LEU R 41 22.584 -13.247 8.920 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.535 -13.493 11.965 1.00 0.00 H new ATOM 0 HD22 LEU R 41 23.997 -13.224 10.987 1.00 0.00 H new ATOM 0 HD23 LEU R 41 23.603 -12.115 12.322 1.00 0.00 H new ATOM 632 N MET R 42 22.504 -7.450 10.047 1.00 0.00 N ATOM 633 CA MET R 42 22.206 -6.359 11.014 1.00 0.00 C ATOM 634 C MET R 42 21.108 -5.431 10.500 1.00 0.00 C ATOM 635 O MET R 42 20.207 -5.074 11.232 1.00 0.00 O ATOM 636 CB MET R 42 23.479 -5.526 11.211 1.00 0.00 C ATOM 637 CG MET R 42 23.194 -4.414 12.224 1.00 0.00 C ATOM 638 SD MET R 42 24.613 -3.556 12.944 1.00 0.00 S ATOM 639 CE MET R 42 23.763 -2.004 13.326 1.00 0.00 C ATOM 0 H MET R 42 23.034 -7.171 9.221 1.00 0.00 H new ATOM 0 HA MET R 42 21.868 -6.813 11.946 1.00 0.00 H new ATOM 0 HB2 MET R 42 24.292 -6.159 11.566 1.00 0.00 H new ATOM 0 HB3 MET R 42 23.799 -5.097 10.261 1.00 0.00 H new ATOM 0 HG2 MET R 42 22.563 -3.670 11.738 1.00 0.00 H new ATOM 0 HG3 MET R 42 22.611 -4.843 13.039 1.00 0.00 H new ATOM 0 HE1 MET R 42 24.464 -1.309 13.788 1.00 0.00 H new ATOM 0 HE2 MET R 42 23.372 -1.567 12.407 1.00 0.00 H new ATOM 0 HE3 MET R 42 22.940 -2.200 14.013 1.00 0.00 H new ATOM 649 N LEU R 43 21.205 -5.057 9.254 1.00 0.00 N ATOM 650 CA LEU R 43 20.185 -4.159 8.677 1.00 0.00 C ATOM 651 C LEU R 43 19.159 -4.928 7.846 1.00 0.00 C ATOM 652 O LEU R 43 18.023 -4.522 7.732 1.00 0.00 O ATOM 653 CB LEU R 43 20.923 -3.183 7.767 1.00 0.00 C ATOM 654 CG LEU R 43 21.575 -2.087 8.619 1.00 0.00 C ATOM 655 CD1 LEU R 43 22.861 -1.615 7.933 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.615 -0.901 8.750 1.00 0.00 C ATOM 0 H LEU R 43 21.949 -5.338 8.616 1.00 0.00 H new ATOM 0 HA LEU R 43 19.646 -3.655 9.479 1.00 0.00 H new ATOM 0 HB2 LEU R 43 21.682 -3.710 7.189 1.00 0.00 H new ATOM 0 HB3 LEU R 43 20.230 -2.739 7.052 1.00 0.00 H new ATOM 0 HG LEU R 43 21.804 -2.484 9.608 1.00 0.00 H new ATOM 0 HD11 LEU R 43 23.329 -0.836 8.534 1.00 0.00 H new ATOM 0 HD12 LEU R 43 23.548 -2.455 7.830 1.00 0.00 H new ATOM 0 HD13 LEU R 43 22.622 -1.218 6.946 1.00 0.00 H new ATOM 0 HD21 LEU R 43 21.079 -0.123 9.356 1.00 0.00 H new ATOM 0 HD22 LEU R 43 20.389 -0.504 7.760 1.00 0.00 H new ATOM 0 HD23 LEU R 43 19.692 -1.231 9.228 1.00 0.00 H new ATOM 668 N THR R 44 19.560 -6.029 7.285 1.00 0.00 N ATOM 669 CA THR R 44 18.590 -6.801 6.466 1.00 0.00 C ATOM 670 C THR R 44 17.979 -5.847 5.415 1.00 0.00 C ATOM 671 O THR R 44 18.307 -4.677 5.400 1.00 0.00 O ATOM 672 CB THR R 44 17.501 -7.391 7.394 1.00 0.00 C ATOM 673 OG1 THR R 44 16.382 -6.537 7.262 1.00 0.00 O ATOM 674 CG2 THR R 44 17.878 -7.296 8.887 1.00 0.00 C ATOM 0 H THR R 44 20.498 -6.423 7.354 1.00 0.00 H new ATOM 0 HA THR R 44 19.078 -7.628 5.951 1.00 0.00 H new ATOM 0 HB THR R 44 17.345 -8.434 7.120 1.00 0.00 H new ATOM 0 HG1 THR R 44 16.626 -5.632 7.548 1.00 0.00 H new ATOM 0 HG21 THR R 44 17.079 -7.724 9.492 1.00 0.00 H new ATOM 0 HG22 THR R 44 18.802 -7.846 9.065 1.00 0.00 H new ATOM 0 HG23 THR R 44 18.020 -6.250 9.161 1.00 0.00 H new ATOM 682 N PRO R 45 17.107 -6.336 4.554 1.00 0.00 N ATOM 683 CA PRO R 45 16.494 -5.477 3.521 1.00 0.00 C ATOM 684 C PRO R 45 15.577 -4.391 4.097 1.00 0.00 C ATOM 685 O PRO R 45 15.711 -3.224 3.775 1.00 0.00 O ATOM 686 CB PRO R 45 15.667 -6.444 2.655 1.00 0.00 C ATOM 687 CG PRO R 45 15.872 -7.872 3.217 1.00 0.00 C ATOM 688 CD PRO R 45 16.659 -7.744 4.525 1.00 0.00 C ATOM 0 HA PRO R 45 17.266 -4.939 2.971 1.00 0.00 H new ATOM 0 HB2 PRO R 45 14.612 -6.172 2.679 1.00 0.00 H new ATOM 0 HB3 PRO R 45 15.986 -6.393 1.614 1.00 0.00 H new ATOM 0 HG2 PRO R 45 14.911 -8.356 3.393 1.00 0.00 H new ATOM 0 HG3 PRO R 45 16.414 -8.491 2.502 1.00 0.00 H new ATOM 0 HD2 PRO R 45 16.035 -7.979 5.387 1.00 0.00 H new ATOM 0 HD3 PRO R 45 17.506 -8.430 4.547 1.00 0.00 H new ATOM 696 N ASP R 46 14.664 -4.792 4.935 1.00 0.00 N ATOM 697 CA ASP R 46 13.732 -3.800 5.535 1.00 0.00 C ATOM 698 C ASP R 46 14.447 -2.517 5.958 1.00 0.00 C ATOM 699 O ASP R 46 14.130 -1.446 5.476 1.00 0.00 O ATOM 700 CB ASP R 46 13.086 -4.430 6.772 1.00 0.00 C ATOM 701 CG ASP R 46 11.796 -3.677 7.103 1.00 0.00 C ATOM 702 OD1 ASP R 46 11.666 -2.575 6.594 1.00 0.00 O ATOM 703 OD2 ASP R 46 11.011 -4.247 7.845 1.00 0.00 O ATOM 0 H ASP R 46 14.523 -5.758 5.229 1.00 0.00 H new ATOM 0 HA ASP R 46 12.989 -3.536 4.782 1.00 0.00 H new ATOM 0 HB2 ASP R 46 12.870 -5.483 6.588 1.00 0.00 H new ATOM 0 HB3 ASP R 46 13.773 -4.388 7.617 1.00 0.00 H new ATOM 708 N GLU R 47 15.401 -2.640 6.839 1.00 0.00 N ATOM 709 CA GLU R 47 16.127 -1.421 7.288 1.00 0.00 C ATOM 710 C GLU R 47 17.170 -0.957 6.270 1.00 0.00 C ATOM 711 O GLU R 47 17.598 0.176 6.317 1.00 0.00 O ATOM 712 CB GLU R 47 16.826 -1.723 8.616 1.00 0.00 C ATOM 713 CG GLU R 47 15.826 -2.368 9.577 1.00 0.00 C ATOM 714 CD GLU R 47 16.384 -2.307 10.999 1.00 0.00 C ATOM 715 OE1 GLU R 47 16.308 -1.229 11.565 1.00 0.00 O ATOM 716 OE2 GLU R 47 16.857 -3.342 11.440 1.00 0.00 O ATOM 0 H GLU R 47 15.705 -3.517 7.261 1.00 0.00 H new ATOM 0 HA GLU R 47 15.396 -0.620 7.400 1.00 0.00 H new ATOM 0 HB2 GLU R 47 17.672 -2.390 8.452 1.00 0.00 H new ATOM 0 HB3 GLU R 47 17.223 -0.805 9.048 1.00 0.00 H new ATOM 0 HG2 GLU R 47 14.869 -1.849 9.527 1.00 0.00 H new ATOM 0 HG3 GLU R 47 15.643 -3.403 9.289 1.00 0.00 H new ATOM 723 N ARG R 48 17.581 -1.825 5.380 1.00 0.00 N ATOM 724 CA ARG R 48 18.596 -1.379 4.383 1.00 0.00 C ATOM 725 C ARG R 48 18.100 -0.114 3.699 1.00 0.00 C ATOM 726 O ARG R 48 18.815 0.864 3.593 1.00 0.00 O ATOM 727 CB ARG R 48 18.790 -2.459 3.312 1.00 0.00 C ATOM 728 CG ARG R 48 19.625 -1.871 2.168 1.00 0.00 C ATOM 729 CD ARG R 48 20.363 -3.000 1.442 1.00 0.00 C ATOM 730 NE ARG R 48 20.714 -2.541 0.067 1.00 0.00 N ATOM 731 CZ ARG R 48 21.821 -2.949 -0.484 1.00 0.00 C ATOM 732 NH1 ARG R 48 21.862 -4.143 -1.013 1.00 0.00 N ATOM 733 NH2 ARG R 48 22.855 -2.154 -0.494 1.00 0.00 N ATOM 0 H ARG R 48 17.269 -2.793 5.301 1.00 0.00 H new ATOM 0 HA ARG R 48 19.539 -1.195 4.897 1.00 0.00 H new ATOM 0 HB2 ARG R 48 19.291 -3.328 3.738 1.00 0.00 H new ATOM 0 HB3 ARG R 48 17.824 -2.799 2.939 1.00 0.00 H new ATOM 0 HG2 ARG R 48 18.980 -1.336 1.471 1.00 0.00 H new ATOM 0 HG3 ARG R 48 20.340 -1.148 2.560 1.00 0.00 H new ATOM 0 HD2 ARG R 48 21.265 -3.274 1.990 1.00 0.00 H new ATOM 0 HD3 ARG R 48 19.736 -3.890 1.394 1.00 0.00 H new ATOM 0 HE ARG R 48 20.091 -1.911 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG R 48 21.035 -4.740 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG R 48 22.721 -4.479 -1.449 1.00 0.00 H new ATOM 0 HH21 ARG R 48 22.790 -1.227 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG R 48 23.729 -2.459 -0.922 1.00 0.00 H new ATOM 747 N GLU R 49 16.878 -0.160 3.236 1.00 0.00 N ATOM 748 CA GLU R 49 16.318 1.035 2.558 1.00 0.00 C ATOM 749 C GLU R 49 16.424 2.238 3.485 1.00 0.00 C ATOM 750 O GLU R 49 16.285 3.370 3.067 1.00 0.00 O ATOM 751 CB GLU R 49 14.839 0.772 2.255 1.00 0.00 C ATOM 752 CG GLU R 49 14.496 1.346 0.880 1.00 0.00 C ATOM 753 CD GLU R 49 14.977 0.382 -0.205 1.00 0.00 C ATOM 754 OE1 GLU R 49 15.813 -0.439 0.133 1.00 0.00 O ATOM 755 OE2 GLU R 49 14.480 0.519 -1.309 1.00 0.00 O ATOM 0 H GLU R 49 16.254 -0.965 3.299 1.00 0.00 H new ATOM 0 HA GLU R 49 16.867 1.233 1.638 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.636 -0.299 2.276 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.212 1.230 3.020 1.00 0.00 H new ATOM 0 HG2 GLU R 49 13.420 1.499 0.795 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.968 2.320 0.752 1.00 0.00 H new ATOM 762 N ALA R 50 16.673 1.957 4.733 1.00 0.00 N ATOM 763 CA ALA R 50 16.797 3.054 5.722 1.00 0.00 C ATOM 764 C ALA R 50 18.216 3.610 5.746 1.00 0.00 C ATOM 765 O ALA R 50 18.403 4.805 5.857 1.00 0.00 O ATOM 766 CB ALA R 50 16.461 2.502 7.112 1.00 0.00 C ATOM 0 H ALA R 50 16.795 1.016 5.107 1.00 0.00 H new ATOM 0 HA ALA R 50 16.113 3.855 5.444 1.00 0.00 H new ATOM 0 HB1 ALA R 50 16.548 3.299 7.851 1.00 0.00 H new ATOM 0 HB2 ALA R 50 15.442 2.116 7.113 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.154 1.698 7.362 1.00 0.00 H new ATOM 772 N LEU R 51 19.196 2.740 5.649 1.00 0.00 N ATOM 773 CA LEU R 51 20.595 3.241 5.667 1.00 0.00 C ATOM 774 C LEU R 51 20.710 4.438 4.741 1.00 0.00 C ATOM 775 O LEU R 51 21.166 5.488 5.135 1.00 0.00 O ATOM 776 CB LEU R 51 21.547 2.151 5.165 1.00 0.00 C ATOM 777 CG LEU R 51 22.970 2.736 5.129 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.970 1.745 5.735 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.366 3.024 3.677 1.00 0.00 C ATOM 0 H LEU R 51 19.086 1.730 5.560 1.00 0.00 H new ATOM 0 HA LEU R 51 20.857 3.520 6.687 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.510 1.282 5.821 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.249 1.814 4.172 1.00 0.00 H new ATOM 0 HG LEU R 51 22.985 3.658 5.710 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.972 2.173 5.702 1.00 0.00 H new ATOM 0 HD12 LEU R 51 23.697 1.540 6.770 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.953 0.817 5.164 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.374 3.438 3.650 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.339 2.098 3.102 1.00 0.00 H new ATOM 0 HD23 LEU R 51 22.667 3.740 3.245 1.00 0.00 H new ATOM 791 N GLY R 52 20.289 4.248 3.518 1.00 0.00 N ATOM 792 CA GLY R 52 20.360 5.364 2.541 1.00 0.00 C ATOM 793 C GLY R 52 19.819 6.640 3.200 1.00 0.00 C ATOM 794 O GLY R 52 20.504 7.640 3.296 1.00 0.00 O ATOM 0 H GLY R 52 19.903 3.375 3.159 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.389 5.515 2.216 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.777 5.123 1.652 1.00 0.00 H new ATOM 798 N THR R 53 18.593 6.564 3.652 1.00 0.00 N ATOM 799 CA THR R 53 17.973 7.747 4.310 1.00 0.00 C ATOM 800 C THR R 53 18.802 8.188 5.515 1.00 0.00 C ATOM 801 O THR R 53 18.639 9.280 6.019 1.00 0.00 O ATOM 802 CB THR R 53 16.576 7.344 4.794 1.00 0.00 C ATOM 803 OG1 THR R 53 15.971 6.686 3.696 1.00 0.00 O ATOM 804 CG2 THR R 53 15.698 8.576 5.031 1.00 0.00 C ATOM 0 H THR R 53 17.999 5.737 3.593 1.00 0.00 H new ATOM 0 HA THR R 53 17.922 8.572 3.599 1.00 0.00 H new ATOM 0 HB THR R 53 16.663 6.756 5.708 1.00 0.00 H new ATOM 0 HG1 THR R 53 15.067 6.399 3.944 1.00 0.00 H new ATOM 0 HG21 THR R 53 14.713 8.260 5.374 1.00 0.00 H new ATOM 0 HG22 THR R 53 16.159 9.211 5.787 1.00 0.00 H new ATOM 0 HG23 THR R 53 15.597 9.135 4.101 1.00 0.00 H new ATOM 812 N ARG R 54 19.664 7.318 5.962 1.00 0.00 N ATOM 813 CA ARG R 54 20.513 7.665 7.131 1.00 0.00 C ATOM 814 C ARG R 54 21.752 8.438 6.682 1.00 0.00 C ATOM 815 O ARG R 54 21.937 9.579 7.060 1.00 0.00 O ATOM 816 CB ARG R 54 20.946 6.362 7.813 1.00 0.00 C ATOM 817 CG ARG R 54 20.979 6.572 9.331 1.00 0.00 C ATOM 818 CD ARG R 54 19.548 6.694 9.868 1.00 0.00 C ATOM 819 NE ARG R 54 19.291 5.568 10.808 1.00 0.00 N ATOM 820 CZ ARG R 54 18.214 5.580 11.544 1.00 0.00 C ATOM 821 NH1 ARG R 54 17.062 5.341 10.979 1.00 0.00 N ATOM 822 NH2 ARG R 54 18.325 5.826 12.822 1.00 0.00 N ATOM 0 H ARG R 54 19.816 6.388 5.570 1.00 0.00 H new ATOM 0 HA ARG R 54 19.947 8.291 7.820 1.00 0.00 H new ATOM 0 HB2 ARG R 54 20.254 5.558 7.560 1.00 0.00 H new ATOM 0 HB3 ARG R 54 21.930 6.060 7.455 1.00 0.00 H new ATOM 0 HG2 ARG R 54 21.488 5.737 9.812 1.00 0.00 H new ATOM 0 HG3 ARG R 54 21.546 7.472 9.571 1.00 0.00 H new ATOM 0 HD2 ARG