USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : R 16 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : R 17 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.2!) USER MOD Single : R 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.14) USER MOD Single : R 30 TYR OH : rot 180:sc= 0 USER MOD Single : R 31 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.86) USER MOD Single : R 32 ASN : amide:sc= -0.0926 K(o=-0.093,f=-0.77) USER MOD Single : R 35 HIS : no HD1:sc= -0.0609 K(o=-0.061,f=-5!) USER MOD Single : R 40 ASN : amide:sc= -6.32! K(o=-6.3!,f=-1.8) USER MOD Single : R 42 MET CE :methyl -177:sc= -0.165 (180deg=-0.205) USER MOD Single : R 44 THR OG1 : rot 180:sc= 0 USER MOD Single : R 53 THR OG1 : rot -168:sc= -1.05! USER MOD Single : R 98 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : S 16 HIS : no HD1:sc= 0 K(o=0,f=-0.62) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 27 LYS NZ :NH3+ 143:sc= -0.0112 (180deg=-0.365) USER MOD Single : S 28 ASN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 31 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.06) USER MOD Single : S 32 ASN : amide:sc= -0.854 K(o=-0.85,f=0) USER MOD Single : S 35 HIS : no HD1:sc= 0.118 K(o=0.12,f=-4.4!) USER MOD Single : S 40 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.5) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot 69:sc= -1.85! USER MOD Single : S 53 THR OG1 : rot -170:sc=-0.00846 USER MOD Single : S 98 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 23.526 -0.941 29.039 1.00 0.00 N ATOM 181 CA HIS R 16 24.680 -0.560 28.183 1.00 0.00 C ATOM 182 C HIS R 16 25.683 -1.706 28.112 1.00 0.00 C ATOM 183 O HIS R 16 26.854 -1.498 27.866 1.00 0.00 O ATOM 184 CB HIS R 16 25.362 0.673 28.793 1.00 0.00 C ATOM 185 CG HIS R 16 25.299 0.598 30.320 1.00 0.00 C ATOM 186 ND1 HIS R 16 24.743 1.460 31.068 1.00 0.00 N ATOM 187 CD2 HIS R 16 25.806 -0.353 31.189 1.00 0.00 C ATOM 188 CE1 HIS R 16 24.860 1.133 32.299 1.00 0.00 C ATOM 189 NE2 HIS R 16 25.522 -0.005 32.454 1.00 0.00 N ATOM 0 HA HIS R 16 24.326 -0.337 27.176 1.00 0.00 H new ATOM 0 HB2 HIS R 16 26.400 0.725 28.465 1.00 0.00 H new ATOM 0 HB3 HIS R 16 24.871 1.581 28.444 1.00 0.00 H new ATOM 0 HD2 HIS R 16 26.347 -1.240 30.894 1.00 0.00 H new ATOM 0 HE1 HIS R 16 24.465 1.717 33.118 1.00 0.00 H new ATOM 0 HE2 HIS R 16 25.757 -0.494 33.318 1.00 0.00 H new ATOM 197 N GLN R 17 25.198 -2.898 28.325 1.00 0.00 N ATOM 198 CA GLN R 17 26.098 -4.071 28.278 1.00 0.00 C ATOM 199 C GLN R 17 26.292 -4.541 26.838 1.00 0.00 C ATOM 200 O GLN R 17 27.370 -4.434 26.289 1.00 0.00 O ATOM 201 CB GLN R 17 25.446 -5.192 29.097 1.00 0.00 C ATOM 202 CG GLN R 17 26.119 -6.520 28.762 1.00 0.00 C ATOM 203 CD GLN R 17 25.979 -7.474 29.953 1.00 0.00 C ATOM 204 OE1 GLN R 17 26.785 -8.362 30.148 1.00 0.00 O ATOM 205 NE2 GLN R 17 24.974 -7.324 30.775 1.00 0.00 N ATOM 0 H GLN R 17 24.220 -3.105 28.528 1.00 0.00 H new ATOM 0 HA GLN R 17 27.074 -3.806 28.684 1.00 0.00 H new ATOM 0 HB2 GLN R 17 25.541 -4.982 30.162 1.00 0.00 H new ATOM 0 HB3 GLN R 17 24.380 -5.246 28.877 1.00 0.00 H new ATOM 0 HG2 GLN R 17 25.662 -6.958 27.875 1.00 0.00 H new ATOM 0 HG3 GLN R 17 27.172 -6.359 28.532 1.00 0.00 H new ATOM 0 HE21 GLN R 17 24.293 -6.581 30.618 1.00 0.00 H new ATOM 0 HE22 GLN R 17 24.870 -7.950 31.574 1.00 0.00 H new ATOM 214 N GLU R 18 25.243 -5.052 26.251 1.00 0.00 N ATOM 215 CA GLU R 18 25.364 -5.526 24.849 1.00 0.00 C ATOM 216 C GLU R 18 25.793 -4.378 23.938 1.00 0.00 C ATOM 217 O GLU R 18 26.407 -4.585 22.912 1.00 0.00 O ATOM 218 CB GLU R 18 23.994 -6.038 24.387 1.00 0.00 C ATOM 219 CG GLU R 18 22.898 -5.267 25.123 1.00 0.00 C ATOM 220 CD GLU R 18 21.586 -5.386 24.345 1.00 0.00 C ATOM 221 OE1 GLU R 18 20.932 -6.397 24.537 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.310 -4.456 23.603 1.00 0.00 O ATOM 0 H GLU R 18 24.322 -5.159 26.677 1.00 0.00 H new ATOM 0 HA GLU R 18 26.110 -6.319 24.799 1.00 0.00 H new ATOM 0 HB2 GLU R 18 23.887 -5.907 23.310 1.00 0.00 H new ATOM 0 HB3 GLU R 18 23.904 -7.105 24.589 1.00 0.00 H new ATOM 0 HG2 GLU R 18 22.773 -5.663 26.131 1.00 0.00 H new ATOM 0 HG3 GLU R 18 23.180 -4.219 25.224 1.00 0.00 H new ATOM 229 N TRP R 19 25.457 -3.182 24.342 1.00 0.00 N ATOM 230 CA TRP R 19 25.830 -1.996 23.526 1.00 0.00 C ATOM 231 C TRP R 19 27.309 -2.029 23.146 1.00 0.00 C ATOM 232 O TRP R 19 27.654 -1.840 22.002 1.00 0.00 O ATOM 233 CB TRP R 19 25.566 -0.741 24.365 1.00 0.00 C ATOM 234 CG TRP R 19 25.881 0.503 23.533 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.972 1.271 23.690 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.100 1.007 22.577 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.803 2.244 22.798 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.666 2.163 22.064 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.888 0.561 22.078 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.029 2.866 21.066 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.250 1.271 21.079 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.823 2.423 20.575 1.00 0.00 C ATOM 0 H TRP R 19 24.942 -2.978 25.199 1.00 0.00 H new ATOM 0 HA TRP R 19 25.240 -1.996 22.609 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.526 -0.720 24.691 1.00 0.00 H new ATOM 0 HB3 TRP R 19 26.181 -0.756 25.265 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.793 1.132 24.378 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.480 2.997 22.675 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.442 -0.341 22.469 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.476 3.765 20.669 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.303 0.925 20.692 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.323 2.977 19.794 1.00 0.00 H new ATOM 253 N LEU R 20 28.152 -2.271 24.111 1.00 0.00 N ATOM 254 CA LEU R 20 29.612 -2.317 23.808 1.00 0.00 C ATOM 255 C LEU R 20 30.029 -3.656 23.195 1.00 0.00 C ATOM 256 O LEU R 20 30.684 -3.698 22.174 1.00 0.00 O ATOM 257 CB LEU R 20 30.389 -2.143 25.123 1.00 0.00 C ATOM 258 CG LEU R 20 30.036 -0.797 25.762 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.124 -0.929 27.284 1.00 0.00 C ATOM 260 CD2 LEU R 20 31.035 0.264 25.290 1.00 0.00 C ATOM 0 H LEU R 20 27.899 -2.437 25.085 1.00 0.00 H new ATOM 0 HA LEU R 20 29.830 -1.523 23.093 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.148 -2.955 25.808 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.461 -2.195 24.932 1.00 0.00 H new ATOM 0 HG LEU R 20 29.027 -0.504 25.473 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.874 0.026 27.747 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.424 -1.692 27.624 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.137 -1.215 27.566 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.787 1.224 25.743 1.00 0.00 H new ATOM 0 HD22 LEU R 20 32.043 -0.028 25.586 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.987 0.352 24.205 1.00 0.00 H new ATOM 272 N ARG R 21 29.640 -4.724 23.834 1.00 0.00 N ATOM 273 CA ARG R 21 30.005 -6.074 23.312 1.00 0.00 C ATOM 274 C ARG R 21 29.658 -6.265 21.833 1.00 0.00 C ATOM 275 O ARG R 21 30.406 -6.883 21.111 1.00 0.00 O ATOM 276 CB ARG R 21 29.246 -7.129 24.121 1.00 0.00 C ATOM 277 CG ARG R 21 29.609 -6.992 25.600 1.00 0.00 C ATOM 278 CD ARG R 21 29.391 -8.339 26.296 1.00 0.00 C ATOM 279 NE ARG R 21 28.066 -8.884 25.891 1.00 0.00 N ATOM 280 CZ ARG R 21 27.663 -10.022 26.388 1.00 0.00 C ATOM 281 NH1 ARG R 21 27.644 -10.174 27.684 1.00 0.00 N ATOM 282 NH2 ARG R 21 27.294 -10.971 25.573 1.00 0.00 N ATOM 0 H ARG R 21 29.088 -4.723 24.691 1.00 0.00 H new ATOM 0 HA ARG R 21 31.086 -6.175 23.410 1.00 0.00 H new ATOM 0 HB2 ARG R 21 28.172 -7.004 23.986 1.00 0.00 H new ATOM 0 HB3 ARG R 21 29.498 -8.128 23.764 1.00 0.00 H new ATOM 0 HG2 ARG R 21 30.648 -6.678 25.705 1.00 0.00 H new ATOM 0 HG3 ARG R 21 28.995 -6.223 26.068 1.00 0.00 H new ATOM 0 HD2 ARG R 21 30.184 -9.036 26.024 1.00 0.00 H new ATOM 0 HD3 ARG R 21 29.432 -8.215 27.378 1.00 0.00 H new ATOM 0 HE ARG R 21 27.479 -8.373 25.232 1.00 0.00 H new ATOM 0 HH11 ARG R 21 27.941 -9.410 28.291 1.00 0.00 H new ATOM 0 HH12 ARG R 21 27.332 -11.056 28.089 1.00 0.00 H new ATOM 0 HH21 ARG R 21 27.323 -10.818 24.565 1.00 0.00 H new ATOM 0 HH22 ARG R 21 26.976 -11.867 25.944 1.00 0.00 H