USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 27 LYS NZ :NH3+ 143:sc= 0.0248 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -2.15! K(o=-2.1!,f=-0.031) USER MOD Single : R 30 TYR OH : rot 165:sc= 0 USER MOD Single : R 31 GLN : amide:sc=-0.000964 K(o=-0.00096,f=-0.58) USER MOD Single : R 32 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.17) USER MOD Single : R 35 HIS : no HD1:sc= -6.6! C(o=-6.6!,f=-10!) USER MOD Single : R 40 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot -109:sc= 0.872 USER MOD Single : R 53 THR OG1 : rot 103:sc= 1.38 USER MOD Single : R 98 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : S 16 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : S 17 GLN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : S 27 LYS NZ :NH3+ -155:sc= 1.04 (180deg=0.639) USER MOD Single : S 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 31 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : S 32 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.074) USER MOD Single : S 35 HIS : no HD1:sc= -1.03! C(o=-1!,f=-7.3!) USER MOD Single : S 40 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.5!) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot 180:sc= 0 USER MOD Single : S 53 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : S 98 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 22.792 -1.415 27.791 1.00 0.00 N ATOM 181 CA HIS R 16 23.974 -0.590 27.421 1.00 0.00 C ATOM 182 C HIS R 16 25.266 -1.396 27.544 1.00 0.00 C ATOM 183 O HIS R 16 26.124 -1.322 26.686 1.00 0.00 O ATOM 184 CB HIS R 16 24.055 0.624 28.360 1.00 0.00 C ATOM 185 CG HIS R 16 24.464 1.851 27.544 1.00 0.00 C ATOM 186 ND1 HIS R 16 25.656 2.209 27.306 1.00 0.00 N ATOM 187 CD2 HIS R 16 23.675 2.792 26.909 1.00 0.00 C ATOM 188 CE1 HIS R 16 25.674 3.270 26.590 1.00 0.00 C ATOM 189 NE2 HIS R 16 24.456 3.698 26.298 1.00 0.00 N ATOM 0 HA HIS R 16 23.859 -0.268 26.386 1.00 0.00 H new ATOM 0 HB2 HIS R 16 23.092 0.794 28.841 1.00 0.00 H new ATOM 0 HB3 HIS R 16 24.779 0.440 29.154 1.00 0.00 H new ATOM 0 HD2 HIS R 16 22.595 2.798 26.905 1.00 0.00 H new ATOM 0 HE1 HIS R 16 26.579 3.760 26.262 1.00 0.00 H new ATOM 0 HE2 HIS R 16 24.180 4.511 25.748 1.00 0.00 H new ATOM 197 N GLN R 17 25.387 -2.155 28.604 1.00 0.00 N ATOM 198 CA GLN R 17 26.618 -2.957 28.771 1.00 0.00 C ATOM 199 C GLN R 17 26.893 -3.742 27.493 1.00 0.00 C ATOM 200 O GLN R 17 28.000 -4.186 27.253 1.00 0.00 O ATOM 201 CB GLN R 17 26.404 -3.936 29.932 1.00 0.00 C ATOM 202 CG GLN R 17 27.519 -4.974 29.902 1.00 0.00 C ATOM 203 CD GLN R 17 27.721 -5.558 31.302 1.00 0.00 C ATOM 204 OE1 GLN R 17 27.293 -6.656 31.595 1.00 0.00 O ATOM 205 NE2 GLN R 17 28.370 -4.860 32.194 1.00 0.00 N ATOM 0 H GLN R 17 24.693 -2.248 29.346 1.00 0.00 H new ATOM 0 HA GLN R 17 27.465 -2.303 28.979 1.00 0.00 H new ATOM 0 HB2 GLN R 17 26.409 -3.403 30.883 1.00 0.00 H new ATOM 0 HB3 GLN R 17 25.432 -4.422 29.844 1.00 0.00 H new ATOM 0 HG2 GLN R 17 27.270 -5.769 29.199 1.00 0.00 H new ATOM 0 HG3 GLN R 17 28.444 -4.517 29.552 1.00 0.00 H new ATOM 0 HE21 GLN R 17 28.732 -3.937 31.955 1.00 0.00 H new ATOM 0 HE22 GLN R 17 28.515 -5.238 33.130 1.00 0.00 H new ATOM 214 N GLU R 18 25.869 -3.896 26.697 1.00 0.00 N ATOM 215 CA GLU R 18 26.025 -4.638 25.429 1.00 0.00 C ATOM 216 C GLU R 18 26.346 -3.656 24.303 1.00 0.00 C ATOM 217 O GLU R 18 27.010 -3.991 23.341 1.00 0.00 O ATOM 218 CB GLU R 18 24.694 -5.336 25.130 1.00 0.00 C ATOM 219 CG GLU R 18 24.789 -6.017 23.772 1.00 0.00 C ATOM 220 CD GLU R 18 24.172 -7.416 23.863 1.00 0.00 C ATOM 221 OE1 GLU R 18 24.751 -8.219 24.576 1.00 0.00 O ATOM 222 OE2 GLU R 18 23.158 -7.603 23.209 1.00 0.00 O ATOM 0 H GLU R 18 24.932 -3.536 26.877 1.00 0.00 H new ATOM 0 HA GLU R 18 26.832 -5.366 25.507 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.471 -6.069 25.905 1.00 0.00 H new ATOM 0 HB3 GLU R 18 23.880 -4.612 25.132 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.268 -5.426 23.019 1.00 0.00 H new ATOM 0 HG3 GLU R 18 25.831 -6.086 23.459 1.00 0.00 H new ATOM 229 N TRP R 19 25.860 -2.452 24.472 1.00 0.00 N ATOM 230 CA TRP R 19 26.094 -1.390 23.457 1.00 0.00 C ATOM 231 C TRP R 19 27.587 -1.104 23.308 1.00 0.00 C ATOM 232 O TRP R 19 27.987 -0.321 22.472 1.00 0.00 O ATOM 233 CB TRP R 19 25.390 -0.121 23.955 1.00 0.00 C ATOM 234 CG TRP R 19 25.572 1.008 22.947 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.449 2.021 23.080 1.00 0.00 C ATOM 236 CD2 TRP R 19 24.850 1.170 21.839 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.211 2.781 22.012 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.234 2.327 21.189 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.838 0.389 21.306 1.00 0.00 C ATOM 240 CZ2 TRP R 19 24.613 2.704 20.021 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.215 0.770 20.136 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.603 1.926 19.492 1.00 0.00 C ATOM 0 H TRP R 19 25.307 -2.161 25.278 1.00 0.00 H new ATOM 0 HA TRP R 19 25.709 -1.710 22.489 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.328 -0.319 24.103 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.797 0.175 24.922 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.173 2.180 23.865 1.00 0.00 H new ATOM 0 HE1 TRP R 19 26.726 3.642 21.827 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.536 -0.519 21.807 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 24.916 3.610 19.517 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.423 0.163 19.724 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.117 2.222 18.574 1.00 0.00 H new ATOM 253 N LEU R 20 28.376 -1.734 24.142 1.00 0.00 N ATOM 254 CA LEU R 20 29.851 -1.522 24.078 1.00 0.00 C ATOM 255 C LEU R 20 30.587 -2.826 23.766 1.00 0.00 C ATOM 256 O LEU R 20 31.440 -2.874 22.900 1.00 0.00 O ATOM 257 CB LEU R 20 30.328 -1.027 25.448 1.00 0.00 C ATOM 258 CG LEU R 20 29.625 0.289 25.792 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.049 0.732 27.194 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.025 1.368 24.780 1.00 0.00 C ATOM 0 H LEU R 20 28.062 -2.384 24.862 1.00 0.00 H new ATOM 0 HA LEU R 20 30.062 -0.799 23.290 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.114 -1.775 26.211 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.408 -0.882 25.438 1.00 0.00 H new ATOM 0 HG LEU R 20 28.545 0.144 25.758 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.552 1.669 27.445 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.768 -0.033 27.918 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.129 0.876 27.219 1.00 0.00 H new ATOM 0 HD21 LEU R 20 29.523 2.303 25.028 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.104 1.516 24.813 1.00 0.00 H new ATOM 0 HD23 LEU R 20 29.733 1.054 23.778 1.00 0.00 H new ATOM 272 N ARG R 21 30.236 -3.859 24.480 1.00 0.00 N ATOM 273 CA ARG R 21 30.895 -5.175 24.261 1.00 0.00 C ATOM 274 C ARG R 21 30.771 -5.688 22.821 1.00 0.00 C ATOM 275 O ARG R 21 31.767 -6.007 22.198 1.00 0.00 O ATOM 276 CB ARG R 21 30.248 -6.194 25.204 1.00 0.00 C ATOM 277 CG ARG R 21 31.119 -6.330 26.456 1.00 0.00 C ATOM 278 CD ARG R 21 30.321 -7.048 27.548 1.00 0.00 C ATOM 279 NE ARG R 21 31.244 -7.912 28.336 1.00 0.00 N ATOM 280 CZ ARG R 21 31.048 -9.203 28.359 1.00 0.00 C ATOM 281 NH1 ARG R 21 31.128 -9.870 27.241 1.00 0.00 N ATOM 282 NH2 ARG R 21 30.778 -9.782 29.497 1.00 0.00 N ATOM 0 H ARG R 21 29.520 -3.848 25.207 1.00 0.00 H new ATOM 0 HA ARG R 21 31.959 -5.045 24.459 1.00 0.00 H new ATOM 0 HB2 ARG R 21 29.243 -5.871 25.477 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.149 -7.159 24.707 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.026 -6.889 26.224 1.00 0.00 H new ATOM 0 HG3 ARG R 21 31.432 -5.346 26.805 1.00 0.00 H new ATOM 0 HD2 ARG R 21 29.837 -6.321 28.200 1.00 0.00 H new ATOM 0 HD3 ARG R 21 29.530 -7.651 27.101 1.00 0.00 H new ATOM 0 HE ARG R 21 32.021 -7.500 28.852 1.00 0.00 H new ATOM 0 HH11 ARG R 21 31.340 -9.383 26.370 1.00 0.00 H new ATOM 0 HH12 ARG R 21 30.978 -10.879 27.237 1.00 0.00 H new ATOM 0 HH21 ARG R 21 30.723 -9.227 30.351 1.00 0.00 H new ATOM 0 HH22 ARG R 21 30.622 -10.789 29.532 1.00 0.00 H new ATOM 296 N PHE R 22 29.571 -5.764 22.307 1.00 0.00 N ATOM 297 CA PHE R 22 29.430 -6.266 20.908 1.00 0.00 C ATOM 298 C PHE R 22 29.819 -5.211 19.882 1.00 0.00 C ATOM 299 O PHE R 22 30.397 -5.524 18.860 1.00 0.00 O ATOM 300 CB PHE R 22 27.980 -6.665 20.650 1.00 0.00 C ATOM 301 CG PHE R 22 27.881 -7.222 19.225 1.00 0.00 C ATOM 302 CD1 PHE R 22 27.724 -6.367 18.148 1.00 0.00 C ATOM 303 CD2 PHE R 22 27.958 -8.584 18.998 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.649 -6.868 16.864 1.00 0.00 C ATOM 305 CE2 PHE R 22 27.882 -9.083 17.713 1.00 0.00 C ATOM 306 CZ PHE R 22 27.726 -8.226 16.647 1.00 0.00 C ATOM 0 H PHE R 22 28.704 -5.508 22.780 1.00 0.00 H new ATOM 0 HA PHE R 22 30.098 -7.121 20.803 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.658 -7.414 21.374 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.322 -5.804 20.768 1.00 0.00 H new ATOM 0 HD1 PHE R 22 27.660 -5.302 18.313 1.00 0.00 H new ATOM 0 HD2 PHE R 22 28.078 -9.261 19.831 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.530 -6.194 16.028 1.00 0.00 H new ATOM 0 HE2 PHE R 22 27.945 -10.148 17.544 1.00 0.00 H new ATOM 0 HZ PHE R 22 27.664 -8.618 15.642 1.00 0.00 H new ATOM 316 N VAL R 23 29.477 -3.988 20.154 1.00 0.00 N ATOM 317 CA VAL R 23 29.832 -2.919 19.190 1.00 0.00 C ATOM 318 C VAL R 23 31.343 -2.918 18.961 1.00 0.00 C ATOM 319 O VAL R 23 31.818 -2.514 17.918 1.00 0.00 O ATOM 320 CB VAL R 23 29.376 -1.577 19.786 1.00 0.00 C ATOM 321 CG1 VAL R 23 29.594 -0.443 18.777 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.879 -1.674 20.091 1.00 0.00 C ATOM 0 H VAL R 23 28.975 -3.685 20.989 1.00 0.00 H new ATOM 0 HA VAL R 23 29.343 -3.084 18.230 1.00 0.00 H new ATOM 0 HB VAL R 23 29.951 -1.367 20.688 1.00 0.00 H new ATOM 0 HG11 VAL R 23 29.266 0.500 19.214 1.00 0.00 H new ATOM 0 HG12 VAL R 23 30.653 -0.378 18.526 1.00 0.00 H new ATOM 0 HG13 VAL R 23 29.018 -0.644 17.874 1.00 0.00 H new ATOM 0 HG21 VAL R 23 27.532 -0.732 20.515 1.00 0.00 H new ATOM 0 HG22 VAL R 23 27.333 -1.880 19.171 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.704 -2.479 20.804 1.00 0.00 H new ATOM 332 N ASP R 24 32.069 -3.386 19.940 1.00 0.00 N ATOM 333 CA ASP R 24 33.546 -3.424 19.799 1.00 0.00 C ATOM 334 C ASP R 24 33.948 -4.490 18.789 1.00 0.00 C ATOM 335 O ASP R 24 35.073 -4.531 18.330 1.00 0.00 O ATOM 336 CB ASP R 24 34.153 -3.772 21.164 1.00 0.00 C ATOM 337 CG ASP R 24 35.647 -4.051 20.998 1.00 0.00 C ATOM 338 OD1 ASP R 24 36.325 -3.134 20.567 1.00 0.00 O ATOM 339 OD2 ASP R 24 36.026 -5.168 21.312 1.00 0.00 O ATOM 0 H ASP R 24 31.703 -3.740 20.824 1.00 0.00 H new ATOM 0 HA ASP R 24 33.906 -2.455 19.453 1.00 0.00 H new ATOM 0 HB2 ASP R 24 34.001 -2.949 21.863 1.00 0.00 H new ATOM 0 HB3 ASP R 24 33.653 -4.644 21.585 1.00 0.00 H new ATOM 344 N LEU R 25 33.012 -5.340 18.471 1.00 0.00 N ATOM 345 CA LEU R 25 33.292 -6.419 17.495 1.00 0.00 C ATOM 346 C LEU R 25 32.930 -5.969 16.084 1.00 0.00 C ATOM 347 O LEU R 25 33.630 -6.266 15.140 1.00 0.00 O ATOM 348 CB LEU R 25 32.431 -7.628 17.864 1.00 0.00 C ATOM 349 CG LEU R 25 32.593 -7.917 19.356 1.00 0.00 C ATOM 350 CD1 LEU R 25 31.751 -9.137 19.717 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.066 -8.205 19.653 1.00 0.00 C ATOM 0 H LEU R 25 32.064 -5.331 18.848 1.00 0.00 H new ATOM 0 HA LEU R 25 34.353 -6.669 17.522 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.385 -7.431 17.630 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.730 -8.497 17.278 1.00 0.00 H new ATOM 0 HG LEU R 25 32.265 -7.058 19.942 1.00 0.00 H new ATOM 0 HD11 LEU R 25 31.859 -9.352 20.780 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.704 -8.936 19.492 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.088 -9.996 19.137 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.189 -8.412 20.716 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.391 -9.070 19.075 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.668 -7.339 19.380 1.00 0.00 H new ATOM 363 N LEU R 26 31.835 -5.266 15.957 1.00 0.00 N ATOM 364 CA LEU R 26 31.445 -4.801 14.600 1.00 0.00 C ATOM 365 C LEU R 26 32.662 -4.192 13.913 1.00 0.00 C ATOM 366 O LEU R 26 32.806 -4.255 12.707 1.00 0.00 O ATOM 367 CB LEU R 26 30.342 -3.739 14.744 1.00 0.00 C ATOM 368 CG LEU R 26 29.983 -3.157 13.368 1.00 0.00 C ATOM 369 CD1 LEU R 26 29.623 -4.285 12.397 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.771 -2.235 13.525 1.00 0.00 C ATOM 0 H LEU R 26 31.209 -5.000 16.717 1.00 0.00 H new ATOM 0 HA LEU R 26 31.076 -5.635 14.003 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.458 -4.182 15.201 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.678 -2.942 15.407 1.00 0.00 H new ATOM 0 HG LEU R 26 30.837 -2.604 12.976 1.00 0.00 H new ATOM 0 HD11 LEU R 26 29.370 -3.862 11.425 1.00 0.00 H new ATOM 0 HD12 LEU R 26 30.474 -4.958 12.290 1.00 0.00 H new ATOM 0 HD13 LEU R 26 28.768 -4.840 12.784 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.505 -1.815 12.555 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.928 -2.805 13.916 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.015 -1.428 14.216 1.00 0.00 H new ATOM 382 N LYS R 27 33.521 -3.611 14.709 1.00 0.00 N ATOM 383 CA LYS R 27 34.744 -2.990 14.148 1.00 0.00 C ATOM 384 C LYS R 27 35.723 -4.072 13.709 1.00 0.00 C ATOM 385 O LYS R 27 36.296 -3.999 12.640 1.00 0.00 O ATOM 386 CB LYS R 27 35.395 -2.145 15.247 1.00 0.00 C ATOM 387 CG LYS R 27 34.280 -1.468 16.052 1.00 0.00 C ATOM 388 CD LYS R 27 34.809 -0.215 16.768 1.00 0.00 C ATOM 389 CE LYS R 27 35.569 -0.628 18.030 1.00 0.00 C ATOM 390 NZ LYS R 27 36.807 0.184 18.179 1.00 0.00 N ATOM 0 H LYS R 27 33.424 -3.543 15.722 1.00 0.00 H new ATOM 0 HA LYS R 27 34.486 -2.374 13.286 1.00 0.00 H new ATOM 0 HB2 LYS R 27 36.007 -2.771 15.896 1.00 0.00 H new ATOM 0 HB3 LYS R 27 36.057 -1.397 14.810 1.00 0.00 H new ATOM 0 HG2 LYS R 27 33.460 -1.194 15.388 1.00 0.00 H new ATOM 0 HG3 LYS R 27 33.877 -2.168 16.784 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.466 0.346 16.103 1.00 0.00 H new ATOM 0 HD3 LYS R 27 33.981 0.444 17.029 1.00 0.00 H new ATOM 0 HE2 LYS R 27 34.933 -0.496 18.905 1.00 0.00 H new ATOM 0 HE3 LYS R 27 35.825 -1.686 17.978 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 36.968 0.390 19.186 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 37.618 -0.346 17.800 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 36.702 1.077 17.656 1.00 0.00 H new ATOM 404 N ASN R 28 35.895 -5.061 14.547 1.00 0.00 N ATOM 405 CA ASN R 28 36.833 -6.155 14.188 1.00 0.00 C ATOM 406 C ASN R 28 36.559 -6.632 12.760 1.00 0.00 C ATOM 407 O ASN R 28 37.474 -6.836 11.988 1.00 0.00 O ATOM 408 CB ASN R 28 36.626 -7.317 15.175 1.00 0.00 C ATOM 409 CG ASN R 28 37.313 -6.981 16.500 1.00 0.00 C ATOM 410 OD1 ASN R 28 37.639 -7.851 17.281 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.547 -5.731 16.790 1.00 0.00 N ATOM 0 H ASN R 28 35.432 -5.155 15.451 1.00 0.00 H new ATOM 0 HA ASN R 28 37.861 -5.796 14.242 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.562 -7.487 15.337 1.00 0.00 H new ATOM 0 HB3 ASN R 28 37.037 -8.238 14.762 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.002 -5.488 17.670 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.275 -4.996 16.137 1.00 0.00 H new ATOM 418 N ALA R 29 35.301 -6.802 12.430 1.00 0.00 N ATOM 419 CA ALA R 29 34.964 -7.263 11.053 1.00 0.00 C ATOM 420 C ALA R 29 35.304 -6.192 10.029 1.00 0.00 C ATOM 421 O ALA R 29 36.089 -6.437 9.138 1.00 0.00 O ATOM 422 CB ALA R 29 33.460 -7.559 10.989 1.00 0.00 C ATOM 0 H ALA R 29 34.505 -6.643 13.048 1.00 0.00 H new ATOM 0 HA ALA R 29 35.543 -8.158 10.826 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.198 -7.898 9.987 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.211 -8.337 11.711 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.901 -6.653 11.224 1.00 0.00 H new ATOM 428 N TYR R 30 34.702 -5.035 10.160 1.00 0.00 N ATOM 429 CA TYR R 30 35.000 -3.951 9.184 1.00 0.00 C ATOM 430 C TYR R 30 36.465 -4.001 8.812 1.00 0.00 C ATOM 431 O TYR R 30 36.791 -4.485 7.728 1.00 0.00 O ATOM 432 CB TYR R 30 34.710 -2.587 9.839 1.00 0.00 C ATOM 433 CG TYR R 30 33.313 -2.099 9.454 1.00 0.00 C ATOM 434 CD1 TYR R 30 33.030 -1.745 8.149 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.337 -1.933 10.417 1.00 0.00 C ATOM 436 CE1 TYR R 30 31.795 -1.226 7.817 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.103 -1.416 10.084 1.00 0.00 C ATOM 438 CZ TYR R 30 30.822 -1.058 8.780 1.00 0.00 C ATOM 439 OH TYR R 30 29.586 -0.539 8.442 1.00 0.00 O ATOM 0 H TYR R 30 34.029 -4.800 10.889 1.00 0.00 H new ATOM 0 HA TYR R 30 34.382 -4.083 8.296 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.787 -2.673 10.923 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.457 -1.858 9.523 1.00 0.00 H new ATOM 0 HD1 TYR R 30 33.780 -1.875 7.383 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.542 -2.211 11.440 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.589 -0.949 6.794 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.351 -1.290 10.848 1.00 0.00 H new ATOM 0 HH TYR R 30 28.950 -0.708 9.169 1.00 0.00 H new ATOM 449 N GLN R 31 37.274 -3.686 9.825 1.00 0.00 N ATOM 450 CA GLN R 31 38.764 -3.655 9.717 1.00 0.00 C ATOM 451 C GLN R 31 39.204 -3.808 8.287 1.00 0.00 C ATOM 452 O GLN R 31 39.735 -2.891 7.692 1.00 0.00 O ATOM 453 CB GLN R 31 39.307 -4.833 10.542 1.00 0.00 C ATOM 454 CG GLN R 31 40.801 -4.643 10.791 1.00 0.00 C ATOM 455 CD GLN R 31 41.352 -5.908 11.450 1.00 0.00 C ATOM 456 OE1 GLN R 31 41.049 -7.013 11.044 1.00 0.00 O ATOM 457 NE2 GLN R 31 42.160 -5.794 12.468 1.00 0.00 N ATOM 0 H GLN R 31 36.930 -3.442 10.753 1.00 0.00 H new ATOM 0 HA GLN R 31 39.141 -2.701 10.084 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.776 -4.899 11.492 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.133 -5.770 10.013 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.319 -4.450 9.852 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.970 -3.778 11.432 1.00 0.00 H new ATOM 0 HE21 GLN R 31 42.418 -4.870 12.813 1.00 0.00 H new ATOM 0 HE22 GLN R 31 42.534 -6.629 12.919 1.00 0.00 H new ATOM 466 N ASN R 32 38.969 -4.954 7.769 1.00 0.00 N ATOM 467 CA ASN R 32 39.355 -5.204 6.372 1.00 0.00 C ATOM 468 C ASN R 32 38.100 -5.008 5.515 1.00 0.00 C ATOM 469 O ASN R 32 37.821 -3.920 5.052 1.00 0.00 O ATOM 470 CB ASN R 32 39.898 -6.650 6.279 1.00 0.00 C ATOM 471 CG ASN R 32 41.056 -6.688 5.282 1.00 0.00 C ATOM 472 OD1 ASN R 32 41.086 -7.499 4.379 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.029 -5.829 5.414 1.00 0.00 N ATOM 0 H ASN R 32 38.525 -5.736 8.249 1.00 0.00 H new ATOM 0 HA ASN R 32 40.133 -4.526 6.020 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.235 -6.989 7.259 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.107 -7.329 5.962 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.811 -5.840 4.760 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.007 -5.146 6.171 1.00 0.00 H new ATOM 480 N ASP R 33 37.384 -6.060 5.322 1.00 0.00 N ATOM 481 CA ASP R 33 36.151 -6.009 4.523 1.00 0.00 C ATOM 482 C ASP R 33 35.269 -7.130 5.020 1.00 0.00 C ATOM 483 O ASP R 33 34.428 -7.637 4.303 1.00 0.00 O ATOM 484 CB ASP R 33 36.513 -6.259 3.064 1.00 0.00 C ATOM 485 CG ASP R 33 37.538 -5.219 2.608 1.00 0.00 C ATOM 486 OD1 ASP R 33 37.202 -4.049 2.705 1.00 0.00 O ATOM 487 OD2 ASP R 33 38.599 -5.650 2.189 1.00 0.00 O ATOM 0 H ASP R 33 37.609 -6.982 5.696 1.00 0.00 H new ATOM 0 HA ASP R 33 35.647 -5.046 4.610 1.00 0.00 H new ATOM 0 HB2 ASP R 33 36.921 -7.263 2.946 1.00 0.00 H new ATOM 0 HB3 ASP R 33 35.620 -6.202 2.442 1.00 0.00 H new ATOM 492 N LEU R 34 35.483 -7.505 6.253 1.00 0.00 N ATOM 493 CA LEU R 34 34.679 -8.614 6.817 1.00 0.00 C ATOM 494 C LEU R 34 33.364 -8.191 7.473 1.00 0.00 C ATOM 495 O LEU R 34 32.793 -8.945 8.238 1.00 0.00 O ATOM 496 CB LEU R 34 35.592 -9.328 7.815 1.00 0.00 C ATOM 497 CG LEU R 34 36.829 -9.848 7.053 1.00 0.00 C ATOM 498 CD1 LEU R 34 38.081 -9.648 7.912 1.00 0.00 C ATOM 499 CD2 LEU R 34 36.657 -11.334 6.726 1.00 0.00 C ATOM 0 H LEU R 34 36.172 -7.094 6.883 1.00 0.00 H new ATOM 0 HA LEU R 34 34.354 -9.262 6.003 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.894 -8.645 8.609 1.00 0.00 H new ATOM 0 HB3 LEU R 34 35.063 -10.155 8.290 1.00 0.00 H new ATOM 0 HG LEU R 34 36.936 -9.291 6.122 1.00 0.00 H new ATOM 0 HD11 LEU R 34 38.954 -10.015 7.373 1.00 0.00 H new ATOM 0 HD12 LEU R 34 38.208 -8.587 8.129 1.00 0.00 H new ATOM 0 HD13 LEU R 34 37.973 -10.199 8.846 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.535 -11.692 6.188 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.542 -11.899 7.651 1.00 0.00 H new ATOM 0 HD23 LEU R 34 35.771 -11.470 6.106 1.00 0.00 H new ATOM 511 N HIS R 35 32.903 -7.009 7.170 1.00 0.00 N ATOM 512 CA HIS R 35 31.618 -6.552 7.783 1.00 0.00 C ATOM 513 C HIS R 35 30.465 -6.723 6.805 1.00 0.00 C ATOM 514 O HIS R 35 29.339 -6.907 7.202 1.00 0.00 O ATOM 515 CB HIS R 35 31.710 -5.063 8.109 1.00 0.00 C ATOM 516 CG HIS R 35 32.055 -4.299 6.825 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.152 -4.384 6.193 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.280 -3.432 6.079 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.120 -3.659 5.136 1.00 0.00 C ATOM 520 NE2 HIS R 35 31.966 -3.026 4.998 1.00 0.00 N ATOM 0 H HIS R 35 33.350 -6.347 6.535 1.00 0.00 H new ATOM 0 HA HIS R 35 31.445 -7.147 8.680 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.765 -4.707 8.518 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.472 -4.889 8.869 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.274 -3.127 6.328 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.940 -3.575 4.439 1.00 0.00 H new ATOM 0 HE2 HIS R 35 31.672 -2.390 4.257 1.00 0.00 H new ATOM 528 N LEU R 36 30.777 -6.667 5.540 1.00 0.00 N ATOM 529 CA LEU R 36 29.717 -6.817 4.507 1.00 0.00 C ATOM 530 C LEU R 36 28.836 -8.061 4.707 1.00 0.00 C ATOM 531 O LEU R 36 27.627 -7.957 4.663 1.00 0.00 O ATOM 532 CB LEU R 36 30.383 -6.890 3.130 1.00 0.00 C ATOM 533 CG LEU R 36 29.948 -5.675 2.292 1.00 0.00 C ATOM 534 CD1 LEU R 36 30.733 -5.658 0.977 1.00 0.00 C ATOM 535 CD2 LEU R 36 28.446 -5.767 1.979 1.00 0.00 C ATOM 0 H LEU R 36 31.720 -6.524 5.178 1.00 0.00 H new ATOM 0 HA LEU R 36 29.060 -5.952 4.593 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.468 -6.903 3.238 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.102 -7.814 2.625 1.00 0.00 H new ATOM 0 HG LEU R 36 30.146 -4.763 2.855 1.00 0.00 H new ATOM 0 HD11 LEU R 36 30.427 -4.798 0.381 1.00 0.00 H new ATOM 0 HD12 LEU R 36 31.800 -5.590 1.191 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.532 -6.574 0.422 1.00 0.00 H new ATOM 0 HD21 LEU R 36 28.144 -4.904 1.386 1.00 0.00 H new ATOM 0 HD22 LEU R 36 28.246 -6.680 1.419 1.00 0.00 H new ATOM 0 HD23 LEU R 36 27.880 -5.782 2.911 1.00 0.00 H new ATOM 547 N PRO R 37 29.427 -9.220 4.913 1.00 0.00 N ATOM 548 CA PRO R 37 28.621 -10.431 5.105 1.00 0.00 C ATOM 549 C PRO R 37 27.852 -10.374 6.428 1.00 0.00 C ATOM 550 O PRO R 37 26.641 -10.452 6.435 1.00 0.00 O ATOM 551 CB PRO R 37 29.631 -11.588 5.093 1.00 0.00 C ATOM 552 CG PRO R 37 31.050 -10.960 5.110 1.00 0.00 C ATOM 553 CD PRO R 37 30.892 -9.435 4.967 1.00 0.00 C ATOM 0 HA PRO R 37 27.866 -10.548 4.328 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.486 -12.234 5.959 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.495 -12.208 4.207 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.565 -11.205 6.039 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.654 -11.359 4.295 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.340 -8.908 5.810 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.381 -9.068 4.065 1.00 0.00 H new ATOM 561 N LEU R 38 28.554 -10.243 7.524 1.00 0.00 N ATOM 562 CA LEU R 38 27.829 -10.178 8.822 1.00 0.00 C ATOM 563 C LEU R 38 26.827 -9.048 8.745 1.00 0.00 C ATOM 564 O LEU R 38 25.760 -9.107 9.314 1.00 0.00 O ATOM 565 CB LEU R 38 28.860 -9.957 9.953 1.00 0.00 C ATOM 566 CG LEU R 38 28.825 -8.515 10.498 1.00 0.00 C ATOM 567 CD1 LEU R 38 27.565 -8.293 11.352 1.00 0.00 C ATOM 568 CD2 LEU R 38 30.055 -8.303 11.377 1.00 0.00 C ATOM 0 H LEU R 38 29.571 -10.180 7.576 1.00 0.00 H new ATOM 0 HA LEU R 38 27.292 -11.103 9.032 1.00 0.00 H new ATOM 0 HB2 LEU R 38 28.661 -10.656 10.766 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.860 -10.179 9.580 1.00 0.00 H new ATOM 0 HG LEU R 38 28.815 -7.815 9.663 1.00 0.00 H new ATOM 0 HD11 LEU R 38 27.556 -7.270 11.729 1.00 0.00 H new ATOM 0 HD12 LEU R 38 26.678 -8.463 10.742 1.00 0.00 H new ATOM 0 HD13 LEU R 38 27.567 -8.989 12.191 1.00 0.00 H new ATOM 0 HD21 LEU R 38 30.049 -7.287 11.773 1.00 0.00 H new ATOM 0 HD22 LEU R 38 30.039 -9.014 12.203 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.957 -8.456 10.784 1.00 0.00 H new ATOM 580 N LEU R 39 27.199 -8.034 8.028 1.00 0.00 N ATOM 581 CA LEU R 39 26.268 -6.880 7.896 1.00 0.00 C ATOM 582 C LEU R 39 25.011 -7.357 7.182 1.00 0.00 C ATOM 583 O LEU R 39 23.921 -6.897 7.453 1.00 0.00 O ATOM 584 CB LEU R 39 26.943 -5.772 7.058 1.00 0.00 C ATOM 585 CG LEU R 39 25.919 -4.703 6.653 1.00 0.00 C ATOM 586 CD1 LEU R 39 25.281 -4.107 7.903 1.00 0.00 C ATOM 587 CD2 LEU R 39 26.638 -3.595 5.883 1.00 0.00 C ATOM 0 H LEU R 39 28.088 -7.949 7.535 1.00 0.00 H new ATOM 0 HA LEU R 39 26.016 -6.484 8.880 1.00 0.00 H new ATOM 0 HB2 LEU R 39 27.748 -5.313 7.632 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.395 -6.207 6.167 1.00 0.00 H new ATOM 0 HG LEU R 39 25.146 -5.153 6.030 1.00 0.00 H new ATOM 0 HD11 LEU R 39 24.554 -3.348 7.614 1.00 0.00 H new ATOM 0 HD12 LEU R 39 24.779 -4.894 8.466 1.00 0.00 H new ATOM 0 HD13 LEU R 39 26.053 -3.652 8.524 1.00 0.00 H new ATOM 0 HD21 LEU R 39 25.919 -2.830 5.590 1.00 0.00 H new ATOM 0 HD22 LEU R 39 27.404 -3.149 6.517 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.104 -4.015 4.992 1.00 0.00 H new ATOM 599 N ASN R 40 25.199 -8.282 6.281 1.00 0.00 N ATOM 600 CA ASN R 40 24.038 -8.814 5.528 1.00 0.00 C ATOM 601 C ASN R 40 23.199 -9.746 6.405 1.00 0.00 C ATOM 602 O ASN R 40 22.044 -9.997 6.120 1.00 0.00 O ATOM 603 CB ASN R 40 24.565 -9.604 4.328 1.00 0.00 C ATOM 604 CG ASN R 40 23.570 -9.497 3.169 1.00 0.00 C ATOM 605 OD1 ASN R 40 23.412 -8.452 2.570 1.00 0.00 O ATOM 606 ND2 ASN R 40 22.886 -10.552 2.819 1.00 0.00 N ATOM 0 H ASN R 40 26.103 -8.688 6.038 1.00 0.00 H new ATOM 0 HA ASN R 40 23.410 -7.983 5.206 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.537 -9.217 4.023 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.709 -10.649 4.602 1.00 0.00 H new ATOM 0 HD21 ASN R 40 22.223 -10.496 2.046 1.00 0.00 H new ATOM 0 HD22 ASN R 40 23.015 -11.432 3.318 1.00 0.00 H new ATOM 613 N LEU R 41 23.796 -10.250 7.454 1.00 0.00 N ATOM 614 CA LEU R 41 23.038 -11.164 8.351 1.00 0.00 C ATOM 615 C LEU R 41 21.676 -10.560 8.674 1.00 0.00 C ATOM 616 O LEU R 41 20.649 -11.159 8.426 1.00 0.00 O ATOM 617 CB LEU R 41 23.834 -11.326 9.663 1.00 0.00 C ATOM 618 CG LEU R 41 23.078 -12.229 10.655 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.858 -13.617 10.044 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.915 -12.370 11.932 1.00 0.00 C ATOM 0 H LEU R 41 24.763 -10.070 7.724 1.00 0.00 H new ATOM 0 HA LEU R 41 22.898 -12.128 7.862 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.813 -11.754 9.449 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.005 -10.348 10.113 1.00 0.00 H new ATOM 0 HG LEU R 41 22.110 -11.783 10.883 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.323 -14.247 10.755 1.00 0.00 H new ATOM 0 HD12 LEU R 41 22.273 -13.523 9.129 1.00 0.00 H new ATOM 0 HD13 LEU R 41 23.822 -14.070 9.813 1.00 0.00 H new ATOM 0 HD21 LEU R 41 23.390 -13.008 12.643 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.879 -12.816 11.688 1.00 0.00 H new ATOM 0 HD23 LEU R 41 24.072 -11.386 12.374 1.00 0.00 H new ATOM 632 N MET R 42 21.710 -9.374 9.222 1.00 0.00 N ATOM 633 CA MET R 42 20.438 -8.680 9.585 1.00 0.00 C ATOM 634 C MET R 42 20.150 -7.515 8.620 1.00 0.00 C ATOM 635 O MET R 42 19.881 -6.403 9.025 1.00 0.00 O ATOM 636 CB MET R 42 20.590 -8.158 11.029 1.00 0.00 C ATOM 637 CG MET R 42 19.510 -8.793 11.910 1.00 0.00 C ATOM 638 SD MET R 42 17.784 -8.428 11.511 1.00 0.00 S ATOM 639 CE MET R 42 17.055 -9.848 12.366 1.00 0.00 C ATOM 0 H MET R 42 22.562 -8.856 9.434 1.00 0.00 H new ATOM 0 HA MET R 42 19.599 -9.373 9.512 1.00 0.00 H new ATOM 0 HB2 MET R 42 21.580 -8.402 11.414 1.00 0.00 H new ATOM 0 HB3 MET R 42 20.499 -7.072 11.047 1.00 0.00 H new ATOM 0 HG2 MET R 42 19.641 -9.875 11.876 1.00 0.00 H new ATOM 0 HG3 MET R 42 19.690 -8.482 12.939 1.00 0.00 H new ATOM 0 HE1 MET R 42 15.971 -9.826 12.250 1.00 0.00 H new ATOM 0 HE2 MET R 42 17.447 -10.771 11.938 1.00 0.00 H new ATOM 0 HE3 MET R 42 17.307 -9.804 13.425 1.00 0.00 H new ATOM 649 N LEU R 43 20.191 -7.807 7.348 1.00 0.00 N ATOM 650 CA LEU R 43 19.928 -6.753 6.339 1.00 0.00 C ATOM 651 C LEU R 43 18.444 -6.377 6.284 1.00 0.00 C ATOM 652 O LEU R 43 18.020 -5.626 5.429 1.00 0.00 O ATOM 653 CB LEU R 43 20.415 -7.307 4.983 1.00 0.00 C ATOM 654 CG LEU R 43 19.273 -7.946 4.162 1.00 0.00 C ATOM 655 CD1 LEU R 43 18.605 -6.912 3.235 1.00 0.00 C ATOM 656 CD2 LEU R 43 19.874 -9.057 3.296 1.00 0.00 C ATOM 0 H LEU R 43 20.396 -8.731 6.968 1.00 0.00 H new ATOM 0 HA LEU R 43 20.457 -5.836 6.599 1.00 0.00 H new ATOM 