R 54 19.416 7.649 10.377 1.00 0.00 H new ATOM 0 HD3 ARG R 54 18.833 6.670 9.046 1.00 0.00 H new ATOM 0 HE ARG R 54 19.952 4.794 10.876 1.00 0.00 H new ATOM 0 HH11 ARG R 54 17.015 5.149 9.978 1.00 0.00 H new ATOM 0 HH12 ARG R 54 16.209 5.346 11.538 1.00 0.00 H new ATOM 0 HH21 ARG R 54 19.243 6.005 13.229 1.00 0.00 H new ATOM 0 HH22 ARG R 54 17.494 5.839 13.413 1.00 0.00 H new ATOM 836 N VAL R 55 22.589 7.804 5.895 1.00 0.00 N ATOM 837 CA VAL R 55 23.812 8.511 5.424 1.00 0.00 C ATOM 838 C VAL R 55 23.441 9.919 4.962 1.00 0.00 C ATOM 839 O VAL R 55 24.253 10.823 4.973 1.00 0.00 O ATOM 840 CB VAL R 55 24.402 7.750 4.225 1.00 0.00 C ATOM 841 CG1 VAL R 55 23.278 7.338 3.276 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.367 8.670 3.474 1.00 0.00 C ATOM 0 H VAL R 55 22.478 6.845 5.566 1.00 0.00 H new ATOM 0 HA VAL R 55 24.535 8.562 6.238 1.00 0.00 H new ATOM 0 HB VAL R 55 24.926 6.863 4.582 1.00 0.00 H new ATOM 0 HG11 VAL R 55 23.698 6.799 2.427 1.00 0.00 H new ATOM 0 HG12 VAL R 55 22.575 6.693 3.803 1.00 0.00 H new ATOM 0 HG13 VAL R 55 22.758 8.227 2.920 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.789 8.137 2.622 1.00 0.00 H new ATOM 0 HG22 VAL R 55 24.830 9.550 3.121 1.00 0.00 H new ATOM 0 HG23 VAL R 55 26.170 8.979 4.143 1.00 0.00 H new ATOM 852 N ARG R 56 22.203 10.063 4.570 1.00 0.00 N ATOM 853 CA ARG R 56 21.717 11.387 4.096 1.00 0.00 C ATOM 854 C ARG R 56 21.822 12.461 5.183 1.00 0.00 C ATOM 855 O ARG R 56 22.505 13.451 5.011 1.00 0.00 O ATOM 856 CB ARG R 56 20.241 11.230 3.708 1.00 0.00 C ATOM 857 CG ARG R 56 19.587 12.611 3.625 1.00 0.00 C ATOM 858 CD ARG R 56 18.353 12.524 2.725 1.00 0.00 C ATOM 859 NE ARG R 56 18.783 12.159 1.343 1.00 0.00 N ATOM 860 CZ ARG R 56 17.996 12.412 0.336 1.00 0.00 C ATOM 861 NH1 ARG R 56 17.104 11.524 -0.010 1.00 0.00 N ATOM 862 NH2 ARG R 56 18.120 13.550 -0.292 1.00 0.00 N ATOM 0 H ARG R 56 21.507 9.317 4.558 1.00 0.00 H new ATOM 0 HA ARG R 56 22.333 11.703 3.254 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.158 10.718 2.749 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.724 10.614 4.444 1.00 0.00 H new ATOM 0 HG2 ARG R 56 19.304 12.954 4.620 1.00 0.00 H new ATOM 0 HG3 ARG R 56 20.293 13.339 3.226 1.00 0.00 H new ATOM 0 HD2 ARG R 56 17.657 11.779 3.112 1.00 0.00 H new ATOM 0 HD3 ARG R 56 17.826 13.478 2.716 1.00 0.00 H new ATOM 0 HE ARG R 56 19.688 11.714 1.188 1.00 0.00 H new ATOM 0 HH11 ARG R 56 17.031 10.647 0.506 1.00 0.00 H new ATOM 0 HH12 ARG R 56 16.480 11.707 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG R 56 18.824 14.224 0.008 1.00 0.00 H new ATOM 0 HH22 ARG R 56 17.512 13.765 -1.083 1.00 0.00 H new ATOM 876 N ILE R 57 21.146 12.248 6.283 1.00 0.00 N ATOM 877 CA ILE R 57 21.199 13.246 7.375 1.00 0.00 C ATOM 878 C ILE R 57 22.634 13.735 7.631 1.00 0.00 C ATOM 879 O ILE R 57 22.897 14.916 7.553 1.00 0.00 O ATOM 880 CB ILE R 57 20.560 12.624 8.626 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.565 11.873 9.490 1.00 0.00 C ATOM 882 CG2 ILE R 57 19.489 11.623 8.166 1.00 0.00 C ATOM 883 CD1 ILE R 57 20.805 11.199 10.629 1.00 0.00 C ATOM 0 H ILE R 57 20.565 11.429 6.465 1.00 0.00 H new ATOM 0 HA ILE R 57 20.636 14.135 7.091 1.00 0.00 H new ATOM 0 HB ILE R 57 20.145 13.435 9.225 1.00 0.00 H new ATOM 0 HG12 ILE R 57 22.097 11.130 8.896 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.313 12.559 9.886 1.00 0.00 H new ATOM 0 HG21 ILE R 57 19.019 11.167 9.037 1.00 0.00 H new ATOM 0 HG22 ILE R 57 18.733 12.143 7.577 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.953 10.848 7.556 1.00 0.00 H new ATOM 0 HD11 ILE R 57 21.506 10.654 11.262 1.00 0.00 H new ATOM 0 HD12 ILE R 57 20.293 11.956 11.223 1.00 0.00 H new ATOM 0 HD13 ILE R 57 20.073 10.505 10.217 1.00 0.00 H new ATOM 895 N VAL R 58 23.538 12.841 7.926 1.00 0.00 N ATOM 896 CA VAL R 58 24.938 13.281 8.176 1.00 0.00 C ATOM 897 C VAL R 58 25.412 14.216 7.056 1.00 0.00 C ATOM 898 O VAL R 58 25.739 15.372 7.283 1.00 0.00 O ATOM 899 CB VAL R 58 25.823 12.027 8.176 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.291 12.440 8.236 1.00 0.00 C ATOM 901 CG2 VAL R 58 25.489 11.174 9.402 1.00 0.00 C ATOM 0 H VAL R 58 23.371 11.838 8.004 1.00 0.00 H new ATOM 0 HA VAL R 58 24.996 13.813 9.126 1.00 0.00 H new ATOM 0 HB VAL R 58 25.642 11.453 7.267 1.00 0.00 H new ATOM 0 HG11 VAL R 58 27.920 11.550 8.236 1.00 0.00 H new ATOM 0 HG12 VAL R 58 27.532 13.054 7.368 1.00 0.00 H new ATOM 0 HG13 VAL R 58 27.471 13.011 9.147 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.115 10.282 9.406 1.00 0.00 H new ATOM 0 HG22 VAL R 58 25.674 11.751 10.308 1.00 0.00 H new ATOM 0 HG23 VAL R 58 24.440 10.880 9.366 1.00 0.00 H new ATOM 911 N GLU R 59 25.422 13.687 5.863 1.00 0.00 N ATOM 912 CA GLU R 59 25.863 14.485 4.686 1.00 0.00 C ATOM 913 C GLU R 59 25.278 15.900 4.686 1.00 0.00 C ATOM 914 O GLU R 59 25.969 16.850 4.382 1.00 0.00 O ATOM 915 CB GLU R 59 25.381 13.753 3.426 1.00 0.00 C ATOM 916 CG GLU R 59 26.087 14.329 2.195 1.00 0.00 C ATOM 917 CD GLU R 59 26.998 13.259 1.591 1.00 0.00 C ATOM 918 OE1 GLU R 59 26.448 12.388 0.935 1.00 0.00 O ATOM 919 OE2 GLU R 59 28.191 13.369 1.821 1.00 0.00 O ATOM 0 H GLU R 59 25.141 12.729 5.653 1.00 0.00 H new ATOM 0 HA GLU R 59 26.948 14.582 4.719 1.00 0.00 H new ATOM 0 HB2 GLU R 59 25.589 12.686 3.511 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.301 13.860 3.322 1.00 0.00 H new ATOM 0 HG2 GLU R 59 25.352 14.656 1.459 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.671 15.206 2.473 1.00 0.00 H new ATOM 926 N GLU R 60 24.022 16.019 5.021 1.00 0.00 N ATOM 927 CA GLU R 60 23.403 17.377 5.034 1.00 0.00 C ATOM 928 C GLU R 60 23.811 18.169 6.276 1.00 0.00 C ATOM 929 O GLU R 60 24.159 19.329 6.183 1.00 0.00 O ATOM 930 CB GLU R 60 21.878 17.218 5.039 1.00 0.00 C ATOM 931 CG GLU R 60 21.231 18.606 5.045 1.00 0.00 C ATOM 932 CD GLU R 60 20.693 18.910 6.444 1.00 0.00 C ATOM 933 OE1 GLU R 60 21.515 19.255 7.277 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.489 18.782 6.601 1.00 0.00 O ATOM 0 H GLU R 60 23.406 15.249 5.282 1.00 0.00 H new ATOM 0 HA GLU R 60 23.745 17.918 4.152 1.00 0.00 H new ATOM 0 HB2 GLU R 60 21.555 16.656 4.162 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.562 16.652 5.915 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.961 19.361 4.752 1.00 0.00 H new ATOM 0 HG3 GLU R 60 20.422 18.645 4.316 1.00 0.00 H new ATOM 941 N LEU R 61 23.755 17.532 7.412 1.00 0.00 N ATOM 942 CA LEU R 61 24.137 18.243 8.661 1.00 0.00 C ATOM 943 C LEU R 61 25.532 18.848 8.549 1.00 0.00 C ATOM 944 O LEU R 61 25.929 19.615 9.402 1.00 0.00 O ATOM 945 CB LEU R 61 24.125 17.240 9.821 1.00 0.00 C ATOM 946 CG LEU R 61 22.675 16.943 10.214 1.00 0.00 C ATOM 947 CD1 LEU R 61 22.617 15.592 10.926 1.00 0.00 C ATOM 948 CD2 LEU R 61 22.160 18.028 11.168 1.00 0.00 C ATOM 0 H LEU R 61 23.465 16.561 7.529 1.00 0.00 H new ATOM 0 HA LEU R 61 23.424 19.049 8.833 1.00 0.00 H new ATOM 0 HB2 LEU R 61 24.631 16.320 9.527 1.00 0.00 H new ATOM 0 HB3 LEU R 61 24.670 17.645 10.674 1.00 0.00 H new ATOM 0 HG LEU R 61 22.056 16.924 9.317 1.00 0.00 H new ATOM 0 HD11 LEU R 61 21.587 15.374 11.209 1.00 0.00 H new ATOM 0 HD12 LEU R 61 22.983 14.812 10.258 1.00 0.00 H new ATOM 0 HD13 LEU R 61 23.240 15.625 11.820 1.00 0.00 H new ATOM 0 HD21 LEU R 61 21.128 17.810 11.443 1.00 0.00 H new ATOM 0 HD22 LEU R 61 22.779 18.047 12.065 1.00 0.00 H new ATOM 0 HD23 LEU R 61 22.207 18.999 10.674 1.00 0.00 H new ATOM 1426 N PRO R 93 24.511 17.744 21.076 1.00 0.00 N ATOM 1427 CA PRO R 93 24.798 17.063 19.802 1.00 0.00 C ATOM 1428 C PRO R 93 26.054 17.651 19.168 1.00 0.00 C ATOM 1429 O PRO R 93 26.691 17.031 18.338 1.00 0.00 O ATOM 1430 CB PRO R 93 23.582 17.376 18.914 1.00 0.00 C ATOM 1431 CG PRO R 93 22.684 18.380 19.682 1.00 0.00 C ATOM 1432 CD PRO R 93 23.327 18.627 21.055 1.00 0.00 C ATOM 0 HA PRO R 93 24.963 15.993 19.932 1.00 0.00 H new ATOM 0 HB2 PRO R 93 23.902 17.800 17.962 1.00 0.00 H new ATOM 0 HB3 PRO R 93 23.029 16.464 18.687 1.00 0.00 H new ATOM 0 HG2 PRO R 93 22.595 19.314 19.128 1.00 0.00 H new ATOM 0 HG3 PRO R 93 21.676 17.981 19.798 1.00 0.00 H new ATOM 0 HD2 PRO R 93 23.610 19.672 21.178 1.00 0.00 H new ATOM 0 HD3 PRO R 93 22.638 18.386 21.865 1.00 0.00 H new ATOM 1440 N VAL R 94 26.377 18.848 19.578 1.00 0.00 N ATOM 1441 CA VAL R 94 27.577 19.520 19.034 1.00 0.00 C ATOM 1442 C VAL R 94 28.787 18.607 19.161 1.00 0.00 C ATOM 1443 O VAL R 94 29.777 18.785 18.480 1.00 0.00 O ATOM 1444 CB VAL R 94 27.819 20.799 19.851 1.00 0.00 C ATOM 1445 CG1 VAL R 94 27.367 22.022 19.047 1.00 0.00 C ATOM 1446 CG2 VAL R 94 27.019 20.744 21.156 1.00 0.00 C ATOM 0 H VAL R 94 25.855 19.386 20.269 1.00 0.00 H new ATOM 0 HA VAL R 94 27.425 19.758 17.981 1.00 0.00 H new ATOM 0 HB VAL R 94 28.883 20.875 20.074 1.00 0.00 H new ATOM 0 HG11 VAL R 94 27.541 22.926 19.631 1.00 0.00 H new ATOM 0 HG12 VAL R 94 27.934 22.076 18.117 1.00 0.00 H new ATOM 0 HG13 VAL R 94 26.304 21.936 18.820 1.00 0.00 H new ATOM 0 HG21 VAL R 94 27.196 21.654 21.730 1.00 0.00 H new ATOM 0 HG22 VAL R 94 25.956 20.659 20.928 1.00 0.00 H new ATOM 0 HG23 VAL R 94 27.335 19.880 21.740 1.00 0.00 H new ATOM 1456 N GLU R 95 28.683 17.642 20.031 1.00 0.00 N ATOM 1457 CA GLU R 95 29.819 16.707 20.213 1.00 0.00 C ATOM 1458 C GLU R 95 30.001 15.875 18.947 1.00 0.00 C ATOM 1459 O GLU R 95 30.865 15.024 18.872 1.00 0.00 O ATOM 1460 CB GLU R 95 29.498 15.775 21.391 1.00 0.00 C ATOM 1461 CG GLU R 95 30.690 15.737 22.352 1.00 0.00 C ATOM 1462 CD GLU R 95 30.322 14.894 23.574 1.00 0.00 C ATOM 1463 OE1 GLU R 95 29.796 13.816 23.351 1.00 0.00 O ATOM 1464 OE2 GLU R 95 30.586 15.376 24.663 1.00 0.00 O ATOM 0 H GLU R 95 27.868 17.464 20.617 1.00 0.00 H new ATOM 0 HA GLU R 95 30.734 17.265 20.411 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.607 16.125 21.913 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.280 14.772 21.026 1.00 0.00 H new ATOM 0 HG2 GLU R 95 31.562 15.315 21.853 1.00 0.00 H new ATOM 0 HG3 GLU R 95 30.957 16.748 22.659 1.00 0.00 H new ATOM 1471 N LEU R 96 29.171 16.146 17.974 1.00 0.00 N ATOM 1472 CA LEU R 96 29.266 15.394 16.697 1.00 0.00 C ATOM 1473 C LEU R 96 30.125 16.156 15.696 1.00 0.00 C ATOM 1474 O LEU R 96 30.980 15.585 15.046 1.00 0.00 O ATOM 1475 CB LEU R 96 27.844 15.220 16.131 1.00 0.00 C ATOM 1476 CG LEU R 96 27.905 14.622 14.719 1.00 0.00 C ATOM 1477 CD1 LEU R 96 28.768 13.359 14.729 1.00 0.00 C ATOM 1478 CD2 LEU R 96 26.490 14.246 14.271 1.00 0.00 C ATOM 0 H LEU R 96 28.436 16.853 18.012 1.00 0.00 H new ATOM 0 HA LEU R 96 29.726 14.422 16.876 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.262 14.570 16.784 1.00 0.00 H new ATOM 0 HB3 LEU R 96 27.335 16.183 16.104 1.00 0.00 H new ATOM 0 HG LEU R 96 28.335 15.355 14.037 1.00 0.00 H new ATOM 0 HD11 LEU R 96 28.808 12.938 13.724 1.00 0.00 H new ATOM 0 HD12 LEU R 96 29.776 13.610 15.058 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.335 12.628 15.412 1.00 0.00 H new ATOM 0 HD21 LEU R 96 26.527 13.820 13.268 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.073 13.513 14.961 1.00 0.00 H new ATOM 0 HD23 LEU R 96 25.862 15.137 14.264 1.00 0.00 H new ATOM 1490 N ARG R 97 29.894 17.433 15.594 1.00 0.00 N ATOM 1491 CA ARG R 97 30.691 18.224 14.647 1.00 0.00 C ATOM 1492 C ARG R 97 32.165 