new ATOM 296 N PHE R 22 28.542 -5.744 21.405 1.00 0.00 N ATOM 297 CA PHE R 22 28.175 -5.920 19.968 1.00 0.00 C ATOM 298 C PHE R 22 28.998 -5.020 19.044 1.00 0.00 C ATOM 299 O PHE R 22 29.853 -5.487 18.310 1.00 0.00 O ATOM 300 CB PHE R 22 26.692 -5.568 19.804 1.00 0.00 C ATOM 301 CG PHE R 22 26.220 -5.978 18.404 1.00 0.00 C ATOM 302 CD1 PHE R 22 26.216 -7.310 18.019 1.00 0.00 C ATOM 303 CD2 PHE R 22 25.780 -5.022 17.506 1.00 0.00 C ATOM 304 CE1 PHE R 22 25.778 -7.676 16.763 1.00 0.00 C ATOM 305 CE2 PHE R 22 25.345 -5.390 16.248 1.00 0.00 C ATOM 306 CZ PHE R 22 25.343 -6.715 15.878 1.00 0.00 C ATOM 0 H PHE R 22 27.879 -5.215 21.972 1.00 0.00 H new ATOM 0 HA PHE R 22 28.378 -6.954 19.690 1.00 0.00 H new ATOM 0 HB2 PHE R 22 26.100 -6.079 20.563 1.00 0.00 H new ATOM 0 HB3 PHE R 22 26.543 -4.498 19.951 1.00 0.00 H new ATOM 0 HD1 PHE R 22 26.559 -8.068 18.708 1.00 0.00 H new ATOM 0 HD2 PHE R 22 25.777 -3.980 17.791 1.00 0.00 H new ATOM 0 HE1 PHE R 22 25.776 -8.717 16.474 1.00 0.00 H new ATOM 0 HE2 PHE R 22 25.006 -4.636 15.553 1.00 0.00 H new ATOM 0 HZ PHE R 22 25.001 -7.001 14.894 1.00 0.00 H new ATOM 316 N VAL R 23 28.715 -3.752 19.084 1.00 0.00 N ATOM 317 CA VAL R 23 29.465 -2.804 18.217 1.00 0.00 C ATOM 318 C VAL R 23 30.961 -3.115 18.207 1.00 0.00 C ATOM 319 O VAL R 23 31.667 -2.728 17.297 1.00 0.00 O ATOM 320 CB VAL R 23 29.269 -1.395 18.776 1.00 0.00 C ATOM 321 CG1 VAL R 23 27.771 -1.078 18.805 1.00 0.00 C ATOM 322 CG2 VAL R 23 29.849 -1.341 20.192 1.00 0.00 C ATOM 0 H VAL R 23 28.000 -3.330 19.677 1.00 0.00 H new ATOM 0 HA VAL R 23 29.090 -2.892 17.197 1.00 0.00 H new ATOM 0 HB VAL R 23 29.778 -0.661 18.152 1.00 0.00 H new ATOM 0 HG11 VAL R 23 27.619 -0.074 19.202 1.00 0.00 H new ATOM 0 HG12 VAL R 23 27.368 -1.133 17.794 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.258 -1.801 19.440 1.00 0.00 H new ATOM 0 HG21 VAL R 23 29.715 -0.340 20.602 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.333 -2.064 20.824 1.00 0.00 H new ATOM 0 HG23 VAL R 23 30.912 -1.581 20.159 1.00 0.00 H new ATOM 332 N ASP R 24 31.418 -3.800 19.218 1.00 0.00 N ATOM 333 CA ASP R 24 32.864 -4.137 19.271 1.00 0.00 C ATOM 334 C ASP R 24 33.228 -5.138 18.178 1.00 0.00 C ATOM 335 O ASP R 24 34.220 -4.982 17.492 1.00 0.00 O ATOM 336 CB ASP R 24 33.163 -4.771 20.635 1.00 0.00 C ATOM 337 CG ASP R 24 33.838 -3.736 21.534 1.00 0.00 C ATOM 338 OD1 ASP R 24 34.941 -3.348 21.180 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.218 -3.393 22.527 1.00 0.00 O ATOM 0 H ASP R 24 30.858 -4.137 20.001 1.00 0.00 H new ATOM 0 HA ASP R 24 33.447 -3.228 19.123 1.00 0.00 H new ATOM 0 HB2 ASP R 24 32.240 -5.123 21.096 1.00 0.00 H new ATOM 0 HB3 ASP R 24 33.810 -5.640 20.512 1.00 0.00 H new ATOM 344 N LEU R 25 32.415 -6.146 18.039 1.00 0.00 N ATOM 345 CA LEU R 25 32.691 -7.168 16.997 1.00 0.00 C ATOM 346 C LEU R 25 32.505 -6.570 15.606 1.00 0.00 C ATOM 347 O LEU R 25 33.151 -6.977 14.659 1.00 0.00 O ATOM 348 CB LEU R 25 31.702 -8.331 17.184 1.00 0.00 C ATOM 349 CG LEU R 25 31.627 -8.723 18.668 1.00 0.00 C ATOM 350 CD1 LEU R 25 30.594 -9.844 18.830 1.00 0.00 C ATOM 351 CD2 LEU R 25 33.005 -9.209 19.146 1.00 0.00 C ATOM 0 H LEU R 25 31.577 -6.305 18.598 1.00 0.00 H new ATOM 0 HA LEU R 25 33.719 -7.518 17.093 1.00 0.00 H new ATOM 0 HB2 LEU R 25 30.714 -8.041 16.826 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.018 -9.188 16.589 1.00 0.00 H new ATOM 0 HG LEU R 25 31.332 -7.861 19.266 1.00 0.00 H new ATOM 0 HD11 LEU R 25 30.531 -10.132 19.879 1.00 0.00 H new ATOM 0 HD12 LEU R 25 29.620 -9.493 18.491 1.00 0.00 H new ATOM 0 HD13 LEU R 25 30.896 -10.706 18.235 1.00 0.00 H new ATOM 0 HD21 LEU R 25 32.948 -9.486 20.199 1.00 0.00 H new ATOM 0 HD22 LEU R 25 33.309 -10.075 18.559 1.00 0.00 H new ATOM 0 HD23 LEU R 25 33.736 -8.411 19.020 1.00 0.00 H new ATOM 363 N LEU R 26 31.621 -5.615 15.509 1.00 0.00 N ATOM 364 CA LEU R 26 31.380 -4.975 14.185 1.00 0.00 C ATOM 365 C LEU R 26 32.687 -4.433 13.612 1.00 0.00 C ATOM 366 O LEU R 26 33.053 -4.731 12.493 1.00 0.00 O ATOM 367 CB LEU R 26 30.419 -3.792 14.391 1.00 0.00 C ATOM 368 CG LEU R 26 28.969 -4.173 14.031 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.794 -4.154 12.507 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.626 -5.566 14.577 1.00 0.00 C ATOM 0 H LEU R 26 31.060 -5.253 16.281 1.00 0.00 H new ATOM 0 HA LEU R 26 30.963 -5.712 13.499 1.00 0.00 H new ATOM 0 HB2 LEU R 26 30.463 -3.463 15.429 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.739 -2.951 13.776 1.00 0.00 H new ATOM 0 HG LEU R 26 28.294 -3.447 14.484 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.768 -4.424 12.255 1.00 0.00 H new ATOM 0 HD12 LEU R 26 29.010 -3.155 12.128 1.00 0.00 H new ATOM 0 HD13 LEU R 26 29.479 -4.870 12.053 1.00 0.00 H new ATOM 0 HD21 LEU R 26 27.599 -5.817 14.313 1.00 0.00 H new ATOM 0 HD22 LEU R 26 29.303 -6.303 14.145 1.00 0.00 H new ATOM 0 HD23 LEU R 26 28.733 -5.568 15.662 1.00 0.00 H new ATOM 382 N LYS R 27 33.365 -3.642 14.397 1.00 0.00 N ATOM 383 CA LYS R 27 34.652 -3.064 13.929 1.00 0.00 C ATOM 384 C LYS R 27 35.586 -4.155 13.426 1.00 0.00 C ATOM 385 O LYS R 27 36.019 -4.140 12.292 1.00 0.00 O ATOM 386 CB LYS R 27 35.344 -2.382 15.118 1.00 0.00 C ATOM 387 CG LYS R 27 34.395 -1.359 15.766 1.00 0.00 C ATOM 388 CD LYS R 27 34.870 -1.022 17.191 1.00 0.00 C ATOM 389 CE LYS R 27 36.115 -0.127 17.135 1.00 0.00 C ATOM 390 NZ LYS R 27 36.633 0.127 18.507 1.00 0.00 N ATOM 0 H LYS R 27 33.083 -3.373 15.339 1.00 0.00 H new ATOM 0 HA LYS R 27 34.441 -2.361 13.123 1.00 0.00 H new ATOM 0 HB2 LYS R 27 35.642 -3.130 15.853 1.00 0.00 H new ATOM 0 HB3 LYS R 27 36.254 -1.884 14.783 1.00 0.00 H new ATOM 0 HG2 LYS R 27 34.359 -0.452 15.163 1.00 0.00 H new ATOM 0 HG3 LYS R 27 33.382 -1.761 15.798 1.00 0.00 H new ATOM 0 HD2 LYS R 27 34.074 -0.517 17.738 1.00 0.00 H new ATOM 0 HD3 LYS R 27 35.097 -1.940 17.734 1.00 0.00 H new ATOM 0 HE2 LYS R 27 36.887 -0.604 16.530 1.00 0.00 H new ATOM 0 HE3 LYS R 27 35.870 0.818 16.651 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 37.476 0.734 18.453 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 35.900 0.601 19.072 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 36.886 -0.777 18.956 1.00 0.00 H new ATOM 404 N ASN R 28 35.876 -5.075 14.299 1.00 0.00 N ATOM 405 CA ASN R 28 36.781 -6.197 13.938 1.00 0.00 C ATOM 406 C ASN R 28 36.547 -6.687 12.503 1.00 0.00 C ATOM 407 O ASN R 28 37.467 -6.729 11.711 1.00 0.00 O ATOM 408 CB ASN R 28 36.522 -7.338 14.923 1.00 0.00 C ATOM 409 CG ASN R 28 37.139 -6.980 16.277 1.00 0.00 C ATOM 410 OD1 ASN R 28 37.410 -7.836 17.094 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.380 -5.727 16.549 1.00 0.00 N ATOM 0 H ASN R 28 35.522 -5.098 15.255 1.00 0.00 H new ATOM 0 HA ASN R 28 37.814 -5.853 13.992 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.450 -7.506 15.031 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.954 -8.265 14.546 1.00 0.00 H new ATOM 0 HD21 ASN R 28 37.794 -5.470 17.445 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.154 -5.004 15.866 1.00 0.00 H new ATOM 418 N ALA R 29 35.331 -7.047 12.191 1.00 0.00 N ATOM 419 CA ALA R 29 35.053 -7.530 10.806 1.00 0.00 C ATOM 420 C ALA R 29 35.283 -6.428 9.788 1.00 0.00 C ATOM 421 O ALA R 29 35.940 -6.640 8.789 1.00 0.00 O ATOM 422 CB ALA R 29 33.592 -7.983 10.726 1.00 0.00 C ATOM 0 H ALA R 29 34.530 -7.029 12.822 1.00 0.00 H new ATOM 0 HA ALA R 29 35.728 -8.356 10.582 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.376 -8.338 9.718 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.421 -8.789 11.440 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.937 -7.144 10.963 1.00 0.00 H new ATOM 428 N TYR R 30 34.739 -5.276 10.047 1.00 0.00 N ATOM 429 CA TYR R 30 34.937 -4.168 9.084 1.00 0.00 C ATOM 430 C TYR R 30 36.389 -4.094 8.671 1.00 0.00 C ATOM 431 O TYR R 30 36.753 -4.637 7.624 1.00 0.00 O ATOM 432 CB TYR R 30 34.585 -2.832 9.766 1.00 0.00 C ATOM 433 CG TYR R 30 33.216 -2.340 9.296 1.00 0.00 C ATOM 434 CD1 TYR R 30 33.102 -1.607 8.133 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.082 -2.593 10.042 1.00 0.00 C ATOM 436 CE1 TYR R 30 31.872 -1.132 7.722 1.00 0.00 C ATOM 437 CE2 TYR R 30 30.853 -2.119 9.631 1.00 0.00 C ATOM 438 CZ TYR R 30 30.739 -1.386 8.468 1.00 0.00 C ATOM 439 OH TYR R 