0 HB2 LEU R 43 20.866 -6.500 4.405 1.00 0.00 H new ATOM 0 HB3 LEU R 43 21.194 -8.050 5.156 1.00 0.00 H new ATOM 0 HG LEU R 43 18.520 -8.334 4.848 1.00 0.00 H new ATOM 0 HD11 LEU R 43 17.806 -7.392 2.671 1.00 0.00 H new ATOM 0 HD12 LEU R 43 18.190 -6.101 3.834 1.00 0.00 H new ATOM 0 HD13 LEU R 43 19.346 -6.510 2.544 1.00 0.00 H new ATOM 0 HD21 LEU R 43 19.086 -9.525 2.706 1.00 0.00 H new ATOM 0 HD22 LEU R 43 20.624 -8.633 2.629 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.340 -9.806 3.937 1.00 0.00 H new ATOM 668 N THR R 44 17.689 -6.891 7.213 1.00 0.00 N ATOM 669 CA THR R 44 16.233 -6.581 7.235 1.00 0.00 C ATOM 670 C THR R 44 15.986 -5.089 6.944 1.00 0.00 C ATOM 671 O THR R 44 16.847 -4.267 7.183 1.00 0.00 O ATOM 672 CB THR R 44 15.712 -6.913 8.637 1.00 0.00 C ATOM 673 OG1 THR R 44 16.781 -6.608 9.515 1.00 0.00 O ATOM 674 CG2 THR R 44 15.508 -8.425 8.788 1.00 0.00 C ATOM 0 H THR R 44 18.015 -7.510 7.955 1.00 0.00 H new ATOM 0 HA THR R 44 15.720 -7.165 6.471 1.00 0.00 H new ATOM 0 HB THR R 44 14.782 -6.377 8.827 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.158 -7.439 9.872 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.138 -8.644 9.790 1.00 0.00 H new ATOM 0 HG22 THR R 44 14.784 -8.770 8.050 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.457 -8.938 8.632 1.00 0.00 H new ATOM 682 N PRO R 45 14.817 -4.756 6.424 1.00 0.00 N ATOM 683 CA PRO R 45 14.492 -3.352 6.113 1.00 0.00 C ATOM 684 C PRO R 45 14.627 -2.450 7.340 1.00 0.00 C ATOM 685 O PRO R 45 14.741 -1.247 7.212 1.00 0.00 O ATOM 686 CB PRO R 45 13.023 -3.380 5.654 1.00 0.00 C ATOM 687 CG PRO R 45 12.539 -4.850 5.705 1.00 0.00 C ATOM 688 CD PRO R 45 13.740 -5.718 6.103 1.00 0.00 C ATOM 0 HA PRO R 45 15.171 -2.952 5.360 1.00 0.00 H new ATOM 0 HB2 PRO R 45 12.409 -2.753 6.300 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.931 -2.982 4.643 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.729 -4.962 6.426 1.00 0.00 H new ATOM 0 HG3 PRO R 45 12.148 -5.159 4.736 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.505 -6.348 6.961 1.00 0.00 H new ATOM 0 HD3 PRO R 45 14.033 -6.383 5.290 1.00 0.00 H new ATOM 696 N ASP R 46 14.614 -3.043 8.503 1.00 0.00 N ATOM 697 CA ASP R 46 14.741 -2.219 9.735 1.00 0.00 C ATOM 698 C ASP R 46 15.983 -1.333 9.668 1.00 0.00 C ATOM 699 O ASP R 46 15.967 -0.203 10.113 1.00 0.00 O ATOM 700 CB ASP R 46 14.873 -3.160 10.941 1.00 0.00 C ATOM 701 CG ASP R 46 13.729 -2.893 11.923 1.00 0.00 C ATOM 702 OD1 ASP R 46 12.611 -3.206 11.551 1.00 0.00 O ATOM 703 OD2 ASP R 46 14.040 -2.394 12.993 1.00 0.00 O ATOM 0 H ASP R 46 14.522 -4.048 8.651 1.00 0.00 H new ATOM 0 HA ASP R 46 13.860 -1.584 9.829 1.00 0.00 H new ATOM 0 HB2 ASP R 46 14.848 -4.198 10.610 1.00 0.00 H new ATOM 0 HB3 ASP R 46 15.833 -3.005 11.433 1.00 0.00 H new ATOM 708 N GLU R 47 17.036 -1.866 9.111 1.00 0.00 N ATOM 709 CA GLU R 47 18.289 -1.071 9.003 1.00 0.00 C ATOM 710 C GLU R 47 18.247 -0.147 7.790 1.00 0.00 C ATOM 711 O GLU R 47 18.728 0.968 7.835 1.00 0.00 O ATOM 712 CB GLU R 47 19.462 -2.044 8.836 1.00 0.00 C ATOM 713 CG GLU R 47 19.550 -2.940 10.072 1.00 0.00 C ATOM 714 CD GLU R 47 18.457 -4.009 10.007 1.00 0.00 C ATOM 715 OE1 GLU R 47 18.351 -4.613 8.954 1.00 0.00 O ATOM 716 OE2 GLU R 47 17.793 -4.166 11.017 1.00 0.00 O ATOM 0 H GLU R 47 17.082 -2.811 8.729 1.00 0.00 H new ATOM 0 HA GLU R 47 18.402 -0.463 9.901 1.00 0.00 H new ATOM 0 HB2 GLU R 47 19.323 -2.651 7.941 1.00 0.00 H new ATOM 0 HB3 GLU R 47 20.393 -1.492 8.705 1.00 0.00 H new ATOM 0 HG2 GLU R 47 20.532 -3.411 10.123 1.00 0.00 H new ATOM 0 HG3 GLU R 47 19.436 -2.342 10.976 1.00 0.00 H new ATOM 723 N ARG R 48 17.675 -0.633 6.723 1.00 0.00 N ATOM 724 CA ARG R 48 17.591 0.198 5.495 1.00 0.00 C ATOM 725 C ARG R 48 17.077 1.600 5.813 1.00 0.00 C ATOM 726 O ARG R 48 17.691 2.586 5.455 1.00 0.00 O ATOM 727 CB ARG R 48 16.609 -0.476 4.529 1.00 0.00 C ATOM 728 CG ARG R 48 16.761 0.150 3.141 1.00 0.00 C ATOM 729 CD ARG R 48 15.934 -0.654 2.136 1.00 0.00 C ATOM 730 NE ARG R 48 16.771 -1.759 1.592 1.00 0.00 N ATOM 731 CZ ARG R 48 16.458 -2.296 0.445 1.00 0.00 C ATOM 732 NH1 ARG R 48 15.198 -2.410 0.125 1.00 0.00 N ATOM 733 NH2 ARG R 48 17.415 -2.699 -0.347 1.00 0.00 N ATOM 0 H ARG R 48 17.265 -1.564 6.651 1.00 0.00 H new ATOM 0 HA ARG R 48 18.585 0.285 5.057 1.00 0.00 H new ATOM 0 HB2 ARG R 48 16.804 -1.547 4.481 1.00 0.00 H new ATOM 0 HB3 ARG R 48 15.587 -0.354 4.886 1.00 0.00 H new ATOM 0 HG2 ARG R 48 16.427 1.188 3.158 1.00 0.00 H new ATOM 0 HG3 ARG R 48 17.810 0.157 2.845 1.00 0.00 H new ATOM 0 HD2 ARG R 48 15.044 -1.058 2.619 1.00 0.00 H new ATOM 0 HD3 ARG R 48 15.592 -0.008 1.328 1.00 0.00 H new ATOM 0 HE ARG R 48 17.582 -2.093 2.112 1.00 0.00 H new ATOM 0 HH11 ARG R 48 14.477 -2.082 0.767 1.00 0.00 H new ATOM 0 HH12 ARG R 48 14.934 -2.827 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG R 48 18.389 -2.592 -0.065 1.00 0.00 H new ATOM 0 HH22 ARG R 48 17.188 -3.121 -1.247 1.00 0.00 H new ATOM 747 N GLU R 49 15.961 1.662 6.481 1.00 0.00 N ATOM 748 CA GLU R 49 15.389 2.986 6.836 1.00 0.00 C ATOM 749 C GLU R 49 16.443 3.895 7.466 1.00 0.00 C ATOM 750 O GLU R 49 16.314 5.103 7.442 1.00 0.00 O ATOM 751 CB GLU R 49 14.264 2.762 7.857 1.00 0.00 C ATOM 752 CG GLU R 49 13.164 1.913 7.215 1.00 0.00 C ATOM 753 CD GLU R 49 11.820 2.275 7.848 1.00 0.00 C ATOM 754 OE1 GLU R 49 11.207 3.192 7.329 1.00 0.00 O ATOM 755 OE2 GLU R 49 11.481 1.614 8.817 1.00 0.00 O ATOM 0 H GLU R 49 15.422 0.855 6.795 1.00 0.00 H new ATOM 0 HA GLU R 49 15.019 3.464 5.929 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.655 2.262 8.743 1.00 0.00 H new ATOM 0 HB3 GLU R 49 13.857 3.719 8.184 1.00 0.00 H new ATOM 0 HG2 GLU R 49 13.133 2.088 6.140 1.00 0.00 H new ATOM 0 HG3 GLU R 49 13.374 0.853 7.359 1.00 0.00 H new ATOM 762 N ALA R 50 17.468 3.297 8.011 1.00 0.00 N ATOM 763 CA ALA R 50 18.540 4.111 8.646 1.00 0.00 C ATOM 764 C ALA R 50 19.740 4.279 7.719 1.00 0.00 C ATOM 765 O ALA R 50 20.041 5.374 7.301 1.00 0.00 O ATOM 766 CB ALA R 50 19.003 3.392 9.917 1.00 0.00 C ATOM 0 H ALA R 50 17.608 2.287 8.043 1.00 0.00 H new ATOM 0 HA ALA R 50 18.138 5.099 8.869 1.00 0.00 H new ATOM 0 HB1 ALA R 50 19.790 3.973 10.398 1.00 0.00 H new ATOM 0 HB2 ALA R 50 18.161 3.285 10.601 1.00 0.00 H new ATOM 0 HB3 ALA R 50 19.388 2.406 9.657 1.00 0.00 H new ATOM 772 N LEU R 51 20.384 3.178 7.407 1.00 0.00 N ATOM 773 CA LEU R 51 21.578 3.216 6.510 1.00 0.00 C ATOM 774 C LEU R 51 21.490 4.353 5.497 1.00 0.00 C ATOM 775 O LEU R 51 22.197 5.336 5.598 1.00 0.00 O ATOM 776 CB LEU R 51 21.630 1.874 5.751 1.00 0.00 C ATOM 777 CG LEU R 51 23.030 1.598 5.160 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.488 2.735 4.249 1.00 0.00 C ATOM 779 CD2 LEU R 51 24.055 1.358 6.267 1.00 0.00 C ATOM 0 H LEU R 51 20.129 2.248 7.740 1.00 0.00 H new ATOM 0 HA LEU R 51 22.471 3.379 7.113 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.356 1.064 6.427 1.00 0.00 H new ATOM 0 HB3 LEU R 51 20.893 1.883 4.948 1.00 0.00 H new ATOM 0 HG LEU R 51 22.954 0.693 4.557 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.477 2.507 3.851 1.00 0.00 H new ATOM 0 HD12 LEU R 51 22.783 2.848 3.426 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.532 3.663 4.819 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.032 1.166 5.823 1.00 0.00 H new ATOM 0 HD22 LEU R 51 24.114 2.239 6.906 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.752 0.497 6.863 1.00 0.00 H new ATOM 791 N GLY R 52 20.617 4.201 4.554 1.00 0.00 N ATOM 792 CA GLY R 52 20.464 5.258 3.521 1.00 0.00 C ATOM 793 C GLY R 52 20.317 6.640 4.165 1.00 0.00 C ATOM 794 O GLY R 52 21.112 7.527 3.920 1.00 0.00 O ATOM 0 H GLY R 52 20.002 3.394 4.450 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.330 5.252 2.859 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.590 5.045 2.905 1.00 0.00 H new ATOM 798 N THR R 53 19.309 6.794 4.979 1.00 0.00 N ATOM 799 CA THR R 53 19.098 8.111 5.641 1.00 0.00 C ATOM 800 C THR R 53 20.029 8.313 6.841 1.00 0.00 C ATOM 801 O THR R 53 19.801 9.194 7.648 1.00 0.00 O ATOM 802 CB THR R 53 17.651 8.170 6.133 1.00 0.00 C ATOM 803 OG1 THR R 53 17.026 7.008 5.613 1.00 0.00 O ATOM 804 CG2 THR R 53 16.901 9.338 5.482 1.00 0.00 C ATOM 0 H THR R 53 18.628 6.071 5.213 1.00 0.00 H new ATOM 0 HA THR R 53 19.314 8.895 4.916 1.00 0.00 H new ATOM 0 HB THR R 53 17.635 8.264 7.219 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.931 6.341 6.325 1.00 0.00 H new ATOM 0 HG21 THR R 53 15.874 9.360 5.847 1.00 0.00 H new ATOM 0 HG22 THR R 53 17.396 10.275 5.736 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.898 9.211 4.399 1.00 0.00 H new ATOM 812 N ARG R 54 21.052 7.500 6.939 1.00 0.00 N ATOM 813 CA ARG R 54 22.001 7.641 8.085 1.00 0.00 C ATOM 814 C ARG R 54 23.319 8.240 7.616 1.00 0.00 C ATOM 815 O ARG R 54 23.927 9.022 8.321 1.00 0.00 O ATOM 816 CB ARG R 54 22.272 6.256 8.693 1.00 0.00 C ATOM 817 CG ARG R 54 23.343 6.390 9.776 1.00 0.00 C ATOM 818 CD ARG R 54 23.136 5.294 10.824 1.00 0.00 C ATOM 819 NE ARG R 54 24.447 4.984 11.458 1.00 0.00 N ATOM 820 CZ ARG R 54 24.472 4.373 12.611 1.00 0.00 C ATOM 821 NH1 ARG R 54 23.637 4.749 13.544 1.00 0.00 N ATOM 822 NH2 ARG R 54 25.332 3.409 12.794 1.00 0.00 N ATOM 0 H ARG R 54 21.269 6.751 6.281 1.00 0.00 H new ATOM 0 HA ARG R 54 21.555 8.301 8.829 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.356 5.845 9.118 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.603 5.563 7.919 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.336 6.306 9.335 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.284 7.373 10.243 1.00 0.00 H new ATOM 0 HD2 ARG R 54 22.420 5.623 11.578 1.00 0.00 H new ATOM 0 HD3 ARG R 54 22.721 4.400 10.359 1.00 0.00 H new ATOM 0 HE ARG R 54 25.317 5.247 10.996 1.00 0.00 H new ATOM 0 HH11 ARG R 54 22.980 5.509 13.365 1.00 0.00 H new ATOM 0 HH12 ARG R 54 23.642 4.283 14.451 1.00 0.00 H new ATOM 0 HH21 ARG R 54 25.970 3.145 12.043 1.00 0.00 H new ATOM 0 HH22 ARG R 54 25.367 2.920 13.688 1.00 0.00 H new ATOM 836 N VAL R 55 23.746 7.860 6.440 1.00 0.00 N ATOM 837 CA VAL R 55 25.022 8.409 5.923 1.00 0.00 C ATOM 838 C VAL R 55 24.735 9.597 5.011 1.00 0.00 C ATOM 839 O VAL R 55 25.535 10.504 4.897 1.00 0.00 O ATOM 840 CB VAL R 55 25.754 7.324 5.122 1.00 0.00 C ATOM 841 CG1 VAL R 55 27.018 6.911 5.881 1.00 0.00 C ATOM 842 CG2 VAL R 55 24.848 6.103 4.950 1.00 0.00 C ATOM 0 H VAL R 55 23.269 7.201 5.825 1.00 0.00 H new ATOM 0 HA VAL R 55 25.642 8.732 6.759 1.00 0.00 H new ATOM 0 HB VAL R 55 26.018 7.715 4.140 1.00 0.00 H new ATOM 0 HG11 VAL R 55 27.545 6.140 5.319 1.00 0.00 H new ATOM 0 HG12 VAL R 55 27.668 7.777 6.005 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.743 6.521 6.861 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.374 5.337 4.380 1.00 0.00 H new ATOM 0 HG22 VAL R 55 24.581 5.707 5.930 1.00 0.00 H new ATOM 0 HG23 VAL R 55 23.943 6.394 4.417 1.00 0.00 H new ATOM 852 N ARG R 56 23.591 9.570 4.376 1.00 0.00 N ATOM 853 CA ARG R 56 23.242 10.694 3.472 1.00 0.00 C ATOM 854 C ARG R 56 23.294 12.012 4.240 1.00 0.00 C ATOM 855 O ARG R 56 23.883 12.973 3.789 1.00 0.00 O ATOM 856 CB ARG R 56 21.820 10.481 2.938 1.00 0.00 C ATOM 857 CG ARG R 56 21.603 11.385 1.723 1.00 0.00 C ATOM 858 CD ARG R 56 20.107 11.667 1.563 1.00 0.00 C ATOM 859 NE ARG R 56 19.354 10.390 1.698 1.00 0.00 N ATOM 860 CZ ARG R 56 18.842 9.830 0.636 1.00 0.00 C ATOM 861 NH1 ARG R 56 18.111 10.553 -0.169 1.00 0.00 N ATOM 862 NH2 ARG R 56 19.081 8.567 0.410 1.00 0.00 N ATOM 0 H ARG R 56 22.896 8.827 4.446 1.00 0.00 H new ATOM 0 HA ARG R 56 23.953 10.729 2.646 1.00 0.00 H new ATOM 0 HB2 ARG R 56 21.674 9.437 2.661 1.00 0.00 H new ATOM 0 HB3 ARG R 56 21.089 10.710 3.713 1.00 0.00 H new ATOM 0 HG2 ARG R 56 22.150 12.320 1.849 1.00 0.00 H new ATOM 0 HG3 ARG R 56 21.993 10.906 0.825 1.00 0.00 H new ATOM 0 HD2 ARG R 56 19.776 12.380 2.318 1.00 0.00 H new ATOM 0 HD3 ARG R 56 19.911 12.118 0.590 1.00 0.00 H new ATOM 0 HE ARG R 56 19.239 9.956 2.614 1.00 0.00 H new ATOM 0 HH11 ARG R 56 17.948 11.539 0.037 1.00 0.00 H new ATOM 0 HH12 ARG R 56 17.703 10.132 -1.004 1.00 0.00 H new ATOM 0 HH21 ARG R 56 19.660 8.034 1.059 1.00 0.00 H new ATOM 0 HH22 ARG R 56 18.689 8.113 -0.415 1.00 0.00 H new ATOM 876 N ILE R 57 22.677 12.031 5.394 1.00 0.00 N ATOM 877 CA ILE R 57 22.687 13.273 6.195 1.00 0.00 C ATOM 878 C ILE R 57 24.111 13.775 6.336 1.00 0.00 C ATOM 879 O ILE R 57 24.485 14.742 5.709 1.00 0.00 O ATOM 880 CB ILE R 57 22.149 12.966 7.584 1.00 0.00 C ATOM 881 CG1 ILE R 57 22.277 11.480 7.888 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.668 13.352 7.633 1.00 0.00 C ATOM 883 CD1 ILE R 57 22.185 11.269 9.401 1.00 0.00 C ATOM 0 H ILE R 57 22.174 11.245 5.806 1.00 0.00 H new ATOM 0 HA ILE R 57 22.073 14.027 5.703 1.00 0.00 H new ATOM 0 HB ILE R 57 22.721 13.530 8.320 1.00 0.00 H new ATOM 0 HG12 ILE R 57 21.488 10.923 7.382 1.00 0.00 H new ATOM 0 HG13 ILE R 57 23.227 11.100 7.512 1.00 0.00 H new ATOM 0 HG21 ILE R 57 20.269 13.137 8.624 1.00 0.00 H new ATOM 0 HG22 ILE R 57 20.562 14.416 7.422 1.00 0.00 H new ATOM 0 HG23 ILE R 57 20.118 12.778 6.888 1.00 0.00 H new ATOM 0 HD11 ILE R 57 22.276 10.206 9.626 1.00 0.00 H new ATOM 0 HD12 ILE R 57 22.990 11.815 9.894 1.00 0.00 H new ATOM 0 HD13 ILE R 57 21.224 11.635 9.762 1.00 0.00 H new ATOM 895 N VAL R 58 24.861 13.105 7.184 1.00 0.00 N ATOM 896 CA VAL R 58 26.287 13.499 7.409 1.00 0.00 C ATOM 897 C VAL R 58 26.870 14.166 6.167 1.00 0.00 C ATOM 898 O VAL R 58 27.440 15.240 6.235 1.00 0.00 O ATOM 899 CB VAL R 58 27.093 12.222 7.684 1.00 0.00 C ATOM 900 CG1 VAL R 58 28.573 12.577 7.822 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.601 11.586 8.983 1.00 0.00 C ATOM 0 H VAL R 58 24.544 12.303 7.729 1.00 0.00 H new ATOM 0 HA VAL R 58 26.336 14.198 8.244 1.00 0.00 H new ATOM 0 HB VAL R 58 26.962 11.521 6.860 1.00 0.00 H new ATOM 0 HG11 VAL R 58 29.148 11.672 8.017 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.924 13.038 6.899 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.704 13.275 8.649 1.00 0.00 H new ATOM 0 HG21 VAL R 58 27.171 10.678 9.182 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.737 12.288 9.806 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.544 11.337 8.889 1.00 0.00 H new ATOM 911 N GLU R 59 26.698 13.516 5.053 1.00 0.00 N ATOM 912 CA GLU R 59 27.225 14.076 3.787 1.00 0.00 C ATOM 913 C GLU R 59 26.586 15.426 3.482 1.00 0.00 C ATOM 914 O GLU R 59 27.192 16.462 3.667 1.00 0.00 O ATOM 915 CB GLU R 59 26.871 13.106 2.654 1.00 0.00 C ATOM 916 CG GLU R 59 28.132 12.401 2.185 1.00 0.00 C ATOM 917 CD GLU R 59 28.988 13.374 1.368 1.00 0.00 C ATOM 918 OE1 GLU R 59 28.769 13.410 0.169 1.00 0.00 O ATOM 919 OE2 GLU R 59 29.811 14.025 1.989 1.00 0.00 O ATOM 0 H GLU R 59 26.215 12.622 