17.918 14.871 1.00 0.00 C ATOM 1493 O ARG R 97 32.993 18.114 14.002 1.00 0.00 O ATOM 1494 CB ARG R 97 30.426 19.705 14.925 1.00 0.00 C ATOM 1495 CG ARG R 97 28.913 19.954 14.964 1.00 0.00 C ATOM 1496 CD ARG R 97 28.639 21.454 15.100 1.00 0.00 C ATOM 1497 NE ARG R 97 27.563 21.837 14.142 1.00 0.00 N ATOM 1498 CZ ARG R 97 26.343 21.997 14.581 1.00 0.00 C ATOM 1499 NH1 ARG R 97 25.901 21.205 15.521 1.00 0.00 N ATOM 1500 NH2 ARG R 97 25.605 22.938 14.061 1.00 0.00 N ATOM 0 H ARG R 97 29.193 17.951 16.124 1.00 0.00 H new ATOM 0 HA ARG R 97 30.424 17.983 13.618 1.00 0.00 H new ATOM 0 HB2 ARG R 97 30.878 19.995 15.874 1.00 0.00 H new ATOM 0 HB3 ARG R 97 30.887 20.320 14.152 1.00 0.00 H new ATOM 0 HG2 ARG R 97 28.448 19.571 14.056 1.00 0.00 H new ATOM 0 HG3 ARG R 97 28.468 19.416 15.801 1.00 0.00 H new ATOM 0 HD2 ARG R 97 28.337 21.691 16.120 1.00 0.00 H new ATOM 0 HD3 ARG R 97 29.546 22.023 14.895 1.00 0.00 H new ATOM 0 HE ARG R 97 27.777 21.973 13.154 1.00 0.00 H new ATOM 0 HH11 ARG R 97 26.506 20.476 15.900 1.00 0.00 H new ATOM 0 HH12 ARG R 97 24.951 21.315 15.876 1.00 0.00 H new ATOM 0 HH21 ARG R 97 25.983 23.534 13.324 1.00 0.00 H new ATOM 0 HH22 ARG R 97 24.650 23.078 14.391 1.00 0.00 H new ATOM 1514 N GLN R 98 32.453 17.435 16.050 1.00 0.00 N ATOM 1515 CA GLN R 98 33.848 17.093 16.393 1.00 0.00 C ATOM 1516 C GLN R 98 34.448 16.162 15.342 1.00 0.00 C ATOM 1517 O GLN R 98 35.372 16.527 14.643 1.00 0.00 O ATOM 1518 CB GLN R 98 33.814 16.364 17.733 1.00 0.00 C ATOM 1519 CG GLN R 98 33.431 17.353 18.834 1.00 0.00 C ATOM 1520 CD GLN R 98 34.690 18.030 19.383 1.00 0.00 C ATOM 1521 OE1 GLN R 98 35.646 18.265 18.670 1.00 0.00 O ATOM 1522 NE2 GLN R 98 34.732 18.360 20.646 1.00 0.00 N ATOM 0 H GLN R 98 31.772 17.264 16.790 1.00 0.00 H new ATOM 0 HA GLN R 98 34.455 17.998 16.438 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.095 15.545 17.697 1.00 0.00 H new ATOM 0 HB3 GLN R 98 34.788 15.924 17.946 1.00 0.00 H new ATOM 0 HG2 GLN R 98 32.746 18.103 18.439 1.00 0.00 H new ATOM 0 HG3 GLN R 98 32.907 16.833 19.636 1.00 0.00 H new ATOM 0 HE21 GLN R 98 33.934 18.166 21.251 1.00 0.00 H new ATOM 0 HE22 GLN R 98 35.563 18.812 21.028 1.00 0.00 H new ATOM 1531 N TRP R 99 33.910 14.972 15.247 1.00 0.00 N ATOM 1532 CA TRP R 99 34.456 14.021 14.236 1.00 0.00 C ATOM 1533 C TRP R 99 33.955 14.373 12.841 1.00 0.00 C ATOM 1534 O TRP R 99 34.726 14.582 11.916 1.00 0.00 O ATOM 1535 CB TRP R 99 33.991 12.579 14.524 1.00 0.00 C ATOM 1536 CG TRP R 99 34.614 11.720 13.461 1.00 0.00 C ATOM 1537 CD1 TRP R 99 35.934 11.508 13.345 1.00 0.00 C ATOM 1538 CD2 TRP R 99 33.948 11.039 12.547 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.022 10.665 12.335 1.00 0.00 N ATOM 1540 CE2 TRP R 99 34.842 10.321 11.785 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.588 10.955 12.269 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.403 9.530 10.783 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.158 10.148 11.249 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.068 9.439 10.513 1.00 0.00 C ATOM 0 H TRP R 99 33.135 14.625 15.812 1.00 0.00 H new ATOM 0 HA TRP R 99 35.542 14.093 14.292 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.306 12.259 15.517 1.00 0.00 H new ATOM 0 HB3 TRP R 99 32.904 12.507 14.495 1.00 0.00 H new ATOM 0 HD1 TRP R 99 36.733 11.928 13.938 1.00 0.00 H new ATOM 0 HE1 TRP R 99 36.913 10.302 11.997 1.00 0.00 H new ATOM 0 HE3 TRP R 99 31.877 11.521 12.852 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.111 8.967 10.193 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.104 10.072 11.026 1.00 0.00 H new ATOM 0 HH2 TRP R 99 32.727 8.801 9.711 1.00 0.00 H new ATOM 1555 N LEU R 100 32.661 14.410 12.728 1.00 0.00 N ATOM 1556 CA LEU R 100 32.020 14.740 11.427 1.00 0.00 C ATOM 1557 C LEU R 100 32.807 15.781 10.631 1.00 0.00 C ATOM 1558 O LEU R 100 32.777 15.784 9.416 1.00 0.00 O ATOM 1559 CB LEU R 100 30.637 15.294 11.723 1.00 0.00 C ATOM 1560 CG LEU R 100 29.697 14.851 10.604 1.00 0.00 C ATOM 1561 CD1 LEU R 100 29.315 13.380 10.798 1.00 0.00 C ATOM 1562 CD2 LEU R 100 28.437 15.703 10.652 1.00 0.00 C ATOM 0 H LEU R 100 32.010 14.223 13.491 1.00 0.00 H new ATOM 0 HA LEU R 100 31.981 13.833 10.823 1.00 0.00 H new ATOM 0 HB2 LEU R 100 30.280 14.930 12.686 1.00 0.00 H new ATOM 0 HB3 LEU R 100 30.668 16.382 11.785 1.00 0.00 H new ATOM 0 HG LEU R 100 30.196 14.970 9.642 1.00 0.00 H new ATOM 0 HD11 LEU R 100 28.644 13.070 9.997 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.214 12.765 10.777 1.00 0.00 H new ATOM 0 HD13 LEU R 100 28.814 13.258 11.758 1.00 0.00 H new ATOM 0 HD21 LEU R 100 27.759 15.395 9.856 1.00 0.00 H new ATOM 0 HD22 LEU R 100 27.947 15.574 11.617 1.00 0.00 H new ATOM 0 HD23 LEU R 100 28.702 16.752 10.517 1.00 0.00 H new ATOM 1574 N GLU R 101 33.498 16.642 11.323 1.00 0.00 N ATOM 1575 CA GLU R 101 34.281 17.679 10.617 1.00 0.00 C ATOM 1576 C GLU R 101 35.587 17.107 10.058 1.00 0.00 C ATOM 1577 O GLU R 101 36.013 17.466 8.978 1.00 0.00 O ATOM 1578 CB GLU R 101 34.618 18.766 11.639 1.00 0.00 C ATOM 1579 CG GLU R 101 35.461 19.839 10.965 1.00 0.00 C ATOM 1580 CD GLU R 101 34.893 21.215 11.317 1.00 0.00 C ATOM 1581 OE1 GLU R 101 34.947 21.536 12.493 1.00 0.00 O ATOM 1582 OE2 GLU R 101 34.437 21.866 10.392 1.00 0.00 O ATOM 0 H GLU R 101 33.551 16.669 12.341 1.00 0.00 H new ATOM 0 HA GLU R 101 33.699 18.069 9.782 1.00 0.00 H new ATOM 0 HB2 GLU R 101 33.703 19.203 12.039 1.00 0.00 H new ATOM 0 HB3 GLU R 101 35.160 18.336 12.481 1.00 0.00 H new ATOM 0 HG2 GLU R 101 36.498 19.765 11.294 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.458 19.696 9.884 1.00 0.00 H new ATOM 1589 N GLU R 102 36.189 16.227 10.806 1.00 0.00 N ATOM 1590 CA GLU R 102 37.466 15.615 10.347 1.00 0.00 C ATOM 1591 C GLU R 102 37.254 14.579 9.239 1.00 0.00 C ATOM 1592 O GLU R 102 38.212 14.131 8.639 1.00 0.00 O ATOM 1593 CB GLU R 102 38.111 14.910 11.547 1.00 0.00 C ATOM 1594 CG GLU R 102 38.560 15.951 12.575 1.00 0.00 C ATOM 1595 CD GLU R 102 40.070 15.822 12.793 1.00 0.00 C ATOM 1596 OE1 GLU R 102 40.428 14.983 13.603 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.779 16.567 12.136 1.00 0.00 O ATOM 0 H GLU R 102 35.853 15.905 11.714 1.00 0.00 H new ATOM 0 HA GLU R 102 38.096 16.408 9.945 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.400 14.219 12.001 1.00 0.00 H new ATOM 0 HB3 GLU R 102 38.965 14.318 11.218 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.315 16.954 12.226 1.00 0.00 H new ATOM 0 HG3 GLU R 102 38.030 15.803 13.516 1.00 0.00 H new ATOM 1604 N VAL R 103 36.021 14.206 8.990 1.00 0.00 N ATOM 1605 CA VAL R 103 35.771 13.192 7.911 1.00 0.00 C ATOM 1606 C VAL R 103 35.180 13.805 6.639 1.00 0.00 C ATOM 1607 O VAL R 103 35.482 13.361 5.548 1.00 0.00 O ATOM 1608 CB VAL R 103 34.767 12.157 8.443 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.650 12.881 9.182 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.157 11.380 7.273 1.00 0.00 C ATOM 0 H VAL R 103 35.192 14.550 9.474 1.00 0.00 H new ATOM 0 HA VAL R 103 36.733 12.749 7.653 1.00 0.00 H new ATOM 0 HB VAL R 103 35.281 11.468 9.114 1.00 0.00 H new ATOM 0 HG11 VAL R 103 32.934 12.153 9.562 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.071 13.445 10.014 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.145 13.564 8.499 1.00 0.00 H new ATOM 0 HG21 VAL R 103 33.446 10.647 7.654 1.00 0.00 H new ATOM 0 HG22 VAL R 103 33.643 12.072 6.606 1.00 0.00 H new ATOM 0 HG23 VAL R 103 34.948 10.867 6.725 1.00 0.00 H new ATOM 1620 N LEU R 104 34.366 14.816 6.789 1.00 0.00 N ATOM 1621 CA LEU R 104 33.757 15.447 5.581 1.00 0.00 C ATOM 1622 C LEU R 104 34.494 16.699 5.102 1.00 0.00 C ATOM 1623 O LEU R 104 35.051 16.713 4.024 1.00 0.00 O ATOM 1624 CB LEU R 104 32.316 15.836 5.937 1.00 0.00 C ATOM 1625 CG LEU R 104 31.373 14.702 5.524 1.00 0.00 C ATOM 1626 CD1 LEU R 104 30.101 14.752 6.379 1.00 0.00 C ATOM 1627 CD2 LEU R 104 30.995 14.881 4.053 1.00 0.00 C ATOM 0 H LEU R 104 34.099 15.228 7.683 1.00 0.00 H new ATOM 0 HA LEU R 104 33.812 14.723 4.768 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.231 16.024 7.007 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.039 16.759 5.428 1.00 0.00 H new ATOM 0 HG LEU R 104 31.870 13.743 5.669 1.00 0.00 H new ATOM 0 HD11 LEU R 104 29.432 13.944 6.083 1.00 0.00 H new ATOM 0 HD12 LEU R 104 30.365 14.638 7.430 1.00 0.00 H new ATOM 0 HD13 LEU R 104 29.601 15.709 6.232 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.323 14.078 3.750 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.496 15.841 3.920 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.896 14.852 3.440 1.00 0.00 H new ATOM 1639 N LEU R 105 34.480 17.727 5.899 1.00 0.00 N ATOM 1640 CA LEU R 105 35.176 18.976 5.482 1.00 0.00 C ATOM 1641 C LEU R 105 36.678 18.773 5.289 1.00 0.00 C ATOM 1642 O LEU R 105 37.202 19.043 4.227 1.00 0.00 O ATOM 1643 CB LEU R 105 34.955 20.037 6.563 1.00 0.00 C ATOM 1644 CG LEU R 105 35.249 21.418 5.972 1.00 0.00 C ATOM 1645 CD1 LEU R 105 33.984 21.963 5.301 1.00 0.00 C ATOM 1646 CD2 LEU R 105 35.669 22.366 7.096 1.00 0.00 C ATOM 0 H LEU R 105 34.023 17.760 6.811 1.00 0.00 H new ATOM 0 HA LEU R 105 34.762 19.286 4.523 1.00 0.00 H new ATOM 0 HB2 LEU R 105 33.929 19.994 6.928 1.00 0.00 H new ATOM 0 HB3 LEU R 105 35.606 19.846 7.417 1.00 0.00 H new ATOM 0 HG LEU R 105 36.049 21.339 5.236 1.00 0.00 H new ATOM 0 HD11 LEU R 105 34.191 22.947 4.879 1.00 0.00 H new ATOM 0 HD12 LEU R 105 33.673 21.285 4.506 1.00 0.00 H new ATOM 0 HD13 LEU R 105 33.187 22.045 6.040 1.00 0.00 H new ATOM 0 HD21 LEU R 105 35.880 23.352 6.681 1.00 0.00 H new ATOM 0 HD22 LEU R 105 34.863 22.444 7.826 1.00 0.00 H new ATOM 0 HD23 LEU R 105 36.564 21.979 7.583 1.00 0.00 H new ATOM 1871 N HIS S 16 22.829 0.414 -5.141 1.00 0.00 N ATOM 1872 CA HIS S 16 23.812 -0.276 -4.261 1.00 0.00 C ATOM 1873 C HIS S 16 25.176 0.394 -4.384 1.00 0.00 C ATOM 1874 O HIS S 16 26.197 -0.203 -4.104 1.00 0.00 O ATOM 1875 CB HIS S 16 23.936 -1.735 -4.720 1.00 0.00 C ATOM 1876 CG HIS S 16 24.979 -1.829 -5.836 1.00 0.00 C ATOM 1877 ND1 HIS S 16 25.058 -1.046 -6.828 1.00 0.00 N ATOM 1878 CD2 HIS S 16 26.010 -2.734 -6.011 1.00 0.00 C ATOM 1879 CE1 HIS S 16 26.031 -1.380 -7.590 1.00 0.00 C ATOM 1880 NE2 HIS S 16 26.680 -2.440 -7.137 1.00 0.00 N ATOM 0 HA HIS S 16 23.476 -0.225 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS S 16 24.226 -2.368 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS S 16 22.972 -2.099 -5.076 1.00 0.00 H new ATOM 0 HD1 HIS S 16 24.433 -0.258 -6.997 1.00 0.00 H new ATOM 0 HD2 HIS S 16 26.241 -3.552 -5.344 1.00 0.00 H new ATOM 0 HE1 HIS S 16 26.292 -0.857 -8.498 1.00 0.00 H new ATOM 1888 N GLN S 17 25.160 1.632 -4.799 1.00 0.00 N ATOM 1889 CA GLN S 17 26.431 2.375 -4.957 1.00 0.00 C ATOM 1890 C GLN S 17 26.939 2.915 -3.618 1.00 0.00 C ATOM 1891 O GLN S 17 27.971 2.498 -3.132 1.00 0.00 O ATOM 1892 CB GLN S 17 26.155 3.553 -5.896 1.00 0.00 C ATOM 1893 CG GLN S 17 27.376 4.465 -5.929 1.00 0.00 C ATOM 1894 CD GLN S 17 27.417 5.215 -7.264 1.00 0.00 C ATOM 1895 OE1 GLN S 17 27.878 4.701 -8.263 1.00 0.00 O ATOM 1896 NE2 GLN S 17 26.943 6.429 -7.323 1.00 0.00 N ATOM 0 H GLN S 17 24.318 2.157 -5.034 1.00 0.00 H new ATOM 0 HA GLN S 17 27.194 1.706 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.931 