30 29.508 -0.920 8.055 1.00 0.00 O ATOM 0 H TYR R 30 34.176 -5.057 10.869 1.00 0.00 H new ATOM 0 HA TYR R 30 34.303 -4.346 8.216 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.581 -2.959 10.849 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.346 -2.086 9.535 1.00 0.00 H new ATOM 0 HD1 TYR R 30 33.981 -1.403 7.540 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.158 -3.166 10.954 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.796 -0.558 6.810 1.00 0.00 H new ATOM 0 HE2 TYR R 30 29.974 -2.323 10.224 1.00 0.00 H new ATOM 0 HH TYR R 30 28.822 -1.192 8.700 1.00 0.00 H new ATOM 449 N GLN R 31 37.166 -3.562 9.614 1.00 0.00 N ATOM 450 CA GLN R 31 38.637 -3.365 9.464 1.00 0.00 C ATOM 451 C GLN R 31 39.096 -3.725 8.085 1.00 0.00 C ATOM 452 O GLN R 31 39.480 -2.875 7.306 1.00 0.00 O ATOM 453 CB GLN R 31 39.343 -4.279 10.467 1.00 0.00 C ATOM 454 CG GLN R 31 40.856 -4.083 10.338 1.00 0.00 C ATOM 455 CD GLN R 31 41.483 -3.971 11.732 1.00 0.00 C ATOM 456 OE1 GLN R 31 40.934 -3.362 12.628 1.00 0.00 O ATOM 457 NE2 GLN R 31 42.636 -4.543 11.953 1.00 0.00 N ATOM 0 H GLN R 31 36.806 -3.248 10.515 1.00 0.00 H new ATOM 0 HA GLN R 31 38.873 -2.316 9.642 1.00 0.00 H new ATOM 0 HB2 GLN R 31 39.018 -4.047 11.481 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.080 -5.320 10.278 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.296 -4.921 9.797 1.00 0.00 H new ATOM 0 HG3 GLN R 31 41.068 -3.184 9.760 1.00 0.00 H new ATOM 0 HE21 GLN R 31 43.102 -5.056 11.205 1.00 0.00 H new ATOM 0 HE22 GLN R 31 43.070 -4.477 12.874 1.00 0.00 H new ATOM 466 N ASN R 32 39.050 -4.967 7.805 1.00 0.00 N ATOM 467 CA ASN R 32 39.481 -5.384 6.474 1.00 0.00 C ATOM 468 C ASN R 32 38.308 -5.162 5.513 1.00 0.00 C ATOM 469 O ASN R 32 38.105 -4.067 5.025 1.00 0.00 O ATOM 470 CB ASN R 32 39.867 -6.872 6.570 1.00 0.00 C ATOM 471 CG ASN R 32 41.391 -6.987 6.564 1.00 0.00 C ATOM 472 OD1 ASN R 32 42.095 -6.096 7.001 1.00 0.00 O ATOM 473 ND2 ASN R 32 41.943 -8.066 6.083 1.00 0.00 N ATOM 0 H ASN R 32 38.736 -5.710 8.430 1.00 0.00 H new ATOM 0 HA ASN R 32 40.337 -4.818 6.107 1.00 0.00 H new ATOM 0 HB2 ASN R 32 39.459 -7.310 7.481 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.443 -7.427 5.733 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.959 -8.159 6.075 1.00 0.00 H new ATOM 0 HD22 ASN R 32 41.359 -8.817 5.715 1.00 0.00 H new ATOM 480 N ASP R 33 37.572 -6.192 5.263 1.00 0.00 N ATOM 481 CA ASP R 33 36.411 -6.084 4.355 1.00 0.00 C ATOM 482 C ASP R 33 35.406 -7.148 4.743 1.00 0.00 C ATOM 483 O ASP R 33 34.628 -7.588 3.918 1.00 0.00 O ATOM 484 CB ASP R 33 36.864 -6.359 2.923 1.00 0.00 C ATOM 485 CG ASP R 33 38.223 -5.701 2.677 1.00 0.00 C ATOM 486 OD1 ASP R 33 39.205 -6.347 3.003 1.00 0.00 O ATOM 487 OD2 ASP R 33 38.203 -4.591 2.171 1.00 0.00 O ATOM 0 H ASP R 33 37.726 -7.121 5.655 1.00 0.00 H new ATOM 0 HA ASP R 33 35.975 -5.088 4.425 1.00 0.00 H new ATOM 0 HB2 ASP R 33 36.933 -7.433 2.753 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.129 -5.972 2.218 1.00 0.00 H new ATOM 492 N LEU R 34 35.424 -7.548 5.987 1.00 0.00 N ATOM 493 CA LEU R 34 34.463 -8.609 6.388 1.00 0.00 C ATOM 494 C LEU R 34 33.107 -8.109 6.866 1.00 0.00 C ATOM 495 O LEU R 34 32.311 -8.889 7.345 1.00 0.00 O ATOM 496 CB LEU R 34 35.120 -9.422 7.494 1.00 0.00 C ATOM 497 CG LEU R 34 36.512 -9.886 7.016 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.565 -9.425 8.028 1.00 0.00 C ATOM 499 CD2 LEU R 34 36.561 -11.412 6.898 1.00 0.00 C ATOM 0 H LEU R 34 36.042 -7.198 6.720 1.00 0.00 H new ATOM 0 HA LEU R 34 34.246 -9.197 5.496 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.213 -8.821 8.399 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.502 -10.284 7.746 1.00 0.00 H new ATOM 0 HG LEU R 34 36.712 -9.453 6.036 1.00 0.00 H new ATOM 0 HD11 LEU R 34 38.552 -9.748 7.699 1.00 0.00 H new ATOM 0 HD12 LEU R 34 37.546 -8.338 8.103 1.00 0.00 H new ATOM 0 HD13 LEU R 34 37.347 -9.860 9.003 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.551 -11.719 6.560 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.355 -11.859 7.871 1.00 0.00 H new ATOM 0 HD23 LEU R 34 35.812 -11.746 6.180 1.00 0.00 H new ATOM 511 N HIS R 35 32.847 -6.850 6.734 1.00 0.00 N ATOM 512 CA HIS R 35 31.518 -6.364 7.200 1.00 0.00 C ATOM 513 C HIS R 35 30.377 -6.860 6.303 1.00 0.00 C ATOM 514 O HIS R 35 29.372 -7.319 6.790 1.00 0.00 O ATOM 515 CB HIS R 35 31.486 -4.830 7.180 1.00 0.00 C ATOM 516 CG HIS R 35 31.984 -4.320 5.824 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.160 -4.465 5.368 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.305 -3.627 4.837 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.262 -3.932 4.207 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.128 -3.384 3.807 1.00 0.00 N ATOM 0 H HIS R 35 33.471 -6.148 6.337 1.00 0.00 H new ATOM 0 HA HIS R 35 31.377 -6.752 8.209 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.471 -4.476 7.362 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.111 -4.433 7.980 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.269 -3.327 4.889 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.170 -3.931 3.623 1.00 0.00 H new ATOM 0 HE2 HIS R 35 31.929 -2.898 2.933 1.00 0.00 H new ATOM 528 N LEU R 36 30.573 -6.802 5.011 1.00 0.00 N ATOM 529 CA LEU R 36 29.494 -7.262 4.073 1.00 0.00 C ATOM 530 C LEU R 36 28.708 -8.513 4.520 1.00 0.00 C ATOM 531 O LEU R 36 27.502 -8.448 4.641 1.00 0.00 O ATOM 532 CB LEU R 36 30.079 -7.519 2.680 1.00 0.00 C ATOM 533 CG LEU R 36 29.445 -6.524 1.698 1.00 0.00 C ATOM 534 CD1 LEU R 36 29.862 -5.094 2.064 1.00 0.00 C ATOM 535 CD2 LEU R 36 29.914 -6.840 0.277 1.00 0.00 C ATOM 0 H LEU R 36 31.424 -6.460 4.564 1.00 0.00 H new ATOM 0 HA LEU R 36 28.774 -6.444 4.067 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.162 -7.399 2.695 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.876 -8.543 2.366 1.00 0.00 H new ATOM 0 HG LEU R 36 28.360 -6.609 1.754 1.00 0.00 H new ATOM 0 HD11 LEU R 36 29.409 -4.392 1.364 1.00 0.00 H new ATOM 0 HD12 LEU R 36 29.526 -4.865 3.075 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.947 -5.007 2.013 1.00 0.00 H new ATOM 0 HD21 LEU R 36 29.464 -6.133 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU R 36 31.000 -6.759 0.226 1.00 0.00 H new ATOM 0 HD23 LEU R 36 29.613 -7.853 0.011 1.00 0.00 H new ATOM 547 N PRO R 37 29.371 -9.632 4.759 1.00 0.00 N ATOM 548 CA PRO R 37 28.656 -10.855 5.183 1.00 0.00 C ATOM 549 C PRO R 37 27.722 -10.628 6.378 1.00 0.00 C ATOM 550 O PRO R 37 26.520 -10.635 6.224 1.00 0.00 O ATOM 551 CB PRO R 37 29.762 -11.852 5.549 1.00 0.00 C ATOM 552 CG PRO R 37 31.123 -11.142 5.336 1.00 0.00 C ATOM 553 CD PRO R 37 30.841 -9.781 4.683 1.00 0.00 C ATOM 0 HA PRO R 37 28.005 -11.210 4.384 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.657 -12.177 6.584 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.694 -12.744 4.927 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.639 -11.011 6.287 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.773 -11.744 4.701 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.350 -8.974 5.211 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.190 -9.756 3.651 1.00 0.00 H new ATOM 561 N LEU R 38 28.268 -10.457 7.550 1.00 0.00 N ATOM 562 CA LEU R 38 27.368 -10.236 8.719 1.00 0.00 C ATOM 563 C LEU R 38 26.519 -9.004 8.489 1.00 0.00 C ATOM 564 O LEU R 38 25.365 -8.955 8.871 1.00 0.00 O ATOM 565 CB LEU R 38 28.208 -10.041 9.983 1.00 0.00 C ATOM 566 CG LEU R 38 29.366 -9.087 9.691 1.00 0.00 C ATOM 567 CD1 LEU R 38 29.430 -8.032 10.793 1.00 0.00 C ATOM 568 CD2 LEU R 38 30.667 -9.874 9.674 1.00 0.00 C ATOM 0 H LEU R 38 29.269 -10.460 7.748 1.00 0.00 H new ATOM 0 HA LEU R 38 26.720 -11.105 8.839 1.00 0.00 H new ATOM 0 HB2 LEU R 38 27.588 -9.641 10.785 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.593 -11.001 10.327 1.00 0.00 H new ATOM 0 HG LEU R 38 29.216 -8.604 8.725 1.00 0.00 H new ATOM 0 HD11 LEU R 38 30.254 -7.347 10.593 1.00 0.00 H new ATOM 0 HD12 LEU R 38 28.493 -7.476 10.819 1.00 0.00 H new ATOM 0 HD13 LEU R 38 29.589 -8.520 11.755 1.00 0.00 H new ATOM 0 HD21 LEU R 38 31.498 -9.199 9.466 1.00 0.00 H new ATOM 0 HD22 LEU R 38 30.818 -10.348 10.644 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.619 -10.640 8.900 1.00 0.00 