4.967 1.00 0.00 H new ATOM 0 HA GLU R 59 28.303 14.210 3.878 1.00 0.00 H new ATOM 0 HB2 GLU R 59 26.140 12.376 3.000 1.00 0.00 H new ATOM 0 HB3 GLU R 59 26.414 13.647 1.826 1.00 0.00 H new ATOM 0 HG2 GLU R 59 28.697 12.035 3.042 1.00 0.00 H new ATOM 0 HG3 GLU R 59 27.872 11.532 1.580 1.00 0.00 H new ATOM 926 N GLU R 60 25.372 15.375 3.016 1.00 0.00 N ATOM 927 CA GLU R 60 24.648 16.633 2.683 1.00 0.00 C ATOM 928 C GLU R 60 24.906 17.721 3.728 1.00 0.00 C ATOM 929 O GLU R 60 25.218 18.845 3.389 1.00 0.00 O ATOM 930 CB GLU R 60 23.144 16.330 2.650 1.00 0.00 C ATOM 931 CG GLU R 60 22.736 15.958 1.224 1.00 0.00 C ATOM 932 CD GLU R 60 23.720 14.927 0.665 1.00 0.00 C ATOM 933 OE1 GLU R 60 23.961 13.966 1.376 1.00 0.00 O ATOM 934 OE2 GLU R 60 24.176 15.162 -0.443 1.00 0.00 O ATOM 0 H GLU R 60 24.848 14.516 2.851 1.00 0.00 H new ATOM 0 HA GLU R 60 25.003 16.994 1.718 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.911 15.513 3.332 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.579 17.199 2.988 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.724 15.552 1.218 1.00 0.00 H new ATOM 0 HG3 GLU R 60 22.726 16.847 0.593 1.00 0.00 H new ATOM 941 N LEU R 61 24.772 17.370 4.979 1.00 0.00 N ATOM 942 CA LEU R 61 25.007 18.379 6.049 1.00 0.00 C ATOM 943 C LEU R 61 26.272 19.184 5.768 1.00 0.00 C ATOM 944 O LEU R 61 26.232 20.393 5.667 1.00 0.00 O ATOM 945 CB LEU R 61 25.172 17.642 7.387 1.00 0.00 C ATOM 946 CG LEU R 61 23.791 17.454 8.031 1.00 0.00 C ATOM 947 CD1 LEU R 61 23.916 16.515 9.234 1.00 0.00 C ATOM 948 CD2 LEU R 61 23.247 18.805 8.511 1.00 0.00 C ATOM 0 H LEU R 61 24.513 16.438 5.303 1.00 0.00 H new ATOM 0 HA LEU R 61 24.160 19.064 6.084 1.00 0.00 H new ATOM 0 HB2 LEU R 61 25.647 16.674 7.227 1.00 0.00 H new ATOM 0 HB3 LEU R 61 25.823 18.210 8.052 1.00 0.00 H new ATOM 0 HG LEU R 61 23.110 17.030 7.293 1.00 0.00 H new ATOM 0 HD11 LEU R 61 22.937 16.380 9.693 1.00 0.00 H new ATOM 0 HD12 LEU R 61 24.298 15.549 8.904 1.00 0.00 H new ATOM 0 HD13 LEU R 61 24.602 16.947 9.963 1.00 0.00 H new ATOM 0 HD21 LEU R 61 22.267 18.662 8.966 1.00 0.00 H new ATOM 0 HD22 LEU R 61 23.930 19.232 9.246 1.00 0.00 H new ATOM 0 HD23 LEU R 61 23.157 19.483 7.662 1.00 0.00 H new ATOM 1426 N PRO R 93 25.433 18.585 19.303 1.00 0.00 N ATOM 1427 CA PRO R 93 25.952 18.206 17.979 1.00 0.00 C ATOM 1428 C PRO R 93 27.385 18.687 17.795 1.00 0.00 C ATOM 1429 O PRO R 93 28.074 18.254 16.895 1.00 0.00 O ATOM 1430 CB PRO R 93 25.033 18.918 16.975 1.00 0.00 C ATOM 1431 CG PRO R 93 23.958 19.682 17.784 1.00 0.00 C ATOM 1432 CD PRO R 93 24.285 19.513 19.275 1.00 0.00 C ATOM 0 HA PRO R 93 25.962 17.124 17.848 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.606 19.607 16.354 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.566 18.196 16.305 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.953 20.737 17.511 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.965 19.291 17.564 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.536 20.468 19.736 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.435 19.108 19.824 1.00 0.00 H new ATOM 1440 N VAL R 94 27.803 19.588 18.641 1.00 0.00 N ATOM 1441 CA VAL R 94 29.190 20.097 18.520 1.00 0.00 C ATOM 1442 C VAL R 94 30.171 18.956 18.726 1.00 0.00 C ATOM 1443 O VAL R 94 31.341 19.070 18.414 1.00 0.00 O ATOM 1444 CB VAL R 94 29.423 21.165 19.596 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.681 21.964 19.247 1.00 0.00 C ATOM 1446 CG2 VAL R 94 28.223 22.113 19.642 1.00 0.00 C ATOM 0 H VAL R 94 27.250 19.987 19.400 1.00 0.00 H new ATOM 0 HA VAL R 94 29.339 20.527 17.529 1.00 0.00 H new ATOM 0 HB VAL R 94 29.546 20.684 20.567 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.852 22.725 20.009 1.00 0.00 H new ATOM 0 HG12 VAL R 94 31.539 21.293 19.206 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.550 22.444 18.277 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.388 22.872 20.407 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.103 22.595 18.672 1.00 0.00 H new ATOM 0 HG23 VAL R 94 27.322 21.548 19.880 1.00 0.00 H new ATOM 1456 N GLU R 95 29.674 17.870 19.248 1.00 0.00 N ATOM 1457 CA GLU R 95 30.568 16.710 19.478 1.00 0.00 C ATOM 1458 C GLU R 95 30.673 15.896 18.197 1.00 0.00 C ATOM 1459 O GLU R 95 31.452 14.971 18.103 1.00 0.00 O ATOM 1460 CB GLU R 95 29.979 15.819 20.583 1.00 0.00 C ATOM 1461 CG GLU R 95 30.400 16.339 21.964 1.00 0.00 C ATOM 1462 CD GLU R 95 30.176 15.237 23.000 1.00 0.00 C ATOM 1463 OE1 GLU R 95 29.094 14.675 22.967 1.00 0.00 O ATOM 1464 OE2 GLU R 95 31.104 15.016 23.762 1.00 0.00 O ATOM 0 H GLU R 95 28.700 17.739 19.521 1.00 0.00 H new ATOM 0 HA GLU R 95 31.554 17.067 19.777 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.892 15.805 20.508 1.00 0.00 H new ATOM 0 HB3 GLU R 95 30.321 14.792 20.453 1.00 0.00 H new ATOM 0 HG2 GLU R 95 31.449 16.636 21.951 1.00 0.00 H new ATOM 0 HG3 GLU R 95 29.821 17.225 22.225 1.00 0.00 H new ATOM 1471 N LEU R 96 29.868 16.254 17.234 1.00 0.00 N ATOM 1472 CA LEU R 96 29.901 15.519 15.949 1.00 0.00 C ATOM 1473 C LEU R 96 30.977 16.107 15.050 1.00 0.00 C ATOM 1474 O LEU R 96 31.706 15.388 14.389 1.00 0.00 O ATOM 1475 CB LEU R 96 28.532 15.653 15.267 1.00 0.00 C ATOM 1476 CG LEU R 96 28.139 14.301 14.664 1.00 0.00 C ATOM 1477 CD1 LEU R 96 26.793 14.440 13.950 1.00 0.00 C ATOM 1478 CD2 LEU R 96 29.203 13.877 13.651 1.00 0.00 C ATOM 0 H LEU R 96 29.195 17.019 17.285 1.00 0.00 H new ATOM 0 HA LEU R 96 30.124 14.468 16.131 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.782 15.975 15.989 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.573 16.415 14.488 1.00 0.00 H new ATOM 0 HG LEU R 96 28.061 13.554 15.454 1.00 0.00 H new ATOM 0 HD11 LEU R 96 26.509 13.480 13.519 1.00 0.00 H new ATOM 0 HD12 LEU R 96 26.033 14.756 14.665 1.00 0.00 H new ATOM 0 HD13 LEU R 96 26.877 15.183 13.157 1.00 0.00 H new ATOM 0 HD21 LEU R 96 28.930 12.915 13.217 1.00 0.00 H new ATOM 0 HD22 LEU R 96 29.272 14.625 12.861 1.00 0.00 H new ATOM 0 HD23 LEU R 96 30.167 13.789 14.152 1.00 0.00 H new ATOM 1490 N ARG R 97 31.057 17.407 15.042 1.00 0.00 N ATOM 1491 CA ARG R 97 32.066 18.059 14.209 1.00 0.00 C ATOM 1492 C ARG R 97 33.423 17.439 14.503 1.00 0.00 C ATOM 1493 O ARG R 97 34.306 17.441 13.677 1.00 0.00 O ATOM 1494 CB ARG R 97 32.079 19.533 14.605 1.00 0.00 C ATOM 1495 CG ARG R 97 30.740 20.158 14.217 1.00 0.00 C ATOM 1496 CD ARG R 97 30.929 20.972 12.942 1.00 0.00 C ATOM 1497 NE ARG R 97 29.599 21.429 12.454 1.00 0.00 N ATOM 1498 CZ ARG R 97 29.176 22.620 12.777 1.00 0.00 C ATOM 1499 NH1 ARG R 97 28.553 22.780 13.911 1.00 0.00 N ATOM 1500 NH2 ARG R 97 29.387 23.610 11.954 1.00 0.00 N ATOM 0 H ARG R 97 30.461 18.035 15.581 1.00 0.00 H new ATOM 0 HA ARG R 97 31.847 17.943 13.148 1.00 0.00 H new ATOM 0 HB2 ARG R 97 32.246 19.634 15.677 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.897 20.051 14.104 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.992 19.381 14.061 1.00 0.00 H new ATOM 0 HG3 ARG R 97 30.374 20.796 15.021 1.00 0.00 H new ATOM 0 HD2 ARG R 97 31.573 21.830 13.135 1.00 0.00 H new ATOM 0 HD3 ARG R 97 31.422 20.368 12.180 1.00 0.00 H new ATOM 0 HE ARG R 97 29.025 20.818 11.874 1.00 0.00 H new ATOM 0 HH11 ARG R 97 28.404 21.982 14.528 1.00 0.00 H new ATOM 0 HH12 ARG R 97 28.215 23.704 14.181 1.00 0.00 H new ATOM 0 HH21 ARG R 97 29.876 23.446 11.074 1.00 0.00 H new ATOM 0 HH22 ARG R 97 29.063 24.548 12.191 1.00 0.00 H new ATOM 1514 N GLN R 98 33.544 16.909 15.689 1.00 0.00 N ATOM 1515 CA GLN R 98 34.817 16.274 16.090 1.00 0.00 C ATOM 1516 C GLN R 98 35.319 15.324 15.014 1.00 0.00 C ATOM 1517 O GLN R 98 36.359 15.542 14.420 1.00 0.00 O ATOM 1518 CB GLN R 98 34.539 15.452 17.347 1.00 0.00 C ATOM 1519 CG GLN R 98 34.418 16.385 18.546 1.00 0.00 C ATOM 1520 CD GLN R 98 35.733 16.380 19.330 1.00 0.00 C ATOM 1521 OE1 GLN R 98 36.773 16.747 18.820 1.00 0.00 O ATOM 1522 NE2 GLN R 98 35.731 15.974 20.571 1.00 0.00 N ATOM 0 H GLN R 98 32.809 16.892 16.396 1.00 0.00 H new ATOM 0 HA GLN R 98 35.568 17.046 16.254 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.620 14.879 17.224 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.343 14.734 17.511 1.00 0.00 H new ATOM 0 HG2 GLN R 98 34.185 17.396 18.212 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.598 16.065 19.188 1.00 0.00 H new ATOM 0 HE21 GLN R 98 34.861 15.665 21.005 1.00 0.00 H new ATOM 0 HE22 GLN R 98 36.599 15.966 21.106 1.00 0.00 H new ATOM 1531 N TRP R 99 34.569 14.280 14.781 1.00 0.00 N ATOM 1532 CA TRP R 99 34.996 13.303 13.744 1.00 0.00 C ATOM 1533 C TRP R 99 34.739 13.822 12.330 1.00 0.00 C ATOM 1534 O TRP R 99 35.629 13.899 11.503 1.00 0.00 O ATOM 1535 CB TRP R 99 34.202 11.995 13.882 1.00 0.00 C ATOM 1536 CG TRP R 99 34.730 11.087 12.810 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.002 10.668 12.740 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.009 10.576 11.829 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.005 9.878 11.682 1.00 0.00 N ATOM 1540 CE2 TRP R 99 34.812 9.761 11.062 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.662 10.705 11.514 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.287 9.080 10.016 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.147 10.001 10.456 1.00 0.00 C ATOM 1544 CH2 TRP R 99 32.971 9.186 9.716 1.00 0.00 C ATOM 0 H TRP R 99 33.693 14.065 15.257 1.00 0.00 H new ATOM 0 HA TRP R 99 36.064 13.144 13.896 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.339 11.556 14.870 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.134 12.170 13.756 1.00 0.00 H new ATOM 0 HD1 TRP R 99 36.826 10.917 13.392 1.00 0.00 H new ATOM 0 HE1 TRP R 99 36.843 9.394 11.359 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.026 11.354 12.097 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 34.924 8.447 9.416 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.100 10.086 10.205 1.00 0.00 H new ATOM 0 HH2 TRP R 99 32.565 8.625 8.887 1.00 0.00 H new ATOM 1555 N LEU R 100 33.507 14.134 12.085 1.00 0.00 N ATOM 1556 CA LEU R 100 33.108 14.647 10.749 1.00 0.00 C ATOM 1557 C LEU R 100 34.144 15.610 10.140 1.00 0.00 C ATOM 1558 O LEU R 100 34.277 15.695 8.935 1.00 0.00 O ATOM 1559 CB LEU R 100 31.797 15.392 10.953 1.00 0.00 C ATOM 1560 CG LEU R 100 30.715 14.830 10.027 1.00 0.00 C ATOM 1561 CD1 LEU R 100 29.463 15.688 10.173 1.00 0.00 C ATOM 1562 CD2 LEU R 100 31.192 14.877 8.572 1.00 0.00 C ATOM 0 H LEU R 100 32.746 14.056 12.760 1.00 0.00 H new ATOM 0 HA LEU R 100 33.021 13.810 10.056 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.478 15.303 11.992 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.940 16.454 10.754 1.00 0.00 H new ATOM 0 HG LEU R 100 30.503 13.795 10.296 1.00 0.00 H new ATOM 0 HD11 LEU R 100 28.680 15.303 9.520 1.00 0.00 H new ATOM 0 HD12 LEU R 100 29.120 15.659 11.207 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.693 16.717 9.896 1.00 0.00 H new ATOM 0 HD21 LEU R 100 30.415 14.475 7.921 1.00 0.00 H new ATOM 0 HD22 LEU R 100 31.402 15.909 8.291 1.00 0.00 H new ATOM 0 HD23 LEU R 100 32.098 14.280 8.467 1.00 0.00 H new ATOM 1574 N GLU R 101 34.855 16.318 10.974 1.00 0.00 N ATOM 1575 CA GLU R 101 35.871 17.266 10.444 1.00 0.00 C ATOM 1576 C GLU R 101 37.109 16.533 9.940 1.00 0.00 C ATOM 1577 O GLU R 101 37.766 16.971 9.014 1.00 0.00 O ATOM 1578 CB GLU R 101 36.300 18.174 11.597 1.00 0.00 C ATOM 1579 CG GLU R 101 35.355 19.374 11.700 1.00 0.00 C ATOM 1580 CD GLU R 101 35.978 20.567 10.971 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.587 20.316 9.945 1.00 0.00 O ATOM 1582 OE2 GLU R 101 35.812 21.662 11.484 1.00 0.00 O ATOM 0 H GLU R 101 34.777 16.281 11.990 1.00 0.00 H new ATOM 0 HA GLU R 101 35.436 17.824 9.615 1.00 0.00 H new ATOM 0 HB2 GLU R 101 36.294 17.615 12.533 1.00 0.00 H new ATOM 0 HB3 GLU R 101 37.322 18.518 11.438 1.00 0.00 H new ATOM 0 HG2 GLU R 101 34.387 19.129 11.262 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.177 19.624 12.746 1.00 0.00 H new ATOM 1589 N GLU R 102 37.404 15.435 10.565 1.00 0.00 N ATOM 1590 CA GLU R 102 38.593 14.644 10.159 1.00 0.00 C ATOM 1591 C GLU R 102 38.321 13.728 8.962 1.00 0.00 C ATOM 1592 O GLU R 102 39.251 13.282 8.319 1.00 0.00 O ATOM 1593 CB GLU R 102 38.993 13.768 11.354 1.00 0.00 C ATOM 1594 CG GLU R 102 39.313 14.669 12.550 1.00 0.00 C ATOM 1595 CD GLU R 102 40.155 13.887 13.562 1.00 0.00 C ATOM 1596 OE1 GLU R 102 39.995 12.678 13.580 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.909 14.544 14.260 1.00 0.00 O ATOM 0 H GLU R 102 36.871 15.048 11.344 1.00 0.00 H new ATOM 0 HA GLU R 102 39.378 15.340 9.863 1.00 0.00 H new ATOM 0 HB2 GLU R 102 38.184 13.082 11.605 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.860 13.158 11.100 1.00 0.00 H new ATOM 0 HG2 GLU R 102 39.853 15.555 12.218 1.00 0.00 H new ATOM 0 HG3 GLU R 102 38.391 15.014 13.017 1.00 0.00 H new ATOM 1604 N VAL R 103 37.070 13.465 8.671 1.00 0.00 N ATOM 1605 CA VAL R 103 36.776 12.568 7.511 1.00 0.00 C ATOM 1606 C VAL R 103 36.429 13.307 6.210 1.00 0.00 C ATOM 1607 O VAL R 103 36.990 13.006 5.177 1.00 0.00 O ATOM 1608 CB VAL R 103 35.596 11.662 7.882 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.331 12.505 8.024 1.00 0.00 C ATOM 1610 CG2 VAL R 103 35.398 10.619 6.776 1.00 0.00 C ATOM 0 H VAL R 103 36.257 13.823 9.173 1.00 0.00 H new ATOM 0 HA VAL R 103 37.690 12.007 7.316 1.00 0.00 H new ATOM 0 HB VAL R 103 35.800 11.159 8.827 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.492 11.861 8.288 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.476 13.250 8.806 1.00 0.00 H new ATOM 0 HG13 VAL R 103 34.120 13.007 7.080 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.560 9.971 7.033 1.00 0.00 H new ATOM 0 HG22 VAL R 103 35.190 11.124 5.833 1.00 0.00 H new ATOM 0 HG23 VAL R 103 36.303 10.020 6.675 1.00 0.00 H new ATOM 1620 N LEU R 104 35.525 14.254 6.264 1.00 0.00 N ATOM 1621 CA LEU R 104 35.174 14.976 5.002 1.00 0.00 C ATOM 1622 C LEU R 104 36.030 16.220 4.771 1.00 0.00 C ATOM 1623 O LEU R 104 36.272 16.595 3.640 1.00 0.00 O ATOM 1624 CB LEU R 104 33.698 15.398 5.070 1.00 0.00 C ATOM 1625 CG LEU R 104 32.831 14.307 4.428 1.00 0.00 C ATOM 1626 CD1 LEU R 104 31.407 14.404 4.974 1.00 0.00 C ATOM 1627 CD2 LEU R 104 32.781 14.505 2.908 1.00 0.00 C ATOM 0 H LEU R 104 35.027 14.553 7.102 1.00 0.00 H new ATOM 0 HA LEU R 104 35.360 14.294 4.173 1.00 0.00 H new ATOM 0 HB2 LEU R 104 33.399 15.553 6.107 1.00 0.00 H new ATOM 0 HB3 LEU R 104 33.554 16.346 4.551 1.00 0.00 H new ATOM 0 HG LEU R 104 33.262 13.333 4.660 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.789 13.630 4.519 1.00 0.00 H new ATOM 0 HD12 LEU R 104 31.422 14.268 6.055 1.00 0.00 H new ATOM 0 HD13 LEU R 104 30.993 15.384 4.738 1.00 0.00 H new ATOM 0 HD21 LEU R 104 