3.189 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN S 17 25.281 4.108 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN S 17 27.336 5.174 -5.102 1.00 0.00 H new ATOM 0 HG3 GLN S 17 28.285 3.878 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN S 17 26.554 6.866 -6.487 1.00 0.00 H new ATOM 0 HE22 GLN S 17 26.961 6.941 -8.205 1.00 0.00 H new ATOM 1905 N GLU S 18 26.204 3.831 -3.048 1.00 0.00 N ATOM 1906 CA GLU S 18 26.635 4.407 -1.744 1.00 0.00 C ATOM 1907 C GLU S 18 26.661 3.353 -0.634 1.00 0.00 C ATOM 1908 O GLU S 18 27.235 3.577 0.413 1.00 0.00 O ATOM 1909 CB GLU S 18 25.649 5.518 -1.354 1.00 0.00 C ATOM 1910 CG GLU S 18 24.218 4.986 -1.435 1.00 0.00 C ATOM 1911 CD GLU S 18 23.462 5.737 -2.533 1.00 0.00 C ATOM 1912 OE1 GLU S 18 23.878 5.597 -3.671 1.00 0.00 O ATOM 1913 OE2 GLU S 18 22.510 6.409 -2.170 1.00 0.00 O ATOM 0 H GLU S 18 25.332 4.202 -3.425 1.00 0.00 H new ATOM 0 HA GLU S 18 27.647 4.796 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU S 18 25.861 5.868 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU S 18 25.768 6.373 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU S 18 24.226 3.917 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.715 5.115 -0.477 1.00 0.00 H new ATOM 1920 N TRP S 19 26.046 2.227 -0.878 1.00 0.00 N ATOM 1921 CA TRP S 19 26.040 1.167 0.167 1.00 0.00 C ATOM 1922 C TRP S 19 27.465 0.800 0.576 1.00 0.00 C ATOM 1923 O TRP S 19 27.675 0.184 1.601 1.00 0.00 O ATOM 1924 CB TRP S 19 25.346 -0.076 -0.408 1.00 0.00 C ATOM 1925 CG TRP S 19 25.549 -1.242 0.556 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.441 -2.232 0.384 1.00 0.00 C ATOM 1927 CD2 TRP S 19 24.915 -1.393 1.717 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.315 -2.962 1.490 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.389 -2.512 2.371 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.899 -0.646 2.291 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 24.865 -2.881 3.586 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.369 -1.024 3.509 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.853 -2.141 4.156 1.00 0.00 C ATOM 0 H TRP S 19 25.555 1.998 -1.742 1.00 0.00 H new ATOM 0 HA TRP S 19 25.512 1.535 1.047 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.282 0.117 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.758 -0.320 -1.387 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.103 -2.396 -0.453 1.00 0.00 H new ATOM 0 HE1 TRP S 19 26.874 -3.798 1.662 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.522 0.231 1.786 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.247 -3.753 4.095 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.575 -0.444 3.955 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.439 -2.435 5.109 1.00 0.00 H new ATOM 1944 N LEU S 20 28.416 1.185 -0.240 1.00 0.00 N ATOM 1945 CA LEU S 20 29.840 0.874 0.072 1.00 0.00 C ATOM 1946 C LEU S 20 30.626 2.135 0.436 1.00 0.00 C ATOM 1947 O LEU S 20 31.291 2.192 1.451 1.00 0.00 O ATOM 1948 CB LEU S 20 30.474 0.276 -1.188 1.00 0.00 C ATOM 1949 CG LEU S 20 29.672 -0.948 -1.622 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.208 -0.759 -3.069 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.565 -2.185 -1.532 1.00 0.00 C ATOM 0 H LEU S 20 28.265 1.701 -1.107 1.00 0.00 H new ATOM 0 HA LEU S 20 29.870 0.188 0.919 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.491 1.017 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.509 -0.004 -0.991 1.00 0.00 H new ATOM 0 HG LEU S 20 28.804 -1.073 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU S 20 28.635 -1.631 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU S 20 28.582 0.131 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.076 -0.642 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.000 -3.065 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.427 -2.060 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.905 -2.314 -0.505 1.00 0.00 H new ATOM 1963 N ARG S 21 30.528 3.118 -0.410 1.00 0.00 N ATOM 1964 CA ARG S 21 31.251 4.394 -0.166 1.00 0.00 C ATOM 1965 C ARG S 21 31.053 4.962 1.244 1.00 0.00 C ATOM 1966 O ARG S 21 32.015 5.286 1.910 1.00 0.00 O ATOM 1967 CB ARG S 21 30.740 5.422 -1.185 1.00 0.00 C ATOM 1968 CG ARG S 21 30.846 4.822 -2.589 1.00 0.00 C ATOM 1969 CD ARG S 21 30.941 5.951 -3.618 1.00 0.00 C ATOM 1970 NE ARG S 21 30.058 7.074 -3.195 1.00 0.00 N ATOM 1971 CZ ARG S 21 29.784 8.026 -4.046 1.00 0.00 C ATOM 1972 NH1 ARG S 21 29.612 7.715 -5.302 1.00 0.00 N ATOM 1973 NH2 ARG S 21 29.690 9.253 -3.614 1.00 0.00 N ATOM 0 H ARG S 21 29.974 3.093 -1.266 1.00 0.00 H new ATOM 0 HA ARG S 21 32.317 4.190 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.706 5.688 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG S 21 31.326 6.339 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.723 4.179 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG S 21 29.977 4.198 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG S 21 31.972 6.295 -3.704 1.00 0.00 H new ATOM 0 HD3 ARG S 21 30.643 5.589 -4.602 1.00 0.00 H new ATOM 0 HE ARG S 21 29.672 7.099 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG S 21 29.692 6.744 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG S 21 29.397 8.443 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG S 21 29.830 9.457 -2.625 1.00 0.00 H new ATOM 0 HH22 ARG S 21 29.477 10.008 -4.266 1.00 0.00 H new ATOM 1987 N PHE S 22 29.828 5.073 1.692 1.00 0.00 N ATOM 1988 CA PHE S 22 29.623 5.633 3.062 1.00 0.00 C ATOM 1989 C PHE S 22 29.960 4.654 4.185 1.00 0.00 C ATOM 1990 O PHE S 22 30.706 4.992 5.086 1.00 0.00 O ATOM 1991 CB PHE S 22 28.167 6.062 3.231 1.00 0.00 C ATOM 1992 CG PHE S 22 28.085 6.915 4.500 1.00 0.00 C ATOM 1993 CD1 PHE S 22 27.918 6.318 5.738 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.227 8.288 4.430 1.00 0.00 C ATOM 1995 CE1 PHE S 22 27.896 7.085 6.886 1.00 0.00 C ATOM 1996 CE2 PHE S 22 28.204 9.054 5.578 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.040 8.452 6.806 1.00 0.00 C ATOM 0 H PHE S 22 28.983 4.809 1.186 1.00 0.00 H new ATOM 0 HA PHE S 22 30.307 6.477 3.144 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.831 6.631 2.364 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.517 5.191 3.312 1.00 0.00 H new ATOM 0 HD1 PHE S 22 27.804 5.246 5.806 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.357 8.765 3.470 1.00 0.00 H new ATOM 0 HE1 PHE S 22 27.766 6.612 7.848 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.315 10.126 5.513 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.024 9.051 7.704 1.00 0.00 H new ATOM 2007 N VAL S 23 29.387 3.481 4.153 1.00 0.00 N ATOM 2008 CA VAL S 23 29.700 2.515 5.237 1.00 0.00 C ATOM 2009 C VAL S 23 31.204 2.503 5.492 1.00 0.00 C ATOM 2010 O VAL S 23 31.653 2.222 6.586 1.00 0.00 O ATOM 2011 CB VAL S 23 29.230 1.123 4.819 1.00 0.00 C ATOM 2012 CG1 VAL S 23 27.701 1.096 4.838 1.00 0.00 C ATOM 2013 CG2 VAL S 23 29.723 0.830 3.408 1.00 0.00 C ATOM 0 H VAL S 23 28.732 3.158 3.441 1.00 0.00 H new ATOM 0 HA VAL S 23 29.188 2.809 6.153 1.00 0.00 H new ATOM 0 HB VAL S 23 29.624 0.373 5.504 1.00 0.00 H new ATOM 0 HG11 VAL S 23 27.351 0.107 4.541 1.00 0.00 H new ATOM 0 HG12 VAL S 23 27.346 1.320 5.844 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.315 1.841 4.142 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.390 -0.163 3.105 1.00 0.00 H new ATOM 0 HG22 VAL S 23 29.320 1.573 2.720 1.00 0.00 H new ATOM 0 HG23 VAL S 23 30.812 0.869 3.388 1.00 0.00 H new ATOM 2023 N ASP S 24 31.954 2.813 4.467 1.00 0.00 N ATOM 2024 CA ASP S 24 33.430 2.833 4.627 1.00 0.00 C ATOM 2025 C ASP S 24 33.780 3.856 5.694 1.00 0.00 C ATOM 2026 O ASP S 24 34.616 3.621 6.544 1.00 0.00 O ATOM 2027 CB ASP S 24 34.056 3.264 3.294 1.00 0.00 C ATOM 2028 CG ASP S 24 35.061 2.207 2.835 1.00 0.00 C ATOM 2029 OD1 ASP S 24 34.596 1.139 2.473 1.00 0.00 O ATOM 2030 OD2 ASP S 24 36.237 2.528 2.868 1.00 0.00 O ATOM 0 H ASP S 24 31.609 3.050 3.537 1.00 0.00 H new ATOM 0 HA ASP S 24 33.802 1.849 4.914 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.279 3.393 2.541 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.553 4.228 3.408 1.00 0.00 H new ATOM 2035 N LEU S 25 33.123 4.981 5.619 1.00 0.00 N ATOM 2036 CA LEU S 25 33.386 6.042 6.614 1.00 0.00 C ATOM 2037 C LEU S 25 33.029 5.531 8.005 1.00 0.00 C ATOM 2038 O LEU S 25 33.643 5.902 8.982 1.00 0.00 O ATOM 2039 CB LEU S 25 32.503 7.253 6.281 1.00 0.00 C ATOM 2040 CG LEU S 25 32.772 7.701 4.839 1.00 0.00 C ATOM 2041 CD1 LEU S 25 31.924 8.937 4.532 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.252 8.056 4.683 1.00 0.00 C ATOM 0 H LEU S 25 32.421 5.205 4.914 1.00 0.00 H new ATOM 0 HA LEU S 25 34.439 6.324 6.590 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.451 6.994 6.402 1.00 0.00 H new ATOM 0 HB3 LEU S 25 32.712 8.070 6.972 1.00 0.00 H new ATOM 0 HG LEU S 25 32.516 6.895 4.152 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.110 9.261 3.508 1.00 0.00 H new ATOM 0 HD12 LEU S 25 30.868 8.692 4.649 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.188 9.740 5.220 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.444 8.374 3.658 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.506 8.865 5.368 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.862 7.182 4.911 1.00 0.00 H new ATOM 2054 N LEU S 26 32.031 4.692 8.076 1.00 0.00 N ATOM 2055 CA LEU S 26 31.644 4.160 9.411 1.00 0.00 C ATOM 2056 C LEU S 26 32.898 3.698 10.147 1.00 0.00 C ATOM 2057 O LEU S 26 33.003 3.815 11.352 1.00 0.00 O ATOM 2058 CB LEU S 26 30.706 2.961 9.211 1.00 0.00 C ATOM 2059 CG LEU S 26 29.970 2.662 10.522 1.00 0.00 C ATOM 2060 CD1 LEU S 26 28.756 3.589 10.655 1.00 0.00 C ATOM 2061 CD2 LEU S 26 29.490 1.209 10.505 1.00 0.00 C ATOM 0 H LEU S 26 31.479 4.359 7.286 1.00 0.00 H new ATOM 0 HA LEU S 26 31.142 4.934 9.992 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.988 3.176 8.420 1.00 0.00 H new ATOM 0 HB3 LEU S 26 31.277 2.088 8.895 1.00 0.00 H new ATOM 0 HG LEU S 26 30.644 2.824 11.363 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.235 3.374 11.588 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.089 4.627 10.656 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.080 3.426 9.816 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.965 0.988 11.435 1.00 0.00 H new ATOM 0 HD22 LEU S 26 28.815 1.059 9.663 1.00 0.00 H new ATOM 0 HD23 LEU S 26 30.348 0.544 10.406 1.00 0.00 H new ATOM 2073 N LYS S 27 33.828 3.180 9.390 1.00 0.00 N ATOM 2074 CA LYS S 27 35.096 2.698 9.991 1.00 0.00 C ATOM 2075 C LYS S 27 35.924 3.892 10.456 1.00 0.00 C ATOM 2076 O LYS S 27 36.439 3.911 11.557 1.00 0.00 O ATOM 2077 CB LYS S 27 35.912 1.957 8.911 1.00 0.00 C ATOM 2078 CG LYS S 27 35.033 0.955 8.152 1.00 0.00 C ATOM 2079 CD LYS S 27 35.677 0.658 6.794 1.00 0.00 C ATOM 2080 CE LYS S 27 37.080 0.090 7.015 1.00 0.00 C ATOM 2081 NZ LYS S 27 38.079 1.192 7.091 1.00 0.00 N ATOM 0 H LYS S 27 33.760 3.071 8.378 1.00 0.00 H new ATOM 0 HA LYS S 27 34.869 2.040 10.830 1.00 0.00 H new ATOM 0 HB2 LYS S 27 36.336 2.678 8.212 1.00 0.00 H new ATOM 0 HB3 LYS S 27 36.748 1.434 9.376 1.00 0.00 H new ATOM 0 HG2 LYS S 27 34.926 0.036 8.728 1.00 0.00 H new ATOM 0 HG3 LYS S 27 34.031 1.362 