H new ATOM 580 N LEU R 39 27.104 -8.024 7.871 1.00 0.00 N ATOM 581 CA LEU R 39 26.324 -6.783 7.610 1.00 0.00 C ATOM 582 C LEU R 39 25.083 -7.142 6.803 1.00 0.00 C ATOM 583 O LEU R 39 24.027 -6.569 6.987 1.00 0.00 O ATOM 584 CB LEU R 39 27.186 -5.807 6.794 1.00 0.00 C ATOM 585 CG LEU R 39 26.370 -4.565 6.411 1.00 0.00 C ATOM 586 CD1 LEU R 39 25.879 -3.861 7.671 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.264 -3.608 5.617 1.00 0.00 C ATOM 0 H LEU R 39 28.069 -8.023 7.540 1.00 0.00 H new ATOM 0 HA LEU R 39 26.036 -6.320 8.554 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.060 -5.511 7.374 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.553 -6.301 5.894 1.00 0.00 H new ATOM 0 HG LEU R 39 25.513 -4.865 5.808 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.300 -2.980 7.393 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.251 -4.541 8.247 1.00 0.00 H new ATOM 0 HD13 LEU R 39 26.734 -3.558 8.275 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.693 -2.722 5.340 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.116 -3.314 6.230 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.620 -4.106 4.715 1.00 0.00 H new ATOM 599 N ASN R 40 25.239 -8.091 5.916 1.00 0.00 N ATOM 600 CA ASN R 40 24.083 -8.500 5.089 1.00 0.00 C ATOM 601 C ASN R 40 22.988 -9.079 5.979 1.00 0.00 C ATOM 602 O ASN R 40 21.819 -8.912 5.706 1.00 0.00 O ATOM 603 CB ASN R 40 24.550 -9.567 4.088 1.00 0.00 C ATOM 604 CG ASN R 40 24.468 -9.007 2.667 1.00 0.00 C ATOM 605 OD1 ASN R 40 25.380 -9.152 1.878 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.400 -8.358 2.299 1.00 0.00 N ATOM 0 H ASN R 40 26.110 -8.591 5.735 1.00 0.00 H new ATOM 0 HA ASN R 40 23.685 -7.636 4.557 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.573 -9.868 4.313 1.00 0.00 H new ATOM 0 HB3 ASN R 40 23.929 -10.459 4.175 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.335 -7.977 1.355 1.00 0.00 H new ATOM 0 HD22 ASN R 40 22.629 -8.231 2.955 1.00 0.00 H new ATOM 613 N LEU R 41 23.385 -9.752 7.032 1.00 0.00 N ATOM 614 CA LEU R 41 22.358 -10.334 7.935 1.00 0.00 C ATOM 615 C LEU R 41 21.328 -9.257 8.259 1.00 0.00 C ATOM 616 O LEU R 41 20.157 -9.529 8.429 1.00 0.00 O ATOM 617 CB LEU R 41 23.042 -10.787 9.244 1.00 0.00 C ATOM 618 CG LEU R 41 22.411 -12.090 9.762 1.00 0.00 C ATOM 619 CD1 LEU R 41 20.911 -11.877 10.018 1.00 0.00 C ATOM 620 CD2 LEU R 41 22.621 -13.218 8.741 1.00 0.00 C ATOM 0 H LEU R 41 24.356 -9.918 7.297 1.00 0.00 H new ATOM 0 HA LEU R 41 21.873 -11.185 7.457 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.108 -10.937 9.071 1.00 0.00 H new ATOM 0 HB3 LEU R 41 22.948 -10.006 9.999 1.00 0.00 H new ATOM 0 HG LEU R 41 22.892 -12.372 10.698 1.00 0.00 H new ATOM 0 HD11 LEU R 41 20.469 -12.804 10.385 1.00 0.00 H new ATOM 0 HD12 LEU R 41 20.777 -11.092 10.762 1.00 0.00 H new ATOM 0 HD13 LEU R 41 20.421 -11.585 9.089 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.171 -14.137 9.116 1.00 0.00 H new ATOM 0 HD22 LEU R 41 22.153 -12.945 7.795 1.00 0.00 H new ATOM 0 HD23 LEU R 41 23.689 -13.374 8.586 1.00 0.00 H new ATOM 632 N MET R 42 21.800 -8.042 8.328 1.00 0.00 N ATOM 633 CA MET R 42 20.882 -6.913 8.635 1.00 0.00 C ATOM 634 C MET R 42 20.176 -6.417 7.369 1.00 0.00 C ATOM 635 O MET R 42 19.825 -5.260 7.271 1.00 0.00 O ATOM 636 CB MET R 42 21.712 -5.756 9.209 1.00 0.00 C ATOM 637 CG MET R 42 22.392 -6.210 10.503 1.00 0.00 C ATOM 638 SD MET R 42 24.127 -5.756 10.743 1.00 0.00 S ATOM 639 CE MET R 42 24.084 -5.642 12.550 1.00 0.00 C ATOM 0 H MET R 42 22.777 -7.785 8.186 1.00 0.00 H new ATOM 0 HA MET R 42 20.130 -7.256 9.346 1.00 0.00 H new ATOM 0 HB2 MET R 42 22.461 -5.437 8.484 1.00 0.00 H new ATOM 0 HB3 MET R 42 21.071 -4.896 9.404 1.00 0.00 H new ATOM 0 HG2 MET R 42 21.821 -5.809 11.341 1.00 0.00 H new ATOM 0 HG3 MET R 42 22.319 -7.296 10.558 1.00 0.00 H new ATOM 0 HE1 MET R 42 25.057 -5.316 12.917 1.00 0.00 H new ATOM 0 HE2 MET R 42 23.323 -4.923 12.851 1.00 0.00 H new ATOM 0 HE3 MET R 42 23.847 -6.619 12.971 1.00 0.00 H new ATOM 649 N LEU R 43 19.983 -7.301 6.424 1.00 0.00 N ATOM 650 CA LEU R 43 19.304 -6.892 5.164 1.00 0.00 C ATOM 651 C LEU R 43 17.837 -6.549 5.405 1.00 0.00 C ATOM 652 O LEU R 43 17.125 -6.183 4.491 1.00 0.00 O ATOM 653 CB LEU R 43 19.359 -8.073 4.189 1.00 0.00 C ATOM 654 CG LEU R 43 20.328 -7.754 3.046 1.00 0.00 C ATOM 655 CD1 LEU R 43 20.697 -9.061 2.335 1.00 0.00 C ATOM 656 CD2 LEU R 43 19.660 -6.800 2.041 1.00 0.00 C ATOM 0 H LEU R 43 20.265 -8.280 6.472 1.00 0.00 H new ATOM 0 HA LEU R 43 19.808 -6.010 4.768 1.00 0.00 H new ATOM 0 HB2 LEU R 43 19.682 -8.974 4.711 1.00 0.00 H new ATOM 0 HB3 LEU R 43 18.365 -8.275 3.790 1.00 0.00 H new ATOM 0 HG LEU R 43 21.222 -7.277 3.448 1.00 0.00 H new ATOM 0 HD11 LEU R 43 21.387 -8.849 1.518 1.00 0.00 H new ATOM 0 HD12 LEU R 43 21.172 -9.739 3.044 1.00 0.00 H new ATOM 0 HD13 LEU R 43 19.795 -9.526 1.937 1.00 0.00 H new ATOM 0 HD21 LEU R 43 20.356 -6.579 1.232 1.00 0.00 H new ATOM 0 HD22 LEU R 43 18.766 -7.270 1.632 1.00 0.00 H new ATOM 0 HD23 LEU R 43 19.384 -5.874 2.546 1.00 0.00 H new ATOM 668 N THR R 44 17.408 -6.675 6.627 1.00 0.00 N ATOM 669 CA THR R 44 15.990 -6.359 6.928 1.00 0.00 C ATOM 670 C THR R 44 15.607 -5.002 6.302 1.00 0.00 C ATOM 671 O THR R 44 16.444 -4.134 6.176 1.00 0.00 O ATOM 672 CB THR R 44 15.849 -6.308 8.460 1.00 0.00 C ATOM 673 OG1 THR R 44 14.847 -7.259 8.771 1.00 0.00 O ATOM 674 CG2 THR R 44 15.272 -4.971 8.963 1.00 0.00 C ATOM 0 H THR R 44 17.971 -6.980 7.421 1.00 0.00 H new ATOM 0 HA THR R 44 15.325 -7.115 6.510 1.00 0.00 H new ATOM 0 HB THR R 44 16.831 -6.470 8.905 1.00 0.00 H new ATOM 0 HG1 THR R 44 14.706 -7.280 9.741 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.196 -4.994 10.050 1.00 0.00 H new ATOM 0 HG22 THR R 44 15.929 -4.155 8.662 1.00 0.00 H new ATOM 0 HG23 THR R 44 14.282 -4.817 8.533 1.00 0.00 H new ATOM 682 N PRO R 45 14.357 -4.832 5.906 1.00 0.00 N ATOM 683 CA PRO R 45 13.925 -3.559 5.302 1.00 0.00 C ATOM 684 C PRO R 45 14.220 -2.377 6.225 1.00 0.00 C ATOM 685 O PRO R 45 14.715 -1.353 5.796 1.00 0.00 O ATOM 686 CB PRO R 45 12.402 -3.704 5.126 1.00 0.00 C ATOM 687 CG PRO R 45 12.004 -5.125 5.599 1.00 0.00 C ATOM 688 CD PRO R 45 13.290 -5.852 6.021 1.00 0.00 C ATOM 0 HA PRO R 45 14.449 -3.367 4.365 1.00 0.00 H new ATOM 0 HB2 PRO R 45 11.876 -2.947 5.708 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.122 -3.556 4.083 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.305 -5.069 6.433 1.00 0.00 H new ATOM 0 HG3 PRO R 45 11.502 -5.668 4.798 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.214 -6.231 7.040 1.00 0.00 H new ATOM 0 HD3 PRO R 45 13.490 -6.708 5.376 1.00 0.00 H new ATOM 696 N ASP R 46 13.909 -2.549 7.480 1.00 0.00 N ATOM 697 CA ASP R 46 14.153 -1.463 8.464 1.00 0.00 C ATOM 698 C ASP R 46 15.642 -1.171 8.643 1.00 0.00 C ATOM 699 O ASP R 46 16.008 -0.356 9.464 1.00 0.00 O ATOM 700 CB ASP R 46 13.579 -1.912 9.812 1.00 0.00 C ATOM 701 CG ASP R 46 13.159 -0.682 10.621 1.00 0.00 C ATOM 702 OD1 ASP R 46 14.064 0.012 11.057 1.00 0.00 O ATOM 703 OD2 ASP R 46 11.959 -0.509 10.757 1.00 0.00 O ATOM 0 H ASP R 46 13.495 -3.398 7.865 1.00 0.00 H new ATOM 0 HA ASP R 46 13.677 -0.553 8.099 1.00 0.00 H new ATOM 0 HB2 ASP R 46 12.722 -2.567 9.655 1.00 0.00 H new ATOM 0 HB3 ASP R 46 14.323 -2.487 10.363 1.00 0.00 H new ATOM 708 N GLU R 47 16.470 -1.841 7.878 1.00 0.00 N ATOM 709 CA GLU R 47 17.939 -1.608 7.999 1.00 0.00 C ATOM 710 C GLU R 47 18.504 -0.996 6.720 1.00 0.00 C ATOM 711 O GLU R 47 19.230 -0.024 6.767 1.00 0.00 O ATOM 712 CB GLU R 47 18.629 -2.952 8.256 1.00 0.00 C ATOM 713 CG GLU R 47 18.633 -3.226 9.760 1.00 0.00 C ATOM 714 CD GLU R 47 19.767 -2.437 10.417 1.00 0.00 C ATOM 715 OE1 GLU R 47 20.273 -1.554 9.744 1.00 0.00 O ATOM 716 OE2 GLU R 47 20.062 -2.762 11.555 1.00 0.00 O ATOM 0 H GLU R 47 16.193 -2.533 7.182 1.00 0.00 H new ATOM 0 HA GLU R 47 18.119 -0.916 8.822 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.107 -3.751 7.729 1.00 0.00 H new ATOM 0 HB3 GLU R 47 19.650 -2.931 7.874 1.00 0.00 H new ATOM 0 HG2 GLU R 47 17.676 -2.939 10.196 1.00 0.00 H new ATOM 0 HG3 GLU R 47 18.761 -4.292 9.946 1.00 0.00 H new ATOM 723 N ARG R 48 18.169 -1.573 5.598 1.00 0.00 N ATOM 724 CA ARG R 48 18.692 -1.018 4.324 1.00 0.00 C ATOM 725 C ARG R 48 18.026 