USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: S 31 GLN : amide:sc= -1.64 K(o=-4.2,f=-2.1) USER MOD Set 1.2: S 32 ASN : amide:sc= -2.59! C(o=-4.2!,f=-5.3!) USER MOD Single : R 16 HIS : no HE2:sc= 0.33 K(o=0.33,f=-1.4) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 27 LYS NZ :NH3+ 154:sc= -0.0403 (180deg=-0.824) USER MOD Single : R 28 ASN : amide:sc= -5.93! C(o=-5.9!,f=-3.1!) USER MOD Single : R 30 TYR OH : rot 30:sc= -0.0554 USER MOD Single : R 31 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.7!) USER MOD Single : R 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 35 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-4.6!) USER MOD Single : R 40 ASN : amide:sc= -2.38 X(o=-2.4,f=-2.2) USER MOD Single : R 42 MET CE :methyl 178:sc= 0 (180deg=-0.00968) USER MOD Single : R 44 THR OG1 : rot -63:sc= 0.396 USER MOD Single : R 53 THR OG1 : rot 92:sc= 0.43 USER MOD Single : R 98 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : S 16 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.28) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 27 LYS NZ :NH3+ -179:sc= 1.03 (180deg=1.02) USER MOD Single : S 28 ASN : amide:sc= 0.383 X(o=0.38,f=-0.015) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 35 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-7.2!) USER MOD Single : S 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 42 MET CE :methyl 152:sc= -0.294 (180deg=-1.61!) USER MOD Single : S 44 THR OG1 : rot 46:sc= -0.561! USER MOD Single : S 53 THR OG1 : rot 119:sc= 0.575 USER MOD Single : S 98 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 24.290 -0.173 29.659 1.00 0.00 N ATOM 181 CA HIS R 16 25.765 -0.025 29.532 1.00 0.00 C ATOM 182 C HIS R 16 26.441 -1.392 29.589 1.00 0.00 C ATOM 183 O HIS R 16 27.487 -1.547 30.191 1.00 0.00 O ATOM 184 CB HIS R 16 26.267 0.829 30.704 1.00 0.00 C ATOM 185 CG HIS R 16 27.526 1.585 30.277 1.00 0.00 C ATOM 186 ND1 HIS R 16 28.628 1.046 29.956 1.00 0.00 N ATOM 187 CD2 HIS R 16 27.748 2.944 30.156 1.00 0.00 C ATOM 188 CE1 HIS R 16 29.497 1.935 29.654 1.00 0.00 C ATOM 189 NE2 HIS R 16 29.011 3.163 29.757 1.00 0.00 N ATOM 0 HA HIS R 16 26.003 0.447 28.579 1.00 0.00 H new ATOM 0 HB2 HIS R 16 25.494 1.533 31.013 1.00 0.00 H new ATOM 0 HB3 HIS R 16 26.484 0.195 31.564 1.00 0.00 H new ATOM 0 HD1 HIS R 16 28.798 0.040 29.941 1.00 0.00 H new ATOM 0 HD2 HIS R 16 27.016 3.713 30.353 1.00 0.00 H new ATOM 0 HE1 HIS R 16 30.509 1.710 29.350 1.00 0.00 H new ATOM 197 N GLN R 17 25.822 -2.355 28.955 1.00 0.00 N ATOM 198 CA GLN R 17 26.390 -3.731 28.944 1.00 0.00 C ATOM 199 C GLN R 17 26.563 -4.238 27.516 1.00 0.00 C ATOM 200 O GLN R 17 27.653 -4.236 26.979 1.00 0.00 O ATOM 201 CB GLN R 17 25.404 -4.655 29.667 1.00 0.00 C ATOM 202 CG GLN R 17 25.295 -4.221 31.128 1.00 0.00 C ATOM 203 CD GLN R 17 23.960 -4.700 31.705 1.00 0.00 C ATOM 204 OE1 GLN R 17 23.192 -3.930 32.248 1.00 0.00 O ATOM 205 NE2 GLN R 17 23.644 -5.962 31.610 1.00 0.00 N ATOM 0 H GLN R 17 24.946 -2.245 28.444 1.00 0.00 H new ATOM 0 HA GLN R 17 27.364 -3.719 29.433 1.00 0.00 H new ATOM 0 HB2 GLN R 17 24.426 -4.611 29.187 1.00 0.00 H new ATOM 0 HB3 GLN R 17 25.743 -5.689 29.606 1.00 0.00 H new ATOM 0 HG2 GLN R 17 26.122 -4.636 31.704 1.00 0.00 H new ATOM 0 HG3 GLN R 17 25.367 -3.136 31.202 1.00 0.00 H new ATOM 0 HE21 GLN R 17 24.283 -6.615 31.156 1.00 0.00 H new ATOM 0 HE22 GLN R 17 22.758 -6.296 31.990 1.00 0.00 H new ATOM 214 N GLU R 18 25.477 -4.662 26.931 1.00 0.00 N ATOM 215 CA GLU R 18 25.548 -5.177 25.536 1.00 0.00 C ATOM 216 C GLU R 18 25.886 -4.064 24.545 1.00 0.00 C ATOM 217 O GLU R 18 26.602 -4.286 23.589 1.00 0.00 O ATOM 218 CB GLU R 18 24.189 -5.788 25.154 1.00 0.00 C ATOM 219 CG GLU R 18 23.039 -4.920 25.686 1.00 0.00 C ATOM 220 CD GLU R 18 22.341 -5.659 26.831 1.00 0.00 C ATOM 221 OE1 GLU R 18 21.635 -6.602 26.515 1.00 0.00 O ATOM 222 OE2 GLU R 18 22.555 -5.240 27.956 1.00 0.00 O ATOM 0 H GLU R 18 24.550 -4.674 27.356 1.00 0.00 H new ATOM 0 HA GLU R 18 26.336 -5.929 25.491 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.115 -5.875 24.070 1.00 0.00 H new ATOM 0 HB3 GLU R 18 24.110 -6.796 25.561 1.00 0.00 H new ATOM 0 HG2 GLU R 18 23.422 -3.961 26.036 1.00 0.00 H new ATOM 0 HG3 GLU R 18 22.328 -4.707 24.887 1.00 0.00 H new ATOM 229 N TRP R 19 25.363 -2.893 24.784 1.00 0.00 N ATOM 230 CA TRP R 19 25.650 -1.760 23.858 1.00 0.00 C ATOM 231 C TRP R 19 27.118 -1.736 23.437 1.00 0.00 C ATOM 232 O TRP R 19 27.459 -1.192 22.406 1.00 0.00 O ATOM 233 CB TRP R 19 25.355 -0.446 24.582 1.00 0.00 C ATOM 234 CG TRP R 19 25.880 0.694 23.712 1.00 0.00 C ATOM 235 CD1 TRP R 19 27.108 1.233 23.813 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.220 1.245 22.695 1.00 0.00 C ATOM 237 NE1 TRP R 19 27.147 2.114 22.816 1.00 0.00 N ATOM 238 CE2 TRP R 19 26.019 2.186 22.070 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.937 1.017 22.230 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.543 2.892 20.989 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.461 1.739 21.146 1.00 0.00 C ATOM 242 CH2 TRP R 19 24.267 2.672 20.529 1.00 0.00 C ATOM 0 H TRP R 19 24.755 -2.672 25.573 1.00 0.00 H new ATOM 0 HA TRP R 19 25.027 -1.885 22.972 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.284 -0.335 24.751 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.836 -0.433 25.560 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.880 1.005 24.533 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.966 2.692 22.628 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.309 0.280 22.709 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 26.174 3.621 20.501 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.457 1.570 20.785 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.895 3.231 19.683 1.00 0.00 H new ATOM 253 N LEU R 20 27.961 -2.327 24.238 1.00 0.00 N ATOM 254 CA LEU R 20 29.410 -2.341 23.893 1.00 0.00 C ATOM 255 C LEU R 20 29.792 -3.569 23.067 1.00 0.00 C ATOM 256 O LEU R 20 30.466 -3.457 22.063 1.00 0.00 O ATOM 257 CB LEU R 20 30.217 -2.380 25.199 1.00 0.00 C ATOM 258 CG LEU R 20 30.129 -1.023 25.897 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.291 -1.228 27.404 1.00 0.00 C ATOM 260 CD2 LEU R 20 31.257 -0.118 25.395 1.00 0.00 C ATOM 0 H LEU R 20 27.712 -2.797 25.109 1.00 0.00 H new ATOM 0 HA LEU R 20 29.625 -1.449 23.304 1.00 0.00 H new ATOM 0 HB2 LEU R 20 29.832 -3.162 25.853 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.258 -2.625 24.988 1.00 0.00 H new ATOM 0 HG LEU R 20 29.165 -0.562 25.682 1.00 0.00 H new ATOM 0 HD11 LEU R 20 30.230 -0.265 27.911 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.499 -1.882 27.770 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.260 -1.684 27.607 1.00 0.00 H new ATOM 0 HD21 LEU R 20 31.195 0.850 25.892 1.00 0.00 H new ATOM 0 HD22 LEU R 20 32.219 -0.579 25.617 1.00 0.00 H new ATOM 0 HD23 LEU R 20 31.161 0.020 24.318 1.00 0.00 H new ATOM 272 N ARG R 21 29.356 -4.718 23.504 1.00 0.00 N ATOM 273 CA ARG R 21 29.694 -5.957 22.753 1.00 0.00 C ATOM 274 C ARG R 21 29.238 -5.894 21.296 1.00 0.00 C ATOM 275 O ARG R 21 29.854 -6.485 20.433 1.00 0.00 O ATOM 276 CB ARG R 21 29.000 -7.140 23.435 1.00 0.00 C ATOM 277 CG ARG R 21 29.989 -7.835 24.381 1.00 0.00 C ATOM 278 CD ARG R 21 30.900 -8.785 23.588 1.00 0.00 C ATOM 279 NE ARG R 21 31.625 -9.664 24.546 1.00 0.00 N ATOM 280 CZ ARG R 21 32.915 -9.532 24.691 1.00 0.00 C ATOM 281 NH1 ARG R 21 33.379 -8.455 25.262 1.00 0.00 N ATOM 282 NH2 ARG R 21 33.699 -10.478 24.255 1.00 0.00 N ATOM 0 H ARG R 21 28.786 -4.851 24.340 1.00 0.00 H new ATOM 0 HA ARG R 21 30.778 -6.070 22.757 1.00 0.00 H new ATOM 0 HB2 ARG R 21 28.129 -6.793 23.992 1.00 0.00 H new ATOM 0 HB3 ARG R 21 28.639 -7.845 22.686 1.00 0.00 H new ATOM 0 HG2 ARG R 21 30.592 -7.090 24.901 1.00 0.00 H new ATOM 0 HG3 ARG R 21 29.445 -8.393 25.143 1.00 0.00 H new ATOM 0 HD2 ARG R 21 30.309 -9.386 22.897 1.00 0.00 H new ATOM 0 HD3 ARG R 21 31.609 -8.215 22.988 1.00 0.00 H new ATOM 0 HE ARG R 21 31.117 -10.365 25.085 1.00 0.00 H new ATOM 0 HH11 ARG R 21 32.736 -7.733 25.587 1.00 0.00 H new ATOM 0 HH12 ARG R 21 34.385 -8.335 25.384 1.00 0.00 H new ATOM 0 HH21 ARG R 21 33.301 -11.305 23.809 1.00 0.00 H new ATOM 0 HH22 ARG R 21 34.710 -10.391 24.360 1.00 0.00 H new ATOM 296 N PHE R 22 28.173 -5.189 21.037 1.00 0.00 N ATOM 297 CA PHE R 22 27.701 -5.108 19.628 1.00 0.00 C ATOM 298 C PHE R 22 28.669 -4.290 18.785 1.00 0.00 C ATOM 299 O PHE R 22 29.417 -4.834 17.996 1.00 0.00 O ATOM 300 CB PHE R 22 26.331 -4.426 19.591 1.00 0.00 C ATOM 301 CG PHE R 22 26.055 -3.963 18.159 1.00 0.00 C ATOM 302 CD1 PHE R 22 26.096 -4.867 17.114 1.00 0.00 C ATOM 303 CD2 PHE R 22 25.772 -2.636 17.889 1.00 0.00 C ATOM 304 CE1 PHE R 22 25.860 -4.453 15.819 1.00 0.00 C ATOM 305 CE2 PHE R 22 25.536 -2.222 16.591 1.00 0.00 C ATOM 306 CZ PHE R 22 25.578 -3.132 15.558 1.00 0.00 C ATOM 0 H PHE R 22 27.619 -4.676 21.723 1.00 0.00 H new ATOM 0 HA PHE R 22 27.638 -6.119 19.226 1.00 0.00 H new ATOM 0 HB2 PHE R 22 25.555 -5.117 19.921 1.00 0.00 H new ATOM 0 HB3 PHE R 22 26.313 -3.576 20.274 1.00 0.00 H new ATOM 0 HD1 PHE R 22 26.315 -5.906 17.313 1.00 0.00 H new ATOM 0 HD2 PHE R 22 25.735 -1.920 18.696 1.00 0.00 H new ATOM 0 HE1 PHE R 22 25.897 -5.167 15.009 1.00 0.00 H new ATOM 0 HE2 PHE R 22 25.319 -1.184 16.387 1.00 0.00 H new ATOM 0 HZ PHE R 22 25.390 -2.809 14.545 1.00 0.00 H new ATOM 316 N VAL R 23 28.621 -2.997 18.962 1.00 0.00 N ATOM 317 CA VAL R 23 29.525 -2.106 18.188 1.00 0.00 C ATOM 318 C VAL R 23 30.904 -2.736 18.041 1.00 0.00 C ATOM 319 O VAL R 23 31.594 -2.504 17.068 1.00 0.00 O ATOM 320 CB VAL R 23 29.659 -0.792 18.959 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.324 -0.046 18.902 1.00 0.00 C ATOM 322 CG2 VAL R 23 30.002 -1.096 20.418 1.00 0.00 C ATOM 0 H VAL R 23 27.993 -2.521 19.610 1.00 0.00 H new ATOM 0 HA VAL R 23 29.112 -1.941 17.193 1.00 0.00 H new ATOM 0 HB VAL R 23 30.446 -0.181 18.517 1.00 0.00 H new ATOM 0 HG11 VAL R 23 28.408 0.893 19.449 1.00 0.00 H new ATOM 0 HG12 VAL R 23 28.067 0.161 17.863 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.545 -0.660 19.353 1.00 0.00 H new ATOM 0 HG21 VAL R 23 30.098 -0.162 20.971 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.209 -1.699 20.860 1.00 0.00 H new ATOM 0 HG23 VAL R 23 30.943 -1.644 20.464 1.00 0.00 H new ATOM 332 N ASP R 24 31.277 -3.526 19.010 1.00 0.00 N ATOM 333 CA ASP R 24 32.605 -4.180 18.942 1.00 0.00 C ATOM 334 C ASP R 24 32.632 -5.172 17.783 1.00 0.00 C ATOM 335 O ASP R 24 33.428 -5.048 16.879 1.00 0.00 O ATOM 336 CB ASP R 24 32.845 -4.929 20.261 1.00 0.00 C ATOM 337 CG ASP R 24 34.034 -5.879 20.106 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.046 -5.405 19.616 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.863 -7.025 20.490 1.00 0.00 O ATOM 0 H ASP R 24 30.722 -3.743 19.838 1.00 0.00 H new ATOM 0 HA ASP R 24 33.381 -3.431 18.786 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.038 -4.218 21.064 1.00 0.00 H new ATOM 0 HB3 ASP R 24 31.953 -5.490 20.539 1.00 0.00 H new ATOM 344 N LEU R 25 31.748 -6.131 17.827 1.00 0.00 N ATOM 345 CA LEU R 25 31.707 -7.138 16.734 1.00 0.00 C ATOM 346 C LEU R 25 31.534 -6.462 15.373 1.00 0.00 C ATOM 347 O LEU R 25 32.176 -6.821 14.406 1.00 0.00 O ATOM 348 CB LEU R 25 30.499 -8.059 16.977 1.00 0.00 C ATOM 349 CG LEU R 25 30.672 -8.799 18.307 1.00 0.00 C ATOM 350 CD1 LEU R 25 29.293 -9.185 18.848 1.00 0.00 C ATOM 351 CD2 LEU R 25 31.487 -10.076 18.080 1.00 0.00 C ATOM 0 H LEU R 25 31.058 -6.259 18.567 1.00 0.00 H new ATOM 0 HA LEU R 25 32.643 -7.697 16.730 1.00 0.00 H new ATOM 0 HB2 LEU R 25 29.580 -7.473 16.993 1.00 0.00 H new ATOM 0 HB3 LEU R 25 30.406 -8.775 16.161 1.00 0.00 H new ATOM 0 HG LEU R 25 31.188 -8.153 19.017 1.00 0.00 H new ATOM 0 HD11 LEU R 25 29.408 -9.712 19.795 1.00 0.00 H new ATOM 0 HD12 LEU R 25 28.698 -8.285 19.004 1.00 0.00 H new ATOM 0 HD13 LEU R 25 28.789 -9.833 18.131 1.00 0.00 H new ATOM 0 HD21 LEU R 25 31.610 -10.602 19.027 1.00 0.00 H new ATOM 0 HD22 LEU R 25 30.965 -10.720 17.372 1.00 0.00 H new ATOM 0 HD23 LEU R 25 32.467 -9.816 17.680 1.00 0.00 H new ATOM 363 N LEU R 26 30.673 -5.488 15.321 1.00 0.00 N ATOM 364 CA LEU R 26 30.451 -4.787 14.031 1.00 0.00 C ATOM 365 C LEU R 26 31.738 -4.143 13.504 1.00 0.00 C ATOM 366 O LEU R 26 32.379 -4.662 12.604 1.00 0.00 O ATOM 367 CB LEU R 26 29.393 -3.697 14.261 1.00 0.00 C ATOM 368 CG LEU R 26 28.912 -3.143 12.912 1.00 0.00 C ATOM 369 CD1 LEU R 26 27.799 -4.035 12.346 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.358 -1.734 13.126 1.00 0.00 C ATOM 0 H LEU R 26 30.119 -5.150 16.108 1.00 0.00 H new ATOM 0 HA LEU R 26 30.120 -5.512 13.287 1.00 0.00 H new ATOM 0 HB2 LEU R 26 28.550 -4.108 14.817 1.00 0.00 H new ATOM 0 HB3 LEU R 26 29.812 -2.893 14.866 1.00 0.00 H new ATOM 0 HG LEU R 26 29.747 -3.121 12.212 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.463 -3.635 11.389 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.180 -5.046 12.203 1.00 0.00 H new ATOM 0 HD13 LEU R 26 26.961 -4.058 13.043 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.013 -1.330 12.174 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.524 -1.773 13.827 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.141 -1.093 13.530 1.00 0.00 H new ATOM 382 N LYS R 27 32.099 -3.030 14.079 1.00 0.00 N ATOM 383 CA LYS R 27 33.329 -2.343 13.623 1.00 0.00 C ATOM 384 C LYS R 27 34.520 -3.300 13.544 1.00 0.00 C ATOM 385 O LYS R 27 35.523 -2.982 12.936 1.00 0.00 O ATOM 386 CB LYS R 27 33.632 -1.198 14.598 1.00 0.00 C ATOM 387 CG LYS R 27 34.472 -1.705 15.768 1.00 0.00 C ATOM 388 CD LYS R 27 34.275 -0.770 16.963 1.00 0.00 C ATOM 389 CE LYS R 27 35.235 -1.169 18.083 1.00 0.00 C ATOM 390 NZ LYS R 27 34.555 -1.095 19.407 1.00 0.00 N ATOM 0 H LYS R 27 31.597 -2.572 14.840 1.00 0.00 H new ATOM 0 HA LYS R 27 33.165 -1.956 12.617 1.00 0.00 H new ATOM 0 HB2 LYS R 27 34.164 -0.401 14.079 1.00 0.00 H new ATOM 0 HB3 LYS R 27 32.700 -0.771 14.969 1.00 0.00 H new ATOM 0 HG2 LYS R 27 34.177 -2.721 16.032 1.00 0.00 H new ATOM 0 HG3 LYS R 27 35.525 -1.742 15.488 1.00 0.00 H new ATOM 0 HD2 LYS R 27 34.456 0.263 16.665 1.00 0.00 H new ATOM 0 HD3 LYS R 27 33.245 -0.824 17.315 1.00 0.00 H new ATOM 0 HE2 LYS R 27 35.601 -2.181 17.912 1.00 0.00 H new ATOM 0 HE3 LYS R 27 36.104 -0.511 18.077 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 35.016 -1.750 20.071 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 34.619 -0.125 19.777 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 33.555 -1.359 19.299 1.00 0.00 H new ATOM 404 N ASN R 28 34.397 -4.454 14.152 1.00 0.00 N ATOM 405 CA ASN R 28 35.532 -5.414 14.094 1.00 0.00 C ATOM 406 C ASN R 28 35.557 -6.104 12.729 1.00 0.00 C ATOM 407 O ASN R 28 36.554 -6.076 12.039 1.00 0.00 O ATOM 408 CB ASN R 