8.013 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.067 -0.054 6.237 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.730 1.568 6.197 1.00 0.00 H new ATOM 0 HE2 LYS S 27 37.102 -0.494 7.935 1.00 0.00 H new ATOM 0 HE3 LYS S 27 37.338 -0.588 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.911 0.947 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.655 2.070 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.370 1.329 8.080 1.00 0.00 H new ATOM 2095 N ASN S 28 36.028 4.865 9.592 1.00 0.00 N ATOM 2096 CA ASN S 28 36.813 6.087 9.932 1.00 0.00 C ATOM 2097 C ASN S 28 36.466 6.637 11.324 1.00 0.00 C ATOM 2098 O ASN S 28 37.345 7.019 12.072 1.00 0.00 O ATOM 2099 CB ASN S 28 36.509 7.162 8.878 1.00 0.00 C ATOM 2100 CG ASN S 28 37.108 6.736 7.535 1.00 0.00 C ATOM 2101 OD1 ASN S 28 37.902 7.442 6.946 1.00 0.00 O ATOM 2102 ND2 ASN S 28 36.755 5.590 7.019 1.00 0.00 N ATOM 0 H ASN S 28 35.603 4.867 8.665 1.00 0.00 H new ATOM 0 HA ASN S 28 37.870 5.821 9.941 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.432 7.299 8.782 1.00 0.00 H new ATOM 0 HB3 ASN S 28 36.926 8.120 9.188 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.146 5.291 6.125 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.089 4.993 7.509 1.00 0.00 H new ATOM 2109 N ALA S 29 35.199 6.671 11.646 1.00 0.00 N ATOM 2110 CA ALA S 29 34.797 7.195 12.986 1.00 0.00 C ATOM 2111 C ALA S 29 35.061 6.165 14.080 1.00 0.00 C ATOM 2112 O ALA S 29 35.586 6.491 15.126 1.00 0.00 O ATOM 2113 CB ALA S 29 33.291 7.485 12.955 1.00 0.00 C ATOM 0 H ALA S 29 34.433 6.363 11.047 1.00 0.00 H new ATOM 0 HA ALA S 29 35.376 8.093 13.201 1.00 0.00 H new ATOM 0 HB1 ALA S 29 32.974 7.869 13.925 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.079 8.226 12.184 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.748 6.566 12.734 1.00 0.00 H new ATOM 2119 N TYR S 30 34.690 4.941 13.820 1.00 0.00 N ATOM 2120 CA TYR S 30 34.910 3.880 14.834 1.00 0.00 C ATOM 2121 C TYR S 30 36.329 3.916 15.384 1.00 0.00 C ATOM 2122 O TYR S 30 36.554 4.541 16.400 1.00 0.00 O ATOM 2123 CB TYR S 30 34.654 2.508 14.182 1.00 0.00 C ATOM 2124 CG TYR S 30 33.326 1.943 14.689 1.00 0.00 C ATOM 2125 CD1 TYR S 30 33.182 1.582 16.012 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.259 1.772 13.829 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.990 1.056 16.470 1.00 0.00 C ATOM 2128 CE2 TYR S 30 31.069 1.246 14.287 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.925 0.884 15.610 1.00 0.00 C ATOM 2130 OH TYR S 30 29.735 0.352 16.062 1.00 0.00 O ATOM 0 H TYR S 30 34.247 4.634 12.954 1.00 0.00 H new ATOM 0 HA TYR S 30 34.223 4.049 15.663 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.628 2.608 13.097 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.468 1.823 14.420 1.00 0.00 H new ATOM 0 HD1 TYR S 30 34.008 1.712 16.696 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.357 2.052 12.791 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.891 0.777 17.509 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.243 1.116 13.604 1.00 0.00 H new ATOM 0 HH TYR S 30 28.993 0.714 15.534 1.00 0.00 H new ATOM 2140 N GLN S 31 37.245 3.319 14.641 1.00 0.00 N ATOM 2141 CA GLN S 31 38.689 3.256 15.040 1.00 0.00 C ATOM 2142 C GLN S 31 39.042 4.241 16.137 1.00 0.00 C ATOM 2143 O GLN S 31 39.355 3.857 17.246 1.00 0.00 O ATOM 2144 CB GLN S 31 39.549 3.564 13.814 1.00 0.00 C ATOM 2145 CG GLN S 31 40.981 3.107 14.096 1.00 0.00 C ATOM 2146 CD GLN S 31 41.965 4.169 13.603 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.723 4.730 14.370 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.989 4.473 12.336 1.00 0.00 N ATOM 0 H GLN S 31 37.040 2.863 13.752 1.00 0.00 H new ATOM 0 HA GLN S 31 38.877 2.254 15.426 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.154 3.052 12.937 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.529 4.632 13.596 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.116 2.940 15.165 1.00 0.00 H new ATOM 0 HG3 GLN S 31 41.175 2.157 13.597 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.355 4.006 11.687 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.641 5.178 11.993 1.00 0.00 H new ATOM 2157 N ASN S 32 38.989 5.488 15.809 1.00 0.00 N ATOM 2158 CA ASN S 32 39.314 6.518 16.813 1.00 0.00 C ATOM 2159 C ASN S 32 38.172 6.660 17.798 1.00 0.00 C ATOM 2160 O ASN S 32 37.934 7.735 18.311 1.00 0.00 O ATOM 2161 CB ASN S 32 39.500 7.842 16.106 1.00 0.00 C ATOM 2162 CG ASN S 32 40.246 7.619 14.788 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.354 7.123 14.765 1.00 0.00 O ATOM 2164 ND2 ASN S 32 39.672 7.968 13.672 1.00 0.00 N ATOM 0 H ASN S 32 38.734 5.841 14.887 1.00 0.00 H new ATOM 0 HA ASN S 32 40.221 6.230 17.344 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.531 8.303 15.914 1.00 0.00 H new ATOM 0 HB3 ASN S 32 40.059 8.529 16.741 1.00 0.00 H new ATOM 0 HD21 ASN S 32 40.153 7.824 12.784 1.00 0.00 H new ATOM 0 HD22 ASN S 32 38.741 8.385 13.686 1.00 0.00 H new ATOM 2171 N ASP S 33 37.544 5.551 18.088 1.00 0.00 N ATOM 2172 CA ASP S 33 36.402 5.547 19.033 1.00 0.00 C ATOM 2173 C ASP S 33 35.630 6.855 18.995 1.00 0.00 C ATOM 2174 O ASP S 33 35.021 7.255 19.969 1.00 0.00 O ATOM 2175 CB ASP S 33 37.001 5.394 20.414 1.00 0.00 C ATOM 2176 CG ASP S 33 36.275 4.281 21.175 1.00 0.00 C ATOM 2177 OD1 ASP S 33 36.508 3.137 20.816 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.528 4.637 22.071 1.00 0.00 O ATOM 0 H ASP S 33 37.782 4.637 17.702 1.00 0.00 H new ATOM 0 HA ASP S 33 35.711 4.746 18.770 1.00 0.00 H new ATOM 0 HB2 ASP S 33 38.063 5.161 20.336 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.921 6.333 20.961 1.00 0.00 H new ATOM 2183 N LEU S 34 35.657 7.491 17.856 1.00 0.00 N ATOM 2184 CA LEU S 34 34.932 8.774 17.738 1.00 0.00 C ATOM 2185 C LEU S 34 33.530 8.526 17.229 1.00 0.00 C ATOM 2186 O LEU S 34 32.850 9.432 16.789 1.00 0.00 O ATOM 2187 CB LEU S 34 35.675 9.671 16.746 1.00 0.00 C ATOM 2188 CG LEU S 34 36.396 10.794 17.511 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.230 11.618 16.527 1.00 0.00 C ATOM 2190 CD2 LEU S 34 35.365 11.709 18.196 1.00 0.00 C ATOM 0 H LEU S 34 36.144 7.178 17.016 1.00 0.00 H new ATOM 0 HA LEU S 34 34.879 9.255 18.715 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.395 9.083 16.177 1.00 0.00 H new ATOM 0 HB3 LEU S 34 34.974 10.097 16.029 1.00 0.00 H new ATOM 0 HG LEU S 34 37.044 10.355 18.270 1.00 0.00 H new ATOM 0 HD11 LEU S 34 37.743 12.416 17.064 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.965 10.974 16.045 1.00 0.00 H new ATOM 0 HD13 LEU S 34 36.576 12.052 15.771 1.00 0.00 H new ATOM 0 HD21 LEU S 34 35.884 12.502 18.736 1.00 0.00 H new ATOM 0 HD22 LEU S 34 34.712 12.150 17.442 1.00 0.00 H new ATOM 0 HD23 LEU S 34 34.768 11.124 18.896 1.00 0.00 H new ATOM 2202 N HIS S 35 33.124 7.291 17.280 1.00 0.00 N ATOM 2203 CA HIS S 35 31.758 6.984 16.796 1.00 0.00 C ATOM 2204 C HIS S 35 30.724 7.295 17.868 1.00 0.00 C ATOM 2205 O HIS S 35 29.624 7.675 17.562 1.00 0.00 O ATOM 2206 CB HIS S 35 31.665 5.495 16.449 1.00 0.00 C ATOM 2207 CG HIS S 35 32.027 4.663 17.679 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.147 4.683 18.273 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.262 3.759 18.394 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.140 3.888 19.277 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.979 3.266 19.414 1.00 0.00 N ATOM 0 H HIS S 35 33.665 6.499 17.627 1.00 0.00 H new ATOM 0 HA HIS S 35 31.559 7.597 15.917 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.657 5.251 16.115 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.339 5.259 15.626 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.241 3.491 18.165 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.983 3.742 19.936 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.700 2.583 20.119 1.00 0.00 H new ATOM 2219 N LEU S 36 31.120 7.171 19.109 1.00 0.00 N ATOM 2220 CA LEU S 36 30.170 7.452 20.226 1.00 0.00 C ATOM 2221 C LEU S 36 29.233 8.640 19.952 1.00 0.00 C ATOM 2222 O LEU S 36 28.033 8.492 20.051 1.00 0.00 O ATOM 2223 CB LEU S 36 30.963 7.692 21.525 1.00 0.00 C ATOM 2224 CG LEU S 36 30.719 6.523 22.492 1.00 0.00 C ATOM 2225 CD1 LEU S 36 31.383 5.249 21.951 1.00 0.00 C ATOM 2226 CD2 LEU S 36 31.325 6.858 23.855 1.00 0.00 C ATOM 0 H LEU S 36 32.057 6.888 19.396 1.00 0.00 H new ATOM 0 HA LEU S 36 29.529 6.576 20.325 1.00 0.00 H new ATOM 0 HB2 LEU S 36 32.027 7.780 21.304 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.654 8.630 21.985 1.00 0.00 H new ATOM 0 HG LEU S 36 29.646 6.360 22.590 1.00 0.00 H new ATOM 0 HD11 LEU S 36 31.206 4.425 22.642 1.00 0.00 H new ATOM 0 HD12 LEU S 36 30.960 5.004 20.977 1.00 0.00 H new ATOM 0 HD13 LEU S 36 32.456 5.413 21.849 1.00 0.00 H new ATOM 0 HD21 LEU S 36 31.153 6.030 24.543 1.00 0.00 H new ATOM 0 HD22 LEU S 36 32.397 7.023 23.746 1.00 0.00 H new ATOM 0 HD23 LEU S 36 30.857 7.760 24.249 1.00 0.00 H new ATOM 2238 N PRO S 37 29.754 9.806 19.637 1.00 0.00 N ATOM 2239 CA PRO S 37 28.871 10.950 19.370 1.00 0.00 C ATOM 2240 C PRO S 37 27.942 10.668 18.186 1.00 0.00 C ATOM 2241 O PRO S 37 26.741 10.572 18.349 1.00 0.00 O ATOM 2242 CB PRO S 37 29.814 12.110 19.037 1.00 0.00 C ATOM 2243 CG PRO S 37 31.262 11.561 19.054 1.00 0.00 C ATOM 2244 CD PRO S 37 31.202 10.102 19.534 1.00 0.00 C ATOM 0 HA PRO S 37 28.228 11.166 20.223 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.575 12.528 18.059 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.702 12.915 19.764 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.705 11.619 18.060 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.889 12.157 19.717 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.695 9.432 18.830 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.702 9.979 20.495 1.00 0.00 H new ATOM 2252 N LEU S 38 28.512 10.539 17.013 1.00 0.00 N ATOM 2253 CA LEU S 38 27.668 10.261 15.818 1.00 0.00 C ATOM 2254 C LEU S 38 26.742 9.086 16.094 1.00 0.00 C ATOM 2255 O LEU S 38 25.647 9.017 15.574 1.00 0.00 O ATOM 2256 CB LEU S 38 28.597 9.969 14.623 1.00 0.00 C ATOM 2257 CG LEU S 38 28.775 8.462 14.388 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.552 7.875 13.665 1.00 0.00 C ATOM 2259 CD2 LEU S 38 29.993 8.272 13.492 1.00 0.00 C ATOM 0 H LEU S 38 29.514 10.614 16.836 1.00 0.00 H new ATOM 0 HA LEU S 38 27.044 11.124 15.586 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.188 10.430 13.724 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.571 10.426 14.801 1.00 0.00 H new ATOM 0 HG LEU S 38 28.894 7.959 15.347 1.00 0.00 H new ATOM 0 HD11 LEU S 38 27.700 6.806 13.509 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.660 8.033 14.271 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.428 8.369 12.701 1.00 0.00 H new ATOM 0 HD21 LEU S 38 30.146 7.209 13.306 1.00 0.00 H new ATOM 0 HD22 LEU S 38 29.831 8.786 12.545 1.00 0.00 H new ATOM 0 HD23 LEU S 38 30.874 8.685 13.983 1.00 0.00 H new ATOM 2271 N LEU S 39 27.201 8.184 16.910 1.00 0.00 N ATOM 2272 CA LEU S 39 26.345 7.002 17.230 1.00 0.00 C ATOM 2273 C LEU S 39 24.987 7.503 17.706 1.00 0.00 C ATOM 2274 O LEU S 39 23.955 7.168 17.158 1.00 0.00 O ATOM 2275 CB LEU S 39 26.989 6.216 18.391 1.00 0.00 C ATOM 2276 CG LEU S 39 26.470 4.765 