0.320 4.024 1.00 0.00 C ATOM 726 O ARG R 48 18.692 1.305 3.774 1.00 0.00 O ATOM 727 CB ARG R 48 18.377 -1.998 3.187 1.00 0.00 C ATOM 728 CG ARG R 48 19.187 -1.596 1.950 1.00 0.00 C ATOM 729 CD ARG R 48 19.037 -2.675 0.876 1.00 0.00 C ATOM 730 NE ARG R 48 19.536 -2.135 -0.421 1.00 0.00 N ATOM 731 CZ ARG R 48 19.276 -2.779 -1.526 1.00 0.00 C ATOM 732 NH1 ARG R 48 18.035 -2.903 -1.907 1.00 0.00 N ATOM 733 NH2 ARG R 48 20.267 -3.275 -2.214 1.00 0.00 N ATOM 0 H ARG R 48 17.566 -2.391 5.511 1.00 0.00 H new ATOM 0 HA ARG R 48 19.769 -0.872 4.411 1.00 0.00 H new ATOM 0 HB2 ARG R 48 18.626 -3.016 3.487 1.00 0.00 H new ATOM 0 HB3 ARG R 48 17.311 -1.984 2.961 1.00 0.00 H new ATOM 0 HG2 ARG R 48 18.838 -0.636 1.569 1.00 0.00 H new ATOM 0 HG3 ARG R 48 20.237 -1.472 2.213 1.00 0.00 H new ATOM 0 HD2 ARG R 48 19.599 -3.566 1.155 1.00 0.00 H new ATOM 0 HD3 ARG R 48 17.993 -2.973 0.784 1.00 0.00 H new ATOM 0 HE ARG R 48 20.076 -1.270 -0.445 1.00 0.00 H new ATOM 0 HH11 ARG R 48 17.286 -2.500 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG R 48 17.813 -3.403 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG R 48 21.225 -3.156 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG R 48 20.083 -3.781 -3.080 1.00 0.00 H new ATOM 747 N GLU R 49 16.723 0.333 4.055 1.00 0.00 N ATOM 748 CA GLU R 49 16.015 1.605 3.775 1.00 0.00 C ATOM 749 C GLU R 49 16.376 2.623 4.852 1.00 0.00 C ATOM 750 O GLU R 49 16.023 3.781 4.765 1.00 0.00 O ATOM 751 CB GLU R 49 14.506 1.339 3.810 1.00 0.00 C ATOM 752 CG GLU R 49 13.786 2.414 2.992 1.00 0.00 C ATOM 753 CD GLU R 49 13.628 1.929 1.550 1.00 0.00 C ATOM 754 OE1 GLU R 49 14.648 1.581 0.980 1.00 0.00 O ATOM 755 OE2 GLU R 49 12.492 1.929 1.100 1.00 0.00 O ATOM 0 H GLU R 49 16.128 -0.470 4.259 1.00 0.00 H new ATOM 0 HA GLU R 49 16.303 1.993 2.798 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.289 0.351 3.405 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.147 1.347 4.839 1.00 0.00 H new ATOM 0 HG2 GLU R 49 12.809 2.624 3.426 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.352 3.345 3.015 1.00 0.00 H new ATOM 762 N ALA R 50 17.078 2.151 5.849 1.00 0.00 N ATOM 763 CA ALA R 50 17.490 3.046 6.960 1.00 0.00 C ATOM 764 C ALA R 50 18.966 3.417 6.827 1.00 0.00 C ATOM 765 O ALA R 50 19.383 4.472 7.263 1.00 0.00 O ATOM 766 CB ALA R 50 17.280 2.299 8.284 1.00 0.00 C ATOM 0 H ALA R 50 17.382 1.182 5.938 1.00 0.00 H new ATOM 0 HA ALA R 50 16.895 3.959 6.930 1.00 0.00 H new ATOM 0 HB1 ALA R 50 17.577 2.940 9.114 1.00 0.00 H new ATOM 0 HB2 ALA R 50 16.228 2.033 8.389 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.886 1.393 8.290 1.00 0.00 H new ATOM 772 N LEU R 51 19.734 2.544 6.226 1.00 0.00 N ATOM 773 CA LEU R 51 21.182 2.844 6.063 1.00 0.00 C ATOM 774 C LEU R 51 21.364 4.061 5.160 1.00 0.00 C ATOM 775 O LEU R 51 22.032 5.013 5.518 1.00 0.00 O ATOM 776 CB LEU R 51 21.871 1.633 5.410 1.00 0.00 C ATOM 777 CG LEU R 51 23.394 1.842 5.412 1.00 0.00 C ATOM 778 CD1 LEU R 51 24.090 0.528 5.779 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.849 2.269 4.015 1.00 0.00 C ATOM 0 H LEU R 51 19.424 1.649 5.847 1.00 0.00 H new ATOM 0 HA LEU R 51 21.620 3.050 7.040 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.618 0.722 5.953 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.513 1.505 4.388 1.00 0.00 H new ATOM 0 HG LEU R 51 23.651 2.612 6.139 1.00 0.00 H new ATOM 0 HD11 LEU R 51 25.170 0.676 5.780 1.00 0.00 H new ATOM 0 HD12 LEU R 51 23.766 0.209 6.770 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.830 -0.238 5.048 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.929 2.418 4.014 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.589 1.493 3.295 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.354 3.200 3.740 1.00 0.00 H new ATOM 791 N GLY R 52 20.762 4.003 4.001 1.00 0.00 N ATOM 792 CA GLY R 52 20.886 5.147 3.057 1.00 0.00 C ATOM 793 C GLY R 52 20.374 6.426 3.726 1.00 0.00 C ATOM 794 O GLY R 52 20.934 7.491 3.551 1.00 0.00 O ATOM 0 H GLY R 52 20.196 3.221 3.672 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.927 5.273 2.758 1.00 0.00 H new ATOM 0 HA3 GLY R 52 20.316 4.946 2.150 1.00 0.00 H new ATOM 798 N THR R 53 19.313 6.290 4.480 1.00 0.00 N ATOM 799 CA THR R 53 18.749 7.480 5.172 1.00 0.00 C ATOM 800 C THR R 53 19.755 8.022 6.181 1.00 0.00 C ATOM 801 O THR R 53 19.837 9.213 6.410 1.00 0.00 O ATOM 802 CB THR R 53 17.481 7.050 5.918 1.00 0.00 C ATOM 803 OG1 THR R 53 17.118 5.802 5.353 1.00 0.00 O ATOM 804 CG2 THR R 53 16.308 7.978 5.584 1.00 0.00 C ATOM 0 H THR R 53 18.819 5.413 4.644 1.00 0.00 H new ATOM 0 HA THR R 53 18.522 8.256 4.441 1.00 0.00 H new ATOM 0 HB THR R 53 17.670 7.045 6.991 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.216 5.558 5.650 1.00 0.00 H new ATOM 0 HG21 THR R 53 15.420 7.652 6.126 1.00 0.00 H new ATOM 0 HG22 THR R 53 16.557 8.998 5.876 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.112 7.945 4.512 1.00 0.00 H new ATOM 812 N ARG R 54 20.503 7.127 6.767 1.00 0.00 N ATOM 813 CA ARG R 54 21.518 7.548 7.768 1.00 0.00 C ATOM 814 C ARG R 54 22.684 8.251 7.086 1.00 0.00 C ATOM 815 O ARG R 54 23.410 9.004 7.702 1.00 0.00 O ATOM 816 CB ARG R 54 22.037 6.288 8.462 1.00 0.00 C ATOM 817 CG ARG R 54 23.038 6.689 9.544 1.00 0.00 C ATOM 818 CD ARG R 54 23.188 5.540 10.546 1.00 0.00 C ATOM 819 NE ARG R 54 24.030 5.994 11.686 1.00 0.00 N ATOM 820 CZ ARG R 54 24.050 5.288 12.782 1.00 0.00 C ATOM 821 NH1 ARG R 54 22.937 4.765 13.216 1.00 0.00 N ATOM 822 NH2 ARG R 54 25.182 5.125 13.410 1.00 0.00 N ATOM 0 H ARG R 54 20.453 6.123 6.594 1.00 0.00 H new ATOM 0 HA ARG R 54 21.067 8.238 8.481 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.209 5.734 8.903 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.512 5.628 7.736 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.003 6.923 9.094 1.00 0.00 H new ATOM 0 HG3 ARG R 54 22.698 7.590 10.055 1.00 0.00 H new ATOM 0 HD2 ARG R 54 22.208 5.224 10.905 1.00 0.00 H new ATOM 0 HD3 ARG R 54 23.644 4.676 10.062 1.00 0.00 H new ATOM 0 HE ARG R 54 24.585 6.847 11.611 1.00 0.00 H new ATOM 0 HH11 ARG R 54 22.069 4.911 12.700 1.00 0.00 H new ATOM 0 HH12 ARG R 54 22.934 4.210 14.072 1.00 0.00 H new ATOM 0 HH21 ARG R 54 26.035 5.547 13.042 1.00 0.00 H new ATOM 0 HH22 ARG R 54 25.214 4.575 14.269 1.00 0.00 H new ATOM 836 N VAL R 55 22.851 7.970 5.830 1.00 0.00 N ATOM 837 CA VAL R 55 23.960 8.606 5.075 1.00 0.00 C ATOM 838 C VAL R 55 23.545 9.999 4.580 1.00 0.00 C ATOM 839 O VAL R 55 24.373 10.874 4.402 1.00 0.00 O ATOM 840 CB VAL R 55 24.269 7.728 3.853 1.00 0.00 C ATOM 841 CG1 VAL R 55 24.929 8.579 2.764 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.226 6.603 4.263 1.00 0.00 C ATOM 0 H VAL R 55 22.269 7.328 5.292 1.00 0.00 H new ATOM 0 HA VAL R 55 24.830 8.705 5.724 1.00 0.00 H new ATOM 0 HB VAL R 55 23.342 7.301 3.471 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.148 7.955 1.897 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.254 9.383 2.471 1.00 0.00 H new ATOM 0 HG13 VAL R 55 25.856 9.006 3.147 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.446 5.979 3.397 1.00 0.00 H new ATOM 0 HG22 VAL R 55 26.152 7.034 4.645 1.00 0.00 H new ATOM 0 HG23 VAL R 55 24.762 5.995 5.039 1.00 0.00 H new ATOM 852 N ARG R 56 22.261 10.171 4.383 1.00 0.00 N ATOM 853 CA ARG R 56 21.748 11.486 3.898 1.00 0.00 C ATOM 854 C ARG R 56 22.003 12.616 4.891 1.00 0.00 C ATOM 855 O ARG R 56 22.606 13.608 4.541 1.00 0.00 O ATOM 856 CB ARG R 56 20.235 11.366 3.677 1.00 0.00 C ATOM 857 CG ARG R 56 19.962 11.210 2.177 1.00 0.00 C ATOM 858 CD ARG R 56 18.476 10.909 1.961 1.00 0.00 C ATOM 859 NE ARG R 56 18.247 9.446 2.128 1.00 0.00 N ATOM 860 CZ ARG R 56 17.371 8.840 1.372 1.00 0.00 C ATOM 861 NH1 ARG R 56 16.119 8.830 1.741 1.00 0.00 N ATOM 862 NH2 ARG R 56 17.778 8.267 0.271 1.00 0.00 N ATOM 0 H ARG R 56 21.548 9.458 4.537 1.00 0.00 H new ATOM 0 HA ARG R 56 22.276 11.729 2.976 1.00 0.00 H new ATOM 0 HB2 ARG R 56 19.841 10.508 4.223 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.727 12.250 4.063 1.00 0.00 H new ATOM 0 HG2 ARG R 56 20.241 12.122 1.648 1.00 0.00 H new ATOM 0 HG3 ARG R 56 20.571 10.405 1.767 1.00 0.00 H new ATOM 0 HD2 ARG R 56 17.871 11.468 2.675 1.00 0.00 H new ATOM 0 HD3 ARG R 56 18.169 11.227 0.965 1.00 0.00 H new ATOM 0 HE ARG R 