28 35.372 -6.470 15.196 1.00 0.00 C ATOM 409 CG ASN R 28 35.852 -5.901 16.534 1.00 0.00 C ATOM 410 OD1 ASN R 28 36.234 -6.631 17.428 1.00 0.00 O ATOM 411 ND2 ASN R 28 35.845 -4.609 16.719 1.00 0.00 N ATOM 0 H ASN R 28 33.578 -4.765 14.674 1.00 0.00 H new ATOM 0 HA ASN R 28 36.466 -4.872 14.242 1.00 0.00 H new ATOM 0 HB2 ASN R 28 34.328 -6.773 15.273 1.00 0.00 H new ATOM 0 HB3 ASN R 28 35.945 -7.362 14.943 1.00 0.00 H new ATOM 0 HD21 ASN R 28 36.158 -4.219 17.608 1.00 0.00 H new ATOM 0 HD22 ASN R 28 35.526 -3.989 15.975 1.00 0.00 H new ATOM 418 N ALA R 29 34.459 -6.716 12.365 1.00 0.00 N ATOM 419 CA ALA R 29 34.416 -7.404 11.042 1.00 0.00 C ATOM 420 C ALA R 29 34.910 -6.468 9.964 1.00 0.00 C ATOM 421 O ALA R 29 35.614 -6.876 9.063 1.00 0.00 O ATOM 422 CB ALA R 29 32.967 -7.795 10.733 1.00 0.00 C ATOM 0 H ALA R 29 33.603 -6.769 12.918 1.00 0.00 H new ATOM 0 HA ALA R 29 35.049 -8.291 11.072 1.00 0.00 H new ATOM 0 HB1 ALA R 29 32.924 -8.299 9.767 1.00 0.00 H new ATOM 0 HB2 ALA R 29 32.598 -8.465 11.509 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.347 -6.899 10.702 1.00 0.00 H new ATOM 428 N TYR R 30 34.540 -5.227 10.064 1.00 0.00 N ATOM 429 CA TYR R 30 35.010 -4.287 9.026 1.00 0.00 C ATOM 430 C TYR R 30 36.511 -4.426 8.859 1.00 0.00 C ATOM 431 O TYR R 30 36.957 -4.992 7.857 1.00 0.00 O ATOM 432 CB TYR R 30 34.698 -2.842 9.459 1.00 0.00 C ATOM 433 CG TYR R 30 33.260 -2.492 9.083 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.205 -3.125 9.698 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.997 -1.525 8.134 1.00 0.00 C ATOM 436 CE1 TYR R 30 30.904 -2.797 9.378 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.697 -1.197 7.811 1.00 0.00 C ATOM 438 CZ TYR R 30 30.639 -1.830 8.432 1.00 0.00 C ATOM 439 OH TYR R 30 29.336 -1.502 8.113 1.00 0.00 O ATOM 0 H TYR R 30 33.950 -4.834 10.797 1.00 0.00 H new ATOM 0 HA TYR R 30 34.506 -4.513 8.086 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.839 -2.736 10.535 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.389 -2.150 8.977 1.00 0.00 H new ATOM 0 HD1 TYR R 30 32.397 -3.887 10.439 1.00 0.00 H new ATOM 0 HD2 TYR R 30 33.815 -1.021 7.641 1.00 0.00 H new ATOM 0 HE1 TYR R 30 30.087 -3.302 9.872 1.00 0.00 H new ATOM 0 HE2 TYR R 30 31.505 -0.439 7.066 1.00 0.00 H new ATOM 0 HH TYR R 30 28.763 -1.642 8.895 1.00 0.00 H new ATOM 449 N GLN R 31 37.198 -4.060 9.941 1.00 0.00 N ATOM 450 CA GLN R 31 38.689 -4.093 10.028 1.00 0.00 C ATOM 451 C GLN R 31 39.301 -4.416 8.704 1.00 0.00 C ATOM 452 O GLN R 31 39.909 -3.577 8.069 1.00 0.00 O ATOM 453 CB GLN R 31 39.081 -5.197 11.023 1.00 0.00 C ATOM 454 CG GLN R 31 40.591 -5.473 10.939 1.00 0.00 C ATOM 455 CD GLN R 31 41.357 -4.151 10.913 1.00 0.00 C ATOM 456 OE1 GLN R 31 41.600 -3.581 9.868 1.00 0.00 O ATOM 457 NE2 GLN R 31 41.756 -3.630 12.042 1.00 0.00 N ATOM 0 H GLN R 31 36.750 -3.728 10.795 1.00 0.00 H new ATOM 0 HA GLN R 31 39.047 -3.114 10.347 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.814 -4.896 12.036 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.524 -6.108 10.805 1.00 0.00 H new ATOM 0 HG2 GLN R 31 40.909 -6.072 11.793 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.815 -6.052 10.043 1.00 0.00 H new ATOM 0 HE21 GLN R 31 41.555 -4.105 12.922 1.00 0.00 H new ATOM 0 HE22 GLN R 31 42.269 -2.748 12.044 1.00 0.00 H new ATOM 466 N ASN R 32 39.130 -5.618 8.311 1.00 0.00 N ATOM 467 CA ASN R 32 39.698 -6.004 7.017 1.00 0.00 C ATOM 468 C ASN R 32 38.676 -5.654 5.937 1.00 0.00 C ATOM 469 O ASN R 32 38.613 -4.531 5.474 1.00 0.00 O ATOM 470 CB ASN R 32 39.989 -7.522 7.054 1.00 0.00 C ATOM 471 CG ASN R 32 41.025 -7.868 5.979 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.694 -8.339 4.910 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.289 -7.651 6.224 1.00 0.00 N ATOM 0 H ASN R 32 38.629 -6.347 8.818 1.00 0.00 H new ATOM 0 HA ASN R 32 40.629 -5.480 6.802 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.360 -7.808 8.038 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.071 -8.084 6.884 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.991 -7.877 5.519 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.574 -7.256 7.120 1.00 0.00 H new ATOM 480 N ASP R 33 37.907 -6.616 5.562 1.00 0.00 N ATOM 481 CA ASP R 33 36.879 -6.411 4.535 1.00 0.00 C ATOM 482 C ASP R 33 35.747 -7.376 4.814 1.00 0.00 C ATOM 483 O ASP R 33 35.003 -7.730 3.921 1.00 0.00 O ATOM 484 CB ASP R 33 37.491 -6.765 3.192 1.00 0.00 C ATOM 485 CG ASP R 33 38.527 -5.710 2.796 1.00 0.00 C ATOM 486 OD1 ASP R 33 38.157 -4.548 2.830 1.00 0.00 O ATOM 487 OD2 ASP R 33 39.629 -6.127 2.481 1.00 0.00 O ATOM 0 H ASP R 33 37.951 -7.564 5.937 1.00 0.00 H new ATOM 0 HA ASP R 33 36.517 -5.383 4.536 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.961 -7.747 3.245 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.712 -6.825 2.432 1.00 0.00 H new ATOM 492 N LEU R 34 35.625 -7.788 6.051 1.00 0.00 N ATOM 493 CA LEU R 34 34.536 -8.757 6.353 1.00 0.00 C ATOM 494 C LEU R 34 33.230 -8.106 6.742 1.00 0.00 C ATOM 495 O LEU R 34 32.321 -8.768 7.203 1.00 0.00 O ATOM 496 CB LEU R 34 35.010 -9.672 7.472 1.00 0.00 C ATOM 497 CG LEU R 34 36.192 -10.500 6.937 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.198 -10.720 8.065 1.00 0.00 C ATOM 499 CD2 LEU R 34 35.704 -11.860 6.411 1.00 0.00 C ATOM 0 H LEU R 34 36.210 -7.506 6.837 1.00 0.00 H new ATOM 0 HA LEU R 34 34.330 -9.313 5.438 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.316 -9.087 8.340 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.202 -10.327 7.798 1.00 0.00 H new ATOM 0 HG LEU R 34 36.663 -9.959 6.116 1.00 0.00 H new ATOM 0 HD11 LEU R 34 38.039 -11.306 7.694 1.00 0.00 H new ATOM 0 HD12 LEU R 34 37.558 -9.756 8.424 1.00 0.00 H new ATOM 0 HD13 LEU R 34 36.716 -11.255 8.883 1.00 0.00 H new ATOM 0 HD21 LEU R 34 36.553 -12.431 6.037 1.00 0.00 H new ATOM 0 HD22 LEU R 34 35.223 -12.411 7.219 1.00 0.00 H new ATOM 0 HD23 LEU R 34 34.989 -11.702 5.604 1.00 0.00 H new ATOM 511 N HIS R 35 33.146 -6.834 6.574 1.00 0.00 N ATOM 512 CA HIS R 35 31.871 -6.174 6.941 1.00 0.00 C ATOM 513 C HIS R 35 30.700 -6.792 6.180 1.00 0.00 C ATOM 514 O HIS R 35 29.776 -7.305 6.767 1.00 0.00 O ATOM 515 CB HIS R 35 31.922 -4.692 6.545 1.00 0.00 C ATOM 516 CG HIS R 35 32.537 -4.541 5.148 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.776 -4.592 4.886 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.926 -4.277 3.936 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.983 -4.377 3.640 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.857 -4.174 2.975 1.00 0.00 N ATOM 0 H HIS R 35 33.880 -6.228 6.208 1.00 0.00 H new ATOM 0 HA HIS R 35 31.735 -6.298 8.015 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.917 -4.270 6.556 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.511 -4.133 7.272 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.862 -4.170 3.786 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.963 -4.363 3.185 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.729 -3.986 1.981 1.00 0.00 H new ATOM 528 N LEU R 36 30.814 -6.773 4.879 1.00 0.00 N ATOM 529 CA LEU R 36 29.732 -7.337 3.999 1.00 0.00 C ATOM 530 C LEU R 36 28.951 -8.534 4.580 1.00 0.00 C ATOM 531 O LEU R 36 27.766 -8.418 4.822 1.00 0.00 O ATOM 532 CB LEU R 36 30.326 -7.735 2.640 1.00 0.00 C ATOM 533 CG LEU R 36 29.945 -6.678 1.598 1.00 0.00 C ATOM 534 CD1 LEU R 36 30.690 -6.967 0.293 1.00 0.00 C ATOM 535 CD2 LEU R 36 28.436 -6.742 1.330 1.00 0.00 C ATOM 0 H LEU R 36 31.615 -6.389 4.378 1.00 0.00 H new ATOM 0 HA LEU R 36 29.002 -6.533 3.906 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.410 -7.817 2.713 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.952 -8.713 2.338 1.00 0.00 H new ATOM 0 HG LEU R 36 30.212 -5.689 1.971 1.00 0.00 H new ATOM 0 HD11 LEU R 36 30.423 -6.218 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU R 36 31.765 -6.933 0.472 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.414 -7.956 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU R 36 28.166 -5.990 0.589 1.00 0.00 H new ATOM 0 HD22 LEU R 36 28.175 -7.731 0.955 1.00 0.00 H new ATOM 0 HD23 LEU R 36 27.894 -6.550 2.256 1.00 0.00 H new ATOM 547 N PRO R 37 29.598 -9.659 4.797 1.00 0.00 N ATOM 548 CA PRO R 37 28.902 -10.838 5.343 1.00 0.00 C ATOM 549 C PRO R 37 28.009 -10.508 6.548 1.00 0.00 C ATOM 550 O PRO R 37 26.808 -10.412 6.401 1.00 0.00 O ATOM 551 CB PRO R 37 30.024 -11.812 5.737 1.00 0.00 C ATOM 552 CG PRO R 37 31.373 -11.137 5.370 1.00 0.00 C ATOM 553 CD PRO R 37 31.049 -9.845 4.602 1.00 0.00 C ATOM 0 HA PRO R 37 28.219 -11.258 4.605 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.983 -12.034 6.803 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.913 -12.760 5.210 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.948 -10.915 6.269 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.982 -11.804 4.759 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.614 -8.998 4.991 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.300 -9.937 3.545 1.00 0.00 H new ATOM 561 N LEU R 38 28.581 -10.342 7.714 1.00 0.00 N ATOM 562 CA LEU R 38 27.711 -10.023 8.877 1.00 0.00 C ATOM 563 C LEU R 38 26.941 -8.740 8.610 1.00 0.00 C ATOM 564 O LEU R 38 25.773 -8.645 8.929 1.00 0.00 O ATOM 565 CB LEU R 38 28.579 -9.925 10.152 1.00 0.00 C ATOM 566 CG LEU R 38 28.677 -8.486 10.684 1.00 0.00 C ATOM 567 CD1 LEU R 38 27.325 -8.019 11.253 1.00 0.00 C ATOM 568 CD2 LEU R 38 29.702 -8.465 11.811 1.00 0.00 C ATOM 0 H LEU R 38 29.581 -10.411 7.905 1.00 0.00 H new ATOM 0 HA LEU R 38 26.979 -10.816 9.029 1.00 0.00 H new ATOM 0 HB2 LEU R 38 28.158 -10.568 10.925 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.580 -10.299 9.937 1.00 0.00 H new ATOM 0 HG LEU R 38 28.965 -7.824 9.867 1.00 0.00 H new ATOM 0 HD11 LEU R 38 27.419 -6.998 11.623 1.00 0.00 H new ATOM 0 HD12 LEU R 38 26.569 -8.052 10.468 1.00 0.00 H new ATOM 0 HD13 LEU R 38 27.028 -8.676 12.071 1.00 0.00 H new ATOM 0 HD21 LEU R 38 29.789 -7.452 12.205 1.00 0.00 H new ATOM 0 HD22 LEU R 38 29.382 -9.138 12.607 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.670 -8.790 11.429 1.00 0.00 H new ATOM 580 N LEU R 39 27.605 -7.771 8.044 1.00 0.00 N ATOM 581 CA LEU R 39 26.887 -6.490 7.760 1.00 0.00 C ATOM 582 C LEU R 39 25.560 -6.814 7.085 1.00 0.00 C ATOM 583 O LEU R 39 24.580 -6.118 7.253 1.00 0.00 O ATOM 584 CB LEU R 39 27.731 -5.633 6.790 1.00 0.00 C ATOM 585 CG LEU R 39 26.949 -4.386 6.342 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.602 -3.520 7.553 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.819 -3.573 5.379 1.00 0.00 C ATOM 0 H LEU R 39 28.587 -7.803 7.771 1.00 0.00 H new ATOM 0 HA LEU R 39 26.723 -5.947 8.691 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.658 -5.331 7.277 1.00 0.00 H new ATOM 0 HB3 LEU R 39 28.007 -6.227 5.919 1.00 0.00 H new ATOM 0 HG LEU R 39 26.028 -4.697 5.849 1.00 0.00 H new ATOM 0 HD11 LEU R 39 26.049 -2.640 7.225 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.990 -4.095 8.248 1.00 0.00 H new ATOM 0 HD13 LEU R 39 27.519 -3.207 8.051 1.00 0.00 H new ATOM 0 HD21 LEU R 39 27.273 -2.687 5.056 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.736 -3.270 5.884 1.00 0.00 H new ATOM 0 HD23 LEU R 39 28.068 -4.183 4.510 1.00 0.00 H new ATOM 599 N ASN R 40 25.571 -7.874 6.328 1.00 0.00 N ATOM 600 CA ASN R 40 24.338 -8.286 5.616 1.00 0.00 C ATOM 601 C ASN R 40 23.459 -9.214 6.466 1.00 0.00 C ATOM 602 O ASN R 40 22.255 -9.247 6.294 1.00 0.00 O ATOM 603 CB ASN R 40 24.765 -9.037 4.348 1.00 0.00 C ATOM 604 CG ASN R 40 23.556 -9.214 3.428 1.00 0.00 C ATOM 605 OD1 ASN R 40 22.749 -10.102 3.613 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.399 -8.395 2.422 1.00 0.00 N ATOM 0 H ASN R 40 26.383 -8.472 6.173 1.00 0.00 H new ATOM 0 HA ASN R 40 23.752 -7.396 5.389 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.550 -8.484 3.832 1.00 0.00 H new ATOM 0 HB3 ASN R 40 25.181 -10.010 4.611 1.00 0.00 H new ATOM 0 HD21 ASN R 40 22.601 -8.503 1.796 1.00 0.00 H new ATOM 0 HD22 ASN R 40 24.074 -7.647 2.263 1.00 0.00 H new ATOM 613 N LEU R 41 24.062 -9.951 7.363 1.00 0.00 N ATOM 614 CA LEU R 41 23.247 -10.871 8.211 1.00 0.00 C ATOM 615 C LEU R 41 21.997 -10.166 8.738 1.00 0.00 C ATOM 616 O LEU R 41 20.895 -10.655 8.571 1.00 0.00 O ATOM 617 CB LEU R 41 24.100 -11.344 9.407 1.00 0.00 C ATOM 618 CG LEU R 41 23.255 -12.229 10.339 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.655 -13.393 9.547 1.00 0.00 C ATOM 620 CD2 LEU R 41 24.156 -12.794 11.441 1.00 0.00 C ATOM 0 H LEU R 41 25.066 -9.957 7.543 1.00 0.00 H new ATOM 0 HA LEU R 41 22.937 -11.721 7.603 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.966 -11.901 9.049 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.480 -10.483 9.956 1.00 0.00 H new ATOM 0 HG LEU R 41 22.453 -11.633 10.774 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.058 -14.016 10.212 1.00 0.00 H new ATOM 0 HD12 LEU R 41 22.022 -13.003 8.750 1.00 0.00 H new ATOM 0 HD13 LEU R 41 23.457 -13.990 9.114 1.00 0.00 H new ATOM 0 HD21 LEU R 41 23.565 -13.423 12.107 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.952 -13.388 10.992 1.00 0.00 H new ATOM 0 HD23 LEU R 41 24.593 -11.973 12.010 1.00 0.00 H new ATOM 632 N MET R 42 22.185 -9.031 9.358 1.00 0.00 N ATOM 633 CA MET R 42 21.012 -8.293 9.900 1.00 0.00 C ATOM 634 C MET R 42 20.502 -7.234 8.921 1.00 0.00 C ATOM 635 O MET R 42 20.316 -6.089 9.286 1.00 0.00 O ATOM 636 CB MET R 42 21.433 -7.608 11.207 1.00 0.00 C ATOM 637 CG MET R 42 22.597 -6.648 10.942 1.00 0.00 C ATOM 638 SD MET R 42 22.346 -4.907 11.378 1.00 0.00 S ATOM 639 CE MET R 42 24.058 -4.354 11.176 1.00 0.00 C ATOM 0 H MET R 42 23.091 -8.588 9.510 1.00 0.00 H new ATOM 0 HA MET R 42 20.204 -9.005 10.069 1.00 0.00 H new ATOM 0 HB2 MET R 42 20.589 -7.062 11.630 1.00 0.00 H new ATOM 0 HB3 MET R 42 21.728 -8.357 11.942 1.00 0.00 H new ATOM 0 HG2 MET R 42 23.467 -7.012 11.489 1.00 0.00 H new ATOM 0 HG3 MET R 42 22.843 -6.699 9.881 1.00 0.00 H new ATOM 0 HE1 MET R 42 24.119 -3.282 11.366 1.00 0.00 H new ATOM 0 HE2 MET R 42 24.697 -4.885 11.881 1.00 0.00 H new ATOM 0 HE3 MET R 42 24.390 -4.562 10.159 1.00 0.00 H new ATOM 649 N LEU R 43 20.285 -7.635 7.696 1.00 0.00 N ATOM 650 CA LEU R 43 19.788 -6.663 6.685 1.00 0.00 C ATOM 651 C LEU R 43 18.451 -6.066 7.131 1.00 0.00 C ATOM 652 O LEU R 43 18.405 -4.964 7.637 1.00 0.00 O ATOM 653 CB LEU R 43 19.594 -7.412 5.354 1.00 0.00 C ATOM 654 CG LEU R 43 20.609 -6.894 4.335 1.00 0.00 C ATOM 655 CD1 LEU R 43 20.552 -7.761 3.076 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.266 -5.452 3.961 1.00 0.00 C ATOM 0 H LEU R 43 20.430 -8.586 7.356 1.00 0.00 H new ATOM 0 HA LEU R 43 20.508 -5.852 6.570 1.00 0.00 H new ATOM 0 HB2 LEU R 43 19.725 -8.484 5.503 1.00 0.00 H new ATOM 0 HB3 LEU R 