18.490 1.00 0.00 C ATOM 2277 CD1 LEU S 39 24.957 4.673 18.243 1.00 0.00 C ATOM 2278 CD2 LEU S 39 27.194 3.873 17.501 1.00 0.00 C ATOM 0 H LEU S 39 28.114 8.207 17.364 1.00 0.00 H new ATOM 0 HA LEU S 39 26.242 6.369 16.348 1.00 0.00 H new ATOM 0 HB2 LEU S 39 28.071 6.202 18.259 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.789 6.734 19.329 1.00 0.00 H new ATOM 0 HG LEU S 39 26.669 4.427 19.507 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.638 3.634 18.323 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.430 5.273 18.985 1.00 0.00 H new ATOM 0 HD13 LEU S 39 24.728 5.047 17.245 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.815 2.854 17.585 1.00 0.00 H new ATOM 0 HD22 LEU S 39 27.026 4.240 16.489 1.00 0.00 H new ATOM 0 HD23 LEU S 39 28.262 3.882 17.717 1.00 0.00 H new ATOM 2290 N ASN S 40 25.032 8.304 18.734 1.00 0.00 N ATOM 2291 CA ASN S 40 23.784 8.866 19.302 1.00 0.00 C ATOM 2292 C ASN S 40 22.920 9.545 18.239 1.00 0.00 C ATOM 2293 O ASN S 40 21.710 9.548 18.343 1.00 0.00 O ATOM 2294 CB ASN S 40 24.168 9.903 20.364 1.00 0.00 C ATOM 2295 CG ASN S 40 23.272 11.136 20.223 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.710 12.190 19.803 1.00 0.00 O ATOM 2297 ND2 ASN S 40 22.015 11.046 20.560 1.00 0.00 N ATOM 0 H ASN S 40 25.889 8.593 19.206 1.00 0.00 H new ATOM 0 HA ASN S 40 23.202 8.048 19.728 1.00 0.00 H new ATOM 0 HB2 ASN S 40 24.061 9.475 21.361 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.214 10.186 20.249 1.00 0.00 H new ATOM 0 HD21 ASN S 40 21.404 11.858 20.471 1.00 0.00 H new ATOM 0 HD22 ASN S 40 21.643 10.164 20.913 1.00 0.00 H new ATOM 2304 N LEU S 41 23.531 10.110 17.233 1.00 0.00 N ATOM 2305 CA LEU S 41 22.697 10.775 16.194 1.00 0.00 C ATOM 2306 C LEU S 41 21.683 9.793 15.621 1.00 0.00 C ATOM 2307 O LEU S 41 20.618 10.185 15.186 1.00 0.00 O ATOM 2308 CB LEU S 41 23.588 11.276 15.037 1.00 0.00 C ATOM 2309 CG LEU S 41 22.756 12.189 14.122 1.00 0.00 C ATOM 2310 CD1 LEU S 41 22.315 13.442 14.890 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.603 12.617 12.922 1.00 0.00 C ATOM 0 H LEU S 41 24.540 10.141 17.087 1.00 0.00 H new ATOM 0 HA LEU S 41 22.181 11.614 16.662 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.446 11.820 15.431 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.979 10.431 14.470 1.00 0.00 H new ATOM 0 HG LEU S 41 21.876 11.642 13.783 1.00 0.00 H new ATOM 0 HD11 LEU S 41 21.726 14.083 14.234 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.711 13.149 15.748 1.00 0.00 H new ATOM 0 HD13 LEU S 41 23.195 13.986 15.234 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.013 13.264 12.273 1.00 0.00 H new ATOM 0 HD22 LEU S 41 24.482 13.158 13.272 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.917 11.734 12.365 1.00 0.00 H new ATOM 2323 N MET S 42 22.033 8.533 15.641 1.00 0.00 N ATOM 2324 CA MET S 42 21.105 7.499 15.098 1.00 0.00 C ATOM 2325 C MET S 42 20.445 6.668 16.200 1.00 0.00 C ATOM 2326 O MET S 42 19.819 5.669 15.915 1.00 0.00 O ATOM 2327 CB MET S 42 21.920 6.553 14.208 1.00 0.00 C ATOM 2328 CG MET S 42 21.757 6.966 12.744 1.00 0.00 C ATOM 2329 SD MET S 42 22.307 8.626 12.283 1.00 0.00 S ATOM 2330 CE MET S 42 23.956 8.161 11.696 1.00 0.00 C ATOM 0 H MET S 42 22.916 8.178 16.008 1.00 0.00 H new ATOM 0 HA MET S 42 20.315 8.010 14.547 1.00 0.00 H new ATOM 0 HB2 MET S 42 22.972 6.585 14.491 1.00 0.00 H new ATOM 0 HB3 MET S 42 21.584 5.525 14.347 1.00 0.00 H new ATOM 0 HG2 MET S 42 22.300 6.248 12.129 1.00 0.00 H new ATOM 0 HG3 MET S 42 20.702 6.876 12.484 1.00 0.00 H new ATOM 0 HE1 MET S 42 24.485 9.051 11.356 1.00 0.00 H new ATOM 0 HE2 MET S 42 24.514 7.696 12.509 1.00 0.00 H new ATOM 0 HE3 MET S 42 23.863 7.456 10.870 1.00 0.00 H new ATOM 2340 N LEU S 43 20.582 7.082 17.433 1.00 0.00 N ATOM 2341 CA LEU S 43 19.952 6.294 18.526 1.00 0.00 C ATOM 2342 C LEU S 43 18.446 6.167 18.313 1.00 0.00 C ATOM 2343 O LEU S 43 17.757 5.546 19.098 1.00 0.00 O ATOM 2344 CB LEU S 43 20.203 7.008 19.857 1.00 0.00 C ATOM 2345 CG LEU S 43 21.112 6.129 20.717 1.00 0.00 C ATOM 2346 CD1 LEU S 43 21.505 6.892 21.987 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.364 4.854 21.119 1.00 0.00 C ATOM 0 H LEU S 43 21.093 7.915 17.724 1.00 0.00 H new ATOM 0 HA LEU S 43 20.389 5.295 18.532 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.668 7.978 19.684 1.00 0.00 H new ATOM 0 HB3 LEU S 43 19.260 7.194 20.371 1.00 0.00 H new ATOM 0 HG LEU S 43 22.004 5.870 20.146 1.00 0.00 H new ATOM 0 HD11 LEU S 43 22.153 6.267 22.601 1.00 0.00 H new ATOM 0 HD12 LEU S 43 22.034 7.805 21.714 1.00 0.00 H new ATOM 0 HD13 LEU S 43 20.608 7.148 22.550 1.00 0.00 H new ATOM 0 HD21 LEU S 43 21.014 4.229 21.732 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.473 5.119 21.688 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.072 4.306 20.223 1.00 0.00 H new ATOM 2359 N THR S 44 17.965 6.765 17.261 1.00 0.00 N ATOM 2360 CA THR S 44 16.506 6.690 16.980 1.00 0.00 C ATOM 2361 C THR S 44 15.996 5.257 17.200 1.00 0.00 C ATOM 2362 O THR S 44 16.770 4.322 17.193 1.00 0.00 O ATOM 2363 CB THR S 44 16.294 7.078 15.511 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.568 6.957 14.903 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.954 8.567 15.385 1.00 0.00 C ATOM 0 H THR S 44 18.514 7.299 16.588 1.00 0.00 H new ATOM 0 HA THR S 44 15.962 7.360 17.646 1.00 0.00 H new ATOM 0 HB THR S 44 15.504 6.464 15.079 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.972 7.845 14.810 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.808 8.819 14.335 1.00 0.00 H new ATOM 0 HG22 THR S 44 15.040 8.780 15.940 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.772 9.163 15.791 1.00 0.00 H new ATOM 2373 N PRO S 45 14.702 5.105 17.390 1.00 0.00 N ATOM 2374 CA PRO S 45 14.111 3.775 17.609 1.00 0.00 C ATOM 2375 C PRO S 45 14.545 2.786 16.532 1.00 0.00 C ATOM 2376 O PRO S 45 14.552 1.588 16.747 1.00 0.00 O ATOM 2377 CB PRO S 45 12.593 4.006 17.527 1.00 0.00 C ATOM 2378 CG PRO S 45 12.355 5.531 17.375 1.00 0.00 C ATOM 2379 CD PRO S 45 13.729 6.218 17.383 1.00 0.00 C ATOM 0 HA PRO S 45 14.427 3.350 18.562 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.169 3.467 16.680 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.100 3.630 18.423 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.825 5.745 16.447 1.00 0.00 H new ATOM 0 HG3 PRO S 45 11.735 5.905 18.190 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.860 6.853 16.507 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.849 6.855 18.259 1.00 0.00 H new ATOM 2387 N ASP S 46 14.907 3.308 15.393 1.00 0.00 N ATOM 2388 CA ASP S 46 15.346 2.419 14.284 1.00 0.00 C ATOM 2389 C ASP S 46 16.631 1.680 14.653 1.00 0.00 C ATOM 2390 O ASP S 46 16.782 0.508 14.367 1.00 0.00 O ATOM 2391 CB ASP S 46 15.621 3.294 13.057 1.00 0.00 C ATOM 2392 CG ASP S 46 15.317 2.499 11.786 1.00 0.00 C ATOM 2393 OD1 ASP S 46 14.147 2.458 11.441 1.00 0.00 O ATOM 2394 OD2 ASP S 46 16.271 1.980 11.233 1.00 0.00 O ATOM 0 H ASP S 46 14.918 4.306 15.184 1.00 0.00 H new ATOM 0 HA ASP S 46 14.567 1.683 14.084 1.00 0.00 H new ATOM 0 HB2 ASP S 46 15.005 4.193 13.093 1.00 0.00 H new ATOM 0 HB3 ASP S 46 16.661 3.620 13.055 1.00 0.00 H new ATOM 2399 N GLU S 47 17.534 2.383 15.280 1.00 0.00 N ATOM 2400 CA GLU S 47 18.818 1.740 15.676 1.00 0.00 C ATOM 2401 C GLU S 47 18.702 1.110 17.061 1.00 0.00 C ATOM 2402 O GLU S 47 19.139 0.001 17.279 1.00 0.00 O ATOM 2403 CB GLU S 47 19.901 2.822 15.723 1.00 0.00 C ATOM 2404 CG GLU S 47 21.275 2.155 15.795 1.00 0.00 C ATOM 2405 CD GLU S 47 21.979 2.299 14.446 1.00 0.00 C ATOM 2406 OE1 GLU S 47 22.668 3.296 14.298 1.00 0.00 O ATOM 2407 OE2 GLU S 47 21.788 1.406 13.637 1.00 0.00 O ATOM 0 H GLU S 47 17.440 3.367 15.533 1.00 0.00 H new ATOM 0 HA GLU S 47 19.066 0.962 14.954 1.00 0.00 H new ATOM 0 HB2 GLU S 47 19.837 3.456 14.839 1.00 0.00 H new ATOM 0 HB3 GLU S 47 19.751 3.467 16.589 1.00 0.00 H new ATOM 0 HG2 GLU S 47 21.874 2.614 16.581 1.00 0.00 H new ATOM 0 HG3 GLU S 47 21.167 1.101 16.051 1.00 0.00 H new ATOM 2414 N ARG S 48 18.118 1.840 17.969 1.00 0.00 N ATOM 2415 CA ARG S 48 17.963 1.307 19.347 1.00 0.00 C ATOM 2416 C ARG S 48 17.451 -0.130 19.319 1.00 0.00 C ATOM 2417 O ARG S 48 18.075 -1.025 19.853 1.00 0.00 O ATOM 2418 CB ARG S 48 16.944 2.185 20.081 1.00 0.00 C ATOM 2419 CG ARG S 48 17.188 2.093 21.586 1.00 0.00 C ATOM 2420 CD ARG S 48 16.232 3.048 22.301 1.00 0.00 C ATOM 2421 NE ARG S 48 16.902 4.368 22.466 1.00 0.00 N ATOM 2422 CZ ARG S 48 16.798 5.001 23.601 1.00 0.00 C ATOM 2423 NH1 ARG S 48 17.272 4.441 24.680 1.00 0.00 N ATOM 2424 NH2 ARG S 48 16.219 6.169 23.618 1.00 0.00 N ATOM 0 H ARG S 48 17.744 2.777 17.817 1.00 0.00 H new ATOM 0 HA ARG S 48 18.930 1.318 19.851 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.033 3.220 19.749 1.00 0.00 H new ATOM 0 HB3 ARG S 48 15.931 1.860 19.845 1.00 0.00 H new ATOM 0 HG2 ARG S 48 17.029 1.072 21.932 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.222 2.351 21.817 1.00 0.00 H new ATOM 0 HD2 ARG S 48 15.313 3.161 21.726 1.00 0.00 H new ATOM 0 HD3 ARG S 48 15.952 2.643 23.274 1.00 0.00 H new ATOM 0 HE ARG S 48 17.437 4.773 21.698 1.00 0.00 H new ATOM 0 HH11 ARG S 48 17.715 3.524 24.626 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.200 4.921 25.577 1.00 0.00 H new ATOM 0 HH21 ARG S 48 15.857 6.572 22.753 1.00 0.00 H new ATOM 0 HH22 ARG S 48 16.128 6.680 24.496 1.00 0.00 H new ATOM 2438 N GLU S 49 16.320 -0.325 18.698 1.00 0.00 N ATOM 2439 CA GLU S 49 15.757 -1.700 18.629 1.00 0.00 C ATOM 2440 C GLU S 49 16.709 -2.638 17.892 1.00 0.00 C ATOM 2441 O GLU S 49 16.577 -3.843 17.967 1.00 0.00 O ATOM 2442 CB GLU S 49 14.435 -1.640 17.854 1.00 0.00 C ATOM 2443 CG GLU S 49 13.599 -2.875 18.194 1.00 0.00 C ATOM 2444 CD GLU S 49 12.992 -2.710 19.589 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.276 -1.684 20.186 1.00 0.00 O ATOM 2446 OE2 GLU S 49 12.279 -3.619 19.981 1.00 0.00 O ATOM 0 H GLU S 49 15.768 0.400 18.241 1.00 0.00 H new ATOM 0 HA GLU S 49 15.606 -2.075 19.641 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.888 -0.733 18.113 1.00 0.00 H new ATOM 0 HB3 GLU S 49 14.629 -1.601 16.782 1.00 0.00 H new ATOM 0 HG2 GLU S 49 12.809 -3.007 17.455 1.00 0.00 H new ATOM 0 HG3 GLU S 49 14.221 -3.769 18.160 1.00 0.00 H new ATOM 2453 N ALA S 50 17.652 -2.063 17.198 1.00 0.00 N ATOM 2454 CA ALA S 50 18.625 -2.900 16.445 1.00 0.00 C ATOM 2455 C ALA S 50 19.936 -3.088 17.213 1.00 0.00 C ATOM 2456 O ALA S 50 20.795 -3.831 16.784 1.00 0.00 O ATOM 2457 CB ALA S 50 18.933 -2.191 15.120 1.00 0.00 C ATOM 0 H ALA S 50 17.790 -1.055 17.120 1.00 0.00 H new ATOM 0 HA ALA S 50 18.185 -3.885 16.288 1.00 0.00 H new ATOM 0 HB1 ALA S 50 19.645 -2.784 14.547 1.00 0.00 H new ATOM 0 HB2 ALA S 50 18.013 -2.075 14.547 1.00 0.00 H new ATOM 0 HB3 ALA S 50 19.360 -1.209 15.323 1.00 0.00 H new ATOM 2463 N LEU S 51 20.075 -2.421 18.329 1.00 0.00 N ATOM 2464 CA LEU S 51 21.339 -2.580 19.102 1.00 0.00 C ATOM 2465 C LEU S 51 21.319 -3.853 19.958 1.00 0.00 C ATOM 2466 O LEU S 51 21.859 -4.875 19.570 1.00 0.00 O ATOM 2467 CB LEU S 51 21.517 -1.347 20.015 1.00 0.00 C ATOM 2468 CG LEU S 51 22.993 -1.147 20.397 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.673 -2.457 20.790 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.758 -0.507 19.233 1.00 0.00 C ATOM 0 H LEU S 51 19.384 -1.787 18.731 1.00 0.00 H new ATOM 0 HA LEU S 51 22.169 -2.664 18.401 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.147 -0.457 19.506 1.00 0.00 H new ATOM 0 HB3 LEU S 51 20.918 -1.470 20.918 1.00 0.00 H new ATOM 0 HG LEU S 51 23.011 -0.488 21.265 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.713 -2.263 21.051 1.00 0.00 H new ATOM 0 HD12 LEU S 51 23.159 -2.891 21.647 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.633 -3.153 19.952 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.802 -0.370 19.515 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.700 -1.156 18.359 1.00 0.00 H new ATOM 0 HD23 LEU S 51 23.316 0.461 18.996 1.00 0.00 H new ATOM 2482 N GLY S 52 20.701 -3.773 21.107 1.00 0.00 N ATOM 2483 CA GLY S 52 20.643 -4.963 21.988 1.00 0.00 C ATOM 2484 C GLY S 52 20.272 -6.201 21.169 1.00 0.00 C ATOM 2485 O GLY S 52 20.730 -7.293 21.446 1.00 0.00 O ATOM 0 H GLY S 52 20.238 -2.938 21.467 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.607 -5.114 22.474 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.909 -4.806 22.778 1.00 0.00 H new ATOM 2489 N THR S 53 19.447 -6.003 20.175 1.00 0.00 N ATOM 2490 CA THR S 53 19.039 -7.154 19.329 1.00 0.00 C ATOM 2491 C THR S 53 20.248 -7.694 18.571 1.00 0.00 C ATOM 2492 O THR S 53 20.569 -8.859 18.657 1.00 0.00 O ATOM 2493 CB THR S 53 17.993 -6.673 18.311 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.764 -6.647 19.014 1.00 0.00 O ATOM 2495 CG2 THR S 53 17.789 -7.721 17.209 1.00 0.00 C ATOM 0 H THR S 53 19.043 -5.103 19.917 1.00 0.00 H new ATOM 0 HA THR S 53 18.625 -7.940 19.961 1.00 0.00 H new ATOM 0 HB THR S 53 18.305 -5.721 17.882 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.326 -5.782 18.875 1.00 0.00 H new ATOM 0 HG21 THR S 53 17.045 -7.362 16.498 1.00 0.00 H new ATOM 0 HG22 THR S 53 18.732 -7.892 16.691 1.00 0.00 H new ATOM 0 HG23 THR S 53 17.445 -8.655 17.654 1.00 0.00 H new ATOM 2503 N ARG S 54 20.899 -6.822 17.855 1.00 0.00 N ATOM 2504 CA ARG S 54 22.093 -7.245 17.078 1.00 0.00 C ATOM 2505 C ARG S 54 23.016 -8.126 17.923 1.00 0.00 C ATOM 2506 O ARG S 54 23.711 -8.978 17.408 1.00 0.00 O ATOM 2507 CB ARG S 54 22.840 -5.962 16.662 1.00 0.00 C ATOM 2508 CG ARG S 54 24.220 -6.290 16.077 1.00 0.00 C ATOM 2509 CD ARG S 54 24.052 -7.218 14.874 1.00 0.00 C ATOM 2510 NE ARG S 54 25.300 -7.186 14.065 1.00 0.00 N ATOM 2511 CZ ARG S 54 25.825 -8.308 13.661 1.00 0.00 C ATOM 2512 NH1 ARG S 54 25.124 -9.083 12.879 1.00 0.00 N ATOM 2513 NH2 ARG S 54 27.025 -8.624 14.063 1.00 0.00 N ATOM 0 H ARG S 54 20.655 -5.835 17.775 1.00 0.00 H new ATOM 0 HA ARG S 54 21.787 -7.828 16.210 1.00 0.00 H new ATOM 0 HB2 ARG S 54 22.250 -5.417 15.925 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.954 -5.308 17.526 1.00 0.00 H new ATOM 0 HG2 ARG S 54 24.727 -5.373 15.776 1.00 0.00 H new ATOM 0 HG3 ARG S 54 24.844 -6.766 16.833 1.00 0.00 H new ATOM 0 HD2 ARG S 54 23.845 -8.235 15.208 1.00 0.00 H new ATOM 0 HD3 ARG S 54 23.202 -6.902 14.269 1.00 0.00 H new ATOM 0 HE ARG S 54 25.740 -6.296 13.829 1.00 0.00 H new ATOM 0 HH11 ARG S 54 24.184 -8.806 12.596 1.00 0.00 H new ATOM 0 HH12 ARG S 54 25.516 -9.966 12.551 1.00 0.00 H new ATOM 0 HH21 ARG S 54 27.537 -7.997 14.684 1.00 0.00 H new ATOM 0 HH22 ARG S 54 27.452 -9.498 13.757 1.00 0.00 H new ATOM 2527 N VAL S 55 22.997 -7.909 19.205 1.00 0.00 N ATOM 2528 CA VAL S 55 23.871 -8.723 20.100 1.00 0.00 C ATOM 2529 C VAL S 55 23.261 -10.084 20.457 1.00 0.00 C ATOM 2530 O VAL S 55 23.957 -11.081 20.542 1.00 0.00 O ATOM 2531 CB VAL S 55 24.042 -7.939 21.410 1.00 0.00 C ATOM 2532 CG1 VAL S 55 25.117 -8.601 22.278 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.456 -6.500 21.098 1.00 0.00 C ATOM 0 H VAL S 55 22.420 -7.210 19.673 1.00 0.00 H new ATOM 0 HA VAL S 55 24.810 -8.904 19.577 1.00 0.00 H new ATOM 0 HB VAL S 55 23.095 -7.937 21.949 1.00 0.00 H new ATOM 0 HG11 VAL S 55 25.233 -8.040 23.205 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.820 -9.624 22.508 1.00 0.00 H new ATOM 0 HG13 VAL S 55 26.064 -8.611 21.739 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.577 -5.946 22.029 1.00 0.00 H new ATOM 0 HG22 VAL S 55 25.400 -6.503 20.553 1.00 0.00 H new ATOM 0 HG23 VAL S 55 23.687 -6.024 20.490 1.00 0.00 H new ATOM 2543 N ARG S 56 21.971 -10.102 20.637 1.00 0.00 N ATOM 2544 CA ARG S 56 21.293 -11.380 20.994 1.00 0.00 C ATOM 2545 C ARG S 56 21.392 -12.456 19.911 1.00 0.00 C ATOM 2546 O ARG S 56 21.938 -13.514 20.151 1.00 0.00 O ATOM 2547 CB ARG S 56 19.814 -11.074 21.262 1.00 0.00 C ATOM 2548 CG ARG S 56 19.627 -10.766 22.751 1.00 0.00 C ATOM 2549 CD ARG S 56 19.628 -12.073 23.554 1.00 0.00 C ATOM 2550 NE ARG S 56 20.483 -11.893 24.764 1.00 0.00 N ATOM 2551 CZ ARG S 56 21.012 -12.938 25.340 1.00 0.00 C ATOM 2552 NH1 ARG S 56 21.759 -13.741 24.629 1.00 0.00 N ATOM 2553 NH2 ARG S 56 20.786 -13.140 26.610 1.00 0.00 N ATOM 0 H ARG S 56 21.358 -9.291 20.553 1.00 0.00 H new ATOM 0 HA ARG S 56 21.798 -11.782 21.872 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.490 -10.226 20.659 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.196 -11.924 20.973 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.427 -10.113 23.100 1.00 0.00 H new ATOM 0 HG3 ARG S 56 18.689 -10.233 22.907 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.612 -12.337 23.846 1.00 0.00 H new ATOM 0 HD3 ARG S 56 20.007 -12.892 22.942 1.00 0.00 H new ATOM 0 HE ARG S 56 20.653 -10.959 25.138 1.00 0.00 H new ATOM 0 HH11 ARG S 56 21.920 -13.546 23.641 1.00 0.00 H new ATOM 0 HH12 ARG S 56 22.181 -14.563 25.062 1.00 0.00 H new ATOM 0 HH21 ARG S 56 20.205 -12.487 27.135 1.00 0.00 H new ATOM 0 HH22 ARG S 56 21.191 -13.951 27.077 1.00 0.00 H new ATOM 2567 N ILE S 57 20.864 -12.176 18.747 1.00 0.00 N ATOM 2568 CA ILE S 57 20.925 -13.183 17.659 1.00 0.00 C ATOM 2569 C ILE S 57 22.279 -13.870 17.615 1.00 0.00 C ATOM 2570 O ILE S 57 22.423 -14.996 18.050 1.00 0.00 O ATOM 2571 CB ILE S 57 20.696 -12.485 16.322 1.00 0.00 C ATOM 2572 CG1 ILE S 57 20.992 -10.995 16.436 1.00 0.00 C ATOM 2573 CG2 ILE S 57 19.225 -12.670 15.935 1.00 0.00 C ATOM 2574 CD1 ILE S 57 20.918 -10.349 15.049 1.00 0.00 C ATOM 0 H ILE S 57 20.398 -11.300 18.509 1.00 0.00 H new ATOM 0 HA ILE S 57 20.157 -13.933 17.848 1.00 0.00 H new ATOM 0 HB ILE S 57 21.358 -12.915 15.570 1.00 0.00 H new ATOM 0 HG12 ILE S 57 20.275 -10.522 17.107 1.00 0.00 H new ATOM 0 HG13 ILE S 57 21.981 -10.842 16.867 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.035 -12.179 14.981 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.003 -13.733 15.846 1.00 0.00 H new ATOM 0 HG23 ILE S 57 18.589 -12.229 16.702 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.130 -9.283 15.132 1.00 0.00 H new ATOM 0 HD12 ILE S 57 21.652 -10.815 14.391 1.00 0.00 H new ATOM 0 HD13 ILE S 57 19.919 -10.489 14.635 1.00 0.00 H new ATOM 2586 N VAL S 58 23.238 -13.171 17.080 1.00 0.00 N ATOM 2587 CA VAL S 58 24.611 -13.739 16.981 1.00 0.00 C ATOM 2588 C VAL S 58 24.954 -14.611 18.188 1.00 0.00 C ATOM 2589 O VAL S 58 25.366 -15.744 18.037 1.00 0.00 O ATOM 2590 CB VAL S 58 25.604 -12.575 16.931 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.029 -13.125 17.000 1.00 0.00 C ATOM 2592 CG2 VAL S 58 25.420 -11.812 15.617 1.00 0.00 C ATOM 0 H VAL S 58 23.131 -12.228 16.706 1.00 0.00 H new ATOM 0 HA VAL S 58 24.664 -14.359 16.086 1.00 0.00 H new ATOM 0 HB VAL S 58 25.428 -11.905 17.773 1.00 0.00 H new ATOM 0 HG11 VAL S 58 27.740 -12.299 16.965 1.00 0.00 H new ATOM 0 HG12 VAL S 58 27.161 -13.678 17.930 1.00 0.00 H new ATOM 0 HG13 VAL S 58 27.204 -13.790 16.154 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.125 -10.982 15.577 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.602 -12.484 14.778 1.00 0.00 H new ATOM 0 HG23 VAL S 58 24.402 -11.427 15.560 1.00 0.00 H new ATOM 2602 N GLU S 59 24.775 -14.071 19.364 1.00 0.00 N ATOM 2603 CA GLU S 59 25.090 -14.868 20.577 1.00 0.00 C ATOM 2604 C GLU S 59 24.327 -16.197 20.601 1.00 0.00 C ATOM 2605 O GLU S 59 24.894 -17.247 20.375 1.00 0.00 O ATOM 2606 CB GLU S 59 24.686 -14.054 21.810 1.00 0.00 C ATOM 2607 CG GLU S 59 25.043 -14.846 23.070 1.00 0.00 C ATOM 2608 CD GLU S 59 25.212 -13.882 24.246 1.00 0.00 C ATOM 2609 OE1 GLU S 59 24.187 -13.534 24.808 1.00 0.00 O ATOM 2610 OE2 GLU S 59 26.354 -13.547 24.515 1.00 0.00 O ATOM 0 H GLU S 59 24.429 -13.126 19.533 1.00 0.00 H new ATOM 0 HA GLU S 59 26.157 -15.088 20.573 1.00 0.00 H new ATOM 0 HB2 GLU S 59 25.200 -13.093 21.811 1.00 0.00 H new ATOM 0 HB3 GLU S 59 23.617 -13.843 21.788 1.00 0.00 H new ATOM 0 HG2 GLU S 59 24.260 -15.572 23.290 1.00 0.00 H new ATOM 0 HG3 GLU S 59 25.963 -15.408 22.911 1.00 0.00 H new ATOM 2617 N GLU S 60 23.054 -16.116 20.876 1.00 0.00 N ATOM 2618 CA GLU S 60 22.225 -17.353 20.926 1.00 0.00 C ATOM 2619 C GLU S 60 22.454 -18.268 19.721 1.00 0.00 C ATOM 2620 O GLU S 60 22.688 -19.449 19.884 1.00 0.00 O ATOM 2621 CB GLU S 60 20.750 -16.936 20.947 1.00 0.00 C ATOM 2622 CG GLU S 60 20.392 -16.429 22.345 1.00 0.00 C ATOM 2623 CD GLU S 60 19.704 -17.550 23.128 1.00 0.00 C ATOM 2624 OE1 GLU S 60 20.242 -18.644 23.092 1.00 0.00 O ATOM 2625 OE2 GLU S 60 18.679 -17.249 23.717 1.00 0.00 O ATOM 0 H GLU S 60 22.553 -15.248 21.068 1.00 0.00 H new ATOM 0 HA GLU S 60 22.508 -17.911 21.819 1.00 0.00 H new ATOM 0 HB2 GLU S 60 20.569 -16.157 20.207 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.116 -17.782 20.680 1.00 0.00 H new ATOM 0 HG2 GLU S 60 21.291 -16.103 22.868 1.00 0.00 H new ATOM 0 HG3 GLU S 60 19.734 -15.563 22.273 1.00 0.00 H new ATOM 3131 N VAL S 94 27.139 -19.141 5.494 1.00 0.00 N ATOM 3132 CA VAL S 94 28.545 -19.597 5.377 1.00 0.00 C ATOM 3133 C VAL S 94 29.480 -18.411 5.173 1.00 0.00 C ATOM 3134 O VAL S 94 30.641 -18.467 5.526 1.00 0.00 O ATOM 3135 CB VAL S 94 28.652 -20.530 4.168 1.00 0.00 C ATOM 3136 CG1 VAL S 94 29.864 -21.443 4.355 1.00 0.00 C ATOM 3137 CG2 VAL S 94 27.384 -21.381 4.081 1.00 0.00 C ATOM 0 HA VAL S 94 28.832 -20.113 6.293 1.00 0.00 H new ATOM 0 HB VAL S 94 28.766 -19.948 3.253 1.00 0.00 H new ATOM 0 HG11 VAL S 94 29.951 -22.113 3.499 1.00 0.00 H new ATOM 0 HG12 VAL S 94 30.767 -20.837 4.435 1.00 0.00 H new ATOM 0 HG13 VAL S 94 29.740 -22.031 5.265 1.00 0.00 H new ATOM 0 HG21 VAL S 94 27.452 -22.049 3.222 1.00 0.00 H new ATOM 0 HG22 VAL S 94 27.278 -21.971 4.992 1.00 0.00 H new ATOM 0 HG23 VAL S 94 26.517 -20.731 3.967 1.00 0.00 H new ATOM 3147 N GLU S 95 28.961 -17.362 4.598 1.00 0.00 N ATOM 3148 CA GLU S 95 29.813 -16.168 4.370 1.00 0.00 C ATOM 3149 C GLU S 95 29.952 -15.383 5.668 1.00 0.00 C ATOM 3150 O GLU S 95 30.741 -14.465 5.769 1.00 0.00 O ATOM 3151 CB GLU S 95 29.142 -15.278 3.316 1.00 0.00 C ATOM 3152 CG GLU S 95 29.144 -16.005 1.971 1.00 0.00 C ATOM 3153 CD GLU S 95 28.389 -15.163 0.943 1.00 0.00 C ATOM 3154 OE1 GLU S 95 27.377 -14.607 1.337 1.00 0.00 O ATOM 3155 OE2 GLU S 95 28.867 -15.122 -0.179 1.00 0.00 O ATOM 0 H GLU S 95 27.995 -17.282 4.280 1.00 0.00 H new ATOM 0 HA GLU S 95 30.800 -16.480 4.028 1.00 0.00 H new ATOM 0 HB2 GLU S 95 28.120 -15.045 3.616 1.00 0.00 H new ATOM 0 HB3 GLU S 95 29.673 -14.330 3.232 1.00 0.00 H new ATOM 0 HG2 GLU S 95 30.168 -16.175 1.638 1.00 0.00 H new ATOM 0 HG3 GLU S 95 28.675 -16.984 2.072 