32.164 13.727 2.460 1.00 0.00 H new ATOM 0 HD22 LEU R 104 32.354 15.482 2.682 1.00 0.00 H new ATOM 0 HD23 LEU R 104 33.790 14.447 2.500 1.00 0.00 H new ATOM 1639 N LEU R 105 36.472 16.844 5.824 1.00 0.00 N ATOM 1640 CA LEU R 105 37.308 18.059 5.628 1.00 0.00 C ATOM 1641 C LEU R 105 38.745 17.675 5.288 1.00 0.00 C ATOM 1642 O LEU R 105 39.672 18.410 5.568 1.00 0.00 O ATOM 1643 CB LEU R 105 37.297 18.879 6.931 1.00 0.00 C ATOM 1644 CG LEU R 105 37.056 20.374 6.639 1.00 0.00 C ATOM 1645 CD1 LEU R 105 38.191 20.929 5.761 1.00 0.00 C ATOM 1646 CD2 LEU R 105 35.702 20.557 5.939 1.00 0.00 C ATOM 0 H LEU R 105 36.296 16.574 6.792 1.00 0.00 H new ATOM 0 HA LEU R 105 36.901 18.644 4.803 1.00 0.00 H new ATOM 0 HB2 LEU R 105 36.518 18.504 7.595 1.00 0.00 H new ATOM 0 HB3 LEU R 105 38.247 18.755 7.452 1.00 0.00 H new ATOM 0 HG LEU R 105 37.043 20.924 7.580 1.00 0.00 H new ATOM 0 HD11 LEU R 105 38.012 21.985 5.560 1.00 0.00 H new ATOM 0 HD12 LEU R 105 39.142 20.814 6.281 1.00 0.00 H new ATOM 0 HD13 LEU R 105 38.224 20.381 4.819 1.00 0.00 H new ATOM 0 HD21 LEU R 105 35.538 21.615 5.735 1.00 0.00 H new ATOM 0 HD22 LEU R 105 35.700 20.002 5.001 1.00 0.00 H new ATOM 0 HD23 LEU R 105 34.906 20.184 6.583 1.00 0.00 H new ATOM 1871 N HIS S 16 23.607 1.287 -4.648 1.00 0.00 N ATOM 1872 CA HIS S 16 24.849 0.891 -3.932 1.00 0.00 C ATOM 1873 C HIS S 16 25.869 2.027 -3.941 1.00 0.00 C ATOM 1874 O HIS S 16 26.997 1.851 -3.526 1.00 0.00 O ATOM 1875 CB HIS S 16 25.463 -0.322 -4.638 1.00 0.00 C ATOM 1876 CG HIS S 16 25.004 -0.346 -6.094 1.00 0.00 C ATOM 1877 ND1 HIS S 16 24.019 -1.010 -6.533 1.00 0.00 N ATOM 1878 CD2 HIS S 16 25.530 0.293 -7.201 1.00 0.00 C ATOM 1879 CE1 HIS S 16 23.891 -0.842 -7.794 1.00 0.00 C ATOM 1880 NE2 HIS S 16 24.812 -0.028 -8.289 1.00 0.00 N ATOM 0 HA HIS S 16 24.594 0.653 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS S 16 26.551 -0.273 -4.589 1.00 0.00 H new ATOM 0 HB3 HIS S 16 25.162 -1.241 -4.135 1.00 0.00 H new ATOM 0 HD2 HIS S 16 26.387 0.950 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS S 16 23.120 -1.310 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS S 16 24.943 0.278 -9.253 1.00 0.00 H new ATOM 1888 N GLN S 17 25.458 3.173 -4.415 1.00 0.00 N ATOM 1889 CA GLN S 17 26.406 4.318 -4.450 1.00 0.00 C ATOM 1890 C GLN S 17 26.557 4.925 -3.058 1.00 0.00 C ATOM 1891 O GLN S 17 26.926 6.073 -2.908 1.00 0.00 O ATOM 1892 CB GLN S 17 25.874 5.384 -5.422 1.00 0.00 C ATOM 1893 CG GLN S 17 24.473 5.830 -4.999 1.00 0.00 C ATOM 1894 CD GLN S 17 23.720 6.334 -6.233 1.00 0.00 C ATOM 1895 OE1 GLN S 17 22.582 5.978 -6.469 1.00 0.00 O ATOM 1896 NE2 GLN S 17 24.320 7.160 -7.046 1.00 0.00 N ATOM 0 H GLN S 17 24.522 3.362 -4.773 1.00 0.00 H new ATOM 0 HA GLN S 17 27.381 3.964 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.547 6.241 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN S 17 25.846 4.982 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN S 17 23.935 5.000 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.539 6.618 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN S 17 25.275 7.462 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN S 17 23.834 7.503 -7.874 1.00 0.00 H new ATOM 1905 N GLU S 18 26.269 4.128 -2.066 1.00 0.00 N ATOM 1906 CA GLU S 18 26.382 4.611 -0.665 1.00 0.00 C ATOM 1907 C GLU S 18 26.571 3.425 0.274 1.00 0.00 C ATOM 1908 O GLU S 18 27.369 3.473 1.189 1.00 0.00 O ATOM 1909 CB GLU S 18 25.098 5.361 -0.290 1.00 0.00 C ATOM 1910 CG GLU S 18 23.896 4.422 -0.409 1.00 0.00 C ATOM 1911 CD GLU S 18 22.654 5.242 -0.763 1.00 0.00 C ATOM 1912 OE1 GLU S 18 22.137 5.861 0.152 1.00 0.00 O ATOM 1913 OE2 GLU S 18 22.298 5.208 -1.929 1.00 0.00 O ATOM 0 H GLU S 18 25.960 3.161 -2.168 1.00 0.00 H new ATOM 0 HA GLU S 18 27.240 5.278 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU S 18 25.173 5.743 0.728 1.00 0.00 H new ATOM 0 HB3 GLU S 18 24.965 6.222 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU S 18 24.081 3.670 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.740 3.890 0.529 1.00 0.00 H new ATOM 1920 N TRP S 19 25.830 2.377 0.030 1.00 0.00 N ATOM 1921 CA TRP S 19 25.958 1.177 0.898 1.00 0.00 C ATOM 1922 C TRP S 19 27.437 0.833 1.065 1.00 0.00 C ATOM 1923 O TRP S 19 27.809 0.102 1.961 1.00 0.00 O ATOM 1924 CB TRP S 19 25.226 0.021 0.206 1.00 0.00 C ATOM 1925 CG TRP S 19 25.412 -1.266 1.007 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.330 -2.208 0.727 1.00 0.00 C ATOM 1927 CD2 TRP S 19 24.669 -1.642 2.053 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.106 -3.144 1.638 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.098 -2.880 2.494 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.591 -1.037 2.686 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 24.474 -3.507 3.537 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 22.958 -1.683 3.734 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.402 -2.917 4.157 1.00 0.00 C ATOM 0 H TRP S 19 25.149 2.302 -0.726 1.00 0.00 H new ATOM 0 HA TRP S 19 25.528 1.360 1.883 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.165 0.253 0.116 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.611 -0.111 -0.805 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.074 -2.203 -0.056 1.00 0.00 H new ATOM 0 HE1 TRP S 19 26.656 -4.002 1.688 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.248 -0.066 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 24.827 -4.471 3.874 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.114 -1.218 4.222 1.00 0.00 H new ATOM 0 HH2 TRP S 19 22.907 -3.419 4.975 1.00 0.00 H new ATOM 1944 N LEU S 20 28.242 1.347 0.164 1.00 0.00 N ATOM 1945 CA LEU S 20 29.712 1.088 0.223 1.00 0.00 C ATOM 1946 C LEU S 20 30.481 2.409 0.238 1.00 0.00 C ATOM 1947 O LEU S 20 31.202 2.715 1.164 1.00 0.00 O ATOM 1948 CB LEU S 20 30.154 0.324 -1.034 1.00 0.00 C ATOM 1949 CG LEU S 20 29.286 -0.919 -1.234 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.546 -1.482 -2.632 1.00 0.00 C ATOM 1951 CD2 LEU S 20 29.651 -1.978 -0.187 1.00 0.00 C ATOM 0 H LEU S 20 27.940 1.937 -0.612 1.00 0.00 H new ATOM 0 HA LEU S 20 29.918 0.513 1.126 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.079 0.972 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.201 0.034 -0.942 1.00 0.00 H new ATOM 0 HG LEU S 20 28.234 -0.654 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU S 20 28.932 -2.369 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.293 -0.731 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.599 -1.748 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU S 20 29.031 -2.862 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU S 20 30.701 -2.250 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU S 20 29.481 -1.576 0.812 1.00 0.00 H new ATOM 1963 N ARG S 21 30.293 3.157 -0.818 1.00 0.00 N ATOM 1964 CA ARG S 21 30.972 4.475 -0.957 1.00 0.00 C ATOM 1965 C ARG S 21 31.069 5.252 0.356 1.00 0.00 C ATOM 1966 O ARG S 21 32.079 5.877 0.612 1.00 0.00 O ATOM 1967 CB ARG S 21 30.174 5.320 -1.959 1.00 0.00 C ATOM 1968 CG ARG S 21 31.040 5.598 -3.192 1.00 0.00 C ATOM 1969 CD ARG S 21 30.182 6.255 -4.275 1.00 0.00 C ATOM 1970 NE ARG S 21 31.079 6.813 -5.324 1.00 0.00 N ATOM 1971 CZ ARG S 21 32.016 6.060 -5.827 1.00 0.00 C ATOM 1972 NH1 ARG S 21 31.684 5.121 -6.669 1.00 0.00 N ATOM 1973 NH2 ARG S 21 33.254 6.269 -5.473 1.00 0.00 N ATOM 0 H ARG S 21 29.689 2.905 -1.600 1.00 0.00 H new ATOM 0 HA ARG S 21 31.991 4.281 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.264 4.796 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG S 21 29.867 6.258 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.873 6.250 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.469 4.669 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG S 21 29.500 5.525 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG S 21 29.569 7.046 -3.843 1.00 0.00 H new ATOM 0 HE ARG S 21 30.961 7.774 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG S 21 30.705 4.986 -6.923 1.00 0.00 H new ATOM 0 HH12 ARG S 21 32.403 4.521 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG S 21 33.477 7.013 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG S 21 33.999 5.688 -5.857 1.00 0.00 H new ATOM 1987 N PHE S 22 30.037 5.201 1.165 1.00 0.00 N ATOM 1988 CA PHE S 22 30.087 5.952 2.457 1.00 0.00 C ATOM 1989 C PHE S 22 30.089 5.030 3.676 1.00 0.00 C ATOM 1990 O PHE S 22 30.716 5.335 4.675 1.00 0.00 O ATOM 1991 CB PHE S 22 28.873 6.878 2.523 1.00 0.00 C ATOM 1992 CG PHE S 22 29.215 8.173 1.782 1.00 0.00 C ATOM 1993 CD1 PHE S 22 29.965 9.160 2.399 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.804 8.359 0.475 1.00 0.00 C ATOM 1995 CE1 PHE S 22 30.300 10.314 1.718 1.00 0.00 C ATOM 1996 CE2 PHE S 22 29.137 9.513 -0.205 1.00 0.00 C ATOM 1997 CZ PHE S 22 29.887 10.490 0.415 1.00 0.00 C ATOM 0 H PHE S 22 29.177 4.681 0.990 1.00 0.00 H new ATOM 0 HA PHE S 22 31.020 6.516 2.483 1.00 0.00 H new ATOM 0 HB2 PHE S 22 28.005 6.399 2.070 1.00 0.00 H new ATOM 0 HB3 PHE S 22 28.614 7.091 3.560 1.00 0.00 H new ATOM 0 HD1 PHE S 22 30.290 9.027 3.420 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.219 7.596 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE S 22 30.886 11.079 2.207 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.809 9.651 -1.225 1.00 0.00 H new ATOM 0 HZ PHE S 22 30.150 11.391 -0.119 1.00 0.00 H new ATOM 2007 N VAL S 23 29.379 3.937 3.599 1.00 0.00 N ATOM 2008 CA VAL S 23 29.367 3.024 4.771 1.00 0.00 C ATOM 2009 C VAL S 23 30.798 2.812 5.235 1.00 0.00 C ATOM 2010 O VAL S 23 31.058 2.556 6.392 1.00 0.00 O ATOM 2011 CB VAL S 23 28.768 1.679 4.350 1.00 0.00 C ATOM 2012 CG1 VAL S 23 29.298 0.570 5.261 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.247 1.747 4.483 1.00 0.00 C ATOM 0 H VAL S 23 28.821 3.644 2.797 1.00 0.00 H new ATOM 0 HA VAL S 23 28.773 3.453 5.578 1.00 0.00 H new ATOM 0 HB VAL S 23 29.046 1.466 3.318 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.869 -0.385 4.958 1.00 0.00 H new ATOM 0 HG12 VAL S 23 30.384 0.522 5.182 1.00 0.00 H new ATOM 0 HG13 VAL S 23 29.019 0.782 6.293 1.00 0.00 H new ATOM 0 HG21 VAL S 23 26.813 0.793 4.185 1.00 0.00 H new ATOM 0 HG22 VAL S 23 26.981 1.959 5.519 1.00 0.00 H new ATOM 0 HG23 VAL S 23 26.861 2.538 3.840 1.00 0.00 H new ATOM 2023 N ASP S 24 31.705 2.926 4.307 1.00 0.00 N ATOM 2024 CA ASP S 24 33.127 2.741 4.661 1.00 0.00 C ATOM 2025 C ASP S 24 33.500 3.745 5.740 1.00 0.00 C ATOM 2026 O ASP S 24 34.181 3.419 6.689 1.00 0.00 O ATOM 2027 CB ASP S 24 33.970 3.012 3.411 1.00 0.00 C ATOM 2028 CG ASP S 24 34.540 1.693 2.887 1.00 0.00 C ATOM 2029 OD1 ASP S 24 35.120 0.994 3.698 1.00 0.00 O ATOM 2030 OD2 ASP S 24 34.362 1.461 1.702 1.00 0.00 O ATOM 0 H ASP S 24 31.520 3.138 3.327 1.00 0.00 H new ATOM 0 HA ASP S 24 33.303 1.729 5.025 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.360 3.488 2.643 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.780 3.702 3.648 1.00 0.00 H new ATOM 2035 N LEU S 25 33.043 4.956 5.566 1.00 0.00 N ATOM 2036 CA LEU S 25 33.354 6.001 6.572 1.00 0.00 C ATOM 2037 C LEU S 25 32.693 5.648 7.891 1.00 0.00 C ATOM 2038 O LEU S 25 33.161 6.015 8.949 1.00 0.00 O ATOM 2039 CB LEU S 25 32.800 7.344 6.082 1.00 0.00 C ATOM 2040 CG LEU S 25 33.242 7.579 4.635 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.922 9.022 4.244 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.750 7.347 4.510 1.00 0.00 C ATOM 0 H LEU S 25 32.473 5.261 4.777 1.00 0.00 H new ATOM 0 HA LEU S 25 34.433 6.067 6.709 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.712 7.346 6.146 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.159 8.152 6.719 1.00 0.00 H new ATOM 0 HG LEU S 25 32.715 6.888 3.977 1.00 0.00 H new ATOM 0 HD11 LEU S 25 33.234 9.198 3.214 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.849 9.194 4.333 1.00 0.00 H new ATOM 0 HD13 LEU S 25 33.455 9.705 4.906 1.00 0.00 H new ATOM 0 HD21 LEU S 25 35.060 7.515 3.479 1.00 0.00 H new ATOM 0 HD22 LEU S 25 35.280 8.038 5.165 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.985 6.322 4.797 1.00 0.00 H new ATOM 2054 N LEU S 26 31.598 4.954 7.817 1.00 0.00 N ATOM 2055 CA LEU S 26 30.927 4.587 9.082 1.00 0.00 C ATOM 2056 C LEU S 26 31.921 3.862 9.979 1.00 0.00 C ATOM 2057 O LEU S 26 32.016 4.132 11.159 1.00 0.00 O ATOM 2058 CB LEU S 26 29.766 3.642 8.775 1.00 0.00 C ATOM 2059 CG LEU S 26 28.868 3.542 10.006 1.00 0.00 C ATOM 2060 CD1 LEU S 26 27.756 4.586 9.905 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.245 2.147 10.059 1.00 0.00 C ATOM 0 H LEU S 26 31.150 4.633 6.959 1.00 0.00 H new ATOM 0 HA LEU S 26 30.559 5.485 9.578 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.196 4.010 7.922 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.144 2.656 8.504 1.00 0.00 H new ATOM 0 HG LEU S 26 29.456 3.718 10.907 1.00 0.00 H new ATOM 0 HD11 LEU S 26 27.112 4.518 10.782 1.00 0.00 H new ATOM 0 HD12 LEU S 26 28.196 5.582 9.854 1.00 0.00 H new ATOM 0 HD13 LEU S 26 27.166 4.403 9.007 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.602 2.069 10.936 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.653 1.978 9.159 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.035 1.398 10.120 1.00 0.00 H new ATOM 2073 N LYS S 27 32.657 2.955 9.390 1.00 0.00 N ATOM 2074 CA LYS S 27 33.651 2.197 10.184 1.00 0.00 C ATOM 2075 C LYS S 27 34.744 3.126 10.723 1.00 0.00 C ATOM 2076 O LYS S 27 35.307 2.876 11.771 1.00 0.00 O ATOM 2077 CB LYS S 27 34.266 1.109 9.281 1.00 0.00 C ATOM 2078 CG LYS S 27 35.631 1.548 8.735 1.00 0.00 C ATOM 2079 CD LYS S 27 36.051 0.617 7.592 1.00 0.00 C ATOM 2080 CE LYS S 27 37.430 0.029 7.894 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.830 -0.923 6.820 1.00 0.00 N ATOM 0 H LYS S 27 32.609 2.712 8.400 1.00 0.00 H new ATOM 0 HA LYS S 27 33.160 1.738 11.042 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.378 0.184 9.846 1.00 0.00 H new ATOM 0 HB3 LYS S 27 33.591 0.896 8.452 1.00 0.00 H new ATOM 0 HG2 LYS S 27 35.578 2.577 8.379 1.00 0.00 H new ATOM 0 HG3 LYS S 27 36.377 1.524 9.530 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.321 -0.183 7.474 1.00 0.00 H new ATOM 0 HD3 LYS S 27 36.076 1.167 6.651 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.165 0.830 7.973 1.00 0.00 H new ATOM 0 HE3 LYS S 27 37.412 -0.483 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.511 -1.610 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 36.989 -1.426 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.269 -0.398 6.037 1.00 0.00 H new ATOM 2095 N ASN S 28 35.027 4.186 10.002 1.00 0.00 N ATOM 2096 CA ASN S 28 36.083 5.120 10.487 1.00 0.00 C ATOM 2097 C ASN S 28 35.686 5.726 11.828 1.00 0.00 C ATOM 2098 O ASN S 28 36.367 5.531 12.817 1.00 0.00 