43 18.580 -7.263 4.983 1.00 0.00 H new ATOM 0 HG LEU R 43 21.608 -6.935 4.768 1.00 0.00 H new ATOM 0 HD11 LEU R 43 21.275 -7.393 2.348 1.00 0.00 H new ATOM 0 HD12 LEU R 43 20.790 -8.793 3.334 1.00 0.00 H new ATOM 0 HD13 LEU R 43 19.551 -7.715 2.648 1.00 0.00 H new ATOM 0 HD21 LEU R 43 20.990 -5.083 3.234 1.00 0.00 H new ATOM 0 HD22 LEU R 43 19.266 -5.416 3.528 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.297 -4.827 4.854 1.00 0.00 H new ATOM 668 N THR R 44 17.396 -6.820 6.958 1.00 0.00 N ATOM 669 CA THR R 44 16.047 -6.321 7.361 1.00 0.00 C ATOM 670 C THR R 44 15.734 -4.984 6.660 1.00 0.00 C ATOM 671 O THR R 44 16.638 -4.256 6.307 1.00 0.00 O ATOM 672 CB THR R 44 16.044 -6.093 8.885 1.00 0.00 C ATOM 673 OG1 THR R 44 16.553 -4.785 9.070 1.00 0.00 O ATOM 674 CG2 THR R 44 17.058 -7.001 9.595 1.00 0.00 C ATOM 0 H THR R 44 17.410 -7.757 6.556 1.00 0.00 H new ATOM 0 HA THR R 44 15.294 -7.056 7.076 1.00 0.00 H new ATOM 0 HB THR R 44 15.042 -6.274 9.273 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.477 -4.745 8.745 1.00 0.00 H new ATOM 0 HG21 THR R 44 17.027 -6.812 10.668 1.00 0.00 H new ATOM 0 HG22 THR R 44 16.809 -8.045 9.403 1.00 0.00 H new ATOM 0 HG23 THR R 44 18.059 -6.792 9.218 1.00 0.00 H new ATOM 682 N PRO R 45 14.462 -4.675 6.444 1.00 0.00 N ATOM 683 CA PRO R 45 14.095 -3.410 5.780 1.00 0.00 C ATOM 684 C PRO R 45 14.574 -2.203 6.590 1.00 0.00 C ATOM 685 O PRO R 45 14.863 -1.155 6.045 1.00 0.00 O ATOM 686 CB PRO R 45 12.555 -3.419 5.733 1.00 0.00 C ATOM 687 CG PRO R 45 12.068 -4.708 6.438 1.00 0.00 C ATOM 688 CD PRO R 45 13.309 -5.533 6.810 1.00 0.00 C ATOM 0 HA PRO R 45 14.550 -3.332 4.793 1.00 0.00 H new ATOM 0 HB2 PRO R 45 12.152 -2.536 6.230 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.204 -3.392 4.701 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.491 -4.462 7.329 1.00 0.00 H new ATOM 0 HG3 PRO R 45 11.412 -5.279 5.781 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.318 -5.775 7.873 1.00 0.00 H new ATOM 0 HD3 PRO R 45 13.332 -6.478 6.268 1.00 0.00 H new ATOM 696 N ASP R 46 14.649 -2.381 7.882 1.00 0.00 N ATOM 697 CA ASP R 46 15.103 -1.266 8.757 1.00 0.00 C ATOM 698 C ASP R 46 16.443 -0.698 8.291 1.00 0.00 C ATOM 699 O ASP R 46 16.609 0.500 8.189 1.00 0.00 O ATOM 700 CB ASP R 46 15.281 -1.811 10.179 1.00 0.00 C ATOM 701 CG ASP R 46 16.055 -0.791 11.017 1.00 0.00 C ATOM 702 OD1 ASP R 46 15.748 0.380 10.864 1.00 0.00 O ATOM 703 OD2 ASP R 46 16.911 -1.239 11.763 1.00 0.00 O ATOM 0 H ASP R 46 14.416 -3.248 8.366 1.00 0.00 H new ATOM 0 HA ASP R 46 14.358 -0.472 8.720 1.00 0.00 H new ATOM 0 HB2 ASP R 46 14.308 -2.007 10.630 1.00 0.00 H new ATOM 0 HB3 ASP R 46 15.817 -2.760 10.153 1.00 0.00 H new ATOM 708 N GLU R 47 17.379 -1.569 8.023 1.00 0.00 N ATOM 709 CA GLU R 47 18.710 -1.086 7.568 1.00 0.00 C ATOM 710 C GLU R 47 18.652 -0.575 6.129 1.00 0.00 C ATOM 711 O GLU R 47 19.159 0.485 5.828 1.00 0.00 O ATOM 712 CB GLU R 47 19.706 -2.252 7.635 1.00 0.00 C ATOM 713 CG GLU R 47 19.683 -2.848 9.044 1.00 0.00 C ATOM 714 CD GLU R 47 20.171 -1.793 10.037 1.00 0.00 C ATOM 715 OE1 GLU R 47 20.893 -0.919 9.586 1.00 0.00 O ATOM 716 OE2 GLU R 47 19.792 -1.917 11.190 1.00 0.00 O ATOM 0 H GLU R 47 17.280 -2.581 8.099 1.00 0.00 H new ATOM 0 HA GLU R 47 19.021 -0.266 8.215 1.00 0.00 H new ATOM 0 HB2 GLU R 47 19.444 -3.013 6.900 1.00 0.00 H new ATOM 0 HB3 GLU R 47 20.710 -1.904 7.390 1.00 0.00 H new ATOM 0 HG2 GLU R 47 18.673 -3.169 9.301 1.00 0.00 H new ATOM 0 HG3 GLU R 47 20.320 -3.732 9.090 1.00 0.00 H new ATOM 723 N ARG R 48 18.042 -1.339 5.266 1.00 0.00 N ATOM 724 CA ARG R 48 17.950 -0.898 3.849 1.00 0.00 C ATOM 725 C ARG R 48 17.441 0.540 3.757 1.00 0.00 C ATOM 726 O ARG R 48 17.694 1.227 2.786 1.00 0.00 O ATOM 727 CB ARG R 48 16.971 -1.823 3.115 1.00 0.00 C ATOM 728 CG ARG R 48 16.638 -1.222 1.747 1.00 0.00 C ATOM 729 CD ARG R 48 16.215 -2.341 0.794 1.00 0.00 C ATOM 730 NE ARG R 48 15.196 -1.809 -0.154 1.00 0.00 N ATOM 731 CZ ARG R 48 14.962 -2.441 -1.275 1.00 0.00 C ATOM 732 NH1 ARG R 48 15.645 -3.519 -1.552 1.00 0.00 N ATOM 733 NH2 ARG R 48 14.054 -1.966 -2.083 1.00 0.00 N ATOM 0 H ARG R 48 17.609 -2.238 5.478 1.00 0.00 H new ATOM 0 HA ARG R 48 18.941 -0.943 3.398 1.00 0.00 H new ATOM 0 HB2 ARG R 48 17.410 -2.813 2.993 1.00 0.00 H new ATOM 0 HB3 ARG R 48 16.061 -1.948 3.702 1.00 0.00 H new ATOM 0 HG2 ARG R 48 15.837 -0.489 1.844 1.00 0.00 H new ATOM 0 HG3 ARG R 48 17.505 -0.696 1.347 1.00 0.00 H new ATOM 0 HD2 ARG R 48 17.079 -2.716 0.246 1.00 0.00 H new ATOM 0 HD3 ARG R 48 15.805 -3.180 1.356 1.00 0.00 H new ATOM 0 HE ARG R 48 14.683 -0.956 0.070 1.00 0.00 H new ATOM 0 HH11 ARG R 48 16.350 -3.858 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG R 48 15.473 -4.022 -2.423 1.00 0.00 H new ATOM 0 HH21 ARG R 48 13.544 -1.118 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG R 48 13.855 -2.442 -2.963 1.00 0.00 H new ATOM 747 N GLU R 49 16.728 0.964 4.768 1.00 0.00 N ATOM 748 CA GLU R 49 16.193 2.354 4.762 1.00 0.00 C ATOM 749 C GLU R 49 17.059 3.279 5.616 1.00 0.00 C ATOM 750 O GLU R 49 17.441 4.348 5.184 1.00 0.00 O ATOM 751 CB GLU R 49 14.776 2.328 5.348 1.00 0.00 C ATOM 752 CG GLU R 49 14.211 3.749 5.357 1.00 0.00 C ATOM 753 CD GLU R 49 12.695 3.692 5.156 1.00 0.00 C ATOM 754 OE1 GLU R 49 12.038 3.284 6.100 1.00 0.00 O ATOM 755 OE2 GLU R 49 12.277 4.060 4.069 1.00 0.00 O ATOM 0 H GLU R 49 16.495 0.410 5.592 1.00 0.00 H new ATOM 0 HA GLU R 49 16.191 2.728 3.738 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.137 1.673 4.756 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.795 1.925 6.360 1.00 0.00 H new ATOM 0 HG2 GLU R 49 14.446 4.240 6.301 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.672 4.341 4.566 1.00 0.00 H new ATOM 762 N ALA R 50 17.348 2.851 6.816 1.00 0.00 N ATOM 763 CA ALA R 50 18.185 3.692 7.715 1.00 0.00 C ATOM 764 C ALA R 50 19.580 3.907 7.130 1.00 0.00 C ATOM 765 O ALA R 50 20.236 4.883 7.433 1.00 0.00 O ATOM 766 CB ALA R 50 18.331 2.969 9.060 1.00 0.00 C ATOM 0 H ALA R 50 17.042 1.961 7.209 1.00 0.00 H new ATOM 0 HA ALA R 50 17.702 4.662 7.834 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.942 3.571 9.732 1.00 0.00 H new ATOM 0 HB2 ALA R 50 17.346 2.819 9.501 1.00 0.00 H new ATOM 0 HB3 ALA R 50 18.809 2.002 8.903 1.00 0.00 H new ATOM 772 N LEU R 51 20.006 2.990 6.307 1.00 0.00 N ATOM 773 CA LEU R 51 21.353 3.125 5.695 1.00 0.00 C ATOM 774 C LEU R 51 21.387 4.320 4.753 1.00 0.00 C ATOM 775 O LEU R 51 21.984 5.334 5.055 1.00 0.00 O ATOM 776 CB LEU R 51 21.636 1.842 4.891 1.00 0.00 C ATOM 777 CG LEU R 51 23.096 1.779 4.384 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.356 2.820 3.293 1.00 0.00 C ATOM 779 CD2 LEU R 51 24.084 1.939 5.536 1.00 0.00 C ATOM 0 H LEU R 51 19.482 2.158 6.034 1.00 0.00 H new ATOM 0 HA LEU R 51 22.101 3.273 6.474 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.432 0.972 5.515 1.00 0.00 H new ATOM 0 HB3 LEU R 51 20.956 1.791 4.041 1.00 0.00 H new ATOM 0 HG LEU R 51 23.247 0.794 3.943 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.391 2.747 2.960 1.00 0.00 H new ATOM 0 HD12 LEU R 51 22.690 2.637 2.450 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.172 3.818 3.691 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.103 1.891 5.151 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.925 2.902 6.021 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.931 1.139 6.260 1.00 0.00 H new ATOM 791 N GLY R 52 20.746 4.172 3.628 1.00 0.00 N ATOM 792 CA GLY R 52 20.730 5.288 2.652 1.00 0.00 C ATOM 793 C GLY R 52 20.446 6.607 3.374 1.00 0.00 C ATOM 794 O GLY R 52 21.001 7.638 3.041 1.00 0.00 O ATOM 0 H GLY R 52 20.238 3.334 3.347 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.688 5.345 2.136 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.969 5.108 1.893 1.00 0.00 H new ATOM 798 N THR R 53 19.595 6.546 4.363 1.00 0.00 N ATOM 799 CA THR R 53 19.265 7.781 5.116 1.00 0.00 C ATOM 800 C THR R 53 20.430 8.189 6.010 1.00 0.00 C ATOM 801 O THR R 53 20.731 9.360 6.144 1.00 0.00 O ATOM 802 CB THR R 53 18.049 7.512 6.003 1.00 0.00 C ATOM 803 OG1 THR R 53 16.978 7.267 5.110 1.00 0.00 O ATOM 804 CG2 THR R 53 17.644 8.785 6.759 1.00 0.00 C ATOM 0 H THR R 53 19.120 5.700 4.677 1.00 0.00 H new ATOM 0 HA THR R 53 19.058 8.580 4.405 1.00 0.00 H new ATOM 0 HB THR R 53 18.268 6.704 6.701 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.912 6.305 4.934 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.777 8.576 7.386 1.00 0.00 H new ATOM 0 HG22 THR R 53 18.473 9.116 7.385 1.00 0.00 H new ATOM 0 HG23 THR R 53 17.394 9.569 6.044 1.00 0.00 H new ATOM 812 N ARG R 54 21.064 7.221 6.611 1.00 0.00 N ATOM 813 CA ARG R 54 22.205 7.556 7.493 1.00 0.00 C ATOM 814 C ARG R 54 23.266 8.299 6.695 1.00 0.00 C ATOM 815 O ARG R 54 24.057 9.043 7.240 1.00 0.00 O ATOM 816 CB ARG R 54 22.812 6.261 8.043 1.00 0.00 C ATOM 817 CG ARG R 54 24.047 6.615 8.873 1.00 0.00 C ATOM 818 CD ARG R 54 24.293 5.521 9.912 1.00 0.00 C ATOM 819 NE ARG R 54 23.892 4.206 9.337 1.00 0.00 N ATOM 820 CZ ARG R 54 24.787 3.469 8.740 1.00 0.00 C ATOM 821 NH1 ARG R 54 25.644 4.041 7.940 1.00 0.00 N ATOM 822 NH2 ARG R 54 24.793 2.181 8.963 1.00 0.00 N ATOM 0 H ARG R 54 20.843 6.229 6.529 1.00 0.00 H new ATOM 0 HA ARG R 54 21.857 8.184 8.313 1.00 0.00 H new ATOM 0 HB2 ARG R 54 22.083 5.732 8.657 1.00 0.00 H new ATOM 0 HB3 ARG R 54 23.084 5.594 7.225 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.917 6.718 8.224 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.903 7.576 9.368 1.00 0.00 H new ATOM 0 HD2 ARG R 54 25.345 5.502 10.197 1.00 0.00 H new ATOM 0 HD3 ARG R 54 23.721 5.726 10.817 1.00 0.00 H new ATOM 0 HE ARG R 54 22.926 3.885 9.410 1.00 0.00 H new ATOM 0 HH11 ARG R 54 25.607 5.049 7.790 1.00 0.00 H new ATOM 0 HH12 ARG R 54 26.351 3.480 7.465 1.00 0.00 H new ATOM 0 HH21 ARG R 54 24.106 1.770 9.594 1.00 0.00 H new ATOM 0 HH22 ARG R 54 25.485 1.587 8.506 1.00 0.00 H new ATOM 836 N VAL R 55 23.263 8.068 5.411 1.00 0.00 N ATOM 837 CA VAL R 55 24.255 8.747 4.545 1.00 0.00 C ATOM 838 C VAL R 55 23.708 10.105 4.114 1.00 0.00 C ATOM 839 O VAL R 55 24.453 11.017 3.818 1.00 0.00 O ATOM 840 CB VAL R 55 24.488 7.874 3.305 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.584 8.498 2.437 1.00 0.00 C ATOM 842 CG2 VAL R 55 24.937 6.481 3.754 1.00 0.00 C ATOM 0 H VAL R 55 22.618 7.441 4.930 1.00 0.00 H new ATOM 0 HA VAL R 55 25.190 8.894 5.085 1.00 0.00 H new ATOM 0 HB VAL R 55 23.565 7.802 2.730 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.749 7.877 1.557 1.00 0.00 H new ATOM 0 HG12 VAL R 55 25.277 9.496 2.125 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.508 8.566 3.011 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.105 5.853 2.879 1.00 0.00 H new ATOM 0 HG22 VAL R 55 25.862 6.563 4.325 1.00 0.00 H new ATOM 0 HG23 VAL R 55 24.164 6.033 4.379 1.00 0.00 H new ATOM 852 N ARG R 56 22.402 10.208 4.089 1.00 0.00 N ATOM 853 CA ARG R 56 21.773 11.494 3.684 1.00 0.00 C ATOM 854 C ARG R 56 22.109 12.601 4.685 1.00 0.00 C ATOM 855 O ARG R 56 22.658 13.623 4.321 1.00 0.00 O ATOM 856 CB ARG R 56 20.251 11.299 3.660 1.00 0.00 C ATOM 857 CG ARG R 56 19.604 12.437 2.866 1.00 0.00 C ATOM 858 CD ARG R 56 19.123 11.899 1.518 1.00 0.00 C ATOM 859 NE ARG R 56 20.248 11.181 0.852 1.00 0.00 N ATOM 860 CZ ARG R 56 19.998 10.386 -0.154 1.00 0.00 C ATOM 861 NH1 ARG R 56 18.759 10.194 -0.515 1.00 0.00 N ATOM 862 NH2 ARG R 56 20.998 9.815 -0.767 1.00 0.00 N ATOM 0 H ARG R 56 21.752 9.460 4.330 1.00 0.00 H new ATOM 0 HA ARG R 56 22.149 11.783 2.703 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.004 10.339 3.207 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.860 11.282 4.677 1.00 0.00 H new ATOM 0 HG2 ARG R 56 18.766 12.855 3.424 1.00 0.00 H new ATOM 0 HG3 ARG R 56 20.321 13.244 2.714 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.279 11.225 1.661 1.00 0.00 H new ATOM 0 HD3 ARG R 56 18.774 12.718 0.889 1.00 0.00 H new ATOM 0 HE ARG R 56 21.205 11.310 1.180 1.00 0.00 H new ATOM 0 HH11 ARG R 56 18.004 10.661 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG R 56 18.546 9.576 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG R 56 21.954 9.993 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG R 56 20.824 9.191 -1.555 1.00 0.00 H new ATOM 876 N ILE R 57 21.776 12.378 5.932 1.00 0.00 N ATOM 877 CA ILE R 57 22.067 13.400 6.960 1.00 0.00 C ATOM 878 C ILE R 57 23.515 13.863 6.868 1.00 0.00 C ATOM 879 O ILE R 57 23.789 14.950 6.408 1.00 0.00 O ATOM 880 CB ILE R 57 21.837 12.777 8.330 1.00 0.00 C ATOM 881 CG1 ILE R 57 22.109 11.274 8.298 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.375 12.998 8.715 1.00 0.00 C ATOM 883 CD1 ILE R 57 22.598 10.839 9.681 1.00 0.00 C ATOM 0 H ILE R 57 21.317 11.533 6.273 1.00 0.00 H new ATOM 0 HA ILE R 57 21.416 14.260 6.804 1.00 0.00 H new ATOM 0 HB ILE R 57 22.512 13.240 9.050 1.00 0.00 H new ATOM 0 HG12 ILE R 57 21.203 10.731 8.029 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.858 11.041 7.541 1.00 0.00 H new ATOM 0 HG21 ILE R 57 20.186 12.559 9.695 1.00 0.00 H new ATOM 0 HG22 ILE R 57 20.166 14.067 8.750 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.729 12.526 7.975 1.00 0.00 H new ATOM 0 HD11 ILE R 57 22.797 9.767 9.676 1.00 0.00 H new ATOM 0 HD12 ILE R 57 23.513 11.377 9.929 1.00 0.00 H new ATOM 0 HD13 ILE R 57 21.833 11.062 10.424 1.00 0.00 H new ATOM 895 N VAL R 58 24.402 13.032 7.346 1.00 0.00 N ATOM 896 CA VAL R 58 25.851 13.373 7.307 1.00 0.00 C ATOM 897 C VAL R 58 26.187 14.164 6.046 1.00 0.00 C ATOM 898 O VAL R 58 26.655 15.284 6.116 1.00 0.00 O ATOM 899 CB VAL R 58 26.641 12.063 7.265 1.00 0.00 C ATOM 900 CG1 VAL R 58 28.101 12.372 6.939 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.552 11.370 8.625 1.00 0.00 C ATOM 0 H VAL R 58 24.183 12.128 7.764 1.00 0.00 H new ATOM 0 HA VAL R 58 26.101 13.972 8.182 1.00 0.00 H new ATOM 0 HB VAL R 58 26.227 11.406 6.501 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.671 11.444 6.907 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.160 12.868 5.970 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.515 13.026 7.707 1.00 0.00 H new ATOM 0 HG21 VAL R 58 27.115 10.437 8.595 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.969 12.021 9.393 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.509 11.157 8.857 1.00 0.00 H new ATOM 911 N GLU R 59 25.942 13.557 4.919 1.00 0.00 N ATOM 912 CA GLU R 59 26.233 14.242 3.636 1.00 0.00 C ATOM 913 C GLU R 59 25.752 15.690 3.676 1.00 0.00 C ATOM 914 O GLU R 59 26.412 16.582 3.179 1.00 0.00 O ATOM 915 CB GLU R 59 25.484 13.497 2.520 1.00 0.00 C ATOM 916 CG GLU R 59 25.536 14.314 1.224 1.00 0.00 C ATOM 917 CD GLU R 59 25.060 13.445 0.057 1.00 0.00 C ATOM 918 OE1 GLU R 59 24.841 12.271 0.307 1.00 0.00 O ATOM 919 OE2 GLU R 59 