56 18.771 8.921 2.828 1.00 0.00 H new ATOM 0 HH11 ARG R 56 15.839 9.290 2.607 1.00 0.00 H new ATOM 0 HH12 ARG R 56 15.421 8.362 1.163 1.00 0.00 H new ATOM 0 HH21 ARG R 56 18.765 8.298 0.015 1.00 0.00 H new ATOM 0 HH22 ARG R 56 17.109 7.789 -0.332 1.00 0.00 H new ATOM 876 N ILE R 57 21.527 12.462 6.102 1.00 0.00 N ATOM 877 CA ILE R 57 21.741 13.527 7.114 1.00 0.00 C ATOM 878 C ILE R 57 23.156 14.063 7.020 1.00 0.00 C ATOM 879 O ILE R 57 23.375 15.142 6.510 1.00 0.00 O ATOM 880 CB ILE R 57 21.543 12.935 8.499 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.655 11.418 8.433 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.146 13.317 8.999 1.00 0.00 C ATOM 883 CD1 ILE R 57 21.665 10.842 9.851 1.00 0.00 C ATOM 0 H ILE R 57 21.004 11.649 6.426 1.00 0.00 H new ATOM 0 HA ILE R 57 21.033 14.336 6.934 1.00 0.00 H new ATOM 0 HB ILE R 57 22.305 13.320 9.176 1.00 0.00 H new ATOM 0 HG12 ILE R 57 20.819 11.006 7.868 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.566 11.133 7.907 1.00 0.00 H new ATOM 0 HG21 ILE R 57 19.988 12.899 9.993 1.00 0.00 H new ATOM 0 HG22 ILE R 57 20.060 14.403 9.044 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.394 12.922 8.316 1.00 0.00 H new ATOM 0 HD11 ILE R 57 21.745 9.756 9.802 1.00 0.00 H new ATOM 0 HD12 ILE R 57 22.516 11.244 10.401 1.00 0.00 H new ATOM 0 HD13 ILE R 57 20.741 11.115 10.361 1.00 0.00 H new ATOM 895 N VAL R 58 24.085 13.298 7.536 1.00 0.00 N ATOM 896 CA VAL R 58 25.515 13.732 7.492 1.00 0.00 C ATOM 897 C VAL R 58 25.809 14.505 6.202 1.00 0.00 C ATOM 898 O VAL R 58 26.122 15.687 6.229 1.00 0.00 O ATOM 899 CB VAL R 58 26.397 12.475 7.507 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.865 12.889 7.446 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.151 11.694 8.799 1.00 0.00 C ATOM 0 H VAL R 58 23.917 12.397 7.983 1.00 0.00 H new ATOM 0 HA VAL R 58 25.718 14.376 8.348 1.00 0.00 H new ATOM 0 HB VAL R 58 26.152 11.850 6.649 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.495 11.999 7.456 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.047 13.451 6.530 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.103 13.512 8.308 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.777 10.802 8.810 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.398 12.321 9.656 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.102 11.402 8.854 1.00 0.00 H new ATOM 911 N GLU R 59 25.679 13.823 5.094 1.00 0.00 N ATOM 912 CA GLU R 59 25.942 14.482 3.789 1.00 0.00 C ATOM 913 C GLU R 59 25.248 15.840 3.688 1.00 0.00 C ATOM 914 O GLU R 59 25.834 16.805 3.239 1.00 0.00 O ATOM 915 CB GLU R 59 25.413 13.575 2.671 1.00 0.00 C ATOM 916 CG GLU R 59 25.737 14.205 1.314 1.00 0.00 C ATOM 917 CD GLU R 59 26.457 13.177 0.436 1.00 0.00 C ATOM 918 OE1 GLU R 59 25.879 12.116 0.260 1.00 0.00 O ATOM 919 OE2 GLU R 59 27.541 13.511 -0.010 1.00 0.00 O ATOM 0 H GLU R 59 25.403 12.843 5.040 1.00 0.00 H new ATOM 0 HA GLU R 59 27.016 14.643 3.697 1.00 0.00 H new ATOM 0 HB2 GLU R 59 25.866 12.586 2.744 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.336 13.440 2.775 1.00 0.00 H new ATOM 0 HG2 GLU R 59 24.820 14.538 0.827 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.364 15.086 1.450 1.00 0.00 H new ATOM 926 N GLU R 60 24.014 15.895 4.106 1.00 0.00 N ATOM 927 CA GLU R 60 23.281 17.187 4.033 1.00 0.00 C ATOM 928 C GLU R 60 23.854 18.194 5.028 1.00 0.00 C ATOM 929 O GLU R 60 24.238 19.286 4.657 1.00 0.00 O ATOM 930 CB GLU R 60 21.811 16.933 4.376 1.00 0.00 C ATOM 931 CG GLU R 60 21.042 18.252 4.272 1.00 0.00 C ATOM 932 CD GLU R 60 19.540 17.965 4.291 1.00 0.00 C ATOM 933 OE1 GLU R 60 19.014 17.765 3.210 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.003 17.961 5.387 1.00 0.00 O ATOM 0 H GLU R 60 23.487 15.111 4.490 1.00 0.00 H new ATOM 0 HA GLU R 60 23.381 17.595 3.027 1.00 0.00 H new ATOM 0 HB2 GLU R 60 21.387 16.195 3.695 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.724 16.524 5.383 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.309 18.908 5.101 1.00 0.00 H new ATOM 0 HG3 GLU R 60 21.313 18.772 3.353 1.00 0.00 H new ATOM 941 N LEU R 61 23.896 17.805 6.275 1.00 0.00 N ATOM 942 CA LEU R 61 24.438 18.720 7.312 1.00 0.00 C ATOM 943 C LEU R 61 25.703 19.419 6.816 1.00 0.00 C ATOM 944 O LEU R 61 26.101 20.431 7.355 1.00 0.00 O ATOM 945 CB LEU R 61 24.770 17.888 8.556 1.00 0.00 C ATOM 946 CG LEU R 61 23.490 17.699 9.375 1.00 0.00 C ATOM 947 CD1 LEU R 61 23.583 16.392 10.164 1.00 0.00 C ATOM 948 CD2 LEU R 61 23.340 18.867 10.352 1.00 0.00 C ATOM 0 H LEU R 61 23.579 16.897 6.616 1.00 0.00 H new ATOM 0 HA LEU R 61 23.697 19.485 7.542 1.00 0.00 H new ATOM 0 HB2 LEU R 61 25.179 16.920 8.265 1.00 0.00 H new ATOM 0 HB3 LEU R 61 25.531 18.389 9.154 1.00 0.00 H new ATOM 0 HG LEU R 61 22.629 17.664 8.707 1.00 0.00 H new ATOM 0 HD11 LEU R 61 22.673 16.254 10.748 1.00 0.00 H new ATOM 0 HD12 LEU R 61 23.700 15.557 9.473 1.00 0.00 H new ATOM 0 HD13 LEU R 61 24.442 16.432 10.834 1.00 0.00 H new ATOM 0 HD21 LEU R 61 22.430 18.737 10.938 1.00 0.00 H new ATOM 0 HD22 LEU R 61 24.201 18.895 11.020 1.00 0.00 H new ATOM 0 HD23 LEU R 61 23.283 19.802 9.795 1.00 0.00 H new ATOM 1426 N PRO R 93 25.792 18.261 20.361 1.00 0.00 N ATOM 1427 CA PRO R 93 26.349 17.864 19.058 1.00 0.00 C ATOM 1428 C PRO R 93 27.804 18.304 18.919 1.00 0.00 C ATOM 1429 O PRO R 93 28.482 17.912 17.993 1.00 0.00 O ATOM 1430 CB PRO R 93 25.492 18.608 18.025 1.00 0.00 C ATOM 1431 CG PRO R 93 24.554 19.566 18.797 1.00 0.00 C ATOM 1432 CD PRO R 93 24.786 19.341 20.297 1.00 0.00 C ATOM 0 HA PRO R 93 26.332 16.781 18.932 1.00 0.00 H new ATOM 0 HB2 PRO R 93 26.124 19.166 17.334 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.913 17.903 17.429 1.00 0.00 H new ATOM 0 HG2 PRO R 93 24.762 20.602 18.529 1.00 0.00 H new ATOM 0 HG3 PRO R 93 23.513 19.372 18.538 1.00 0.00 H new ATOM 0 HD2 PRO R 93 25.147 20.248 20.783 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.864 19.054 20.802 1.00 0.00 H new ATOM 1440 N VAL R 94 28.253 19.124 19.829 1.00 0.00 N ATOM 1441 CA VAL R 94 29.664 19.586 19.745 1.00 0.00 C ATOM 1442 C VAL R 94 30.602 18.386 19.824 1.00 0.00 C ATOM 1443 O VAL R 94 31.777 18.486 19.528 1.00 0.00 O ATOM 1444 CB VAL R 94 29.962 20.526 20.924 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.393 21.890 20.381 1.00 0.00 C ATOM 1446 CG2 VAL R 94 28.706 20.702 21.780 1.00 0.00 C ATOM 0 H VAL R 94 27.713 19.488 20.614 1.00 0.00 H new ATOM 0 HA VAL R 94 29.815 20.110 18.801 1.00 0.00 H new ATOM 0 HB VAL R 94 30.757 20.098 21.534 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.606 22.562 21.212 1.00 0.00 H new ATOM 0 HG12 VAL R 94 31.289 21.772 19.771 1.00 0.00 H new ATOM 0 HG13 VAL R 94 29.592 22.309 19.772 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.924 21.369 22.614 1.00 0.00 H new ATOM 0 HG22 VAL R 94 27.908 21.130 21.172 1.00 0.00 H new ATOM 0 HG23 VAL R 94 28.389 19.733 22.165 1.00 0.00 H new ATOM 1456 N GLU R 95 30.056 17.269 20.218 1.00 0.00 N ATOM 1457 CA GLU R 95 30.892 16.042 20.327 1.00 0.00 C ATOM 1458 C GLU R 95 30.986 15.338 18.976 1.00 0.00 C ATOM 1459 O GLU R 95 31.747 14.404 18.809 1.00 0.00 O ATOM 1460 CB GLU R 95 30.230 15.097 21.338 1.00 0.00 C ATOM 1461 CG GLU R 95 30.201 15.772 22.713 1.00 0.00 C ATOM 1462 CD GLU R 95 30.239 14.703 23.808 1.00 0.00 C ATOM 1463 OE1 GLU R 95 31.263 14.044 23.884 1.00 0.00 O ATOM 1464 OE2 GLU R 95 29.245 14.608 24.509 1.00 0.00 O ATOM 0 H GLU R 95 29.074 17.153 20.468 1.00 0.00 H new ATOM 0 HA GLU R 95 31.897 16.315 20.650 1.00 0.00 H new ATOM 0 HB2 GLU R 95 29.217 14.854 21.017 1.00 0.00 H new ATOM 0 HB3 GLU R 95 30.781 14.158 21.392 1.00 0.00 H new ATOM 0 HG2 GLU R 95 31.052 16.445 22.817 1.00 0.00 H new ATOM 0 HG3 GLU R 95 29.301 16.378 22.813 1.00 0.00 H new ATOM 1471 N LEU R 96 30.209 15.806 18.040 1.00 0.00 N ATOM 1472 CA LEU R 96 30.225 15.194 16.687 1.00 0.00 C ATOM 1473 C LEU R 96 31.141 15.985 15.766 1.00 0.00 C ATOM 1474 O LEU R 96 31.893 15.423 14.997 1.00 0.00 O ATOM 1475 CB LEU R 96 28.791 15.215 16.130 1.00 0.00 C ATOM 1476 CG LEU R 96 28.786 14.762 14.662 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.522 13.425 14.533 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.338 14.573 14.205 1.00 0.00 C ATOM 0 H LEU R 96 29.563 16.587 18.156 1.00 0.00 H