O ATOM 2099 CB ASN S 28 36.288 6.246 9.470 1.00 0.00 C ATOM 2100 CG ASN S 28 37.504 5.928 8.598 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.527 6.580 8.677 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.437 4.937 7.752 1.00 0.00 N ATOM 0 H ASN S 28 34.582 4.438 9.119 1.00 0.00 H new ATOM 0 HA ASN S 28 37.009 4.558 10.609 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.399 6.356 8.848 1.00 0.00 H new ATOM 0 HB3 ASN S 28 36.435 7.195 9.986 1.00 0.00 H new ATOM 0 HD21 ASN S 28 38.239 4.714 7.163 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.582 4.385 7.680 1.00 0.00 H new ATOM 2109 N ALA S 29 34.600 6.458 11.844 1.00 0.00 N ATOM 2110 CA ALA S 29 34.162 7.071 13.129 1.00 0.00 C ATOM 2111 C ALA S 29 34.227 6.007 14.213 1.00 0.00 C ATOM 2112 O ALA S 29 34.780 6.220 15.273 1.00 0.00 O ATOM 2113 CB ALA S 29 32.708 7.541 12.977 1.00 0.00 C ATOM 0 H ALA S 29 34.009 6.654 11.036 1.00 0.00 H new ATOM 0 HA ALA S 29 34.801 7.915 13.389 1.00 0.00 H new ATOM 0 HB1 ALA S 29 32.372 7.993 13.910 1.00 0.00 H new ATOM 0 HB2 ALA S 29 32.645 8.276 12.175 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.073 6.688 12.738 1.00 0.00 H new ATOM 2119 N TYR S 30 33.657 4.870 13.912 1.00 0.00 N ATOM 2120 CA TYR S 30 33.670 3.766 14.898 1.00 0.00 C ATOM 2121 C TYR S 30 35.080 3.561 15.405 1.00 0.00 C ATOM 2122 O TYR S 30 35.421 4.098 16.432 1.00 0.00 O ATOM 2123 CB TYR S 30 33.210 2.482 14.199 1.00 0.00 C ATOM 2124 CG TYR S 30 31.716 2.252 14.448 1.00 0.00 C ATOM 2125 CD1 TYR S 30 30.765 3.068 13.868 1.00 0.00 C ATOM 2126 CD2 TYR S 30 31.297 1.189 15.221 1.00 0.00 C ATOM 2127 CE1 TYR S 30 29.419 2.818 14.056 1.00 0.00 C ATOM 2128 CE2 TYR S 30 29.956 0.939 15.403 1.00 0.00 C ATOM 2129 CZ TYR S 30 29.006 1.751 14.824 1.00 0.00 C ATOM 2130 OH TYR S 30 27.665 1.485 14.995 1.00 0.00 O ATOM 0 H TYR S 30 33.187 4.665 13.030 1.00 0.00 H new ATOM 0 HA TYR S 30 33.010 4.007 15.731 1.00 0.00 H new ATOM 0 HB2 TYR S 30 33.401 2.553 13.128 1.00 0.00 H new ATOM 0 HB3 TYR S 30 33.783 1.632 14.569 1.00 0.00 H new ATOM 0 HD1 TYR S 30 31.075 3.907 13.263 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.029 0.546 15.688 1.00 0.00 H new ATOM 0 HE1 TYR S 30 28.685 3.464 13.597 1.00 0.00 H new ATOM 0 HE2 TYR S 30 29.646 0.098 16.006 1.00 0.00 H new ATOM 0 HH TYR S 30 27.558 0.695 15.565 1.00 0.00 H new ATOM 2140 N GLN S 31 35.870 2.865 14.606 1.00 0.00 N ATOM 2141 CA GLN S 31 37.298 2.562 14.951 1.00 0.00 C ATOM 2142 C GLN S 31 37.800 3.403 16.113 1.00 0.00 C ATOM 2143 O GLN S 31 38.047 2.903 17.192 1.00 0.00 O ATOM 2144 CB GLN S 31 38.142 2.879 13.707 1.00 0.00 C ATOM 2145 CG GLN S 31 39.525 2.248 13.851 1.00 0.00 C ATOM 2146 CD GLN S 31 40.321 2.484 12.562 1.00 0.00 C ATOM 2147 OE1 GLN S 31 39.911 3.230 11.695 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.458 1.866 12.396 1.00 0.00 N ATOM 0 H GLN S 31 35.571 2.487 13.707 1.00 0.00 H new ATOM 0 HA GLN S 31 37.377 1.517 15.250 1.00 0.00 H new ATOM 0 HB2 GLN S 31 37.648 2.497 12.813 1.00 0.00 H new ATOM 0 HB3 GLN S 31 38.235 3.958 13.583 1.00 0.00 H new ATOM 0 HG2 GLN S 31 40.050 2.683 14.702 1.00 0.00 H new ATOM 0 HG3 GLN S 31 39.432 1.179 14.045 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.808 1.238 13.120 1.00 0.00 H new ATOM 0 HE22 GLN S 31 41.997 2.010 11.542 1.00 0.00 H new ATOM 2157 N ASN S 32 37.930 4.662 15.866 1.00 0.00 N ATOM 2158 CA ASN S 32 38.408 5.577 16.917 1.00 0.00 C ATOM 2159 C ASN S 32 37.281 5.889 17.885 1.00 0.00 C ATOM 2160 O ASN S 32 37.214 6.975 18.413 1.00 0.00 O ATOM 2161 CB ASN S 32 38.828 6.872 16.253 1.00 0.00 C ATOM 2162 CG ASN S 32 39.927 6.592 15.227 1.00 0.00 C ATOM 2163 OD1 ASN S 32 40.229 7.414 14.384 1.00 0.00 O ATOM 2164 ND2 ASN S 32 40.550 5.443 15.261 1.00 0.00 N ATOM 0 H ASN S 32 37.723 5.103 14.970 1.00 0.00 H new ATOM 0 HA ASN S 32 39.236 5.116 17.456 1.00 0.00 H new ATOM 0 HB2 ASN S 32 37.971 7.336 15.765 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.188 7.576 17.003 1.00 0.00 H new ATOM 0 HD21 ASN S 32 41.285 5.241 14.583 1.00 0.00 H new ATOM 0 HD22 ASN S 32 40.302 4.749 15.966 1.00 0.00 H new ATOM 2171 N ASP S 33 36.470 4.901 18.148 1.00 0.00 N ATOM 2172 CA ASP S 33 35.320 5.086 19.075 1.00 0.00 C ATOM 2173 C ASP S 33 34.768 6.506 19.014 1.00 0.00 C ATOM 2174 O ASP S 33 34.189 7.000 19.963 1.00 0.00 O ATOM 2175 CB ASP S 33 35.861 4.856 20.469 1.00 0.00 C ATOM 2176 CG ASP S 33 35.028 3.788 21.184 1.00 0.00 C ATOM 2177 OD1 ASP S 33 35.174 2.639 20.801 1.00 0.00 O ATOM 2178 OD2 ASP S 33 34.291 4.183 22.074 1.00 0.00 O ATOM 0 H ASP S 33 36.557 3.964 17.755 1.00 0.00 H new ATOM 0 HA ASP S 33 34.517 4.401 18.804 1.00 0.00 H new ATOM 0 HB2 ASP S 33 36.903 4.541 20.416 1.00 0.00 H new ATOM 0 HB3 ASP S 33 35.837 5.787 21.035 1.00 0.00 H new ATOM 2183 N LEU S 34 34.938 7.125 17.880 1.00 0.00 N ATOM 2184 CA LEU S 34 34.435 8.512 17.728 1.00 0.00 C ATOM 2185 C LEU S 34 33.071 8.489 17.061 1.00 0.00 C ATOM 2186 O LEU S 34 32.574 9.505 16.614 1.00 0.00 O ATOM 2187 CB LEU S 34 35.421 9.278 16.835 1.00 0.00 C ATOM 2188 CG LEU S 34 35.916 10.554 17.532 1.00 0.00 C ATOM 2189 CD1 LEU S 34 36.571 10.207 18.874 1.00 0.00 C ATOM 2190 CD2 LEU S 34 36.958 11.217 16.630 1.00 0.00 C ATOM 0 H LEU S 34 35.400 6.732 17.060 1.00 0.00 H new ATOM 0 HA LEU S 34 34.347 8.991 18.703 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.270 8.639 16.593 1.00 0.00 H new ATOM 0 HB3 LEU S 34 34.938 9.538 15.893 1.00 0.00 H new ATOM 0 HG LEU S 34 35.074 11.222 17.712 1.00 0.00 H new ATOM 0 HD11 LEU S 34 36.917 11.121 19.357 1.00 0.00 H new ATOM 0 HD12 LEU S 34 35.844 9.710 19.516 1.00 0.00 H new ATOM 0 HD13 LEU S 34 37.418 9.543 18.704 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.324 12.127 17.105 1.00 0.00 H new ATOM 0 HD22 LEU S 34 37.790 10.531 16.470 1.00 0.00 H new ATOM 0 HD23 LEU S 34 36.503 11.466 15.671 1.00 0.00 H new ATOM 2202 N HIS S 35 32.490 7.321 17.004 1.00 0.00 N ATOM 2203 CA HIS S 35 31.146 7.229 16.362 1.00 0.00 C ATOM 2204 C HIS S 35 30.047 7.652 17.319 1.00 0.00 C ATOM 2205 O HIS S 35 29.027 8.130 16.891 1.00 0.00 O ATOM 2206 CB HIS S 35 30.859 5.785 15.938 1.00 0.00 C ATOM 2207 CG HIS S 35 31.016 4.855 17.146 1.00 0.00 C ATOM 2208 ND1 HIS S 35 31.939 4.922 18.013 1.00 0.00 N ATOM 2209 CD2 HIS S 35 30.221 3.799 17.556 1.00 0.00 C ATOM 2210 CE1 HIS S 35 31.786 4.019 18.907 1.00 0.00 C ATOM 2211 NE2 HIS S 35 30.719 3.269 18.684 1.00 0.00 N ATOM 0 H HIS S 35 32.874 6.447 17.364 1.00 0.00 H new ATOM 0 HA HIS S 35 31.158 7.893 15.498 1.00 0.00 H new ATOM 0 HB2 HIS S 35 29.849 5.707 15.535 1.00 0.00 H new ATOM 0 HB3 HIS S 35 31.543 5.485 15.144 1.00 0.00 H new ATOM 0 HD2 HIS S 35 29.334 3.454 17.046 1.00 0.00 H new ATOM 0 HE1 HIS S 35 32.451 3.885 19.747 1.00 0.00 H new ATOM 0 HE2 HIS S 35 30.364 2.485 19.232 1.00 0.00 H new ATOM 2219 N LEU S 36 30.277 7.486 18.598 1.00 0.00 N ATOM 2220 CA LEU S 36 29.234 7.881 19.588 1.00 0.00 C ATOM 2221 C LEU S 36 28.452 9.127 19.130 1.00 0.00 C ATOM 2222 O LEU S 36 27.245 9.076 19.027 1.00 0.00 O ATOM 2223 CB LEU S 36 29.898 8.137 20.956 1.00 0.00 C ATOM 2224 CG LEU S 36 29.653 6.954 21.910 1.00 0.00 C ATOM 2225 CD1 LEU S 36 28.178 6.929 22.358 1.00 0.00 C ATOM 2226 CD2 LEU S 36 30.038 5.637 21.214 1.00 0.00 C ATOM 0 H LEU S 36 31.133 7.098 18.994 1.00 0.00 H new ATOM 0 HA LEU S 36 28.518 7.064 19.673 1.00 0.00 H new ATOM 0 HB2 LEU S 36 30.969 8.288 20.823 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.499 9.052 21.394 1.00 0.00 H new ATOM 0 HG LEU S 36 30.275 7.072 22.798 1.00 0.00 H new ATOM 0 HD11 LEU S 36 28.017 6.088 23.032 1.00 0.00 H new ATOM 0 HD12 LEU S 36 27.939 7.859 22.874 1.00 0.00 H new ATOM 0 HD13 LEU S 36 27.534 6.822 21.485 1.00 0.00 H new ATOM 0 HD21 LEU S 36 29.863 4.802 21.893 1.00 0.00 H new ATOM 0 HD22 LEU S 36 29.432 5.509 20.317 1.00 0.00 H new ATOM 0 HD23 LEU S 36 31.092 5.666 20.938 1.00 0.00 H new ATOM 2238 N PRO S 37 29.127 10.234 18.868 1.00 0.00 N ATOM 2239 CA PRO S 37 28.429 11.450 18.423 1.00 0.00 C ATOM 2240 C PRO S 37 27.454 11.185 17.259 1.00 0.00 C ATOM 2241 O PRO S 37 26.254 11.241 17.445 1.00 0.00 O ATOM 2242 CB PRO S 37 29.555 12.391 17.966 1.00 0.00 C ATOM 2243 CG PRO S 37 30.896 11.785 18.447 1.00 0.00 C ATOM 2244 CD PRO S 37 30.592 10.402 19.040 1.00 0.00 C ATOM 0 HA PRO S 37 27.815 11.863 19.224 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.550 12.496 16.881 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.414 13.388 18.383 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.598 11.700 17.617 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.361 12.428 19.194 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.144 9.618 18.521 1.00 0.00 H new ATOM 0 HD3 PRO S 37 30.876 10.350 20.091 1.00 0.00 H new ATOM 2252 N LEU S 38 27.971 10.903 16.084 1.00 0.00 N ATOM 2253 CA LEU S 38 27.051 10.641 14.936 1.00 0.00 C ATOM 2254 C LEU S 38 26.118 9.487 15.255 1.00 0.00 C ATOM 2255 O LEU S 38 24.954 9.519 14.919 1.00 0.00 O ATOM 2256 CB LEU S 38 27.880 10.348 13.668 1.00 0.00 C ATOM 2257 CG LEU S 38 28.369 8.894 13.653 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.302 7.954 13.067 1.00 0.00 C ATOM 2259 CD2 LEU S 38 29.615 8.820 12.779 1.00 0.00 C ATOM 0 H LEU S 38 28.968 10.844 15.876 1.00 0.00 H new ATOM 0 HA LEU S 38 26.438 11.524 14.757 1.00 0.00 H new ATOM 0 HB2 LEU S 38 27.276 10.541 12.782 1.00 0.00 H new ATOM 0 HB3 LEU S 38 28.735 11.023 13.624 1.00 0.00 H new ATOM 0 HG LEU S 38 28.580 8.582 14.676 1.00 0.00 H new ATOM 0 HD11 LEU S 38 27.678 6.931 13.070 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.397 8.010 13.671 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.075 8.254 12.044 1.00 0.00 H new ATOM 0 HD21 LEU S 38 29.981 7.794 12.753 1.00 0.00 H new ATOM 0 HD22 LEU S 38 29.369 9.143 11.767 1.00 0.00 H new ATOM 0 HD23 LEU S 38 30.387 9.470 13.190 1.00 0.00 H new ATOM 2271 N LEU S 39 26.635 8.481 15.888 1.00 0.00 N ATOM 2272 CA LEU S 39 25.748 7.335 16.224 1.00 0.00 C ATOM 2273 C LEU S 39 24.515 7.884 16.937 1.00 0.00 C ATOM 2274 O LEU S 39 23.403 7.743 16.472 1.00 0.00 O ATOM 2275 CB LEU S 39 26.498 6.390 17.179 1.00 0.00 C ATOM 2276 CG LEU S 39 25.904 4.971 17.116 1.00 0.00 C ATOM 2277 CD1 LEU S 39 24.378 5.025 17.293 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.238 4.306 15.777 1.00 0.00 C ATOM 0 H LEU S 39 27.608 8.398 16.183 1.00 0.00 H new ATOM 0 HA LEU S 39 25.459 6.795 15.322 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.555 6.360 16.913 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.436 6.771 18.198 1.00 0.00 H new ATOM 0 HG LEU S 39 26.341 4.383 17.923 1.00 0.00 H new ATOM 0 HD11 LEU S 39 23.970 4.015 17.246 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.139 5.468 18.260 1.00 0.00 H new ATOM 0 HD13 LEU S 39 23.941 5.630 16.499 1.00 0.00 H new ATOM 0 HD21 LEU S 39 25.810 3.304 15.752 1.00 0.00 H new ATOM 0 HD22 LEU S 39 25.822 4.899 14.962 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.320 4.241 15.663 1.00 0.00 H new ATOM 2290 N ASN S 40 24.754 8.495 18.062 1.00 0.00 N ATOM 2291 CA ASN S 40 23.637 9.075 18.849 1.00 0.00 C ATOM 2292 C ASN S 40 22.604 9.752 17.954 1.00 0.00 C ATOM 2293 O ASN S 40 21.424 9.692 18.223 1.00 0.00 O ATOM 2294 CB ASN S 40 24.216 10.124 19.808 1.00 0.00 C ATOM 2295 CG ASN S 40 23.181 11.227 20.030 1.00 0.00 C ATOM 2296 OD1 ASN S 40 22.004 10.968 20.193 1.00 0.00 O ATOM 2297 ND2 ASN S 40 23.575 12.470 20.043 1.00 0.00 N ATOM 0 H ASN S 40 25.680 8.617 18.471 1.00 0.00 H new ATOM 0 HA ASN S 40 23.141 8.268 19.388 1.00 0.00 H new ATOM 0 HB2 ASN S 40 24.480 9.659 20.758 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.132 10.546 19.395 1.00 0.00 H new ATOM 0 HD21 ASN S 40 22.897 13.218 20.189 1.00 0.00 H new ATOM 0 HD22 ASN S 40 24.561 12.694 19.907 1.00 0.00 H new ATOM 2304 N LEU S 41 23.055 10.396 16.913 1.00 0.00 N ATOM 2305 CA LEU S 41 22.078 11.069 16.014 1.00 0.00 C ATOM 2306 C LEU S 41 20.919 10.123 15.707 1.00 0.00 C ATOM 2307 O LEU S 41 19.769 10.515 15.715 1.00 0.00 O ATOM 2308 CB LEU S 41 22.785 11.433 14.693 1.00 0.00 C ATOM 2309 CG LEU S 41 22.209 12.737 14.117 1.00 0.00 C ATOM 2310 CD1 LEU S 41 20.685 12.607 13.949 1.00 0.00 C ATOM 2311 CD2 LEU S 41 22.544 13.918 15.043 1.00 0.00 C ATOM 0 H LEU S 41 24.037 10.485 16.650 1.00 0.00 H new ATOM 0 HA LEU S 41 21.696 11.966 16.501 1.00 0.00 H new ATOM 0 HB2 LEU S 41 23.855 11.546 14.865 1.00 0.00 H new ATOM 0 HB3 LEU S 41 22.662 10.624 13.973 1.00 0.00 H new ATOM 0 HG LEU S 41 22.657 12.922 13.141 1.00 0.00 H new ATOM 0 HD11 LEU S 41 20.284 13.534 13.541 1.00 0.00 H new ATOM 0 HD12 LEU S 41 20.463 11.785 13.269 1.00 0.00 H new ATOM 0 HD13 LEU S 41 20.228 12.410 14.918 1.00 0.00 H new ATOM 0 HD21 LEU S 41 22.131 14.836 14.625 1.00 0.00 H new ATOM 0 HD22 LEU S 41 22.113 13.742 16.028 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.626 14.014 15.133 1.00 0.00 H new ATOM 2323 N MET S 42 21.253 8.883 15.461 1.00 0.00 N ATOM 2324 CA MET S 42 20.191 7.879 15.148 1.00 0.00 C ATOM 2325 C MET S 42 19.855 6.968 16.346 1.00 0.00 C ATOM 2326 O MET S 42 19.519 5.812 16.168 1.00 0.00 O ATOM 2327 CB MET S 42 20.705 7.018 13.981 1.00 0.00 C ATOM 2328 CG MET S 42 19.670 7.033 12.855 1.00 0.00 C ATOM 2329 SD MET S 42 19.357 8.619 12.039 1.00 0.00 S ATOM 2330 CE MET S 42 18.374 7.977 10.662 1.00 0.00 C ATOM 0 H MET S 42 22.207 8.523 15.463 1.00 0.00 H new ATOM 0 HA MET S 42 19.273 8.410 14.895 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.659 7.404 13.621 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.881 5.996 14.317 1.00 0.00 H new ATOM 0 HG2 MET S 42 19.987 6.319 12.095 1.00 0.00 H new ATOM 0 HG3 MET S 42 18.726 6.669 13.260 1.00 0.00 H new ATOM 0 HE1 MET S 42 18.068 8.801 10.018 1.00 0.00 H new ATOM 0 HE2 MET S 42 18.972 7.270 10.087 1.00 0.00 H new ATOM 0 HE3 MET S 42 17.489 7.473 11.051 1.00 0.00 H new ATOM 2340 N LEU S 43 19.935 7.495 17.543 1.00 0.00 N ATOM 2341 CA LEU S 43 19.616 6.652 18.734 1.00 0.00 C ATOM 2342 C LEU S 43 18.134 6.312 18.804 1.00 0.00 C ATOM 2343 O LEU S 43 17.689 5.702 19.757 1.00 0.00 O ATOM 2344 CB LEU S 43 19.960 7.446 20.002 1.00 0.00 C ATOM 2345 CG LEU S 43 21.156 6.801 20.708 1.00 0.00 C ATOM 2346 CD1 LEU S 43 21.789 7.797 21.692 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.678 5.575 21.494 1.00 0.00 C ATOM 0 H LEU S 43 20.203 8.458 17.745 1.00 0.00 H new ATOM 0 HA LEU S 43 20.192 5.730 18.654 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.192 8.479 19.744 1.00 0.00 H new ATOM 0 HB3 LEU S 43 19.100 7.470 20.672 1.00 0.00 H new ATOM 0 HG LEU S 43 21.893 6.509 19.959 1.00 0.00 H new ATOM 0 HD11 LEU S 43 22.638 7.328 22.188 1.00 0.00 H new ATOM 0 HD12 LEU S 43 22.128 8.679 21.149 1.00 0.00 H new ATOM 0 HD13 LEU S 43 21.050 8.091 22.437 1.00 