24.939 14.007 -1.020 1.00 0.00 O ATOM 0 H GLU R 59 25.553 12.618 4.834 1.00 0.00 H new ATOM 0 HA GLU R 59 27.308 14.240 3.458 1.00 0.00 H new ATOM 0 HB2 GLU R 59 25.932 12.516 2.361 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.448 13.330 2.814 1.00 0.00 H new ATOM 0 HG2 GLU R 59 24.906 15.199 1.313 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.552 14.663 1.041 1.00 0.00 H new ATOM 926 N GLU R 60 24.609 15.893 4.270 1.00 0.00 N ATOM 927 CA GLU R 60 24.061 17.273 4.354 1.00 0.00 C ATOM 928 C GLU R 60 24.778 18.080 5.434 1.00 0.00 C ATOM 929 O GLU R 60 25.197 19.197 5.201 1.00 0.00 O ATOM 930 CB GLU R 60 22.572 17.184 4.716 1.00 0.00 C ATOM 931 CG GLU R 60 21.729 17.543 3.489 1.00 0.00 C ATOM 932 CD GLU R 60 20.250 17.564 3.882 1.00 0.00 C ATOM 933 OE1 GLU R 60 19.980 18.100 4.945 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.473 17.043 3.098 1.00 0.00 O ATOM 0 H GLU R 60 24.034 15.167 4.698 1.00 0.00 H new ATOM 0 HA GLU R 60 24.204 17.768 3.394 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.329 16.178 5.057 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.345 17.862 5.538 1.00 0.00 H new ATOM 0 HG2 GLU R 60 22.028 18.516 3.100 1.00 0.00 H new ATOM 0 HG3 GLU R 60 21.896 16.817 2.693 1.00 0.00 H new ATOM 941 N LEU R 61 24.906 17.503 6.598 1.00 0.00 N ATOM 942 CA LEU R 61 25.592 18.233 7.696 1.00 0.00 C ATOM 943 C LEU R 61 26.911 18.825 7.205 1.00 0.00 C ATOM 944 O LEU R 61 27.425 19.761 7.786 1.00 0.00 O ATOM 945 CB LEU R 61 25.884 17.246 8.836 1.00 0.00 C ATOM 946 CG LEU R 61 24.660 17.148 9.756 1.00 0.00 C ATOM 947 CD1 LEU R 61 24.653 15.780 10.443 1.00 0.00 C ATOM 948 CD2 LEU R 61 24.738 18.240 10.827 1.00 0.00 C ATOM 0 H LEU R 61 24.569 16.569 6.832 1.00 0.00 H new ATOM 0 HA LEU R 61 24.949 19.043 8.041 1.00 0.00 H new ATOM 0 HB2 LEU R 61 26.125 16.264 8.428 1.00 0.00 H new ATOM 0 HB3 LEU R 61 26.753 17.577 9.404 1.00 0.00 H new ATOM 0 HG LEU R 61 23.752 17.274 9.166 1.00 0.00 H new ATOM 0 HD11 LEU R 61 23.785 15.706 11.098 1.00 0.00 H new ATOM 0 HD12 LEU R 61 24.607 14.994 9.689 1.00 0.00 H new ATOM 0 HD13 LEU R 61 25.563 15.664 11.032 1.00 0.00 H new ATOM 0 HD21 LEU R 61 23.869 18.171 11.481 1.00 0.00 H new ATOM 0 HD22 LEU R 61 25.646 18.108 11.415 1.00 0.00 H new ATOM 0 HD23 LEU R 61 24.755 19.219 10.348 1.00 0.00 H new ATOM 1426 N PRO R 93 25.070 17.302 20.550 1.00 0.00 N ATOM 1427 CA PRO R 93 25.212 17.411 19.082 1.00 0.00 C ATOM 1428 C PRO R 93 26.572 17.973 18.659 1.00 0.00 C ATOM 1429 O PRO R 93 27.177 17.484 17.723 1.00 0.00 O ATOM 1430 CB PRO R 93 24.093 18.375 18.652 1.00 0.00 C ATOM 1431 CG PRO R 93 23.274 18.737 19.917 1.00 0.00 C ATOM 1432 CD PRO R 93 24.032 18.181 21.128 1.00 0.00 C ATOM 0 HA PRO R 93 25.143 16.428 18.615 1.00 0.00 H new ATOM 0 HB2 PRO R 93 24.514 19.272 18.199 1.00 0.00 H new ATOM 0 HB3 PRO R 93 23.454 17.909 17.902 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.155 19.817 20.001 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.273 18.310 19.861 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.476 18.982 21.719 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.368 17.626 21.791 1.00 0.00 H new ATOM 1440 N VAL R 94 27.031 18.983 19.343 1.00 0.00 N ATOM 1441 CA VAL R 94 28.346 19.571 18.973 1.00 0.00 C ATOM 1442 C VAL R 94 29.459 18.529 19.032 1.00 0.00 C ATOM 1443 O VAL R 94 30.575 18.793 18.634 1.00 0.00 O ATOM 1444 CB VAL R 94 28.677 20.698 19.961 1.00 0.00 C ATOM 1445 CG1 VAL R 94 29.981 21.377 19.536 1.00 0.00 C ATOM 1446 CG2 VAL R 94 27.549 21.732 19.949 1.00 0.00 C ATOM 0 H VAL R 94 26.558 19.422 20.133 1.00 0.00 H new ATOM 0 HA VAL R 94 28.279 19.948 17.952 1.00 0.00 H new ATOM 0 HB VAL R 94 28.786 20.283 20.963 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.219 22.178 20.236 1.00 0.00 H new ATOM 0 HG12 VAL R 94 30.789 20.645 19.534 1.00 0.00 H new ATOM 0 HG13 VAL R 94 29.865 21.792 18.535 1.00 0.00 H new ATOM 0 HG21 VAL R 94 27.782 22.533 20.650 1.00 0.00 H new ATOM 0 HG22 VAL R 94 27.446 22.146 18.946 1.00 0.00 H new ATOM 0 HG23 VAL R 94 26.614 21.254 20.242 1.00 0.00 H new ATOM 1456 N GLU R 95 29.140 17.363 19.523 1.00 0.00 N ATOM 1457 CA GLU R 95 30.185 16.310 19.606 1.00 0.00 C ATOM 1458 C GLU R 95 30.292 15.554 18.283 1.00 0.00 C ATOM 1459 O GLU R 95 31.044 14.606 18.164 1.00 0.00 O ATOM 1460 CB GLU R 95 29.807 15.326 20.720 1.00 0.00 C ATOM 1461 CG GLU R 95 29.767 16.078 22.053 1.00 0.00 C ATOM 1462 CD GLU R 95 30.671 15.369 23.062 1.00 0.00 C ATOM 1463 OE1 GLU R 95 30.555 14.156 23.133 1.00 0.00 O ATOM 1464 OE2 GLU R 95 31.427 16.078 23.704 1.00 0.00 O ATOM 0 H GLU R 95 28.216 17.098 19.865 1.00 0.00 H new ATOM 0 HA GLU R 95 31.146 16.777 19.820 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.836 14.876 20.512 1.00 0.00 H new ATOM 0 HB3 GLU R 95 30.532 14.513 20.767 1.00 0.00 H new ATOM 0 HG2 GLU R 95 30.097 17.107 21.913 1.00 0.00 H new ATOM 0 HG3 GLU R 95 28.745 16.119 22.430 1.00 0.00 H new ATOM 1471 N LEU R 96 29.534 15.997 17.312 1.00 0.00 N ATOM 1472 CA LEU R 96 29.565 15.330 15.979 1.00 0.00 C ATOM 1473 C LEU R 96 30.483 16.104 15.036 1.00 0.00 C ATOM 1474 O LEU R 96 31.356 15.536 14.402 1.00 0.00 O ATOM 1475 CB LEU R 96 28.107 15.315 15.444 1.00 0.00 C ATOM 1476 CG LEU R 96 27.938 14.538 14.111 1.00 0.00 C ATOM 1477 CD1 LEU R 96 28.070 15.497 12.920 1.00 0.00 C ATOM 1478 CD2 LEU R 96 28.956 13.403 13.967 1.00 0.00 C ATOM 0 H LEU R 96 28.897 16.790 17.386 1.00 0.00 H new ATOM 0 HA LEU R 96 29.951 14.313 16.052 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.458 14.870 16.198 1.00 0.00 H new ATOM 0 HB3 LEU R 96 27.772 16.342 15.300 1.00 0.00 H new ATOM 0 HG LEU R 96 26.943 14.093 14.124 1.00 0.00 H new ATOM 0 HD11 LEU R 96 27.950 14.941 11.990 1.00 0.00 H new ATOM 0 HD12 LEU R 96 27.300 16.266 12.985 1.00 0.00 H new ATOM 0 HD13 LEU R 96 29.054 15.966 12.938 1.00 0.00 H new ATOM 0 HD21 LEU R 96 28.797 12.890 13.019 1.00 0.00 H new ATOM 0 HD22 LEU R 96 29.965 13.814 13.992 1.00 0.00 H new ATOM 0 HD23 LEU R 96 28.831 12.696 14.787 1.00 0.00 H new ATOM 1490 N ARG R 97 30.285 17.391 14.970 1.00 0.00 N ATOM 1491 CA ARG R 97 31.135 18.200 14.082 1.00 0.00 C ATOM 1492 C ARG R 97 32.598 17.845 14.319 1.00 0.00 C ATOM 1493 O ARG R 97 33.433 18.008 13.453 1.00 0.00 O ATOM 1494 CB ARG R 97 30.905 19.671 14.430 1.00 0.00 C ATOM 1495 CG ARG R 97 29.404 19.928 14.594 1.00 0.00 C ATOM 1496 CD ARG R 97 29.141 21.436 14.536 1.00 0.00 C ATOM 1497 NE ARG R 97 29.358 21.917 13.142 1.00 0.00 N ATOM 1498 CZ ARG R 97 30.428 22.612 12.866 1.00 0.00 C ATOM 1499 NH1 ARG R 97 30.776 23.581 13.665 1.00 0.00 N ATOM 1500 NH2 ARG R 97 31.112 22.316 11.793 1.00 0.00 N ATOM 0 H ARG R 97 29.575 17.906 15.491 1.00 0.00 H new ATOM 0 HA ARG R 97 30.889 18.010 13.037 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.431 19.925 15.350 1.00 0.00 H new ATOM 0 HB3 ARG R 97 31.311 20.309 13.645 1.00 0.00 H new ATOM 0 HG2 ARG R 97 28.848 19.419 13.807 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.055 19.522 15.544 1.00 0.00 H new ATOM 0 HD2 ARG R 97 28.121 21.652 14.854 1.00 0.00 H new ATOM 0 HD3 ARG R 97 29.806 21.960 15.222 1.00 0.00 H new ATOM 0 HE ARG R 97 28.678 21.705 12.412 1.00 0.00 H new ATOM 0 HH11 ARG R 97 30.215 23.787 14.492 1.00 0.00 H new ATOM 0 HH12 ARG R 97 31.609 24.134 13.464 1.00 0.00 H new ATOM 0 HH21 ARG R 97 30.807 21.553 11.188 1.00 0.00 H new ATOM 0 HH22 ARG R 97 31.951 22.847 11.560 1.00 0.00 H new ATOM 1514 N GLN R 98 32.873 17.350 15.496 1.00 0.00 N ATOM 1515 CA GLN R 98 34.262 16.974 15.831 1.00 0.00 C ATOM 1516 C GLN R 98 34.830 15.987 14.814 1.00 0.00 C ATOM 1517 O GLN R 98 35.779 16.293 14.120 1.00 0.00 O ATOM 1518 CB GLN R 98 34.227 16.300 17.199 1.00 0.00 C ATOM 1519 CG GLN R 98 33.897 17.346 18.261 1.00 0.00 C ATOM 1520 CD GLN R 98 35.191 17.915 18.847 1.00 0.00 C ATOM 1521 OE1 GLN R 98 35.914 18.642 18.196 1.00 0.00 O ATOM 1522 NE2 GLN R 98 35.516 17.609 20.074 1.00 0.00 N ATOM 0 H GLN R 98 32.189 17.192 16.236 1.00 0.00 H new ATOM 0 HA GLN R 98 34.892 17.863 15.827 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.480 15.506 17.208 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.189 15.836 17.414 1.00 0.00 H new ATOM 0 HG2 GLN R 98 33.302 18.147 17.823 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.295 16.898 19.052 1.00 0.00 H new ATOM 0 HE21 GLN R 98 34.912 16.999 20.625 1.00 0.00 H new ATOM 0 HE22 GLN R 98 36.374 17.980 20.482 1.00 0.00 H new ATOM 1531 N TRP R 99 34.245 14.818 14.743 1.00 0.00 N ATOM 1532 CA TRP R 99 34.770 13.824 13.762 1.00 0.00 C ATOM 1533 C TRP R 99 34.414 14.218 12.337 1.00 0.00 C ATOM 1534 O TRP R 99 35.273 14.434 11.506 1.00 0.00 O ATOM 1535 CB TRP R 99 34.158 12.427 13.984 1.00 0.00 C ATOM 1536 CG TRP R 99 34.832 11.502 12.995 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.150 11.216 13.000 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.205 10.790 12.072 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.262 10.291 12.058 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.112 9.969 11.438 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.872 10.759 11.681 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.710 9.125 10.456 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.479 9.898 10.685 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.400 9.090 10.081 1.00 0.00 C ATOM 0 H TRP R 99 33.449 14.515 15.305 1.00 0.00 H new ATOM 0 HA TRP R 99 35.850 13.803 13.911 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.324 12.089 15.007 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.080 12.446 13.825 1.00 0.00 H new ATOM 0 HD1 TRP R 99 36.926 11.638 13.621 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.153 9.856 11.821 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.150 11.407 12.156 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.428 8.480 9.971 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.444 9.860 10.380 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.087 8.416 9.298 1.00 0.00 H new ATOM 1555 N LEU R 100 33.139 14.289 12.101 1.00 0.00 N ATOM 1556 CA LEU R 100 32.632 14.658 10.754 1.00 0.00 C ATOM 1557 C LEU R 100 33.536 15.659 10.022 1.00 0.00 C ATOM 1558 O LEU R 100 33.694 15.580 8.821 1.00 0.00 O ATOM 1559 CB LEU R 100 31.245 15.280 10.957 1.00 0.00 C ATOM 1560 CG LEU R 100 30.262 14.810 9.877 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.788 15.183 8.484 1.00 0.00 C ATOM 1562 CD2 LEU R 100 30.069 13.291 9.979 1.00 0.00 C ATOM 0 H LEU R 100 32.414 14.104 12.795 1.00 0.00 H new ATOM 0 HA LEU R 100 32.603 13.763 10.133 1.00 0.00 H new ATOM 0 HB2 LEU R 100 30.863 15.010 11.942 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.324 16.367 10.932 1.00 0.00 H new ATOM 0 HG LEU R 100 29.302 15.303 10.030 1.00 0.00 H new ATOM 0 HD11 LEU R 100 30.082 14.844 7.726 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.902 16.265 8.416 1.00 0.00 H new ATOM 0 HD13 LEU R 100 31.754 14.705 8.320 1.00 0.00 H new ATOM 0 HD21 LEU R 100 29.370 12.961 9.210 1.00 0.00 H new ATOM 0 HD22 LEU R 100 31.028 12.792 9.837 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.672 13.040 10.963 1.00 0.00 H new ATOM 1574 N GLU R 101 34.117 16.575 10.743 1.00 0.00 N ATOM 1575 CA GLU R 101 34.999 17.565 10.078 1.00 0.00 C ATOM 1576 C GLU R 101 36.284 16.919 9.558 1.00 0.00 C ATOM 1577 O GLU R 101 36.711 17.182 8.452 1.00 0.00 O ATOM 1578 CB GLU R 101 35.373 18.628 11.116 1.00 0.00 C ATOM 1579 CG GLU R 101 36.084 19.775 10.411 1.00 0.00 C ATOM 1580 CD GLU R 101 36.432 20.862 11.429 1.00 0.00 C ATOM 1581 OE1 GLU R 101 37.112 20.516 12.380 1.00 0.00 O ATOM 1582 OE2 GLU R 101 35.997 21.979 11.199 1.00 0.00 O ATOM 0 H GLU R 101 34.020 16.679 11.753 1.00 0.00 H new ATOM 0 HA GLU R 101 34.469 17.994 9.227 1.00 0.00 H new ATOM 0 HB2 GLU R 101 34.479 18.992 11.622 1.00 0.00 H new ATOM 0 HB3 GLU R 101 36.019 18.197 11.881 1.00 0.00 H new ATOM 0 HG2 GLU R 101 36.990 19.412 9.926 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.447 20.186 9.628 1.00 0.00 H new ATOM 1589 N GLU R 102 36.871 16.083 10.368 1.00 0.00 N ATOM 1590 CA GLU R 102 38.130 15.406 9.956 1.00 0.00 C ATOM 1591 C GLU R 102 37.921 14.386 8.830 1.00 0.00 C ATOM 1592 O GLU R 102 38.696 14.330 7.897 1.00 0.00 O ATOM 1593 CB GLU R 102 38.676 14.664 11.183 1.00 0.00 C ATOM 1594 CG GLU R 102 39.119 15.690 12.227 1.00 0.00 C ATOM 1595 CD GLU R 102 39.908 14.982 13.332 1.00 0.00 C ATOM 1596 OE1 GLU R 102 40.123 13.792 13.167 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.249 15.670 14.280 1.00 0.00 O ATOM 0 H GLU R 102 36.532 15.840 11.299 1.00 0.00 H new ATOM 0 HA GLU R 102 38.816 16.165 9.581 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.910 14.010 11.599 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.516 14.030 10.897 1.00 0.00 H new ATOM 0 HG2 GLU R 102 39.735 16.458 11.760 1.00 0.00 H new ATOM 0 HG3 GLU R 102 38.250 16.193 12.651 1.00 0.00 H new ATOM 1604 N VAL R 103 36.881 13.607 8.925 1.00 0.00 N ATOM 1605 CA VAL R 103 36.634 12.593 7.861 1.00 0.00 C ATOM 1606 C VAL R 103 36.144 13.193 6.535 1.00 0.00 C ATOM 1607 O VAL R 103 36.488 12.692 5.483 1.00 0.00 O ATOM 1608 CB VAL R 103 35.583 11.605 8.382 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.422 12.380 9.003 1.00 0.00 C ATOM 1610 CG2 VAL R 103 35.062 10.757 7.222 1.00 0.00 C ATOM 0 H VAL R 103 36.198 13.626 9.683 1.00 0.00 H new ATOM 0 HA VAL R 103 37.586 12.108 7.645 1.00 0.00 H new ATOM 0 HB VAL R 103 36.034 10.957 9.134 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.674 11.679 9.374 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.791 12.988 9.829 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.972 13.026 8.250 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.315 10.055 7.592 1.00 0.00 H new ATOM 0 HG22 VAL R 103 34.610 11.406 6.471 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.889 10.205 6.775 1.00 0.00 H new ATOM 1620 N LEU R 104 35.366 14.244 6.592 1.00 0.00 N ATOM 1621 CA LEU R 104 34.871 14.852 5.318 1.00 0.00 C ATOM 1622 C LEU R 104 35.724 16.042 4.887 1.00 0.00 C ATOM 1623 O LEU R 104 35.469 16.646 3.863 1.00 0.00 O ATOM 1624 CB LEU R 104 33.425 15.336 5.533 1.00 0.00 C ATOM 1625 CG LEU R 104 32.459 14.534 4.646 1.00 0.00 C ATOM 1626 CD1 LEU R 104 32.321 13.108 5.192 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.087 15.215 4.668 1.00 0.00 C ATOM 0 H LEU R 104 35.056 14.702 7.449 1.00 0.00 H new ATOM 0 HA LEU R 104 34.925 14.094 4.537 1.00 0.00 H new ATOM 0 HB2 LEU R 104 33.148 15.222 6.581 1.00 0.00 H new ATOM 0 HB3 LEU R 104 33.350 16.398 5.297 1.00 0.00 H new ATOM 0 HG LEU R 104 32.843 14.495 3.627 1.00 0.00 H new ATOM 0 HD11 LEU R 104 31.636 12.542 4.561 1.00 0.00 H new ATOM 0 HD12 LEU R 104 33.297 12.623 5.194 1.00 0.00 H new ATOM 0 HD13 LEU R 104 31.932 13.144 