new ATOM 0 HA LEU R 96 30.594 14.170 16.748 1.00 0.00 H new ATOM 0 HB2 LEU R 96 28.153 14.559 16.723 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.377 16.220 16.210 1.00 0.00 H new ATOM 0 HG LEU R 96 29.282 15.514 14.048 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.517 13.106 13.491 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.551 13.542 14.872 1.00 0.00 H new ATOM 0 HD13 LEU R 96 29.022 12.674 15.145 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.324 14.251 13.164 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.857 13.817 14.825 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.800 15.516 14.301 1.00 0.00 H new ATOM 1490 N ARG R 97 31.074 17.279 15.871 1.00 0.00 N ATOM 1491 CA ARG R 97 31.928 18.111 15.015 1.00 0.00 C ATOM 1492 C ARG R 97 33.375 17.662 15.153 1.00 0.00 C ATOM 1493 O ARG R 97 34.188 17.902 14.289 1.00 0.00 O ATOM 1494 CB ARG R 97 31.794 19.553 15.505 1.00 0.00 C ATOM 1495 CG ARG R 97 30.326 19.980 15.428 1.00 0.00 C ATOM 1496 CD ARG R 97 30.199 21.426 15.912 1.00 0.00 C ATOM 1497 NE ARG R 97 30.378 22.345 14.753 1.00 0.00 N ATOM 1498 CZ ARG R 97 31.585 22.688 14.392 1.00 0.00 C ATOM 1499 NH1 ARG R 97 32.284 23.461 15.179 1.00 0.00 N ATOM 1500 NH2 ARG R 97 32.054 22.243 13.258 1.00 0.00 N ATOM 0 H ARG R 97 30.465 17.787 16.512 1.00 0.00 H new ATOM 0 HA ARG R 97 31.632 18.026 13.969 1.00 0.00 H new ATOM 0 HB2 ARG R 97 32.155 19.636 16.530 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.409 20.215 14.896 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.962 19.893 14.404 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.710 19.323 16.042 1.00 0.00 H new ATOM 0 HD2 ARG R 97 29.223 21.585 16.371 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.948 21.634 16.676 1.00 0.00 H new ATOM 0 HE ARG R 97 29.567 22.702 14.248 1.00 0.00 H new ATOM 0 HH11 ARG R 97 31.885 23.787 16.060 1.00 0.00 H new ATOM 0 HH12 ARG R 97 33.229 23.739 14.913 1.00 0.00 H new ATOM 0 HH21 ARG R 97 31.480 21.638 12.671 1.00 0.00 H new ATOM 0 HH22 ARG R 97 32.995 22.500 12.959 1.00 0.00 H new ATOM 1514 N GLN R 98 33.653 16.993 16.240 1.00 0.00 N ATOM 1515 CA GLN R 98 35.027 16.507 16.479 1.00 0.00 C ATOM 1516 C GLN R 98 35.473 15.563 15.374 1.00 0.00 C ATOM 1517 O GLN R 98 36.379 15.866 14.620 1.00 0.00 O ATOM 1518 CB GLN R 98 35.012 15.724 17.792 1.00 0.00 C ATOM 1519 CG GLN R 98 34.777 16.678 18.961 1.00 0.00 C ATOM 1520 CD GLN R 98 35.288 16.024 20.247 1.00 0.00 C ATOM 1521 OE1 GLN R 98 35.070 14.854 20.490 1.00 0.00 O ATOM 1522 NE2 GLN R 98 35.972 16.742 21.093 1.00 0.00 N ATOM 0 H GLN R 98 32.979 16.765 16.971 1.00 0.00 H new ATOM 0 HA GLN R 98 35.710 17.356 16.511 1.00 0.00 H new ATOM 0 HB2 GLN R 98 34.228 14.967 17.765 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.958 15.199 17.924 1.00 0.00 H new ATOM 0 HG2 GLN R 98 35.294 17.622 18.787 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.715 16.908 19.052 1.00 0.00 H new ATOM 0 HE21 GLN R 98 36.158 17.725 20.894 1.00 0.00 H new ATOM 0 HE22 GLN R 98 36.321 16.321 21.954 1.00 0.00 H new ATOM 1531 N TRP R 99 34.829 14.430 15.297 1.00 0.00 N ATOM 1532 CA TRP R 99 35.222 13.468 14.237 1.00 0.00 C ATOM 1533 C TRP R 99 34.788 13.945 12.862 1.00 0.00 C ATOM 1534 O TRP R 99 35.583 14.082 11.957 1.00 0.00 O ATOM 1535 CB TRP R 99 34.552 12.102 14.442 1.00 0.00 C ATOM 1536 CG TRP R 99 35.146 11.208 13.391 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.445 10.868 13.335 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.472 10.649 12.402 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.507 10.075 12.280 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.333 9.884 11.648 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.129 10.712 12.052 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.873 9.189 10.581 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.679 10.003 10.969 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.556 9.242 10.242 1.00 0.00 C ATOM 0 H TRP R 99 34.066 14.136 15.907 1.00 0.00 H new ATOM 0 HA TRP R 99 36.307 13.388 14.301 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.745 11.715 15.443 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.470 12.174 14.332 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.246 11.170 13.994 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.376 9.641 11.968 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.444 11.316 12.629 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.555 8.589 9.996 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.637 10.044 10.690 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.199 8.679 9.392 1.00 0.00 H new ATOM 1555 N LEU R 100 33.515 14.145 12.733 1.00 0.00 N ATOM 1556 CA LEU R 100 32.955 14.611 11.442 1.00 0.00 C ATOM 1557 C LEU R 100 33.856 15.639 10.753 1.00 0.00 C ATOM 1558 O LEU R 100 33.892 15.709 9.540 1.00 0.00 O ATOM 1559 CB LEU R 100 31.603 15.239 11.731 1.00 0.00 C ATOM 1560 CG LEU R 100 30.650 14.909 10.588 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.036 13.527 10.823 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.542 15.949 10.564 1.00 0.00 C ATOM 0 H LEU R 100 32.829 14.004 13.475 1.00 0.00 H new ATOM 0 HA LEU R 100 32.871 13.759 10.767 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.206 14.862 12.673 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.704 16.319 11.837 1.00 0.00 H new ATOM 0 HG LEU R 100 31.189 14.911 9.641 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.354 13.288 10.007 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.828 12.779 10.864 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.488 13.528 11.765 1.00 0.00 H new ATOM 0 HD21 LEU R 100 28.851 15.726 9.751 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.004 15.930 11.512 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.974 16.938 10.412 1.00 0.00 H new ATOM 1574 N GLU R 101 34.557 16.427 11.522 1.00 0.00 N ATOM 1575 CA GLU R 101 35.440 17.433 10.891 1.00 0.00 C ATOM 1576 C GLU R 101 36.620 16.744 10.212 1.00 0.00 C ATOM 1577 O GLU R 101 37.102 17.181 9.186 1.00 0.00 O ATOM 1578 CB GLU R 101 35.976 18.343 11.995 1.00 0.00 C ATOM 1579 CG GLU R 101 35.047 19.549 12.147 1.00 0.00 C ATOM 1580 CD GLU R 101 35.411 20.598 11.096 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.566 20.992 11.102 1.00 0.00 O ATOM 1582 OE2 GLU R 101 34.516 20.948 10.345 1.00 0.00 O ATOM 0 H GLU R 101 34.554 16.415 12.542 1.00 0.00 H new ATOM 0 HA GLU R 101 34.882 18.000 10.146 1.00 0.00 H new ATOM 0 HB2 GLU R 101 36.038 17.796 12.936 1.00 0.00 H new ATOM 0 HB3 GLU R 101 36.985 18.675 11.752 1.00 0.00 H new ATOM 0 HG2 GLU R 101 34.008 19.241 12.026 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.140 19.971 13.148 1.00 0.00 H new ATOM 1589 N GLU R 102 37.059 15.677 10.817 1.00 0.00 N ATOM 1590 CA GLU R 102 38.205 14.914 10.258 1.00 0.00 C ATOM 1591 C GLU R 102 37.791 14.003 9.098 1.00 0.00 C ATOM 1592 O GLU R 102 38.628 13.594 8.317 1.00 0.00 O ATOM 1593 CB GLU R 102 38.768 14.037 11.389 1.00 0.00 C ATOM 1594 CG GLU R 102 38.964 14.897 12.639 1.00 0.00 C ATOM 1595 CD GLU R 102 39.700 14.083 13.707 1.00 0.00 C ATOM 1596 OE1 GLU R 102 40.398 13.169 13.302 1.00 0.00 O ATOM 1597 OE2 GLU R 102 39.523 14.423 14.866 1.00 0.00 O ATOM 0 H GLU R 102 36.669 15.299 11.681 1.00 0.00 H new ATOM 0 HA GLU R 102 38.939 15.622 9.873 1.00 0.00 H new ATOM 0 HB2 GLU R 102 38.086 13.214 11.602 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.716 13.594 11.085 1.00 0.00 H new ATOM 0 HG2 GLU R 102 39.534 15.793 12.392 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.998 15.229 13.020 1.00 0.00 H new ATOM 1604 N VAL R 103 36.517 13.705 8.996 1.00 0.00 N ATOM 1605 CA VAL R 103 36.065 12.814 7.881 1.00 0.00 C ATOM 1606 C VAL R 103 35.465 13.578 6.699 1.00 0.00 C ATOM 1607 O VAL R 103 35.513 13.101 5.583 1.00 0.00 O ATOM 1608 CB VAL R 103 34.995 11.859 8.431 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.615 12.523 8.363 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.974 10.589 7.578 1.00 0.00 C ATOM 0 H VAL R 103 35.783 14.033 9.624 1.00 0.00 H new ATOM 0 HA VAL R 103 36.944 12.286 7.512 1.00 0.00 H new ATOM 0 HB VAL R 103 35.230 11.616 9.467 1.00 0.00 H new ATOM 0 HG11 VAL R 103 32.862 11.839 8.755 