0.00 H new ATOM 0 HD21 LEU S 43 21.527 5.113 21.998 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.940 5.883 22.234 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.228 4.857 20.809 1.00 0.00 H new ATOM 2359 N THR S 44 17.393 6.715 17.814 1.00 0.00 N ATOM 2360 CA THR S 44 15.939 6.407 17.839 1.00 0.00 C ATOM 2361 C THR S 44 15.718 4.939 18.240 1.00 0.00 C ATOM 2362 O THR S 44 16.546 4.100 17.952 1.00 0.00 O ATOM 2363 CB THR S 44 15.376 6.630 16.431 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.164 5.820 15.578 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.644 8.065 15.955 1.00 0.00 C ATOM 0 H THR S 44 17.723 7.236 17.001 1.00 0.00 H new ATOM 0 HA THR S 44 15.439 7.052 18.562 1.00 0.00 H new ATOM 0 HB THR S 44 14.307 6.419 16.425 1.00 0.00 H new ATOM 0 HG1 THR S 44 15.851 5.917 14.654 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.235 8.198 14.953 1.00 0.00 H new ATOM 0 HG22 THR S 44 15.169 8.770 16.638 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.718 8.247 15.935 1.00 0.00 H new ATOM 2373 N PRO S 45 14.617 4.642 18.910 1.00 0.00 N ATOM 2374 CA PRO S 45 14.336 3.259 19.328 1.00 0.00 C ATOM 2375 C PRO S 45 14.397 2.302 18.138 1.00 0.00 C ATOM 2376 O PRO S 45 14.582 1.112 18.301 1.00 0.00 O ATOM 2377 CB PRO S 45 12.905 3.302 19.891 1.00 0.00 C ATOM 2378 CG PRO S 45 12.424 4.775 19.843 1.00 0.00 C ATOM 2379 CD PRO S 45 13.578 5.622 19.291 1.00 0.00 C ATOM 0 HA PRO S 45 15.066 2.903 20.055 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.244 2.664 19.304 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.885 2.926 20.914 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.542 4.869 19.209 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.139 5.118 20.838 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.259 6.214 18.433 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.949 6.321 20.040 1.00 0.00 H new ATOM 2387 N ASP S 46 14.240 2.849 16.964 1.00 0.00 N ATOM 2388 CA ASP S 46 14.283 2.002 15.744 1.00 0.00 C ATOM 2389 C ASP S 46 15.672 1.400 15.553 1.00 0.00 C ATOM 2390 O ASP S 46 15.835 0.435 14.836 1.00 0.00 O ATOM 2391 CB ASP S 46 13.970 2.890 14.533 1.00 0.00 C ATOM 2392 CG ASP S 46 13.482 2.018 13.375 1.00 0.00 C ATOM 2393 OD1 ASP S 46 14.249 1.151 12.991 1.00 0.00 O ATOM 2394 OD2 ASP S 46 12.372 2.270 12.938 1.00 0.00 O ATOM 0 H ASP S 46 14.084 3.843 16.799 1.00 0.00 H new ATOM 0 HA ASP S 46 13.558 1.194 15.844 1.00 0.00 H new ATOM 0 HB2 ASP S 46 13.209 3.625 14.795 1.00 0.00 H new ATOM 0 HB3 ASP S 46 14.860 3.444 14.235 1.00 0.00 H new ATOM 2399 N GLU S 47 16.643 1.997 16.193 1.00 0.00 N ATOM 2400 CA GLU S 47 18.040 1.490 16.074 1.00 0.00 C ATOM 2401 C GLU S 47 18.494 0.843 17.379 1.00 0.00 C ATOM 2402 O GLU S 47 19.103 -0.208 17.374 1.00 0.00 O ATOM 2403 CB GLU S 47 18.959 2.681 15.780 1.00 0.00 C ATOM 2404 CG GLU S 47 19.228 2.747 14.277 1.00 0.00 C ATOM 2405 CD GLU S 47 17.898 2.880 13.531 1.00 0.00 C ATOM 2406 OE1 GLU S 47 17.480 4.013 13.367 1.00 0.00 O ATOM 2407 OE2 GLU S 47 17.375 1.839 13.169 1.00 0.00 O ATOM 0 H GLU S 47 16.528 2.814 16.793 1.00 0.00 H new ATOM 0 HA GLU S 47 18.083 0.747 15.277 1.00 0.00 H new ATOM 0 HB2 GLU S 47 18.495 3.607 16.120 1.00 0.00 H new ATOM 0 HB3 GLU S 47 19.897 2.576 16.325 1.00 0.00 H new ATOM 0 HG2 GLU S 47 19.873 3.595 14.048 1.00 0.00 H new ATOM 0 HG3 GLU S 47 19.753 1.850 13.950 1.00 0.00 H new ATOM 2414 N ARG S 48 18.191 1.486 18.473 1.00 0.00 N ATOM 2415 CA ARG S 48 18.601 0.921 19.786 1.00 0.00 C ATOM 2416 C ARG S 48 18.124 -0.520 19.928 1.00 0.00 C ATOM 2417 O ARG S 48 18.892 -1.405 20.248 1.00 0.00 O ATOM 2418 CB ARG S 48 17.961 1.758 20.904 1.00 0.00 C ATOM 2419 CG ARG S 48 18.526 1.301 22.253 1.00 0.00 C ATOM 2420 CD ARG S 48 17.924 2.153 23.374 1.00 0.00 C ATOM 2421 NE ARG S 48 16.595 1.589 23.748 1.00 0.00 N ATOM 2422 CZ ARG S 48 15.987 2.039 24.813 1.00 0.00 C ATOM 2423 NH1 ARG S 48 15.735 3.315 24.904 1.00 0.00 N ATOM 2424 NH2 ARG S 48 15.646 1.192 25.747 1.00 0.00 N ATOM 0 H ARG S 48 17.682 2.369 18.514 1.00 0.00 H new ATOM 0 HA ARG S 48 19.689 0.943 19.853 1.00 0.00 H new ATOM 0 HB2 ARG S 48 18.168 2.817 20.748 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.878 1.640 20.890 1.00 0.00 H new ATOM 0 HG2 ARG S 48 18.296 0.248 22.418 1.00 0.00 H new ATOM 0 HG3 ARG S 48 19.612 1.394 22.255 1.00 0.00 H new ATOM 0 HD2 ARG S 48 18.587 2.161 24.239 1.00 0.00 H new ATOM 0 HD3 ARG S 48 17.816 3.187 23.045 1.00 0.00 H new ATOM 0 HE ARG S 48 16.166 0.860 23.178 1.00 0.00 H new ATOM 0 HH11 ARG S 48 16.012 3.945 24.151 1.00 0.00 H new ATOM 0 HH12 ARG S 48 15.261 3.684 25.728 1.00 0.00 H new ATOM 0 HH21 ARG S 48 15.855 0.200 25.637 1.00 0.00 H new ATOM 0 HH22 ARG S 48 15.170 1.523 26.587 1.00 0.00 H new ATOM 2438 N GLU S 49 16.860 -0.728 19.686 1.00 0.00 N ATOM 2439 CA GLU S 49 16.305 -2.101 19.802 1.00 0.00 C ATOM 2440 C GLU S 49 16.842 -3.014 18.699 1.00 0.00 C ATOM 2441 O GLU S 49 17.123 -4.173 18.934 1.00 0.00 O ATOM 2442 CB GLU S 49 14.779 -2.009 19.665 1.00 0.00 C ATOM 2443 CG GLU S 49 14.227 -1.079 20.751 1.00 0.00 C ATOM 2444 CD GLU S 49 14.302 -1.783 22.106 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.675 -2.825 22.209 1.00 0.00 O ATOM 2446 OE2 GLU S 49 14.981 -1.241 22.962 1.00 0.00 O ATOM 0 H GLU S 49 16.191 -0.008 19.414 1.00 0.00 H new ATOM 0 HA GLU S 49 16.597 -2.520 20.765 1.00 0.00 H new ATOM 0 HB2 GLU S 49 14.513 -1.631 18.678 1.00 0.00 H new ATOM 0 HB3 GLU S 49 14.334 -3.000 19.758 1.00 0.00 H new ATOM 0 HG2 GLU S 49 14.800 -0.152 20.778 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.195 -0.809 20.525 1.00 0.00 H new ATOM 2453 N ALA S 50 16.980 -2.475 17.519 1.00 0.00 N ATOM 2454 CA ALA S 50 17.496 -3.299 16.391 1.00 0.00 C ATOM 2455 C ALA S 50 18.877 -3.870 16.697 1.00 0.00 C ATOM 2456 O ALA S 50 19.112 -5.047 16.524 1.00 0.00 O ATOM 2457 CB ALA S 50 17.604 -2.405 15.152 1.00 0.00 C ATOM 0 H ALA S 50 16.759 -1.506 17.288 1.00 0.00 H new ATOM 0 HA ALA S 50 16.810 -4.130 16.228 1.00 0.00 H new ATOM 0 HB1 ALA S 50 17.981 -2.990 14.313 1.00 0.00 H new ATOM 0 HB2 ALA S 50 16.620 -2.007 14.904 1.00 0.00 H new ATOM 0 HB3 ALA S 50 18.288 -1.581 15.356 1.00 0.00 H new ATOM 2463 N LEU S 51 19.767 -3.028 17.141 1.00 0.00 N ATOM 2464 CA LEU S 51 21.130 -3.524 17.454 1.00 0.00 C ATOM 2465 C LEU S 51 21.082 -4.670 18.460 1.00 0.00 C ATOM 2466 O LEU S 51 21.624 -5.728 18.216 1.00 0.00 O ATOM 2467 CB LEU S 51 21.943 -2.370 18.061 1.00 0.00 C ATOM 2468 CG LEU S 51 23.416 -2.787 18.191 1.00 0.00 C ATOM 2469 CD1 LEU S 51 24.307 -1.624 17.751 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.719 -3.126 19.651 1.00 0.00 C ATOM 0 H LEU S 51 19.611 -2.032 17.298 1.00 0.00 H new ATOM 0 HA LEU S 51 21.589 -3.888 16.535 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.860 -1.484 17.432 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.542 -2.105 19.039 1.00 0.00 H new ATOM 0 HG LEU S 51 23.608 -3.658 17.564 1.00 0.00 H new ATOM 0 HD11 LEU S 51 25.354 -1.914 17.841 1.00 0.00 H new ATOM 0 HD12 LEU S 51 24.088 -1.370 16.714 1.00 0.00 H new ATOM 0 HD13 LEU S 51 24.114 -0.758 18.384 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.764 -3.422 19.746 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.531 -2.252 20.274 1.00 0.00 H new ATOM 0 HD23 LEU S 51 23.078 -3.946 19.975 1.00 0.00 H new ATOM 2482 N GLY S 52 20.426 -4.442 19.566 1.00 0.00 N ATOM 2483 CA GLY S 52 20.333 -5.513 20.601 1.00 0.00 C ATOM 2484 C GLY S 52 20.069 -6.874 19.950 1.00 0.00 C ATOM 2485 O GLY S 52 20.609 -7.879 20.369 1.00 0.00 O ATOM 0 H GLY S 52 19.954 -3.568 19.797 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.259 -5.552 21.175 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.533 -5.279 21.303 1.00 0.00 H new ATOM 2489 N THR S 53 19.244 -6.876 18.942 1.00 0.00 N ATOM 2490 CA THR S 53 18.936 -8.157 18.255 1.00 0.00 C ATOM 2491 C THR S 53 20.139 -8.623 17.438 1.00 0.00 C ATOM 2492 O THR S 53 20.589 -9.745 17.574 1.00 0.00 O ATOM 2493 CB THR S 53 17.754 -7.924 17.311 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.951 -6.952 17.959 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.860 -9.169 17.227 1.00 0.00 C ATOM 0 H THR S 53 18.773 -6.052 18.567 1.00 0.00 H new ATOM 0 HA THR S 53 18.696 -8.919 18.996 1.00 0.00 H new ATOM 0 HB THR S 53 18.120 -7.654 16.320 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.169 -6.751 17.404 1.00 0.00 H new ATOM 0 HG21 THR S 53 16.028 -8.975 16.550 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.443 -10.011 16.854 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.473 -9.406 18.218 1.00 0.00 H new ATOM 2503 N ARG S 54 20.641 -7.750 16.607 1.00 0.00 N ATOM 2504 CA ARG S 54 21.818 -8.117 15.771 1.00 0.00 C ATOM 2505 C ARG S 54 22.901 -8.757 16.635 1.00 0.00 C ATOM 2506 O ARG S 54 23.693 -9.551 16.168 1.00 0.00 O ATOM 2507 CB ARG S 54 22.376 -6.825 15.148 1.00 0.00 C ATOM 2508 CG ARG S 54 23.852 -7.018 14.772 1.00 0.00 C ATOM 2509 CD ARG S 54 24.271 -5.906 13.805 1.00 0.00 C ATOM 2510 NE ARG S 54 23.923 -6.307 12.413 1.00 0.00 N ATOM 2511 CZ ARG S 54 23.340 -5.443 11.628 1.00 0.00 C ATOM 2512 NH1 ARG S 54 22.099 -5.119 11.866 1.00 0.00 N ATOM 2513 NH2 ARG S 54 24.014 -4.937 10.631 1.00 0.00 N ATOM 0 H ARG S 54 20.288 -6.803 16.472 1.00 0.00 H new ATOM 0 HA ARG S 54 21.517 -8.827 15.001 1.00 0.00 H new ATOM 0 HB2 ARG S 54 21.798 -6.560 14.263 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.277 -5.999 15.853 1.00 0.00 H new ATOM 0 HG2 ARG S 54 24.474 -6.993 15.666 1.00 0.00 H new ATOM 0 HG3 ARG S 54 23.998 -7.994 14.309 1.00 0.00 H new ATOM 0 HD2 ARG S 54 23.768 -4.974 14.064 1.00 0.00 H new ATOM 0 HD3 ARG S 54 25.342 -5.723 13.886 1.00 0.00 H new ATOM 0 HE ARG S 54 24.138 -7.246 12.078 1.00 0.00 H new ATOM 0 HH11 ARG S 54 21.604 -5.539 12.653 1.00 0.00 H new ATOM 0 HH12 ARG S 54 21.624 -4.446 11.265 1.00 0.00 H new ATOM 0 HH21 ARG S 54 24.982 -5.218 10.475 1.00 0.00 H new ATOM 0 HH22 ARG S 54 23.573 -4.260 10.008 1.00 0.00 H new ATOM 2527 N VAL S 55 22.907 -8.391 17.883 1.00 0.00 N ATOM 2528 CA VAL S 55 23.918 -8.947 18.818 1.00 0.00 C ATOM 2529 C VAL S 55 23.545 -10.354 19.285 1.00 0.00 C ATOM 2530 O VAL S 55 24.357 -11.257 19.272 1.00 0.00 O ATOM 2531 CB VAL S 55 23.955 -8.043 20.053 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.994 -8.582 21.034 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.341 -6.624 19.639 1.00 0.00 C ATOM 0 H VAL S 55 22.252 -7.728 18.297 1.00 0.00 H new ATOM 0 HA VAL S 55 24.878 -8.994 18.304 1.00 0.00 H new ATOM 0 HB VAL S 55 22.972 -8.027 20.524 1.00 0.00 H new ATOM 0 HG11 VAL S 55 25.027 -7.943 21.917 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.724 -9.596 21.329 1.00 0.00 H new ATOM 0 HG13 VAL S 55 25.974 -8.592 20.557 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.367 -5.982 20.520 1.00 0.00 H new ATOM 0 HG22 VAL S 55 25.325 -6.637 19.170 1.00 0.00 H new ATOM 0 HG23 VAL S 55 23.607 -6.239 18.931 1.00 0.00 H new ATOM 2543 N ARG S 56 22.315 -10.500 19.688 1.00 0.00 N ATOM 2544 CA ARG S 56 21.832 -11.823 20.172 1.00 0.00 C ATOM 2545 C ARG S 56 22.144 -12.978 19.209 1.00 0.00 C ATOM 2546 O ARG S 56 22.893 -13.870 19.541 1.00 0.00 O ATOM 2547 CB ARG S 56 20.314 -11.727 20.343 1.00 0.00 C ATOM 2548 CG ARG S 56 19.997 -10.682 21.416 1.00 0.00 C ATOM 2549 CD ARG S 56 19.737 -11.386 22.748 1.00 0.00 C ATOM 2550 NE ARG S 56 19.693 -10.364 23.832 1.00 0.00 N ATOM 2551 CZ ARG S 56 20.489 -10.486 24.858 1.00 0.00 C ATOM 2552 NH1 ARG S 56 20.507 -11.616 25.511 1.00 0.00 N ATOM 2553 NH2 ARG S 56 21.238 -9.472 25.201 1.00 0.00 N ATOM 0 H ARG S 56 21.618 -9.755 19.703 1.00 0.00 H new ATOM 0 HA ARG S 56 22.348 -12.044 21.106 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.846 -11.450 19.398 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.906 -12.696 20.629 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.828 -9.984 21.517 1.00 0.00 H new ATOM 0 HG3 ARG S 56 19.124 -10.098 21.124 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.796 -11.934 22.708 1.00 0.00 H new ATOM 0 HD3 ARG S 56 20.522 -12.115 22.949 1.00 0.00 H new ATOM 0 HE ARG S 56 19.047 -9.577 23.772 1.00 0.00 H new ATOM 0 HH11 ARG S 56 19.905 -12.385 25.216 1.00 0.00 H new ATOM 0 HH12 ARG S 56 21.123 -11.730 26.316 1.00 0.00 H new ATOM 0 HH21 ARG S 56 21.194 -8.603 24.669 1.00 0.00 H new ATOM 0 HH22 ARG S 56 21.866 -9.550 26.001 1.00 0.00 H new ATOM 2567 N ILE S 57 21.565 -12.945 18.041 1.00 0.00 N ATOM 2568 CA ILE S 57 21.826 -14.046 17.067 1.00 0.00 C ATOM 2569 C ILE S 57 23.317 -14.400 16.950 1.00 0.00 C ATOM 2570 O ILE S 57 23.687 -15.539 17.157 1.00 0.00 O ATOM 2571 CB ILE S 57 21.261 -13.650 15.691 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.881 -14.509 14.588 1.00 0.00 C ATOM 2573 CG2 ILE S 57 21.568 -12.170 15.406 1.00 0.00 C ATOM 2574 CD1 ILE S 57 20.881 -14.645 13.434 1.00 0.00 C ATOM 0 H ILE S 57 20.930 -12.214 17.720 1.00 0.00 H new ATOM 0 HA ILE S 57 21.325 -14.940 17.439 1.00 0.00 H new ATOM 0 HB ILE S 57 20.183 -13.809 15.705 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.805 -14.054 14.232 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.140 -15.493 14.979 1.00 0.00 H new ATOM 0 HG21 ILE S 57 21.166 -11.896 14.431 1.00 0.00 H new ATOM 0 HG22 ILE S 57 21.110 -11.549 16.175 1.00 0.00 H new ATOM 0 HG23 ILE S 57 22.647 -12.015 15.410 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.318 -15.257 12.644 1.00 0.00 H new ATOM 0 HD12 ILE S 57 19.969 -15.118 13.797 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.645 -13.657 13.039 1.00 0.00 H new ATOM 2586 N VAL S 58 24.152 -13.448 16.638 1.00 0.00 N ATOM 2587 CA VAL S 58 25.603 -13.783 16.521 1.00 0.00 C ATOM 2588 C VAL S 58 26.078 -14.564 17.745 1.00 0.00 C ATOM 2589 O VAL S 58 26.464 -15.714 17.649 1.00 0.00 O ATOM 2590 CB VAL S 58 26.404 -12.479 16.428 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.895 -12.814 16.346 1.00 0.00 C ATOM 2592 CG2 VAL S 58 25.993 -11.721 15.164 1.00 0.00 C ATOM 0 H VAL S 58 23.904 -12.474 16.462 1.00 0.00 H new ATOM 0 HA VAL S 58 25.753 -14.395 15.632 1.00 0.00 H new ATOM 0 HB VAL S 58 26.208 -11.864 17.306 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.472 -11.892 16.280 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.194 -13.365 17.238 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.083 -13.424 15.462 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.561 -10.793 15.095 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.197 -12.337 14.288 1.00 0.00 H new ATOM 0 HG23 VAL S 58 24.928 -11.492 15.207 1.00 0.00 H new ATOM 2602 N GLU S 59 26.038 -13.920 18.875 1.00 0.00 N ATOM 2603 CA GLU S 59 26.480 -14.591 20.128 1.00 0.00 C ATOM 2604 C GLU S 59 25.728 -15.907 20.357 1.00 0.00 