6.210 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.393 14.655 4.042 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.711 15.243 5.691 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.179 16.232 4.287 1.00 0.00 H new ATOM 1639 N LEU R 105 36.721 16.366 5.665 1.00 0.00 N ATOM 1640 CA LEU R 105 37.582 17.518 5.283 1.00 0.00 C ATOM 1641 C LEU R 105 37.979 17.418 3.813 1.00 0.00 C ATOM 1642 O LEU R 105 38.067 18.414 3.119 1.00 0.00 O ATOM 1643 CB LEU R 105 38.857 17.490 6.135 1.00 0.00 C ATOM 1644 CG LEU R 105 39.370 18.923 6.313 1.00 0.00 C ATOM 1645 CD1 LEU R 105 38.711 19.549 7.545 1.00 0.00 C ATOM 1646 CD2 LEU R 105 40.886 18.899 6.509 1.00 0.00 C ATOM 0 H LEU R 105 36.973 15.892 6.533 1.00 0.00 H new ATOM 0 HA LEU R 105 37.029 18.443 5.446 1.00 0.00 H new ATOM 0 HB2 LEU R 105 38.651 17.041 7.106 1.00 0.00 H new ATOM 0 HB3 LEU R 105 39.618 16.875 5.654 1.00 0.00 H new ATOM 0 HG LEU R 105 39.125 19.510 5.428 1.00 0.00 H new ATOM 0 HD11 LEU R 105 39.075 20.569 7.674 1.00 0.00 H new ATOM 0 HD12 LEU R 105 37.629 19.564 7.411 1.00 0.00 H new ATOM 0 HD13 LEU R 105 38.959 18.961 8.429 1.00 0.00 H new ATOM 0 HD21 LEU R 105 41.253 19.918 6.636 1.00 0.00 H new ATOM 0 HD22 LEU R 105 41.129 18.313 7.395 1.00 0.00 H new ATOM 0 HD23 LEU R 105 41.359 18.449 5.636 1.00 0.00 H new ATOM 1871 N HIS S 16 23.275 1.448 -4.637 1.00 0.00 N ATOM 1872 CA HIS S 16 24.384 0.758 -3.907 1.00 0.00 C ATOM 1873 C HIS S 16 25.684 1.559 -3.985 1.00 0.00 C ATOM 1874 O HIS S 16 26.652 1.241 -3.324 1.00 0.00 O ATOM 1875 CB HIS S 16 24.626 -0.620 -4.547 1.00 0.00 C ATOM 1876 CG HIS S 16 23.685 -0.826 -5.736 1.00 0.00 C ATOM 1877 ND1 HIS S 16 22.776 -1.710 -5.800 1.00 0.00 N ATOM 1878 CD2 HIS S 16 23.620 -0.161 -6.946 1.00 0.00 C ATOM 1879 CE1 HIS S 16 22.167 -1.651 -6.923 1.00 0.00 C ATOM 1880 NE2 HIS S 16 22.647 -0.695 -7.704 1.00 0.00 N ATOM 0 HA HIS S 16 24.092 0.660 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS S 16 25.662 -0.699 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS S 16 24.466 -1.405 -3.808 1.00 0.00 H new ATOM 0 HD2 HIS S 16 24.255 0.663 -7.238 1.00 0.00 H new ATOM 0 HE1 HIS S 16 21.355 -2.306 -7.202 1.00 0.00 H new ATOM 0 HE2 HIS S 16 22.352 -0.431 -8.644 1.00 0.00 H new ATOM 1888 N GLN S 17 25.677 2.590 -4.784 1.00 0.00 N ATOM 1889 CA GLN S 17 26.905 3.425 -4.919 1.00 0.00 C ATOM 1890 C GLN S 17 27.389 3.951 -3.569 1.00 0.00 C ATOM 1891 O GLN S 17 28.575 4.101 -3.348 1.00 0.00 O ATOM 1892 CB GLN S 17 26.567 4.630 -5.806 1.00 0.00 C ATOM 1893 CG GLN S 17 25.948 4.135 -7.112 1.00 0.00 C ATOM 1894 CD GLN S 17 26.773 4.654 -8.291 1.00 0.00 C ATOM 1895 OE1 GLN S 17 26.469 5.674 -8.877 1.00 0.00 O ATOM 1896 NE2 GLN S 17 27.827 3.983 -8.668 1.00 0.00 N ATOM 0 H GLN S 17 24.880 2.890 -5.346 1.00 0.00 H new ATOM 0 HA GLN S 17 27.693 2.807 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.873 5.294 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN S 17 27.467 5.208 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN S 17 25.920 3.045 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.918 4.481 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN S 17 28.087 3.126 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN S 17 28.390 4.316 -9.451 1.00 0.00 H new ATOM 1905 N GLU S 18 26.462 4.224 -2.695 1.00 0.00 N ATOM 1906 CA GLU S 18 26.852 4.745 -1.352 1.00 0.00 C ATOM 1907 C GLU S 18 26.966 3.625 -0.320 1.00 0.00 C ATOM 1908 O GLU S 18 27.675 3.745 0.657 1.00 0.00 O ATOM 1909 CB GLU S 18 25.756 5.710 -0.888 1.00 0.00 C ATOM 1910 CG GLU S 18 25.216 6.471 -2.101 1.00 0.00 C ATOM 1911 CD GLU S 18 24.677 7.829 -1.649 1.00 0.00 C ATOM 1912 OE1 GLU S 18 25.508 8.703 -1.457 1.00 0.00 O ATOM 1913 OE2 GLU S 18 23.468 7.918 -1.522 1.00 0.00 O ATOM 0 H GLU S 18 25.460 4.111 -2.848 1.00 0.00 H new ATOM 0 HA GLU S 18 27.823 5.232 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.952 5.160 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU S 18 26.156 6.408 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU S 18 26.006 6.608 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU S 18 24.426 5.896 -2.583 1.00 0.00 H new ATOM 1920 N TRP S 19 26.264 2.560 -0.561 1.00 0.00 N ATOM 1921 CA TRP S 19 26.306 1.417 0.387 1.00 0.00 C ATOM 1922 C TRP S 19 27.722 1.040 0.819 1.00 0.00 C ATOM 1923 O TRP S 19 27.902 0.545 1.913 1.00 0.00 O ATOM 1924 CB TRP S 19 25.682 0.212 -0.298 1.00 0.00 C ATOM 1925 CG TRP S 19 26.021 -1.015 0.526 1.00 0.00 C ATOM 1926 CD1 TRP S 19 27.073 -1.813 0.294 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.335 -1.443 1.584 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.986 -2.728 1.251 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.935 -2.578 2.097 1.00 0.00 C ATOM 1930 CE3 TRP S 19 24.176 -0.955 2.176 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.388 -3.221 3.182 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.628 -1.615 3.258 1.00 0.00 C ATOM 1933 CH2 TRP S 19 24.233 -2.743 3.760 1.00 0.00 C ATOM 0 H TRP S 19 25.662 2.430 -1.374 1.00 0.00 H new ATOM 0 HA TRP S 19 25.763 1.717 1.283 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.602 0.334 -0.376 1.00 0.00 H new ATOM 0 HB3 TRP S 19 26.065 0.109 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.815 -1.731 -0.486 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.659 -3.488 1.344 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.706 -0.062 1.791 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.865 -4.103 3.582 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.721 -1.244 3.712 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.802 -3.254 4.608 1.00 0.00 H new ATOM 1944 N LEU S 20 28.691 1.258 -0.035 1.00 0.00 N ATOM 1945 CA LEU S 20 30.094 0.904 0.346 1.00 0.00 C ATOM 1946 C LEU S 20 31.006 2.133 0.420 1.00 0.00 C ATOM 1947 O LEU S 20 31.976 2.136 1.153 1.00 0.00 O ATOM 1948 CB LEU S 20 30.648 -0.065 -0.707 1.00 0.00 C ATOM 1949 CG LEU S 20 30.409 0.499 -2.109 1.00 0.00 C ATOM 1950 CD1 LEU S 20 31.623 0.179 -2.982 1.00 0.00 C ATOM 1951 CD2 LEU S 20 29.167 -0.157 -2.718 1.00 0.00 C ATOM 0 H LEU S 20 28.575 1.659 -0.966 1.00 0.00 H new ATOM 0 HA LEU S 20 30.073 0.452 1.337 1.00 0.00 H new ATOM 0 HB2 LEU S 20 31.715 -0.221 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU S 20 30.165 -1.037 -0.609 1.00 0.00 H new ATOM 0 HG LEU S 20 30.260 1.577 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU S 20 31.465 0.576 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU S 20 32.513 0.634 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.757 -0.901 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU S 20 28.996 0.244 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU S 20 29.319 -1.235 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU S 20 28.301 0.051 -2.090 1.00 0.00 H new ATOM 1963 N ARG S 21 30.685 3.154 -0.326 1.00 0.00 N ATOM 1964 CA ARG S 21 31.545 4.367 -0.286 1.00 0.00 C ATOM 1965 C ARG S 21 31.409 5.095 1.050 1.00 0.00 C ATOM 1966 O ARG S 21 32.394 5.405 1.689 1.00 0.00 O ATOM 1967 CB ARG S 21 31.119 5.316 -1.414 1.00 0.00 C ATOM 1968 CG ARG S 21 32.366 5.806 -2.161 1.00 0.00 C ATOM 1969 CD ARG S 21 33.327 6.468 -1.168 1.00 0.00 C ATOM 1970 NE ARG S 21 33.966 7.647 -1.810 1.00 0.00 N ATOM 1971 CZ ARG S 21 34.109 8.739 -1.114 1.00 0.00 C ATOM 1972 NH1 ARG S 21 33.152 9.626 -1.134 1.00 0.00 N ATOM 1973 NH2 ARG S 21 35.198 8.905 -0.415 1.00 0.00 N ATOM 0 H ARG S 21 29.880 3.201 -0.950 1.00 0.00 H new ATOM 0 HA ARG S 21 32.583 4.060 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG S 21 30.447 4.803 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG S 21 30.570 6.164 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG S 21 32.858 4.970 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG S 21 32.082 6.516 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG S 21 32.787 6.776 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG S 21 34.088 5.755 -0.852 1.00 0.00 H new ATOM 0 HE ARG S 21 34.286 7.602 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG S 21 32.312 9.458 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG S 21 33.244 10.488 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG S 21 35.921 8.186 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG S 21 35.326 9.754 0.136 1.00 0.00 H new ATOM 1987 N PHE S 22 30.196 5.362 1.446 1.00 0.00 N ATOM 1988 CA PHE S 22 30.001 6.070 2.737 1.00 0.00 C ATOM 1989 C PHE S 22 30.170 5.105 3.908 1.00 0.00 C ATOM 1990 O PHE S 22 30.784 5.427 4.908 1.00 0.00 O ATOM 1991 CB PHE S 22 28.587 6.657 2.763 1.00 0.00 C ATOM 1992 CG PHE S 22 28.657 8.131 2.359 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.890 9.109 3.309 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.501 8.503 1.035 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.969 10.437 2.940 1.00 0.00 C ATOM 1996 CE2 PHE S 22 28.580 9.830 0.668 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.813 10.797 1.619 1.00 0.00 C ATOM 0 H PHE S 22 29.344 5.124 0.939 1.00 0.00 H new ATOM 0 HA PHE S 22 30.745 6.862 2.830 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.938 6.109 2.080 1.00 0.00 H new ATOM 0 HB3 PHE S 22 28.156 6.559 3.759 1.00 0.00 H new ATOM 0 HD1 PHE S 22 29.011 8.832 4.346 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.316 7.749 0.284 1.00 0.00 H new ATOM 0 HE1 PHE S 22 29.153 11.195 3.687 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.459 10.111 -0.368 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.873 11.836 1.331 1.00 0.00 H new ATOM 2007 N VAL S 23 29.620 3.934 3.759 1.00 0.00 N ATOM 2008 CA VAL S 23 29.742 2.941 4.853 1.00 0.00 C ATOM 2009 C VAL S 23 31.212 2.745 5.215 1.00 0.00 C ATOM 2010 O VAL S 23 31.545 2.522 6.361 1.00 0.00 O ATOM 2011 CB VAL S 23 29.146 1.615 4.371 1.00 0.00 C ATOM 2012 CG1 VAL S 23 29.574 0.490 5.321 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.619 1.734 4.369 1.00 0.00 C ATOM 0 H VAL S 23 29.099 3.627 2.938 1.00 0.00 H new ATOM 0 HA VAL S 23 29.209 3.292 5.737 1.00 0.00 H new ATOM 0 HB VAL S 23 29.500 1.389 3.365 1.00 0.00 H new ATOM 0 HG11 VAL S 23 29.151 -0.455 4.980 1.00 0.00 H new ATOM 0 HG12 VAL S 23 30.662 0.418 5.332 1.00 0.00 H new ATOM 0 HG13 VAL S 23 29.214 0.707 6.327 1.00 0.00 H new ATOM 0 HG21 VAL S 23 27.181 0.796 4.028 1.00 0.00 H new ATOM 0 HG22 VAL S 23 27.270 1.951 5.378 1.00 0.00 H new ATOM 0 HG23 VAL S 23 27.318 2.540 3.700 1.00 0.00 H new ATOM 2023 N ASP S 24 32.068 2.829 4.230 1.00 0.00 N ATOM 2024 CA ASP S 24 33.514 2.650 4.521 1.00 0.00 C ATOM 2025 C ASP S 24 33.969 3.722 5.503 1.00 0.00 C ATOM 2026 O ASP S 24 34.875 3.509 6.283 1.00 0.00 O ATOM 2027 CB ASP S 24 34.301 2.799 3.212 1.00 0.00 C ATOM 2028 CG ASP S 24 35.788 2.559 3.485 1.00 0.00 C ATOM 2029 OD1 ASP S 24 36.146 1.395 3.546 1.00 0.00 O ATOM 2030 OD2 ASP S 24 36.481 3.555 3.619 1.00 0.00 O ATOM 0 H ASP S 24 31.831 3.011 3.255 1.00 0.00 H new ATOM 0 HA ASP S 24 33.687 1.664 4.953 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.936 2.087 2.472 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.152 3.796 2.796 1.00 0.00 H new ATOM 2035 N LEU S 25 33.331 4.863 5.439 1.00 0.00 N ATOM 2036 CA LEU S 25 33.712 5.958 6.364 1.00 0.00 C ATOM 2037 C LEU S 25 33.112 5.699 7.742 1.00 0.00 C ATOM 2038 O LEU S 25 33.585 6.197 8.742 1.00 0.00 O ATOM 2039 CB LEU S 25 33.173 7.281 5.809 1.00 0.00 C ATOM 2040 CG LEU S 25 33.459 7.335 4.305 1.00 0.00 C ATOM 2041 CD1 LEU S 25 33.153 8.739 3.777 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.937 7.022 4.061 1.00 0.00 C ATOM 0 H LEU S 25 32.572 5.077 4.792 1.00 0.00 H new ATOM 0 HA LEU S 25 34.797 6.007 6.453 1.00 0.00 H new ATOM 0 HB2 LEU S 25 32.102 7.359 5.993 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.646 8.123 6.314 1.00 0.00 H new ATOM 0 HG LEU S 25 32.835 6.605 3.790 1.00 0.00 H new ATOM 0 HD11 LEU S 25 33.356 8.778 2.707 1.00 0.00 H new ATOM 0 HD12 LEU S 25 32.104 8.974 3.956 1.00 0.00 H new ATOM 0 HD13 LEU S 25 33.781 9.466 4.292 1.00 0.00 H new ATOM 0 HD21 LEU S 25 35.145 7.059 2.992 1.00 0.00 H new ATOM 0 HD22 LEU S 25 35.555 7.757 4.577 1.00 0.00 H new ATOM 0 HD23 LEU S 25 35.165 6.026 4.441 1.00 0.00 H new ATOM 2054 N LEU S 26 32.058 4.939 7.777 1.00 0.00 N ATOM 2055 CA LEU S 26 31.451 4.659 9.098 1.00 0.00 C ATOM 2056 C LEU S 26 32.481 3.902 9.935 1.00 0.00 C ATOM 2057 O LEU S 26 32.562 4.056 11.139 1.00 0.00 O ATOM 2058 CB LEU S 26 30.204 3.786 8.895 1.00 0.00 C ATOM 2059 CG LEU S 26 29.557 3.480 10.251 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.171 4.789 10.944 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.295 2.646 10.024 1.00 0.00 C ATOM 0 H LEU S 26 31.602 4.511 6.971 1.00 0.00 H new ATOM 0 HA LEU S 26 31.164 5.582 9.601 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.491 4.299 8.249 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.477 2.857 8.394 1.00 0.00 H new ATOM 0 HG LEU S 26 30.262 2.932 10.875 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.711 4.569 11.908 1.00 0.00 H new ATOM 0 HD12 LEU S 26 30.063 5.396 11.098 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.463 5.336 10.321 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.828 2.424 10.984 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.596 3.205 9.402 1.00 0.00 H new ATOM 0 HD23 LEU S 26 28.560 1.714 9.525 1.00 0.00 H new ATOM 2073 N LYS S 27 33.257 3.099 9.251 1.00 0.00 N ATOM 2074 CA LYS S 27 34.303 2.307 9.934 1.00 0.00 C ATOM 2075 C LYS S 27 35.469 3.213 10.329 1.00 0.00 C ATOM 2076 O LYS S 27 36.234 2.896 11.219 1.00 0.00 O ATOM 2077 CB LYS S 27 34.750 1.207 8.945 1.00 0.00 C ATOM 2078 CG LYS S 27 36.202 1.401 8.478 1.00 0.00 C ATOM 2079 CD LYS S 27 36.470 0.435 7.319 1.00 0.00 C ATOM 2080 CE LYS S 27 37.898 0.629 6.803 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.923 1.609 5.680 1.00 0.00 N ATOM 0 H LYS S 27 33.204 2.963 8.242 1.00 0.00 H new ATOM 0 HA LYS S 27 33.928 1.854 10.852 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.650 0.231 9.420 1.00 0.00 H new ATOM 0 HB3 LYS S 27 34.088 1.209 8.079 1.00 0.00 H new ATOM 0 HG2 LYS S 27 36.363 2.431 8.159 1.00 0.00 H new ATOM 0 HG3 LYS S 27 36.893 1.210 9.299 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.330 -0.594 7.651 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.756 0.610 6.515 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.538 0.979 7.613 1.00 0.00 H new ATOM 0 HE3 LYS S 27 38.302 -0.326 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.898 1.714 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.315 1.268 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 37.574 2.530 6.015 1.00 0.00 H new ATOM 2095 N ASN S 28 35.583 4.328 9.648 1.00 0.00 N ATOM 2096 CA ASN S 28 36.688 5.273 9.966 1.00 0.00 C ATOM 2097 C ASN S 28 36.424 5.964 