1.00 0.00 H new ATOM 3162 N LEU S 96 29.170 -15.767 6.638 1.00 0.00 N ATOM 3163 CA LEU S 96 29.221 -15.075 7.948 1.00 0.00 C ATOM 3164 C LEU S 96 30.170 -15.800 8.892 1.00 0.00 C ATOM 3165 O LEU S 96 30.973 -15.183 9.570 1.00 0.00 O ATOM 3166 CB LEU S 96 27.809 -15.072 8.550 1.00 0.00 C ATOM 3167 CG LEU S 96 27.601 -13.774 9.335 1.00 0.00 C ATOM 3168 CD1 LEU S 96 26.184 -13.745 9.901 1.00 0.00 C ATOM 3169 CD2 LEU S 96 28.597 -13.723 10.492 1.00 0.00 C ATOM 0 H LEU S 96 28.498 -16.532 6.576 1.00 0.00 H new ATOM 0 HA LEU S 96 29.580 -14.055 7.809 1.00 0.00 H new ATOM 0 HB2 LEU S 96 27.063 -15.157 7.760 1.00 0.00 H new ATOM 0 HB3 LEU S 96 27.678 -15.933 9.206 1.00 0.00 H new ATOM 0 HG LEU S 96 27.752 -12.920 8.674 1.00 0.00 H new ATOM 0 HD11 LEU S 96 26.034 -12.821 10.460 1.00 0.00 H new ATOM 0 HD12 LEU S 96 25.465 -13.795 9.084 1.00 0.00 H new ATOM 0 HD13 LEU S 96 26.040 -14.598 10.564 1.00 0.00 H new ATOM 0 HD21 LEU S 96 28.454 -12.801 11.055 1.00 0.00 H new ATOM 0 HD22 LEU S 96 28.436 -14.578 11.149 1.00 0.00 H new ATOM 0 HD23 LEU S 96 29.613 -13.754 10.099 1.00 0.00 H new ATOM 3181 N ARG S 97 30.061 -17.097 8.922 1.00 0.00 N ATOM 3182 CA ARG S 97 30.942 -17.876 9.804 1.00 0.00 C ATOM 3183 C ARG S 97 32.396 -17.526 9.515 1.00 0.00 C ATOM 3184 O ARG S 97 33.278 -17.813 10.295 1.00 0.00 O ATOM 3185 CB ARG S 97 30.698 -19.350 9.486 1.00 0.00 C ATOM 3186 CG ARG S 97 29.319 -19.751 10.010 1.00 0.00 C ATOM 3187 CD ARG S 97 29.142 -21.262 9.851 1.00 0.00 C ATOM 3188 NE ARG S 97 29.185 -21.897 11.199 1.00 0.00 N ATOM 3189 CZ ARG S 97 29.716 -23.082 11.336 1.00 0.00 C ATOM 3190 NH1 ARG S 97 29.369 -24.029 10.503 1.00 0.00 N ATOM 3191 NH2 ARG S 97 30.574 -23.283 12.300 1.00 0.00 N ATOM 0 H ARG S 97 29.398 -17.643 8.371 1.00 0.00 H new ATOM 0 HA ARG S 97 30.737 -17.660 10.853 1.00 0.00 H new ATOM 0 HB2 ARG S 97 30.755 -19.518 8.410 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.470 -19.967 9.946 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.219 -19.469 11.058 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.540 -19.222 9.462 1.00 0.00 H new ATOM 0 HD2 ARG S 97 28.193 -21.481 9.361 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.930 -21.669 9.217 1.00 0.00 H new ATOM 0 HE ARG S 97 28.802 -21.409 12.009 1.00 0.00 H new ATOM 0 HH11 ARG S 97 28.695 -23.835 9.763 1.00 0.00 H new ATOM 0 HH12 ARG S 97 29.773 -24.961 10.594 1.00 0.00 H new ATOM 0 HH21 ARG S 97 30.820 -22.520 12.931 1.00 0.00 H new ATOM 0 HH22 ARG S 97 30.998 -24.203 12.422 1.00 0.00 H new ATOM 3205 N GLN S 98 32.609 -16.896 8.392 1.00 0.00 N ATOM 3206 CA GLN S 98 33.983 -16.509 8.013 1.00 0.00 C ATOM 3207 C GLN S 98 34.653 -15.749 9.145 1.00 0.00 C ATOM 3208 O GLN S 98 35.677 -16.153 9.659 1.00 0.00 O ATOM 3209 CB GLN S 98 33.871 -15.576 6.809 1.00 0.00 C ATOM 3210 CG GLN S 98 33.492 -16.388 5.575 1.00 0.00 C ATOM 3211 CD GLN S 98 34.757 -16.952 4.925 1.00 0.00 C ATOM 3212 OE1 GLN S 98 35.786 -16.307 4.882 1.00 0.00 O ATOM 3213 NE2 GLN S 98 34.723 -18.150 4.408 1.00 0.00 N ATOM 0 H GLN S 98 31.884 -16.635 7.724 1.00 0.00 H new ATOM 0 HA GLN S 98 34.572 -17.398 7.789 1.00 0.00 H new ATOM 0 HB2 GLN S 98 33.120 -14.808 6.998 1.00 0.00 H new ATOM 0 HB3 GLN S 98 34.818 -15.062 6.643 1.00 0.00 H new ATOM 0 HG2 GLN S 98 32.821 -17.200 5.854 1.00 0.00 H new ATOM 0 HG3 GLN S 98 32.955 -15.760 4.865 1.00 0.00 H new ATOM 0 HE21 GLN S 98 33.862 -18.696 4.441 1.00 0.00 H new ATOM 0 HE22 GLN S 98 35.558 -18.541 3.971 1.00 0.00 H new ATOM 3222 N TRP S 99 34.050 -14.656 9.508 1.00 0.00 N ATOM 3223 CA TRP S 99 34.621 -13.837 10.603 1.00 0.00 C ATOM 3224 C TRP S 99 34.161 -14.314 11.973 1.00 0.00 C ATOM 3225 O TRP S 99 34.944 -14.460 12.890 1.00 0.00 O ATOM 3226 CB TRP S 99 34.137 -12.401 10.454 1.00 0.00 C ATOM 3227 CG TRP S 99 34.679 -11.642 11.627 1.00 0.00 C ATOM 3228 CD1 TRP S 99 35.985 -11.435 11.846 1.00 0.00 C ATOM 3229 CD2 TRP S 99 33.945 -10.982 12.501 1.00 0.00 C ATOM 3230 NE1 TRP S 99 35.994 -10.601 12.876 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.768 -10.264 13.339 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.568 -10.902 12.646 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.229 -9.463 14.291 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.040 -10.087 13.608 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.879 -9.364 14.420 1.00 0.00 C ATOM 0 H TRP S 99 33.190 -14.296 9.095 1.00 0.00 H new ATOM 0 HA TRP S 99 35.706 -13.920 10.535 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.489 -11.969 9.517 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.048 -12.359 10.435 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.828 -11.848 11.312 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.856 -10.242 13.287 1.00 0.00 H new ATOM 0 HE3 TRP S 99 31.918 -11.479 12.004 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.875 -8.901 14.950 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 30.969 -10.012 13.729 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.461 -8.709 15.170 1.00 0.00 H new ATOM 3246 N LEU S 100 32.887 -14.494 12.097 1.00 0.00 N ATOM 3247 CA LEU S 100 32.340 -14.957 13.393 1.00 0.00 C ATOM 3248 C LEU S 100 33.187 -16.082 13.997 1.00 0.00 C ATOM 3249 O LEU S 100 33.425 -16.110 15.189 1.00 0.00 O ATOM 3250 CB LEU S 100 30.920 -15.437 13.146 1.00 0.00 C ATOM 3251 CG LEU S 100 30.050 -15.035 14.336 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.625 -13.572 14.188 1.00 0.00 C ATOM 3253 CD2 LEU S 100 28.804 -15.910 14.359 1.00 0.00 C ATOM 0 H LEU S 100 32.199 -14.342 11.360 1.00 0.00 H new ATOM 0 HA LEU S 100 32.354 -14.136 14.110 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.528 -15.000 12.228 1.00 0.00 H new ATOM 0 HB3 LEU S 100 30.905 -16.519 13.016 1.00 0.00 H new ATOM 0 HG LEU S 100 30.615 -15.162 15.259 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.004 -13.286 15.037 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.511 -12.937 14.155 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.057 -13.450 13.266 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.178 -15.629 15.206 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.246 -15.772 13.433 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.096 -16.956 14.455 1.00 0.00 H new ATOM 3265 N GLU S 101 33.627 -16.990 13.161 1.00 0.00 N ATOM 3266 CA GLU S 101 34.455 -18.115 13.658 1.00 0.00 C ATOM 3267 C GLU S 101 35.669 -17.592 14.417 1.00 0.00 C ATOM 3268 O GLU S 101 36.232 -18.269 15.254 1.00 0.00 O ATOM 3269 CB GLU S 101 34.945 -18.889 12.431 1.00 0.00 C ATOM 3270 CG GLU S 101 33.866 -19.878 11.977 1.00 0.00 C ATOM 3271 CD GLU S 101 34.130 -21.241 12.615 1.00 0.00 C ATOM 3272 OE1 GLU S 101 34.722 -21.233 13.679 1.00 0.00 O ATOM 3273 OE2 GLU S 101 33.732 -22.214 11.999 1.00 0.00 O ATOM 0 H GLU S 101 33.445 -16.995 12.157 1.00 0.00 H new ATOM 0 HA GLU S 101 33.868 -18.742 14.329 1.00 0.00 H new ATOM 0 HB2 GLU S 101 35.180 -18.197 11.623 1.00 0.00 H new ATOM 0 HB3 GLU S 101 35.864 -19.424 12.670 1.00 0.00 H new ATOM 0 HG2 GLU S 101 32.879 -19.514 12.264 1.00 0.00 H new ATOM 0 HG3 GLU S 101 33.870 -19.965 10.891 1.00 0.00 H new ATOM 3280 N GLU S 102 36.046 -16.393 14.090 1.00 0.00 N ATOM 3281 CA GLU S 102 37.217 -15.769 14.756 1.00 0.00 C ATOM 3282 C GLU S 102 36.799 -14.768 15.834 1.00 0.00 C ATOM 3283 O GLU S 102 37.635 -14.277 16.567 1.00 0.00 O ATOM 3284 CB GLU S 102 38.002 -15.012 13.674 1.00 0.00 C ATOM 3285 CG GLU S 102 38.240 -15.946 12.486 1.00 0.00 C ATOM 3286 CD GLU S 102 39.681 -15.793 11.994 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.558 -16.075 12.795 1.00 0.00 O ATOM 3288 OE2 GLU S 102 39.824 -15.405 10.847 1.00 0.00 O ATOM 0 H GLU S 102 35.590 -15.814 13.385 1.00 0.00 H new ATOM 0 HA GLU S 102 37.808 -16.549 15.236 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.447 -14.130 13.354 1.00 0.00 H new ATOM 0 HB3 GLU S 102 38.954 -14.662 14.074 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.053 -16.979 12.779 1.00 0.00 H new ATOM 0 HG3 GLU S 102 37.543 -15.712 11.681 1.00 0.00 H new ATOM 3295 N VAL S 103 35.521 -14.481 15.919 1.00 0.00 N ATOM 3296 CA VAL S 103 35.064 -13.502 16.958 1.00 0.00 C ATOM 3297 C VAL S 103 34.519 -14.153 18.242 1.00 0.00 C ATOM 3298 O VAL S 103 34.797 -13.671 19.323 1.00 0.00 O ATOM 3299 CB VAL S 103 33.971 -12.610 16.335 1.00 0.00 C ATOM 3300 CG1 VAL S 103 32.572 -13.185 16.596 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.059 -11.218 16.964 1.00 0.00 C ATOM 0 H VAL S 103 34.788 -14.873 15.328 1.00 0.00 H new ATOM 0 HA VAL S 103 35.939 -12.927 17.262 1.00 0.00 H new ATOM 0 HB VAL S 103 34.130 -12.563 15.258 1.00 0.00 H new ATOM 0 HG11 VAL S 103 31.822 -12.535 16.145 1.00 0.00 H new ATOM 0 HG12 VAL S 103 32.500 -14.181 16.158 1.00 0.00 H new ATOM 0 HG13 VAL S 103 32.399 -13.248 17.670 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.292 -10.575 16.533 1.00 0.00 H new ATOM 0 HG22 VAL S 103 33.906 -11.295 18.040 1.00 0.00 H new ATOM 0 HG23 VAL S 103 35.042 -10.791 16.767 1.00 0.00 H new ATOM 3311 N LEU S 104 33.766 -15.220 18.119 1.00 0.00 N ATOM 3312 CA LEU S 104 33.214 -15.877 19.348 1.00 0.00 C ATOM 3313 C LEU S 104 33.923 -17.190 19.673 1.00 0.00 C ATOM 3314 O LEU S 104 33.969 -17.596 20.817 1.00 0.00 O ATOM 3315 CB LEU S 104 31.728 -16.173 19.103 1.00 0.00 C ATOM 3316 CG LEU S 104 30.940 -15.920 20.396 1.00 0.00 C ATOM 3317 CD1 LEU S 104 30.777 -14.411 20.613 1.00 0.00 C ATOM 3318 CD2 LEU S 104 29.553 -16.558 20.276 1.00 0.00 C ATOM 0 H LEU S 104 33.512 -15.660 17.235 1.00 0.00 H new ATOM 0 HA LEU S 104 33.363 -15.202 20.191 1.00 0.00 H new ATOM 0 HB2 LEU S 104 31.347 -15.540 18.302 1.00 0.00 H new ATOM 0 HB3 LEU S 104 31.599 -17.207 18.782 1.00 0.00 H new ATOM 0 HG LEU S 104 31.479 -16.355 21.238 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.217 -14.234 21.531 1.00 0.00 H new ATOM 0 HD12 LEU S 104 31.760 -13.946 20.692 1.00 0.00 H new ATOM 0 HD13 LEU S 104 30.238 -13.978 19.770 1.00 0.00 H new ATOM 0 HD21 LEU S 104 28.990 -16.380 21.192 1.00 0.00 H new ATOM 0 HD22 LEU S 104 29.021 -16.117 19.433 1.00 0.00 H new ATOM 0 HD23 LEU S 104 29.659 -17.631 20.117 1.00 0.00 H new ATOM 3330 N LEU S 105 34.457 -17.834 18.676 1.00 0.00 N ATOM 3331 CA LEU S 105 35.157 -19.117 18.941 1.00 0.00 C ATOM 3332 C LEU S 105 36.557 -18.858 19.508 1.00 0.00 C ATOM 3333 O LEU S 105 37.457 -19.660 19.355 1.00 0.00 O ATOM 3334 CB LEU S 105 35.264 -19.893 17.617 1.00 0.00 C ATOM 3335 CG LEU S 105 34.522 -21.234 17.736 1.00 0.00 C ATOM 3336 CD1 LEU S 105 34.343 -21.831 16.342 1.00 0.00 C ATOM 3337 CD2 LEU S 105 35.344 -22.204 18.590 1.00 0.00 C ATOM 0 H LEU S 105 34.440 -17.532 17.702 1.00 0.00 H new ATOM 0 HA LEU S 105 34.596 -19.696 19.674 1.00 0.00 H new ATOM 0 HB2 LEU S 105 34.840 -19.303 16.804 1.00 0.00 H new ATOM 0 HB3 LEU S 105 36.311 -20.067 17.371 1.00 0.00 H new ATOM 0 HG LEU S 105 33.550 -21.070 18.202 1.00 0.00 H new ATOM 0 HD11 LEU S 105 33.817 -22.783 16.419 1.00 0.00 H new ATOM 0 HD12 LEU S 105 33.764 -21.145 15.724 1.00 0.00 H new ATOM 0 HD13 LEU S 105 35.320 -21.992 15.887 1.00 0.00 H new ATOM 0 HD21 LEU S 105 34.815 -23.154 18.673 1.00 0.00 H new ATOM 0 HD22 LEU S 105 36.314 -22.368 18.122 1.00 0.00 H new ATOM 0 HD23 LEU S 105 35.488 -21.781 19.584 1.00 0.00 H new