C ATOM 2605 O GLU S 59 26.320 -16.964 20.459 1.00 0.00 O ATOM 2606 CB GLU S 59 26.156 -13.643 21.293 1.00 0.00 C ATOM 2607 CG GLU S 59 27.277 -13.687 22.333 1.00 0.00 C ATOM 2608 CD GLU S 59 28.363 -12.680 21.948 1.00 0.00 C ATOM 2609 OE1 GLU S 59 28.040 -11.503 21.963 1.00 0.00 O ATOM 2610 OE2 GLU S 59 29.455 -13.144 21.663 1.00 0.00 O ATOM 0 H GLU S 59 25.718 -12.958 18.986 1.00 0.00 H new ATOM 0 HA GLU S 59 27.545 -14.814 20.058 1.00 0.00 H new ATOM 0 HB2 GLU S 59 26.034 -12.626 20.921 1.00 0.00 H new ATOM 0 HB3 GLU S 59 25.211 -13.930 21.753 1.00 0.00 H new ATOM 0 HG2 GLU S 59 26.881 -13.453 23.321 1.00 0.00 H new ATOM 0 HG3 GLU S 59 27.698 -14.691 22.388 1.00 0.00 H new ATOM 2617 N GLU S 60 24.432 -15.802 20.431 1.00 0.00 N ATOM 2618 CA GLU S 60 23.580 -17.005 20.656 1.00 0.00 C ATOM 2619 C GLU S 60 23.844 -18.148 19.667 1.00 0.00 C ATOM 2620 O GLU S 60 24.251 -19.223 20.062 1.00 0.00 O ATOM 2621 CB GLU S 60 22.115 -16.578 20.498 1.00 0.00 C ATOM 2622 CG GLU S 60 21.750 -15.588 21.606 1.00 0.00 C ATOM 2623 CD GLU S 60 20.655 -16.197 22.482 1.00 0.00 C ATOM 2624 OE1 GLU S 60 19.689 -16.660 21.897 1.00 0.00 O ATOM 2625 OE2 GLU S 60 20.844 -16.165 23.687 1.00 0.00 O ATOM 0 H GLU S 60 23.919 -14.924 20.344 1.00 0.00 H new ATOM 0 HA GLU S 60 23.814 -17.382 21.652 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.962 -16.119 19.521 1.00 0.00 H new ATOM 0 HB3 GLU S 60 21.464 -17.451 20.546 1.00 0.00 H new ATOM 0 HG2 GLU S 60 22.629 -15.358 22.209 1.00 0.00 H new ATOM 0 HG3 GLU S 60 21.406 -14.649 21.173 1.00 0.00 H new ATOM 3131 N VAL S 94 28.158 -16.493 2.872 1.00 0.00 N ATOM 3132 CA VAL S 94 29.094 -17.597 3.199 1.00 0.00 C ATOM 3133 C VAL S 94 30.369 -17.006 3.773 1.00 0.00 C ATOM 3134 O VAL S 94 31.065 -17.637 4.543 1.00 0.00 O ATOM 3135 CB VAL S 94 29.420 -18.362 1.910 1.00 0.00 C ATOM 3136 CG1 VAL S 94 30.198 -17.447 0.956 1.00 0.00 C ATOM 3137 CG2 VAL S 94 30.272 -19.588 2.256 1.00 0.00 C ATOM 0 HA VAL S 94 28.645 -18.273 3.926 1.00 0.00 H new ATOM 0 HB VAL S 94 28.496 -18.683 1.428 1.00 0.00 H new ATOM 0 HG11 VAL S 94 30.430 -17.990 0.040 1.00 0.00 H new ATOM 0 HG12 VAL S 94 29.593 -16.573 0.716 1.00 0.00 H new ATOM 0 HG13 VAL S 94 31.125 -17.128 1.433 1.00 0.00 H new ATOM 0 HG21 VAL S 94 30.507 -20.137 1.344 1.00 0.00 H new ATOM 0 HG22 VAL S 94 31.197 -19.265 2.734 1.00 0.00 H new ATOM 0 HG23 VAL S 94 29.719 -20.235 2.936 1.00 0.00 H new ATOM 3147 N GLU S 95 30.644 -15.791 3.387 1.00 0.00 N ATOM 3148 CA GLU S 95 31.864 -15.135 3.897 1.00 0.00 C ATOM 3149 C GLU S 95 31.658 -14.746 5.356 1.00 0.00 C ATOM 3150 O GLU S 95 32.544 -14.222 5.998 1.00 0.00 O ATOM 3151 CB GLU S 95 32.133 -13.878 3.065 1.00 0.00 C ATOM 3152 CG GLU S 95 32.783 -14.295 1.745 1.00 0.00 C ATOM 3153 CD GLU S 95 32.271 -13.396 0.617 1.00 0.00 C ATOM 3154 OE1 GLU S 95 32.243 -12.198 0.848 1.00 0.00 O ATOM 3155 OE2 GLU S 95 31.940 -13.958 -0.414 1.00 0.00 O ATOM 0 H GLU S 95 30.078 -15.234 2.746 1.00 0.00 H new ATOM 0 HA GLU S 95 32.712 -15.816 3.823 1.00 0.00 H new ATOM 0 HB2 GLU S 95 31.202 -13.343 2.876 1.00 0.00 H new ATOM 0 HB3 GLU S 95 32.787 -13.197 3.610 1.00 0.00 H new ATOM 0 HG2 GLU S 95 33.868 -14.218 1.821 1.00 0.00 H new ATOM 0 HG3 GLU S 95 32.552 -15.338 1.527 1.00 0.00 H new ATOM 3162 N LEU S 96 30.472 -15.005 5.843 1.00 0.00 N ATOM 3163 CA LEU S 96 30.171 -14.667 7.256 1.00 0.00 C ATOM 3164 C LEU S 96 30.833 -15.689 8.170 1.00 0.00 C ATOM 3165 O LEU S 96 31.608 -15.343 9.041 1.00 0.00 O ATOM 3166 CB LEU S 96 28.646 -14.726 7.458 1.00 0.00 C ATOM 3167 CG LEU S 96 28.311 -14.647 8.954 1.00 0.00 C ATOM 3168 CD1 LEU S 96 29.039 -13.454 9.578 1.00 0.00 C ATOM 3169 CD2 LEU S 96 26.802 -14.459 9.122 1.00 0.00 C ATOM 0 H LEU S 96 29.706 -15.434 5.323 1.00 0.00 H new ATOM 0 HA LEU S 96 30.546 -13.671 7.491 1.00 0.00 H new ATOM 0 HB2 LEU S 96 28.168 -13.903 6.926 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.251 -15.650 7.037 1.00 0.00 H new ATOM 0 HG LEU S 96 28.627 -15.566 9.448 1.00 0.00 H new ATOM 0 HD11 LEU S 96 28.801 -13.398 10.640 1.00 0.00 H new ATOM 0 HD12 LEU S 96 30.115 -13.578 9.453 1.00 0.00 H new ATOM 0 HD13 LEU S 96 28.720 -12.535 9.086 1.00 0.00 H new ATOM 0 HD21 LEU S 96 26.558 -14.402 10.183 1.00 0.00 H new ATOM 0 HD22 LEU S 96 26.493 -13.537 8.629 1.00 0.00 H new ATOM 0 HD23 LEU S 96 26.278 -15.303 8.674 1.00 0.00 H new ATOM 3181 N ARG S 97 30.513 -16.936 7.951 1.00 0.00 N ATOM 3182 CA ARG S 97 31.106 -17.993 8.784 1.00 0.00 C ATOM 3183 C ARG S 97 32.615 -17.811 8.823 1.00 0.00 C ATOM 3184 O ARG S 97 33.254 -18.058 9.828 1.00 0.00 O ATOM 3185 CB ARG S 97 30.776 -19.333 8.123 1.00 0.00 C ATOM 3186 CG ARG S 97 29.278 -19.626 8.281 1.00 0.00 C ATOM 3187 CD ARG S 97 29.031 -20.423 9.566 1.00 0.00 C ATOM 3188 NE ARG S 97 28.986 -21.874 9.234 1.00 0.00 N ATOM 3189 CZ ARG S 97 30.099 -22.540 9.123 1.00 0.00 C ATOM 3190 NH1 ARG S 97 31.062 -22.301 9.966 1.00 0.00 N ATOM 3191 NH2 ARG S 97 30.214 -23.428 8.172 1.00 0.00 N ATOM 0 H ARG S 97 29.867 -17.257 7.230 1.00 0.00 H new ATOM 0 HA ARG S 97 30.715 -17.954 9.801 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.043 -19.305 7.066 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.363 -20.130 8.579 1.00 0.00 H new ATOM 0 HG2 ARG S 97 28.718 -18.692 8.310 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.916 -20.188 7.420 1.00 0.00 H new ATOM 0 HD2 ARG S 97 29.822 -20.226 10.289 1.00 0.00 H new ATOM 0 HD3 ARG S 97 28.093 -20.113 10.027 1.00 0.00 H new ATOM 0 HE ARG S 97 28.091 -22.342 9.095 1.00 0.00 H new ATOM 0 HH11 ARG S 97 30.937 -21.602 10.698 1.00 0.00 H new ATOM 0 HH12 ARG S 97 31.941 -22.813 9.894 1.00 0.00 H new ATOM 0 HH21 ARG S 97 29.438 -23.591 7.530 1.00 0.00 H new ATOM 0 HH22 ARG S 97 31.079 -23.958 8.071 1.00 0.00 H new ATOM 3205 N GLN S 98 33.152 -17.364 7.718 1.00 0.00 N ATOM 3206 CA GLN S 98 34.609 -17.152 7.647 1.00 0.00 C ATOM 3207 C GLN S 98 35.050 -16.124 8.677 1.00 0.00 C ATOM 3208 O GLN S 98 35.933 -16.382 9.469 1.00 0.00 O ATOM 3209 CB GLN S 98 34.934 -16.615 6.253 1.00 0.00 C ATOM 3210 CG GLN S 98 34.706 -17.716 5.219 1.00 0.00 C ATOM 3211 CD GLN S 98 35.988 -18.536 5.039 1.00 0.00 C ATOM 3212 OE1 GLN S 98 36.454 -19.186 5.953 1.00 0.00 O ATOM 3213 NE2 GLN S 98 36.583 -18.536 3.875 1.00 0.00 N ATOM 0 H GLN S 98 32.636 -17.139 6.867 1.00 0.00 H new ATOM 0 HA GLN S 98 35.125 -18.091 7.845 1.00 0.00 H new ATOM 0 HB2 GLN S 98 34.306 -15.753 6.028 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.968 -16.274 6.215 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.891 -18.365 5.540 1.00 0.00 H new ATOM 0 HG3 GLN S 98 34.408 -17.277 4.267 1.00 0.00 H new ATOM 0 HE21 GLN S 98 36.196 -17.992 3.104 1.00 0.00 H new ATOM 0 HE22 GLN S 98 37.435 -19.080 3.738 1.00 0.00 H new ATOM 3222 N TRP S 99 34.423 -14.974 8.658 1.00 0.00 N ATOM 3223 CA TRP S 99 34.826 -13.939 9.652 1.00 0.00 C ATOM 3224 C TRP S 99 34.462 -14.338 11.077 1.00 0.00 C ATOM 3225 O TRP S 99 35.293 -14.333 11.960 1.00 0.00 O ATOM 3226 CB TRP S 99 34.141 -12.591 9.391 1.00 0.00 C ATOM 3227 CG TRP S 99 34.744 -11.655 10.396 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.036 -11.283 10.399 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.086 -11.091 11.393 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.107 -10.461 11.430 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.951 -10.287 12.096 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.765 -11.200 11.814 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.523 -9.595 13.173 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.346 -10.491 12.910 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.228 -9.695 13.580 1.00 0.00 C ATOM 0 H TRP S 99 33.673 -14.714 8.018 1.00 0.00 H new ATOM 0 HA TRP S 99 35.907 -13.851 9.541 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.320 -12.247 8.372 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.061 -12.665 9.517 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.823 -11.583 9.723 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.972 -9.994 11.701 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.075 -11.838 11.282 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.210 -8.960 13.713 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.321 -10.563 13.242 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.895 -9.138 14.443 1.00 0.00 H new ATOM 3246 N LEU S 100 33.215 -14.619 11.281 1.00 0.00 N ATOM 3247 CA LEU S 100 32.763 -15.018 12.640 1.00 0.00 C ATOM 3248 C LEU S 100 33.746 -15.986 13.303 1.00 0.00 C ATOM 3249 O LEU S 100 33.904 -15.983 14.508 1.00 0.00 O ATOM 3250 CB LEU S 100 31.400 -15.691 12.504 1.00 0.00 C ATOM 3251 CG LEU S 100 30.501 -15.221 13.650 1.00 0.00 C ATOM 3252 CD1 LEU S 100 30.080 -13.766 13.414 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.254 -16.095 13.689 1.00 0.00 C ATOM 0 H LEU S 100 32.485 -14.591 10.569 1.00 0.00 H new ATOM 0 HA LEU S 100 32.704 -14.130 13.269 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.949 -15.440 11.544 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.510 -16.775 12.531 1.00 0.00 H new ATOM 0 HG LEU S 100 31.044 -15.294 14.592 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.440 -13.435 14.232 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.967 -13.134 13.368 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.534 -13.693 12.474 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.606 -15.768 14.502 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.720 -16.009 12.743 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.543 -17.134 13.850 1.00 0.00 H new ATOM 3265 N GLU S 101 34.389 -16.798 12.508 1.00 0.00 N ATOM 3266 CA GLU S 101 35.363 -17.770 13.081 1.00 0.00 C ATOM 3267 C GLU S 101 36.639 -17.086 13.585 1.00 0.00 C ATOM 3268 O GLU S 101 37.337 -17.615 14.425 1.00 0.00 O ATOM 3269 CB GLU S 101 35.752 -18.752 11.970 1.00 0.00 C ATOM 3270 CG GLU S 101 36.013 -20.127 12.580 1.00 0.00 C ATOM 3271 CD GLU S 101 36.771 -20.990 11.571 1.00 0.00 C ATOM 3272 OE1 GLU S 101 36.263 -21.103 10.467 1.00 0.00 O ATOM 3273 OE2 GLU S 101 37.815 -21.487 11.957 1.00 0.00 O ATOM 0 H GLU S 101 34.283 -16.831 11.494 1.00 0.00 H new ATOM 0 HA GLU S 101 34.893 -18.267 13.929 1.00 0.00 H new ATOM 0 HB2 GLU S 101 34.955 -18.815 11.229 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.642 -18.397 11.450 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.592 -20.027 13.498 1.00 0.00 H new ATOM 0 HG3 GLU S 101 35.070 -20.604 12.848 1.00 0.00 H new ATOM 3280 N GLU S 102 36.918 -15.930 13.061 1.00 0.00 N ATOM 3281 CA GLU S 102 38.141 -15.198 13.493 1.00 0.00 C ATOM 3282 C GLU S 102 37.896 -14.264 14.681 1.00 0.00 C ATOM 3283 O GLU S 102 38.803 -13.985 15.437 1.00 0.00 O ATOM 3284 CB GLU S 102 38.608 -14.351 12.303 1.00 0.00 C ATOM 3285 CG GLU S 102 38.680 -15.245 11.065 1.00 0.00 C ATOM 3286 CD GLU S 102 39.431 -14.518 9.948 1.00 0.00 C ATOM 3287 OE1 GLU S 102 38.901 -13.514 9.503 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.491 -15.012 9.599 1.00 0.00 O ATOM 0 H GLU S 102 36.355 -15.459 12.353 1.00 0.00 H new ATOM 0 HA GLU S 102 38.881 -15.932 13.810 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.918 -13.525 12.133 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.584 -13.913 12.511 1.00 0.00 H new ATOM 0 HG2 GLU S 102 39.186 -16.180 11.308 1.00 0.00 H new ATOM 0 HG3 GLU S 102 37.675 -15.504 10.732 1.00 0.00 H new ATOM 3295 N VAL S 103 36.686 -13.801 14.837 1.00 0.00 N ATOM 3296 CA VAL S 103 36.413 -12.882 15.983 1.00 0.00 C ATOM 3297 C VAL S 103 35.986 -13.610 17.264 1.00 0.00 C ATOM 3298 O VAL S 103 36.454 -13.279 18.336 1.00 0.00 O ATOM 3299 CB VAL S 103 35.304 -11.903 15.566 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.192 -12.659 14.831 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.728 -11.222 16.813 1.00 0.00 C ATOM 0 H VAL S 103 35.889 -14.012 14.236 1.00 0.00 H new ATOM 0 HA VAL S 103 37.345 -12.366 16.215 1.00 0.00 H new ATOM 0 HB VAL S 103 35.722 -11.148 14.900 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.409 -11.960 14.538 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.603 -13.137 13.942 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.772 -13.419 15.490 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.941 -10.528 16.518 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.314 -11.977 17.481 1.00 0.00 H new ATOM 0 HG23 VAL S 103 35.519 -10.677 17.328 1.00 0.00 H new ATOM 3311 N LEU S 104 35.117 -14.580 17.147 1.00 0.00 N ATOM 3312 CA LEU S 104 34.674 -15.308 18.374 1.00 0.00 C ATOM 3313 C LEU S 104 35.505 -16.569 18.629 1.00 0.00 C ATOM 3314 O LEU S 104 36.228 -16.638 19.605 1.00 0.00 O ATOM 3315 CB LEU S 104 33.205 -15.715 18.196 1.00 0.00 C ATOM 3316 CG LEU S 104 32.329 -14.455 18.127 1.00 0.00 C ATOM 3317 CD1 LEU S 104 30.892 -14.858 17.795 1.00 0.00 C ATOM 3318 CD2 LEU S 104 32.339 -13.727 19.477 1.00 0.00 C ATOM 0 H LEU S 104 34.701 -14.896 16.271 1.00 0.00 H new ATOM 0 HA LEU S 104 34.805 -14.642 19.227 1.00 0.00 H new ATOM 0 HB2 LEU S 104 33.087 -16.303 17.286 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.888 -16.346 19.026 1.00 0.00 H new ATOM 0 HG LEU S 104 32.724 -13.792 17.357 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.266 -13.967 17.745 1.00 0.00 H new ATOM 0 HD12 LEU S 104 30.871 -15.371 16.833 1.00 0.00 H new ATOM 0 HD13 LEU S 104 30.513 -15.524 18.570 1.00 0.00 H new ATOM 0 HD21 LEU S 104 31.714 -12.836 19.414 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.950 -14.389 20.250 1.00 0.00 H new ATOM 0 HD23 LEU S 104 33.360 -13.438 19.727 1.00 0.00 H new ATOM 3330 N LEU S 105 35.376 -17.542 17.760 1.00 0.00 N ATOM 3331 CA LEU S 105 36.155 -18.805 17.947 1.00 0.00 C ATOM 3332 C LEU S 105 37.568 -18.497 18.436 1.00 0.00 C ATOM 3333 O LEU S 105 37.979 -18.945 19.487 1.00 0.00 O ATOM 3334 CB LEU S 105 36.260 -19.526 16.593 1.00 0.00 C ATOM 3335 CG LEU S 105 36.255 -21.058 16.781 1.00 0.00 C ATOM 3336 CD1 LEU S 105 37.332 -21.468 17.800 1.00 0.00 C ATOM 3337 CD2 LEU S 105 34.867 -21.537 17.247 1.00 0.00 C ATOM 0 H LEU S 105 34.772 -17.517 16.938 1.00 0.00 H new ATOM 0 HA LEU S 105 35.646 -19.426 18.684 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.427 -19.232 15.954 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.175 -19.221 16.085 1.00 0.00 H new ATOM 0 HG LEU S 105 36.479 -21.529 15.824 1.00 0.00 H new ATOM 0 HD11 LEU S 105 37.321 -22.551 17.926 1.00 0.00 H new ATOM 0 HD12 LEU S 105 38.312 -21.155 17.440 1.00 0.00 H new ATOM 0 HD13 LEU S 105 37.128 -20.989 18.758 1.00 0.00 H new ATOM 0 HD21 LEU S 105 34.880 -22.619 17.375 1.00 0.00 H new ATOM 0 HD22 LEU S 105 34.618 -21.062 18.196 1.00 0.00 H new ATOM 0 HD23 LEU S 105 34.120 -21.269 16.500 1.00 0.00 H new