11.299 1.00 0.00 C ATOM 2098 O ASN S 28 37.333 6.211 12.059 1.00 0.00 O ATOM 2099 CB ASN S 28 36.764 6.356 8.875 1.00 0.00 C ATOM 2100 CG ASN S 28 37.629 5.856 7.716 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.781 6.221 7.587 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.117 5.023 6.852 1.00 0.00 N ATOM 0 H ASN S 28 34.962 4.619 8.893 1.00 0.00 H new ATOM 0 HA ASN S 28 37.621 4.711 10.018 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.763 6.597 8.517 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.185 7.273 9.287 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.683 4.683 6.075 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.151 4.712 6.954 1.00 0.00 H new ATOM 2109 N ALA S 29 35.179 6.264 11.552 1.00 0.00 N ATOM 2110 CA ALA S 29 34.825 6.940 12.832 1.00 0.00 C ATOM 2111 C ALA S 29 34.927 5.968 13.996 1.00 0.00 C ATOM 2112 O ALA S 29 35.456 6.298 15.039 1.00 0.00 O ATOM 2113 CB ALA S 29 33.374 7.415 12.732 1.00 0.00 C ATOM 0 H ALA S 29 34.394 6.071 10.930 1.00 0.00 H new ATOM 0 HA ALA S 29 35.509 7.772 13.000 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.090 7.914 13.658 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.276 8.112 11.900 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.721 6.558 12.567 1.00 0.00 H new ATOM 2119 N TYR S 30 34.408 4.786 13.803 1.00 0.00 N ATOM 2120 CA TYR S 30 34.476 3.790 14.895 1.00 0.00 C ATOM 2121 C TYR S 30 35.866 3.751 15.501 1.00 0.00 C ATOM 2122 O TYR S 30 36.133 4.474 16.440 1.00 0.00 O ATOM 2123 CB TYR S 30 34.152 2.402 14.323 1.00 0.00 C ATOM 2124 CG TYR S 30 32.664 2.096 14.530 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.147 1.963 15.802 1.00 0.00 C ATOM 2126 CD2 TYR S 30 31.823 1.921 13.448 1.00 0.00 C ATOM 2127 CE1 TYR S 30 30.814 1.663 15.990 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.490 1.620 13.636 1.00 0.00 C ATOM 2129 CZ TYR S 30 29.974 1.486 14.908 1.00 0.00 C ATOM 2130 OH TYR S 30 28.644 1.173 15.098 1.00 0.00 O ATOM 0 H TYR S 30 33.947 4.475 12.948 1.00 0.00 H new ATOM 0 HA TYR S 30 33.759 4.069 15.668 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.396 2.369 13.261 1.00 0.00 H new ATOM 0 HB3 TYR S 30 34.762 1.644 14.814 1.00 0.00 H new ATOM 0 HD1 TYR S 30 32.792 2.095 16.658 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.213 2.021 12.446 1.00 0.00 H new ATOM 0 HE1 TYR S 30 30.424 1.566 16.992 1.00 0.00 H new ATOM 0 HE2 TYR S 30 29.845 1.488 12.780 1.00 0.00 H new ATOM 0 HH TYR S 30 28.201 1.086 14.228 1.00 0.00 H new ATOM 2140 N GLN S 31 36.724 2.987 14.853 1.00 0.00 N ATOM 2141 CA GLN S 31 38.145 2.811 15.298 1.00 0.00 C ATOM 2142 C GLN S 31 38.576 3.839 16.329 1.00 0.00 C ATOM 2143 O GLN S 31 38.855 3.510 17.464 1.00 0.00 O ATOM 2144 CB GLN S 31 39.043 2.949 14.061 1.00 0.00 C ATOM 2145 CG GLN S 31 40.409 2.306 14.331 1.00 0.00 C ATOM 2146 CD GLN S 31 41.514 3.319 14.033 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.382 3.087 13.213 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.523 4.452 14.680 1.00 0.00 N ATOM 0 H GLN S 31 36.486 2.465 14.010 1.00 0.00 H new ATOM 0 HA GLN S 31 38.232 1.831 15.768 1.00 0.00 H new ATOM 0 HB2 GLN S 31 38.570 2.471 13.203 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.171 4.002 13.810 1.00 0.00 H new ATOM 0 HG2 GLN S 31 40.471 1.979 15.369 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.535 1.420 13.709 1.00 0.00 H new ATOM 0 HE21 GLN S 31 40.798 4.652 15.369 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.255 5.138 14.497 1.00 0.00 H new ATOM 2157 N ASN S 32 38.626 5.061 15.913 1.00 0.00 N ATOM 2158 CA ASN S 32 39.036 6.132 16.848 1.00 0.00 C ATOM 2159 C ASN S 32 37.896 6.464 17.794 1.00 0.00 C ATOM 2160 O ASN S 32 37.765 7.579 18.237 1.00 0.00 O ATOM 2161 CB ASN S 32 39.394 7.380 16.059 1.00 0.00 C ATOM 2162 CG ASN S 32 39.577 7.029 14.584 1.00 0.00 C ATOM 2163 OD1 ASN S 32 38.640 6.685 13.900 1.00 0.00 O ATOM 2164 ND2 ASN S 32 40.767 7.107 14.054 1.00 0.00 N ATOM 0 H ASN S 32 38.401 5.368 14.967 1.00 0.00 H new ATOM 0 HA ASN S 32 39.897 5.788 17.422 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.609 8.128 16.169 1.00 0.00 H new ATOM 0 HB3 ASN S 32 40.310 7.820 16.453 1.00 0.00 H new ATOM 0 HD21 ASN S 32 40.903 6.879 13.069 1.00 0.00 H new ATOM 0 HD22 ASN S 32 41.561 7.396 14.625 1.00 0.00 H new ATOM 2171 N ASP S 33 37.153 5.457 18.148 1.00 0.00 N ATOM 2172 CA ASP S 33 36.003 5.652 19.061 1.00 0.00 C ATOM 2173 C ASP S 33 35.361 7.024 18.906 1.00 0.00 C ATOM 2174 O ASP S 33 34.789 7.554 19.838 1.00 0.00 O ATOM 2175 CB ASP S 33 36.570 5.566 20.458 1.00 0.00 C ATOM 2176 CG ASP S 33 35.473 5.167 21.446 1.00 0.00 C ATOM 2177 OD1 ASP S 33 34.441 5.815 21.402 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.729 4.234 22.191 1.00 0.00 O ATOM 0 H ASP S 33 37.297 4.496 17.838 1.00 0.00 H new ATOM 0 HA ASP S 33 35.238 4.906 18.844 1.00 0.00 H new ATOM 0 HB2 ASP S 33 37.379 4.836 20.486 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.997 6.527 20.745 1.00 0.00 H new ATOM 2183 N LEU S 34 35.460 7.568 17.729 1.00 0.00 N ATOM 2184 CA LEU S 34 34.860 8.903 17.498 1.00 0.00 C ATOM 2185 C LEU S 34 33.478 8.733 16.897 1.00 0.00 C ATOM 2186 O LEU S 34 32.901 9.662 16.368 1.00 0.00 O ATOM 2187 CB LEU S 34 35.751 9.667 16.512 1.00 0.00 C ATOM 2188 CG LEU S 34 36.442 10.838 17.228 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.451 10.310 18.250 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.204 11.667 16.198 1.00 0.00 C ATOM 0 H LEU S 34 35.926 7.149 16.924 1.00 0.00 H new ATOM 0 HA LEU S 34 34.780 9.450 18.437 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.499 8.996 16.089 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.152 10.040 15.681 1.00 0.00 H new ATOM 0 HG LEU S 34 35.686 11.439 17.732 1.00 0.00 H new ATOM 0 HD11 LEU S 34 37.934 11.149 18.751 1.00 0.00 H new ATOM 0 HD12 LEU S 34 36.934 9.696 18.987 1.00 0.00 H new ATOM 0 HD13 LEU S 34 38.204 9.709 17.741 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.698 12.501 16.696 1.00 0.00 H new ATOM 0 HD22 LEU S 34 37.951 11.042 15.709 1.00 0.00 H new ATOM 0 HD23 LEU S 34 36.508 12.051 15.453 1.00 0.00 H new ATOM 2202 N HIS S 35 32.970 7.533 16.993 1.00 0.00 N ATOM 2203 CA HIS S 35 31.616 7.277 16.426 1.00 0.00 C ATOM 2204 C HIS S 35 30.499 7.554 17.424 1.00 0.00 C ATOM 2205 O HIS S 35 29.414 7.897 17.026 1.00 0.00 O ATOM 2206 CB HIS S 35 31.512 5.807 16.038 1.00 0.00 C ATOM 2207 CG HIS S 35 31.732 4.951 17.288 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.757 4.990 18.037 1.00 0.00 N ATOM 2209 CD2 HIS S 35 30.891 4.032 17.887 1.00 0.00 C ATOM 2210 CE1 HIS S 35 32.619 4.190 19.030 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.465 3.548 18.999 1.00 0.00 N ATOM 0 H HIS S 35 33.425 6.732 17.432 1.00 0.00 H new ATOM 0 HA HIS S 35 31.499 7.945 15.572 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.533 5.599 15.605 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.255 5.564 15.278 1.00 0.00 H new ATOM 0 HD2 HIS S 35 29.918 3.746 17.516 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.361 4.057 19.803 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.101 2.857 19.656 1.00 0.00 H new ATOM 2219 N LEU S 36 30.778 7.403 18.694 1.00 0.00 N ATOM 2220 CA LEU S 36 29.713 7.657 19.709 1.00 0.00 C ATOM 2221 C LEU S 36 28.802 8.835 19.320 1.00 0.00 C ATOM 2222 O LEU S 36 27.601 8.672 19.262 1.00 0.00 O ATOM 2223 CB LEU S 36 30.359 7.900 21.079 1.00 0.00 C ATOM 2224 CG LEU S 36 30.136 6.658 21.962 1.00 0.00 C ATOM 2225 CD1 LEU S 36 31.044 6.744 23.190 1.00 0.00 C ATOM 2226 CD2 LEU S 36 28.673 6.580 22.427 1.00 0.00 C ATOM 0 H LEU S 36 31.684 7.119 19.068 1.00 0.00 H new ATOM 0 HA LEU S 36 29.077 6.773 19.755 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.425 8.094 20.964 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.923 8.781 21.550 1.00 0.00 H new ATOM 0 HG LEU S 36 30.370 5.768 21.379 1.00 0.00 H new ATOM 0 HD11 LEU S 36 30.890 5.867 23.819 1.00 0.00 H new ATOM 0 HD12 LEU S 36 32.085 6.783 22.870 1.00 0.00 H new ATOM 0 HD13 LEU S 36 30.805 7.643 23.757 1.00 0.00 H new ATOM 0 HD21 LEU S 36 28.536 5.696 23.049 1.00 0.00 H new ATOM 0 HD22 LEU S 36 28.426 7.472 23.004 1.00 0.00 H new ATOM 0 HD23 LEU S 36 28.018 6.517 21.558 1.00 0.00 H new ATOM 2238 N PRO S 37 29.353 10.005 19.070 1.00 0.00 N ATOM 2239 CA PRO S 37 28.510 11.148 18.691 1.00 0.00 C ATOM 2240 C PRO S 37 27.694 10.841 17.426 1.00 0.00 C ATOM 2241 O PRO S 37 26.483 10.751 17.480 1.00 0.00 O ATOM 2242 CB PRO S 37 29.495 12.285 18.407 1.00 0.00 C ATOM 2243 CG PRO S 37 30.919 11.777 18.742 1.00 0.00 C ATOM 2244 CD PRO S 37 30.800 10.313 19.188 1.00 0.00 C ATOM 0 HA PRO S 37 27.794 11.393 19.475 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.435 12.590 17.362 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.251 13.160 19.009 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.569 11.860 17.871 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.365 12.382 19.531 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.398 9.656 18.557 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.152 10.180 20.211 1.00 0.00 H new ATOM 2252 N LEU S 38 28.368 10.684 16.309 1.00 0.00 N ATOM 2253 CA LEU S 38 27.631 10.383 15.046 1.00 0.00 C ATOM 2254 C LEU S 38 26.669 9.234 15.268 1.00 0.00 C ATOM 2255 O LEU S 38 25.618 9.172 14.665 1.00 0.00 O ATOM 2256 CB LEU S 38 28.660 10.043 13.942 1.00 0.00 C ATOM 2257 CG LEU S 38 28.762 8.530 13.687 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.550 8.026 12.890 1.00 0.00 C ATOM 2259 CD2 LEU S 38 30.014 8.283 12.853 1.00 0.00 C ATOM 0 H LEU S 38 29.382 10.751 16.221 1.00 0.00 H new ATOM 0 HA LEU S 38 27.047 11.249 14.735 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.378 10.547 13.018 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.639 10.428 14.229 1.00 0.00 H new ATOM 0 HG LEU S 38 28.798 8.006 14.642 1.00 0.00 H new ATOM 0 HD11 LEU S 38 27.645 6.953 12.722 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.637 8.226 13.451 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.506 8.541 11.930 1.00 0.00 H new ATOM 0 HD21 LEU S 38 30.115 7.216 12.655 1.00 0.00 H new ATOM 0 HD22 LEU S 38 29.934 8.821 11.909 1.00 0.00 H new ATOM 0 HD23 LEU S 38 30.890 8.635 13.398 1.00 0.00 H new ATOM 2271 N LEU S 39 27.043 8.344 16.127 1.00 0.00 N ATOM 2272 CA LEU S 39 26.140 7.187 16.396 1.00 0.00 C ATOM 2273 C LEU S 39 24.822 7.715 16.960 1.00 0.00 C ATOM 2274 O LEU S 39 23.792 7.636 16.319 1.00 0.00 O ATOM 2275 CB LEU S 39 26.812 6.264 17.438 1.00 0.00 C ATOM 2276 CG LEU S 39 26.186 4.848 17.474 1.00 0.00 C ATOM 2277 CD1 LEU S 39 24.658 4.884 17.345 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.766 3.985 16.359 1.00 0.00 C ATOM 0 H LEU S 39 27.918 8.357 16.651 1.00 0.00 H new ATOM 0 HA LEU S 39 25.952 6.630 15.478 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.875 6.181 17.212 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.731 6.718 18.426 1.00 0.00 H new ATOM 0 HG LEU S 39 26.431 4.418 18.445 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.266 3.867 17.376 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.237 5.460 18.169 1.00 0.00 H new ATOM 0 HD13 LEU S 39 24.384 5.350 16.399 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.317 2.992 16.396 1.00 0.00 H new ATOM 0 HD22 LEU S 39 26.551 4.444 15.394 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.845 3.900 16.488 1.00 0.00 H new ATOM 2290 N ASN S 40 24.882 8.244 18.151 1.00 0.00 N ATOM 2291 CA ASN S 40 23.645 8.784 18.775 1.00 0.00 C ATOM 2292 C ASN S 40 22.838 9.616 17.778 1.00 0.00 C ATOM 2293 O ASN S 40 21.628 9.681 17.870 1.00 0.00 O ATOM 2294 CB ASN S 40 24.043 9.673 19.959 1.00 0.00 C ATOM 2295 CG ASN S 40 23.311 9.193 21.213 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.697 8.225 21.838 1.00 0.00 O ATOM 2297 ND2 ASN S 40 22.251 9.839 21.611 1.00 0.00 N ATOM 0 H ASN S 40 25.728 8.325 18.714 1.00 0.00 H new ATOM 0 HA ASN S 40 23.026 7.949 19.104 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.121 9.632 20.114 1.00 0.00 H new ATOM 0 HB3 ASN S 40 23.790 10.713 19.751 1.00 0.00 H new ATOM 0 HD21 ASN S 40 21.749 9.531 22.444 1.00 0.00 H new ATOM 0 HD22 ASN S 40 21.923 10.652 21.089 1.00 0.00 H new ATOM 2304 N LEU S 41 23.519 10.239 16.849 1.00 0.00 N ATOM 2305 CA LEU S 41 22.794 11.070 15.844 1.00 0.00 C ATOM 2306 C LEU S 41 21.568 10.318 15.344 1.00 0.00 C ATOM 2307 O LEU S 41 20.507 10.888 15.170 1.00 0.00 O ATOM 2308 CB LEU S 41 23.736 11.326 14.654 1.00 0.00 C ATOM 2309 CG LEU S 41 23.223 12.507 13.817 1.00 0.00 C ATOM 2310 CD1 LEU S 41 23.273 13.800 14.641 1.00 0.00 C ATOM 2311 CD2 LEU S 41 24.123 12.672 12.591 1.00 0.00 C ATOM 0 H LEU S 41 24.533 10.208 16.744 1.00 0.00 H new ATOM 0 HA LEU S 41 22.483 12.010 16.299 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.742 11.537 15.016 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.801 10.432 14.034 1.00 0.00 H new ATOM 0 HG LEU S 41 22.194 12.311 13.515 1.00 0.00 H new ATOM 0 HD11 LEU S 41 22.907 14.631 14.037 1.00 0.00 H new ATOM 0 HD12 LEU S 41 22.647 13.692 15.527 1.00 0.00 H new ATOM 0 HD13 LEU S 41 24.301 13.998 14.945 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.768 13.508 11.989 1.00 0.00 H new ATOM 0 HD22 LEU S 41 25.146 12.866 12.914 1.00 0.00 H new ATOM 0 HD23 LEU S 41 24.097 11.759 11.995 1.00 0.00 H new ATOM 2323 N MET S 42 21.752 9.044 15.121 1.00 0.00 N ATOM 2324 CA MET S 42 20.628 8.195 14.631 1.00 0.00 C ATOM 2325 C MET S 42 20.403 7.014 15.573 1.00 0.00 C ATOM 2326 O MET S 42 20.590 5.873 15.197 1.00 0.00 O ATOM 2327 CB MET S 42 20.999 7.651 13.244 1.00 0.00 C ATOM 2328 CG MET S 42 21.024 8.799 12.225 1.00 0.00 C ATOM 2329 SD MET S 42 20.061 8.593 10.703 1.00 0.00 S ATOM 2330 CE MET S 42 18.502 8.076 11.465 1.00 0.00 C ATOM 0 H MET S 42 22.636 8.553 15.258 1.00 0.00 H new ATOM 0 HA MET S 42 19.718 8.794 14.586 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.974 7.165 13.283 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.278 6.894 12.935 1.00 0.00 H new ATOM 0 HG2 MET S 42 20.671 9.700 12.726 1.00 0.00 H new ATOM 0 HG3 MET S 42 22.062 8.976 11.944 1.00 0.00 H new ATOM 0 HE1 MET S 42 17.670 8.365 10.823 1.00 0.00 H new ATOM 0 HE2 MET S 42 18.502 6.994 11.595 1.00 0.00 H new ATOM 0 HE3 MET S 42 18.395 8.558 12.437 1.00 0.00 H new ATOM 2340 N LEU S 43 20.006 7.310 16.782 1.00 0.00 N ATOM 2341 CA LEU S 43 19.766 6.224 17.756 1.00 0.00 C ATOM 2342 C LEU S 43 18.334 5.697 17.626 1.00 0.00 C ATOM 2343 O LEU S 43 18.132 4.508 17.555 1.00 0.00 O ATOM 2344 CB LEU S 43 20.060 6.805 19.163 1.00 0.00 C ATOM 2345 CG LEU S 43 18.856 6.709 20.114 1.00 0.00 C ATOM 2346 CD1 LEU S 43 18.518 5.237 20.395 1.00 0.00 C ATOM 2347 CD2 LEU S 43 19.229 7.387 21.434 1.00 0.00 C ATOM 0 H LEU S 43 19.840 8.255 17.129 1.00 0.00 H new ATOM 0 HA LEU S 43 20.417 5.369 17.573 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.905 6.274 19.600 1.00 0.00 H new ATOM 0 HB3 LEU S 43 20.356 7.849 19.065 1.00 0.00 H new ATOM 0 HG LEU S 43 17.993 7.193 19.657 1.00 0.00 H new ATOM 0 HD11 LEU S 43 17.664 5.182 21.070 1.00 0.00 H new ATOM 0 HD12 LEU S 43 18.274 4.735 19.459 1.00 0.00 H new ATOM 0 HD13 LEU S 43 19.376 4.748 20.856 1.00 0.00 H new ATOM 0 HD21 LEU S 43 18.387 7.329 22.123 1.00 0.00 H new ATOM 0 HD22 LEU S 43 20.091 6.883 21.871 1.00 0.00 H new ATOM 0 HD23 LEU S 43 19.476 8.432 21.249 1.00 0.00 H new ATOM 2359 N THR S 44 17.385 6.602 17.557 1.00 0.00 N ATOM 2360 CA THR S 44 15.938 6.215 17.427 1.00 0.00 C ATOM 2361 C THR S 44 15.529 5.046 18.367 1.00 0.00 C ATOM 2362 O THR S 44 16.132 3.996 18.334 1.00 0.00 O ATOM 2363 CB THR S 44 15.695 5.761 15.983 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.832 4.994 15.629 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.718 6.955 15.022 1.00 0.00 C ATOM 0 H THR S 44 17.552 7.608 17.586 1.00 0.00 H new ATOM 0 HA THR S 44 15.343 7.085 17.703 1.00 0.00 H new ATOM 0 HB THR S 44 14.740 5.239 15.919 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.041 4.366 16.352 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.543 6.606 14.004 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.938 7.663 15.302 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.690 7.446 15.075 1.00 0.00 H new ATOM 2373 N PRO S 45 14.485 5.207 19.174 1.00 0.00 N ATOM 2374 CA PRO S 45 14.073 4.116 20.074 1.00 0.00 C ATOM 2375 C PRO S 45 13.748 2.847 19.282 1.00 0.00 C ATOM 2376 O PRO S 45 13.847 1.744 19.791 1.00 0.00 O ATOM 2377 CB PRO S 45 12.803 4.631 20.772 1.00 0.00 C ATOM 2378 CG PRO S 45 12.525 6.061 20.254 1.00 0.00 C ATOM 2379 CD PRO S 45 13.635 6.419 19.253 1.00 0.00 C ATOM 0 HA PRO S 45 14.864 3.859 20.778 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.958 3.977 20.559 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.937 4.636 21.854 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.547 6.111 19.775 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.512 6.771 21.081 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.220 6.674 18.278 1.00 0.00 H new ATOM 0 HD3 PRO S 45 14.208 7.282 19.591 1.00 0.00 H new ATOM 2387 N ASP S 46 13.368 3.026 18.046 1.00 0.00 N ATOM 2388 CA ASP S 46 13.037 1.842 17.213 1.00 0.00 C ATOM 2389 C ASP S 46 14.262 0.950 17.059 1.00 0.00 C ATOM 2390 O ASP S 46 14.204 -0.238 17.310 1.00 0.00 O ATOM 2391 CB ASP S 46 12.601 2.324 15.824 1.00 0.00 C ATOM 2392 CG ASP S 46 13.408 1.584 14.757 1.00 0.00 C ATOM 2393 OD1 ASP S 46 13.112 0.416 14.567 1.00 0.00 O ATOM 2394 OD2 ASP S 46 14.274 2.230 14.189 1.00 0.00 O ATOM 0 H ASP S 46 13.274 3.930 17.584 1.00 0.00 H new ATOM 0 HA ASP S 46 12.238 1.276 17.693 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.536 2.143 15.681 1.00 0.00 H new ATOM 0 HB3 ASP S 46 12.757 3.399 15.734 1.00 0.00 H new ATOM 2399 N GLU S 47 15.353 1.542 16.658 1.00 0.00 N ATOM 2400 CA GLU S 47 16.592 0.744 16.481 1.00 0.00 C ATOM 2401 C GLU S 47 17.133 0.287 17.837 1.00 0.00 C ATOM 2402 O GLU S 47 17.844 -0.696 17.925 1.00 0.00 O ATOM 2403 CB GLU S 47 17.647 1.628 15.796 1.00 0.00 C ATOM 2404 CG GLU S 47 17.241 1.891 14.340 1.00 0.00 C ATOM 2405 CD GLU S 47 18.493 2.183 13.509 1.00 0.00 C ATOM 2406 OE1 GLU S 47 19.289 1.267 13.389 1.00 0.00 O ATOM 2407 OE2 GLU S 47 18.579 3.306 13.040 1.00 0.00 O ATOM 0 H GLU S 47 15.438 2.536 16.447 1.00 0.00 H new ATOM 0 HA GLU S 47 16.370 -0.135 15.876 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.746 2.572 16.331 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.621 1.139 15.829 1.00 0.00 H new ATOM 0 HG2 GLU S 47 16.716 1.026 13.935 1.00 0.00 H new ATOM 0 HG3 GLU S 47 16.552 2.734 14.289 1.00 0.00 H new ATOM 2414 N ARG S 48 16.779 1.003 18.870 1.00 0.00 N ATOM 2415 CA ARG S 48 17.265 0.620 20.221 1.00 0.00 C ATOM 2416 C ARG S 48 16.814 -0.792 20.578 1.00 0.00 C ATOM 2417 O ARG S 48 17.603 -1.610 21.006 1.00 0.00 O ATOM 2418 CB ARG S 48 16.683 1.598 21.250 1.00 0.00 C ATOM 2419 CG ARG S 48 17.234 1.264 22.638 1.00 0.00 C ATOM 2420 CD ARG S 48 17.422 2.560 23.430 1.00 0.00 C ATOM 2421 NE ARG S 48 17.941 2.228 24.785 1.00 0.00 N ATOM 2422 CZ ARG S 48 19.227 2.237 25.000 1.00 0.00 C ATOM 2423 NH1 ARG S 48 19.974 1.361 24.385 1.00 0.00 N ATOM 2424 NH2 ARG S 48 19.725 3.122 25.819 1.00 0.00 N ATOM 0 H ARG S 48 16.180 1.828 18.836 1.00 0.00 H new ATOM 0 HA ARG S 48 18.354 0.654 20.226 1.00 0.00 H new ATOM 0 HB2 ARG S 48 16.941 2.622 20.981 1.00 0.00 H new ATOM 0 HB3 ARG S 48 15.595 1.534 21.254 1.00 0.00 H new ATOM 0 HG2 ARG S 48 16.549 0.599 23.164 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.184 0.738 22.548 1.00 0.00 H new ATOM 0 HD2 ARG S 48 18.117 3.221 22.912 1.00 0.00 H new ATOM 0 HD3 ARG S 48 16.475 3.093 23.510 1.00 0.00 H new ATOM 0 HE ARG S 48 17.295 1.995 25.540 1.00 0.00 H new ATOM 0 HH11 ARG S 48 19.550 0.686 23.749 1.00 0.00 H new ATOM 0 HH12 ARG S 48 20.982 1.352 24.540 1.00 0.00 H new ATOM 0 HH21 ARG S 48 19.110 3.793 26.280 1.00 0.00 H new ATOM 0 HH22 ARG S 48 20.729 3.143 25.998 1.00 0.00 H new ATOM 2438 N GLU S 49 15.546 -1.056 20.396 1.00 0.00 N ATOM 2439 CA GLU S 49 15.038 -2.418 20.723 1.00 0.00 C ATOM 2440 C GLU S 49 15.743 -3.486 19.886 1.00 0.00 C ATOM 2441 O GLU S 49 15.724 -4.653 20.227 1.00 0.00 O ATOM 2442 CB GLU S 49 13.537 -2.463 20.415 1.00 0.00 C ATOM 2443 CG GLU S 49 12.766 -2.715 21.710 1.00 0.00 C ATOM 2444 CD GLU S 49 11.278 -2.870 21.387 1.00 0.00 C ATOM 2445 OE1 GLU S 49 10.995 -3.052 20.214 1.00 0.00 O ATOM 2446 OE2 GLU S 49 10.508 -2.798 22.330 1.00 0.00 O ATOM 0 H GLU S 49 14.852 -0.399 20.041 1.00 0.00 H new ATOM 0 HA GLU S 49 15.231 -2.621 21.776 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.218 -1.523 19.965 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.325 -3.251 19.692 1.00 0.00 H new ATOM 0 HG2 GLU S 49 13.140 -3.614 22.201 1.00 0.00 H new ATOM 0 HG3 GLU S 49 12.916 -1.887 22.403 1.00 0.00 H new ATOM 2453 N ALA S 50 16.353 -3.070 18.809 1.00 0.00 N ATOM 2454 CA ALA S 50 17.063 -4.050 17.940 1.00 0.00 C ATOM 2455 C ALA S 50 18.560 -4.077 18.251 1.00 0.00 C ATOM 2456 O ALA S 50 19.282 -4.935 17.787 1.00 0.00 O ATOM 2457 CB ALA S 50 16.874 -3.616 16.481 1.00 0.00 C ATOM 0 H ALA S 50 16.390 -2.100 18.495 1.00 0.00 H new ATOM 0 HA ALA S 50 16.654 -5.045 18.117 1.00 0.00 H new ATOM 0 HB1 ALA S 50 17.385 -4.319 15.823 1.00 0.00 H new ATOM 0 HB2 ALA S 50 15.811 -3.602 16.240 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.291 -2.619 16.341 1.00 0.00 H new ATOM 2463 N LEU S 51 18.988 -3.130 19.036 1.00 0.00 N ATOM 2464 CA LEU S 51 20.429 -3.058 19.403 1.00 0.00 C ATOM 2465 C LEU S 51 20.877 -4.285 20.213 1.00 0.00 C ATOM 2466 O LEU S 51 21.527 -5.176 19.692 1.00 0.00 O ATOM 2467 CB LEU S 51 20.612 -1.788 20.248 1.00 0.00 C ATOM 2468 CG LEU S 51 22.058 -1.287 20.178 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.046 -2.418 20.467 1.00 0.00 C ATOM 2470 CD2 LEU S 51 22.350 -0.691 18.796 1.00 0.00 C ATOM 0 H LEU S 51 18.401 -2.401 19.441 1.00 0.00 H new ATOM 0 HA LEU S 51 21.036 -3.036 18.498 1.00 0.00 H new ATOM 0 HB2 LEU S 51 19.936 -1.010 19.893 1.00 0.00 H new ATOM 0 HB3 LEU S 51 20.344 -1.994 21.284 1.00 0.00 H new ATOM 0 HG LEU S 51 22.180 -0.515 20.938 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.065 -2.034 20.411 1.00 0.00 H new ATOM 0 HD12 LEU S 51 22.862 -2.815 21.465 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.916 -3.212 19.731 1.00 0.00 H new ATOM 0 HD21 LEU S 51 23.381 -0.339 18.762 1.00 0.00 H new ATOM 0 HD22 LEU S 51 22.201 -1.454 18.032 1.00 0.00 H new ATOM 0 HD23 LEU S 51 21.675 0.145 18.610 1.00 0.00 H new ATOM 2482 N GLY S 52 20.541 -4.310 21.474 1.00 0.00 N ATOM 2483 CA GLY S 52 20.952 -5.471 22.296 1.00 0.00 C ATOM 2484 C GLY S 52 20.620 -6.763 21.547 1.00 0.00 C ATOM 2485 O GLY S 52 21.407 -7.690 21.500 1.00 0.00 O ATOM 0 H GLY S 52 20.009 -3.588 21.959 1.00 0.00 H new ATOM 0 HA2 GLY S 52 22.021 -5.423 22.506 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.438 -5.451 23.257 1.00 0.00 H new ATOM 2489 N THR S 53 19.459 -6.792 20.956 1.00 0.00 N ATOM 2490 CA THR S 53 19.064 -8.009 20.206 1.00 0.00 C ATOM 2491 C THR S 53 20.107 -8.336 19.135 1.00 0.00 C ATOM 2492 O THR S 53 20.345 -9.486 18.828 1.00 0.00 O ATOM 2493 CB THR S 53 17.721 -7.749 19.519 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.828 -7.382 20.558 1.00 0.00 O ATOM 2495 CG2 THR S 53 17.140 -9.051 18.953 1.00 0.00 C ATOM 0 H THR S 53 18.776 -6.035 20.961 1.00 0.00 H new ATOM 0 HA THR S 53 18.988 -8.847 20.899 1.00 0.00 H new ATOM 0 HB THR S 53 17.849 -7.010 18.728 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.496 -6.474 20.399 1.00 0.00 H new ATOM 0 HG21 THR S 53 16.186 -8.843 18.469 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.833 -9.472 18.224 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.988 -9.764 19.763 1.00 0.00 H new ATOM 2503 N ARG S 54 20.716 -7.312 18.588 1.00 0.00 N ATOM 2504 CA ARG S 54 21.743 -7.553 17.539 1.00 0.00 C ATOM 2505 C ARG S 54 22.976 -8.228 18.128 1.00 0.00 C ATOM 2506 O ARG S 54 23.731 -8.871 17.429 1.00 0.00 O ATOM 2507 CB ARG S 54 22.167 -6.214 16.931 1.00 0.00 C ATOM 2508 CG ARG S 54 23.175 -6.477 15.812 1.00 0.00 C ATOM 2509 CD ARG S 54 22.963 -5.450 14.699 1.00 0.00 C ATOM 2510 NE ARG S 54 22.905 -4.089 15.302 1.00 0.00 N ATOM 2511 CZ ARG S 54 22.022 -3.233 14.867 1.00 0.00 C ATOM 2512 NH1 ARG S 54 22.241 -2.622 13.737 1.00 0.00 N ATOM 2513 NH2 ARG S 54 20.947 -3.020 15.576 1.00 0.00 N ATOM 0 H ARG S 54 20.546 -6.334 18.822 1.00 0.00 H new ATOM 0 HA ARG S 54 21.310 -8.203 16.779 1.00 0.00 H new ATOM 0 HB2 ARG S 54 21.298 -5.686 16.539 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.610 -5.576 17.696 1.00 0.00 H new ATOM 0 HG2 ARG S 54 24.192 -6.409 16.198 1.00 0.00 H new ATOM 0 HG3 ARG S 54 23.049 -7.487 15.421 1.00 0.00 H new ATOM 0 HD2 ARG S 54 23.775 -5.507 13.974 1.00 0.00 H new ATOM 0 HD3 ARG S 54 22.040 -5.663 14.160 1.00 0.00 H new ATOM 0 HE ARG S 54 23.550 -3.829 16.048 1.00 0.00 H new ATOM 0 HH11 ARG S 54 23.092 -2.816 13.209 1.00 0.00 H new ATOM 0 HH12 ARG S 54 21.562 -1.949 13.381 1.00 0.00 H new ATOM 0 HH21 ARG S 54 20.808 -3.519 16.455 1.00 0.00 H new ATOM 0 HH22 ARG S 54 20.246 -2.354 15.252 1.00 0.00 H new ATOM 2527 N VAL S 55 23.188 -8.027 19.394 1.00 0.00 N ATOM 2528 CA VAL S 55 24.375 -8.661 20.037 1.00 0.00 C ATOM 2529 C VAL S 55 24.110 -10.151 20.297 1.00 0.00 C ATOM 2530 O VAL S 55 25.016 -10.970 20.292 1.00 0.00 O ATOM 2531 CB VAL S 55 24.634 -7.942 21.381 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.057 -8.737 22.566 1.00 0.00 C ATOM 2533 CG2 VAL S 55 26.139 -7.799 21.591 1.00 0.00 C ATOM 0 H VAL S 55 22.603 -7.460 20.008 1.00 0.00 H new ATOM 0 HA VAL S 55 25.241 -8.574 19.380 1.00 0.00 H new ATOM 0 HB VAL S 55 24.147 -6.968 21.339 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.257 -8.203 23.495 1.00 0.00 H new ATOM 0 HG12 VAL S 55 22.981 -8.851 22.438 1.00 0.00 H new ATOM 0 HG13 VAL S 55 24.524 -9.721 22.606 1.00 0.00 H new ATOM 0 HG21 VAL S 55 26.328 -7.292 22.538 1.00 0.00 H new ATOM 0 HG22 VAL S 55 26.599 -8.787 21.610 1.00 0.00 H new ATOM 0 HG23 VAL S 55 26.566 -7.215 20.776 1.00 0.00 H new ATOM 2543 N ARG S 56 22.852 -10.466 20.477 1.00 0.00 N ATOM 2544 CA ARG S 56 22.455 -11.880 20.746 1.00 0.00 C ATOM 2545 C ARG S 56 22.652 -12.816 19.552 1.00 0.00 C ATOM 2546 O ARG S 56 23.316 -13.826 19.683 1.00 0.00 O ATOM 2547 CB ARG S 56 20.969 -11.883 21.122 1.00 0.00 C ATOM 2548 CG ARG S 56 20.833 -11.893 22.648 1.00 0.00 C ATOM 2549 CD ARG S 56 19.464 -11.333 23.039 1.00 0.00 C ATOM 2550 NE ARG S 56 19.623 -9.892 23.400 1.00 0.00 N ATOM 2551 CZ ARG S 56 19.161 -9.456 24.542 1.00 0.00 C ATOM 2552 NH1 ARG S 56 19.221 -10.234 25.589 1.00 0.00 N ATOM 2553 NH2 ARG S 56 18.658 -8.251 24.598 1.00 0.00 N ATOM 0 H ARG S 56 22.080 -9.800 20.449 1.00 0.00 H new ATOM 0 HA ARG S 56 23.097 -12.252 21.545 1.00 0.00 H new ATOM 0 HB2 ARG S 56 20.475 -11.004 20.707 1.00 0.00 H new ATOM 0 HB3 ARG S 56 20.476 -12.757 20.696 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.945 -12.909 23.028 1.00 0.00 H new ATOM 0 HG3 ARG S 56 21.625 -11.295 23.099 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.761 -11.441 22.213 1.00 0.00 H new ATOM 0 HD3 ARG S 56 19.054 -11.891 23.881 1.00 0.00 H new ATOM 0 HE ARG S 56 20.090 -9.251 22.758 1.00 0.00 H new ATOM 0 HH11 ARG S 56 19.624 -11.167 25.508 1.00 0.00 H new ATOM 0 HH12 ARG S 56 18.865 -9.908 26.488 1.00 0.00 H new ATOM 0 HH21 ARG S 56 18.631 -7.670 23.760 1.00 0.00 H new ATOM 0 HH22 ARG S 56 18.292 -7.892 25.480 1.00 0.00 H new ATOM 2567 N ILE S 57 22.070 -12.488 18.424 1.00 0.00 N ATOM 2568 CA ILE S 57 22.233 -13.371 17.243 1.00 0.00 C ATOM 2569 C ILE S 57 23.662 -13.874 17.146 1.00 0.00 C ATOM 2570 O ILE S 57 23.947 -14.999 17.479 1.00 0.00 O ATOM 2571 CB ILE S 57 21.926 -12.574 15.990 1.00 0.00 C ATOM 2572 CG1 ILE S 57 22.099 -11.088 16.267 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.475 -12.843 15.579 1.00 0.00 C ATOM 2574 CD1 ILE S 57 22.214 -10.329 14.942 1.00 0.00 C ATOM 0 H ILE S 57 21.498 -11.657 18.277 1.00 0.00 H new ATOM 0 HA ILE S 57 21.557 -14.220 17.344 1.00 0.00 H new ATOM 0 HB ILE S 57 22.606 -12.871 15.192 1.00 0.00 H new ATOM 0 HG12 ILE S 57 21.251 -10.713 16.840 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.991 -10.922 16.872 1.00 0.00 H new ATOM 0 HG21 ILE S 57 20.241 -12.275 14.678 1.00 0.00 H new ATOM 0 HG22 ILE S 57 20.344 -13.907 15.382 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.806 -12.538 16.384 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.338 -9.265 15.142 1.00 0.00 H new ATOM 0 HD12 ILE S 57 23.076 -10.697 14.386 1.00 0.00 H new ATOM 0 HD13 ILE S 57 21.310 -10.485 14.354 1.00 0.00 H new ATOM 2586 N VAL S 58 24.527 -13.022 16.685 1.00 0.00 N ATOM 2587 CA VAL S 58 25.956 -13.416 16.551 1.00 0.00 C ATOM 2588 C VAL S 58 26.418 -14.255 17.748 1.00 0.00 C ATOM 2589 O VAL S 58 26.794 -15.405 17.600 1.00 0.00 O ATOM 2590 CB VAL S 58 26.793 -12.134 16.509 1.00 0.00 C ATOM 2591 CG1 VAL S 58 28.160 -12.442 15.896 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.079 -11.096 15.645 1.00 0.00 C ATOM 0 H VAL S 58 24.309 -12.069 16.394 1.00 0.00 H new ATOM 0 HA VAL S 58 26.076 -14.011 15.646 1.00 0.00 H new ATOM 0 HB VAL S 58 26.922 -11.748 17.520 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.758 -11.531 15.865 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.670 -13.191 16.502 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.027 -12.824 14.884 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.671 -10.181 15.612 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.957 -11.486 14.635 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.100 -10.879 16.071 1.00 0.00 H new ATOM 2602 N GLU S 59 26.369 -13.667 18.913 1.00 0.00 N ATOM 2603 CA GLU S 59 26.803 -14.410 20.126 1.00 0.00 C ATOM 2604 C GLU S 59 26.127 -15.778 20.259 1.00 0.00 C ATOM 2605 O GLU S 59 26.750 -16.803 20.061 1.00 0.00 O ATOM 2606 CB GLU S 59 26.442 -13.575 21.359 1.00 0.00 C ATOM 2607 CG GLU S 59 26.607 -14.440 22.613 1.00 0.00 C ATOM 2608 CD GLU S 59 26.866 -13.542 23.825 1.00 0.00 C ATOM 2609 OE1 GLU S 59 27.990 -13.080 23.925 1.00 0.00 O ATOM 2610 OE2 GLU S 59 25.925 -13.370 24.583 1.00 0.00 O ATOM 0 H GLU S 59 26.050 -12.712 19.075 1.00 0.00 H new ATOM 0 HA GLU S 59 27.877 -14.578 20.042 1.00 0.00 H new ATOM 0 HB2 GLU S 59 27.085 -12.697 21.420 1.00 0.00 H new ATOM 0 HB3 GLU S 59 25.416 -13.215 21.282 1.00 0.00 H new ATOM 0 HG2 GLU S 59 25.710 -15.038 22.775 1.00 0.00 H new ATOM 0 HG3 GLU S 59 27.435 -15.137 22.480 1.00 0.00 H new ATOM 2617 N GLU S 60 24.865 -15.766 20.592 1.00 0.00 N ATOM 2618 CA GLU S 60 24.122 -17.051 20.751 1.00 0.00 C ATOM 2619 C GLU S 60 24.275 -17.993 19.550 1.00 0.00 C ATOM 2620 O GLU S 60 24.333 -19.195 19.718 1.00 0.00 O ATOM 2621 CB GLU S 60 22.635 -16.728 20.936 1.00 0.00 C ATOM 2622 CG GLU S 60 22.456 -15.893 22.212 1.00 0.00 C ATOM 2623 CD GLU S 60 21.022 -16.031 22.748 1.00 0.00 C ATOM 2624 OE1 GLU S 60 20.371 -16.982 22.349 1.00 0.00 O ATOM 2625 OE2 GLU S 60 20.660 -15.174 23.535 1.00 0.00 O ATOM 0 H GLU S 60 24.316 -14.923 20.761 1.00 0.00 H new ATOM 0 HA GLU S 60 24.541 -17.566 21.616 1.00 0.00 H new ATOM 0 HB2 GLU S 60 22.259 -16.180 20.072 1.00 0.00 H new ATOM 0 HB3 GLU S 60 22.056 -17.649 21.005 1.00 0.00 H new ATOM 0 HG2 GLU S 60 23.167 -16.220 22.971 1.00 0.00 H new ATOM 0 HG3 GLU S 60 22.673 -14.846 22.002 1.00 0.00 H new ATOM 3131 N VAL S 94 27.334 -18.853 4.871 1.00 0.00 N ATOM 3132 CA VAL S 94 28.677 -19.486 4.858 1.00 0.00 C ATOM 3133 C VAL S 94 29.757 -18.416 4.787 1.00 0.00 C ATOM 3134 O VAL S 94 30.904 -18.658 5.108 1.00 0.00 O ATOM 3135 CB VAL S 94 28.770 -20.381 3.617 1.00 0.00 C ATOM 3136 CG1 VAL S 94 29.896 -21.397 3.809 1.00 0.00 C ATOM 3137 CG2 VAL S 94 27.442 -21.120 3.441 1.00 0.00 C ATOM 0 HA VAL S 94 28.821 -20.071 5.767 1.00 0.00 H new ATOM 0 HB VAL S 94 28.977 -19.775 2.735 1.00 0.00 H new ATOM 0 HG11 VAL S 94 29.965 -22.035 2.928 1.00 0.00 H new ATOM 0 HG12 VAL S 94 30.840 -20.871 3.951 1.00 0.00 H new ATOM 0 HG13 VAL S 94 29.687 -22.010 4.686 1.00 0.00 H new ATOM 0 HG21 VAL S 94 27.496 -21.760 2.561 1.00 0.00 H new ATOM 0 HG22 VAL S 94 27.246 -21.731 4.322 1.00 0.00 H new ATOM 0 HG23 VAL S 94 26.637 -20.396 3.314 1.00 0.00 H new ATOM 3147 N GLU S 95 29.365 -17.245 4.364 1.00 0.00 N ATOM 3148 CA GLU S 95 30.346 -16.139 4.268 1.00 0.00 C ATOM 3149 C GLU S 95 30.634 -15.591 5.661 1.00 0.00 C ATOM 3150 O GLU S 95 31.738 -15.197 5.967 1.00 0.00 O ATOM 3151 CB GLU S 95 29.737 -15.030 3.400 1.00 0.00 C ATOM 3152 CG GLU S 95 29.494 -15.578 1.992 1.00 0.00 C ATOM 3153 CD GLU S 95 28.081 -15.204 1.538 1.00 0.00 C ATOM 3154 OE1 GLU S 95 27.776 -14.028 1.640 1.00 0.00 O ATOM 3155 OE2 GLU S 95 27.388 -16.116 1.118 1.00 0.00 O ATOM 0 H GLU S 95 28.413 -17.012 4.083 1.00 0.00 H new ATOM 0 HA GLU S 95 31.276 -16.498 3.827 1.00 0.00 H new ATOM 0 HB2 GLU S 95 28.800 -14.682 3.836 1.00 0.00 H new ATOM 0 HB3 GLU S 95 30.408 -14.172 3.360 1.00 0.00 H new ATOM 0 HG2 GLU S 95 30.230 -15.171 1.299 1.00 0.00 H new ATOM 0 HG3 GLU S 95 29.615 -16.661 1.985 1.00 0.00 H new ATOM 3162 N LEU S 96 29.616 -15.573 6.474 1.00 0.00 N ATOM 3163 CA LEU S 96 29.776 -15.065 7.861 1.00 0.00 C ATOM 3164 C LEU S 96 30.689 -15.987 8.667 1.00 0.00 C ATOM 3165 O LEU S 96 31.540 -15.533 9.408 1.00 0.00 O ATOM 3166 CB LEU S 96 28.380 -15.053 8.510 1.00 0.00 C ATOM 3167 CG LEU S 96 28.460 -14.558 9.966 1.00 0.00 C ATOM 3168 CD1 LEU S 96 27.874 -13.150 10.066 1.00 0.00 C ATOM 3169 CD2 LEU S 96 27.649 -15.505 10.852 1.00 0.00 C ATOM 0 H LEU S 96 28.676 -15.890 6.235 1.00 0.00 H new ATOM 0 HA LEU S 96 30.219 -14.069 7.844 1.00 0.00 H new ATOM 0 HB2 LEU S 96 27.713 -14.408 7.938 1.00 0.00 H new ATOM 0 HB3 LEU S 96 27.953 -16.056 8.485 1.00 0.00 H new ATOM 0 HG LEU S 96 29.500 -14.537 10.290 1.00 0.00 H new ATOM 0 HD11 LEU S 96 27.933 -12.804 11.098 1.00 0.00 H new ATOM 0 HD12 LEU S 96 28.439 -12.474 9.424 1.00 0.00 H new ATOM 0 HD13 LEU S 96 26.832 -13.166 9.748 1.00 0.00 H new ATOM 0 HD21 LEU S 96 27.697 -15.166 11.887 1.00 0.00 H new ATOM 0 HD22 LEU S 96 26.611 -15.513 10.521 1.00 0.00 H new ATOM 0 HD23 LEU S 96 28.061 -16.512 10.781 1.00 0.00 H new ATOM 3181 N ARG S 97 30.491 -17.265 8.512 1.00 0.00 N ATOM 3182 CA ARG S 97 31.326 -18.224 9.253 1.00 0.00 C ATOM 3183 C ARG S 97 32.810 -17.903 9.086 1.00 0.00 C ATOM 3184 O ARG S 97 33.612 -18.220 9.941 1.00 0.00 O ATOM 3185 CB ARG S 97 31.024 -19.612 8.691 1.00 0.00 C ATOM 3186 CG ARG S 97 29.543 -19.926 8.928 1.00 0.00 C ATOM 3187 CD ARG S 97 29.232 -21.336 8.418 1.00 0.00 C ATOM 3188 NE ARG S 97 29.091 -22.251 9.590 1.00 0.00 N ATOM 3189 CZ ARG S 97 28.577 -23.443 9.425 1.00 0.00 C ATOM 3190 NH1 ARG S 97 27.957 -23.722 8.311 1.00 0.00 N ATOM 3191 NH2 ARG S 97 28.705 -24.319 10.383 1.00 0.00 N ATOM 0 H ARG S 97 29.785 -17.679 7.903 1.00 0.00 H new ATOM 0 HA ARG S 97 31.102 -18.173 10.318 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.252 -19.646 7.626 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.651 -20.360 9.175 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.310 -19.852 9.990 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.919 -19.196 8.413 1.00 0.00 H new ATOM 0 HD2 ARG S 97 28.314 -21.331 7.830 1.00 0.00 H new ATOM 0 HD3 ARG S 97 30.029 -21.684 7.761 1.00 0.00 H new ATOM 0 HE ARG S 97 29.394 -21.948 10.516 1.00 0.00 H new ATOM 0 HH11 ARG S 97 27.877 -23.014 7.581 1.00 0.00 H new ATOM 0 HH12 ARG S 97 27.552 -24.648 8.171 1.00 0.00 H new ATOM 0 HH21 ARG S 97 29.198 -24.069 11.240 1.00 0.00 H new ATOM 0 HH22 ARG S 97 28.312 -25.254 10.275 1.00 0.00 H new ATOM 3205 N GLN S 98 33.146 -17.262 7.997 1.00 0.00 N ATOM 3206 CA GLN S 98 34.565 -16.918 7.771 1.00 0.00 C ATOM 3207 C GLN S 98 35.085 -16.028 8.893 1.00 0.00 C ATOM 3208 O GLN S 98 35.970 -16.415 9.629 1.00 0.00 O ATOM 3209 CB GLN S 98 34.652 -16.156 6.451 1.00 0.00 C ATOM 3210 CG GLN S 98 34.236 -17.084 5.311 1.00 0.00 C ATOM 3211 CD GLN S 98 35.401 -17.243 4.333 1.00 0.00 C ATOM 3212 OE1 GLN S 98 36.082 -16.292 4.001 1.00 0.00 O ATOM 3213 NE2 GLN S 98 35.665 -18.425 3.847 1.00 0.00 N ATOM 0 H GLN S 98 32.500 -16.967 7.265 1.00 0.00 H new ATOM 0 HA GLN S 98 35.166 -17.827 7.745 1.00 0.00 H new ATOM 0 HB2 GLN S 98 34.004 -15.280 6.479 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.668 -15.796 6.291 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.944 -18.057 5.707 1.00 0.00 H new ATOM 0 HG3 GLN S 98 33.367 -16.677 4.795 1.00 0.00 H new ATOM 0 HE21 GLN S 98 35.098 -19.227 4.121 1.00 0.00 H new ATOM 0 HE22 GLN S 98 36.438 -18.546 3.193 1.00 0.00 H new ATOM 3222 N TRP S 99 34.529 -14.849 9.012 1.00 0.00 N ATOM 3223 CA TRP S 99 35.006 -13.949 10.098 1.00 0.00 C ATOM 3224 C TRP S 99 34.648 -14.536 11.453 1.00 0.00 C ATOM 3225 O TRP S 99 35.516 -14.883 12.227 1.00 0.00 O ATOM 3226 CB TRP S 99 34.330 -12.574 9.999 1.00 0.00 C ATOM 3227 CG TRP S 99 34.762 -11.755 11.198 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.036 -11.395 11.459 1.00 0.00 C ATOM 3229 CD2 TRP S 99 33.932 -11.168 12.043 1.00 0.00 C ATOM 3230 NE1 TRP S 99 35.911 -10.555 12.476 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.644 -10.355 12.895 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.553 -11.265 12.175 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 33.996 -9.633 13.847 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 31.915 -10.534 13.138 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.641 -9.719 13.966 1.00 0.00 C ATOM 0 H TRP S 99 33.785 -14.480 8.420 1.00 0.00 H new ATOM 0 HA TRP S 99 36.086 -13.846 9.992 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.615 -12.075 9.073 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.246 -12.682 9.982 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.939 -11.714 10.960 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.711 -10.095 12.909 1.00 0.00 H new ATOM 0 HE3 TRP S 99 31.988 -11.913 11.521 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.556 -8.990 14.510 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 30.842 -10.599 13.246 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.134 -9.138 14.722 1.00 0.00 H new ATOM 3246 N LEU S 100 33.360 -14.618 11.693 1.00 0.00 N ATOM 3247 CA LEU S 100 32.842 -15.173 12.979 1.00 0.00 C ATOM 3248 C LEU S 100 33.851 -16.107 13.659 1.00 0.00 C ATOM 3249 O LEU S 100 34.216 -15.919 14.803 1.00 0.00 O ATOM 3250 CB LEU S 100 31.579 -15.968 12.630 1.00 0.00 C ATOM 3251 CG LEU S 100 30.601 -15.992 13.816 1.00 0.00 C ATOM 3252 CD1 LEU S 100 31.328 -16.497 15.070 1.00 0.00 C ATOM 3253 CD2 LEU S 100 30.027 -14.585 14.066 1.00 0.00 C ATOM 0 H LEU S 100 32.637 -14.318 11.039 1.00 0.00 H new ATOM 0 HA LEU S 100 32.647 -14.357 13.675 1.00 0.00 H new ATOM 0 HB2 LEU S 100 31.093 -15.523 11.762 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.850 -16.988 12.356 1.00 0.00 H new ATOM 0 HG LEU S 100 29.775 -16.664 13.583 1.00 0.00 H new ATOM 0 HD11 LEU S 100 30.634 -16.514 15.911 1.00 0.00 H new ATOM 0 HD12 LEU S 100 31.706 -17.504 14.891 1.00 0.00 H new ATOM 0 HD13 LEU S 100 32.161 -15.833 15.300 1.00 0.00 H new ATOM 0 HD21 LEU S 100 29.336 -14.618 14.909 1.00 0.00 H new ATOM 0 HD22 LEU S 100 30.840 -13.895 14.290 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.498 -14.245 13.176 1.00 0.00 H new ATOM 3265 N GLU S 101 34.296 -17.087 12.928 1.00 0.00 N ATOM 3266 CA GLU S 101 35.277 -18.049 13.495 1.00 0.00 C ATOM 3267 C GLU S 101 36.584 -17.377 13.933 1.00 0.00 C ATOM 3268 O GLU S 101 37.083 -17.635 15.009 1.00 0.00 O ATOM 3269 CB GLU S 101 35.604 -19.060 12.390 1.00 0.00 C ATOM 3270 CG GLU S 101 36.101 -20.369 13.004 1.00 0.00 C ATOM 3271 CD GLU S 101 37.487 -20.151 13.618 1.00 0.00 C ATOM 3272 OE1 GLU S 101 38.395 -19.923 12.835 1.00 0.00 O ATOM 3273 OE2 GLU S 101 37.560 -20.228 14.832 1.00 0.00 O ATOM 0 H GLU S 101 34.023 -17.264 11.961 1.00 0.00 H new ATOM 0 HA GLU S 101 34.838 -18.510 14.379 1.00 0.00 H new ATOM 0 HB2 GLU S 101 34.717 -19.247 11.784 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.364 -18.650 11.725 1.00 0.00 H new ATOM 0 HG2 GLU S 101 35.403 -20.713 13.768 1.00 0.00 H new ATOM 0 HG3 GLU S 101 36.148 -21.146 12.241 1.00 0.00 H new ATOM 3280 N GLU S 102 37.108 -16.525 13.096 1.00 0.00 N ATOM 3281 CA GLU S 102 38.383 -15.834 13.447 1.00 0.00 C ATOM 3282 C GLU S 102 38.232 -14.753 14.522 1.00 0.00 C ATOM 3283 O GLU S 102 39.225 -14.293 15.053 1.00 0.00 O ATOM 3284 CB GLU S 102 38.913 -15.156 12.176 1.00 0.00 C ATOM 3285 CG GLU S 102 39.032 -16.189 11.053 1.00 0.00 C ATOM 3286 CD GLU S 102 40.194 -17.135 11.357 1.00 0.00 C ATOM 3287 OE1 GLU S 102 41.304 -16.631 11.406 1.00 0.00 O ATOM 3288 OE2 GLU S 102 39.908 -18.308 11.526 1.00 0.00 O ATOM 0 H GLU S 102 36.712 -16.278 12.189 1.00 0.00 H new ATOM 0 HA GLU S 102 39.056 -16.592 13.848 1.00 0.00 H new ATOM 0 HB2 GLU S 102 38.242 -14.352 11.874 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.885 -14.703 12.372 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.104 -16.753 10.962 1.00 0.00 H new ATOM 0 HG3 GLU S 102 39.196 -15.688 10.099 1.00 0.00 H new ATOM 3295 N VAL S 103 37.020 -14.370 14.841 1.00 0.00 N ATOM 3296 CA VAL S 103 36.851 -13.310 15.885 1.00 0.00 C ATOM 3297 C VAL S 103 36.450 -13.861 17.255 1.00 0.00 C ATOM 3298 O VAL S 103 36.886 -13.345 18.264 1.00 0.00 O ATOM 3299 CB VAL S 103 35.763 -12.331 15.428 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.530 -13.106 14.973 1.00 0.00 C ATOM 3301 CG2 VAL S 103 35.384 -11.427 16.603 1.00 0.00 C ATOM 0 H VAL S 103 36.158 -14.735 14.435 1.00 0.00 H new ATOM 0 HA VAL S 103 37.821 -12.825 15.998 1.00 0.00 H new ATOM 0 HB VAL S 103 36.137 -11.731 14.599 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.759 -12.406 14.649 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.797 -13.761 14.144 1.00 0.00 H new ATOM 0 HG13 VAL S 103 34.151 -13.705 15.801 1.00 0.00 H new ATOM 0 HG21 VAL S 103 34.610 -10.727 16.288 1.00 0.00 H new ATOM 0 HG22 VAL S 103 35.009 -12.037 17.425 1.00 0.00 H new ATOM 0 HG23 VAL S 103 36.262 -10.873 16.934 1.00 0.00 H new ATOM 3311 N LEU S 104 35.638 -14.886 17.276 1.00 0.00 N ATOM 3312 CA LEU S 104 35.216 -15.454 18.594 1.00 0.00 C ATOM 3313 C LEU S 104 35.926 -16.771 18.909 1.00 0.00 C ATOM 3314 O LEU S 104 36.904 -16.790 19.630 1.00 0.00 O ATOM 3315 CB LEU S 104 33.705 -15.704 18.539 1.00 0.00 C ATOM 3316 CG LEU S 104 32.972 -14.381 18.791 1.00 0.00 C ATOM 3317 CD1 LEU S 104 31.644 -14.379 18.033 1.00 0.00 C ATOM 3318 CD2 LEU S 104 32.692 -14.227 20.287 1.00 0.00 C ATOM 0 H LEU S 104 35.253 -15.349 16.453 1.00 0.00 H new ATOM 0 HA LEU S 104 35.480 -14.744 19.377 1.00 0.00 H new ATOM 0 HB2 LEU S 104 33.426 -16.110 17.567 1.00 0.00 H new ATOM 0 HB3 LEU S 104 33.418 -16.442 19.288 1.00 0.00 H new ATOM 0 HG LEU S 104 33.594 -13.555 18.446 1.00 0.00 H new ATOM 0 HD11 LEU S 104 31.124 -13.438 18.213 1.00 0.00 H new ATOM 0 HD12 LEU S 104 31.834 -14.490 16.965 1.00 0.00 H new ATOM 0 HD13 LEU S 104 31.026 -15.207 18.380 1.00 0.00 H new ATOM 0 HD21 LEU S 104 32.171 -13.286 20.465 1.00 0.00 H new ATOM 0 HD22 LEU S 104 32.071 -15.056 20.628 1.00 0.00 H new ATOM 0 HD23 LEU S 104 33.634 -14.229 20.836 1.00 0.00 H new ATOM 3330 N LEU S 105 35.418 -17.845 18.372 1.00 0.00 N ATOM 3331 CA LEU S 105 36.057 -19.161 18.638 1.00 0.00 C ATOM 3332 C LEU S 105 37.577 -19.073 18.539 1.00 0.00 C ATOM 3333 O LEU S 105 38.276 -19.333 19.500 1.00 0.00 O ATOM 3334 CB LEU S 105 35.554 -20.167 17.598 1.00 0.00 C ATOM 3335 CG LEU S 105 35.705 -21.579 18.169 1.00 0.00 C ATOM 3336 CD1 LEU S 105 34.464 -21.923 18.996 1.00 0.00 C ATOM 3337 CD2 LEU S 105 35.838 -22.576 17.017 1.00 0.00 C ATOM 0 H LEU S 105 34.597 -17.868 17.767 1.00 0.00 H new ATOM 0 HA LEU S 105 35.796 -19.474 19.649 1.00 0.00 H new ATOM 0 HB2 LEU S 105 34.511 -19.968 17.353 1.00 0.00 H new ATOM 0 HB3 LEU S 105 36.122 -20.071 16.673 1.00 0.00 H new ATOM 0 HG LEU S 105 36.592 -21.628 18.801 1.00 0.00 H new ATOM 0 HD11 LEU S 105 34.567 -22.928 19.405 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.361 -21.208 19.812 1.00 0.00 H new ATOM 0 HD13 LEU S 105 33.579 -21.878 18.361 1.00 0.00 H new ATOM 0 HD21 LEU S 105 35.946 -23.584 17.418 1.00 0.00 H new ATOM 0 HD22 LEU S 105 34.948 -22.529 16.390 1.00 0.00 H new ATOM 0 HD23 LEU S 105 36.716 -22.327 16.420 1.00 0.00 H new