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.621 13.436 8.958 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.379 12.767 7.327 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.217 9.905 7.962 1.00 0.00 H new ATOM 0 HG22 VAL R 103 34.739 10.848 6.546 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.951 10.108 7.618 1.00 0.00 H new ATOM 1620 N LEU R 104 34.924 14.743 6.949 1.00 0.00 N ATOM 1621 CA LEU R 104 34.322 15.520 5.824 1.00 0.00 C ATOM 1622 C LEU R 104 35.203 16.681 5.366 1.00 0.00 C ATOM 1623 O LEU R 104 35.203 17.021 4.200 1.00 0.00 O ATOM 1624 CB LEU R 104 32.971 16.071 6.295 1.00 0.00 C ATOM 1625 CG LEU R 104 31.854 15.163 5.759 1.00 0.00 C ATOM 1626 CD1 LEU R 104 30.522 15.567 6.390 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.745 15.299 4.234 1.00 0.00 C ATOM 0 H LEU R 104 34.873 15.184 7.867 1.00 0.00 H new ATOM 0 HA LEU R 104 34.212 14.849 4.972 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.937 16.109 7.384 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.833 17.091 5.936 1.00 0.00 H new ATOM 0 HG LEU R 104 32.090 14.129 6.013 1.00 0.00 H new ATOM 0 HD11 LEU R 104 29.729 14.923 6.010 1.00 0.00 H new ATOM 0 HD12 LEU R 104 30.586 15.463 7.473 1.00 0.00 H new ATOM 0 HD13 LEU R 104 30.299 16.604 6.138 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.950 14.650 3.867 1.00 0.00 H new ATOM 0 HD22 LEU R 104 31.518 16.333 3.976 1.00 0.00 H new ATOM 0 HD23 LEU R 104 32.690 15.010 3.774 1.00 0.00 H new ATOM 1639 N LEU R 105 35.935 17.267 6.273 1.00 0.00 N ATOM 1640 CA LEU R 105 36.806 18.403 5.863 1.00 0.00 C ATOM 1641 C LEU R 105 38.204 17.914 5.477 1.00 0.00 C ATOM 1642 O LEU R 105 38.568 17.939 4.317 1.00 0.00 O ATOM 1643 CB LEU R 105 36.909 19.393 7.031 1.00 0.00 C ATOM 1644 CG LEU R 105 36.861 20.819 6.477 1.00 0.00 C ATOM 1645 CD1 LEU R 105 37.001 21.812 7.633 1.00 0.00 C ATOM 1646 CD2 LEU R 105 38.018 21.020 5.494 1.00 0.00 C ATOM 0 H LEU R 105 35.968 17.015 7.261 1.00 0.00 H new ATOM 0 HA LEU R 105 36.367 18.889 4.992 1.00 0.00 H new ATOM 0 HB2 LEU R 105 36.091 19.234 7.734 1.00 0.00 H new ATOM 0 HB3 LEU R 105 37.837 19.233 7.580 1.00 0.00 H new ATOM 0 HG LEU R 105 35.913 20.983 5.964 1.00 0.00 H new ATOM 0 HD11 LEU R 105 36.968 22.830 7.244 1.00 0.00 H new ATOM 0 HD12 LEU R 105 36.183 21.666 8.339 1.00 0.00 H new ATOM 0 HD13 LEU R 105 37.952 21.648 8.140 1.00 0.00 H new ATOM 0 HD21 LEU R 105 37.987 22.035 5.098 1.00 0.00 H new ATOM 0 HD22 LEU R 105 38.965 20.861 6.009 1.00 0.00 H new ATOM 0 HD23 LEU R 105 37.927 20.307 4.674 1.00 0.00 H new ATOM 1871 N HIS S 16 23.621 0.097 -5.546 1.00 0.00 N ATOM 1872 CA HIS S 16 24.865 -0.117 -4.762 1.00 0.00 C ATOM 1873 C HIS S 16 25.923 0.925 -5.134 1.00 0.00 C ATOM 1874 O HIS S 16 26.906 0.620 -5.780 1.00 0.00 O ATOM 1875 CB HIS S 16 25.395 -1.527 -5.061 1.00 0.00 C ATOM 1876 CG HIS S 16 24.891 -2.486 -3.981 1.00 0.00 C ATOM 1877 ND1 HIS S 16 25.254 -2.464 -2.766 1.00 0.00 N ATOM 1878 CD2 HIS S 16 23.985 -3.529 -4.063 1.00 0.00 C ATOM 1879 CE1 HIS S 16 24.667 -3.385 -2.101 1.00 0.00 C ATOM 1880 NE2 HIS S 16 23.845 -4.101 -2.855 1.00 0.00 N ATOM 0 HA HIS S 16 24.646 -0.014 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS S 16 25.058 -1.856 -6.044 1.00 0.00 H new ATOM 0 HB3 HIS S 16 26.485 -1.523 -5.083 1.00 0.00 H new ATOM 0 HD2 HIS S 16 23.469 -3.836 -4.961 1.00 0.00 H new ATOM 0 HE1 HIS S 16 24.823 -3.559 -1.047 1.00 0.00 H new ATOM 0 HE2 HIS S 16 23.255 -4.888 -2.586 1.00 0.00 H new ATOM 1888 N GLN S 17 25.682 2.144 -4.722 1.00 0.00 N ATOM 1889 CA GLN S 17 26.644 3.240 -5.024 1.00 0.00 C ATOM 1890 C GLN S 17 27.158 3.856 -3.725 1.00 0.00 C ATOM 1891 O GLN S 17 28.314 4.215 -3.622 1.00 0.00 O ATOM 1892 CB GLN S 17 25.918 4.324 -5.839 1.00 0.00 C ATOM 1893 CG GLN S 17 24.494 4.504 -5.303 1.00 0.00 C ATOM 1894 CD GLN S 17 23.816 5.658 -6.050 1.00 0.00 C ATOM 1895 OE1 GLN S 17 24.154 6.810 -5.873 1.00 0.00 O ATOM 1896 NE2 GLN S 17 22.857 5.388 -6.895 1.00 0.00 N ATOM 0 H GLN S 17 24.859 2.425 -4.189 1.00 0.00 H new ATOM 0 HA GLN S 17 27.486 2.839 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.463 5.266 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN S 17 25.888 4.043 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN S 17 23.924 3.584 -5.436 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.519 4.712 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN S 17 22.569 4.422 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN S 17 22.396 6.144 -7.402 1.00 0.00 H new ATOM 1905 N GLU S 18 26.283 3.958 -2.758 1.00 0.00 N ATOM 1906 CA GLU S 18 26.687 4.544 -1.452 1.00 0.00 C ATOM 1907 C GLU S 18 26.906 3.436 -0.424 1.00 0.00 C ATOM 1908 O GLU S 18 27.692 3.572 0.491 1.00 0.00 O ATOM 1909 CB GLU S 18 25.550 5.450 -0.959 1.00 0.00 C ATOM 1910 CG GLU S 18 24.337 4.583 -0.606 1.00 0.00 C ATOM 1911 CD GLU S 18 23.072 5.444 -0.613 1.00 0.00 C ATOM 1912 OE1 GLU S 18 22.480 5.528 -1.675 1.00 0.00 O ATOM 1913 OE2 GLU S 18 22.770 5.971 0.446 1.00 0.00 O ATOM 0 H GLU S 18 25.309 3.661 -2.819 1.00 0.00 H new ATOM 0 HA GLU S 18 27.612 5.107 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU S 18 25.873 6.018 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU S 18 25.284 6.173 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU S 18 24.239 3.768 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU S 18 24.475 4.129 0.375 1.00 0.00 H new ATOM 1920 N TRP S 19 26.199 2.354 -0.609 1.00 0.00 N ATOM 1921 CA TRP S 19 26.327 1.203 0.327 1.00 0.00 C ATOM 1922 C TRP S 19 27.788 0.881 0.654 1.00 0.00 C ATOM 1923 O TRP S 19 28.054 0.180 1.607 1.00 0.00 O ATOM 1924 CB TRP S 19 25.703 -0.016 -0.349 1.00 0.00 C ATOM 1925 CG TRP S 19 25.937 -1.239 0.530 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.961 -2.094 0.388 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.158 -1.614 1.544 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.760 -2.987 1.352 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.664 -2.766 2.116 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.993 -1.056 2.049 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.018 -3.357 3.172 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.345 -1.660 3.108 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.860 -2.811 3.668 1.00 0.00 C ATOM 0 H TRP S 19 25.536 2.218 -1.372 1.00 0.00 H new ATOM 0 HA TRP S 19 25.827 1.459 1.261 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.635 0.142 -0.500 1.00 0.00 H new ATOM 0 HB3 TRP S 19 26.145 -0.169 -1.334 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.760 -2.064 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.384 -3.779 1.505 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.594 -0.151 1.615 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.422 -4.255 3.615 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.434 -1.231 3.498 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.352 -3.282 4.496 1.00 0.00 H new ATOM 1944 N LEU S 20 28.703 1.390 -0.138 1.00 0.00 N ATOM 1945 CA LEU S 20 30.150 1.109 0.128 1.00 0.00 C ATOM 1946 C LEU S 20 30.923 2.372 0.523 1.00 0.00 C ATOM 1947 O LEU S 20 31.526 2.436 1.576 1.00 0.00 O ATOM 1948 CB LEU S 20 30.788 0.561 -1.158 1.00 0.00 C ATOM 1949 CG LEU S 20 30.028 -0.681 -1.645 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.411 -0.950 -3.102 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.410 -1.899 -0.792 1.00 0.00 C ATOM 0 H LEU S 20 28.514 1.981 -0.948 1.00 0.00 H new ATOM 0 HA LEU S 20 30.201 0.396 0.951 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.778 1.328 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.832 0.308 -0.974 1.00 0.00 H new ATOM 0 HG LEU S 20 28.955 -0.508 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.878 -1.830 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU S 20 30.143 -0.089 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.485 -1.123 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU S 20 29.866 -2.775 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.482 -2.080 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.154 -1.708 0.250 1.00 0.00 H new ATOM 1963 N ARG S 21 30.883 3.351 -0.337 1.00 0.00 N ATOM 1964 CA ARG S 21 31.602 4.629 -0.064 1.00 0.00 C ATOM 1965 C ARG S 21 31.334 5.214 1.326 1.00 0.00 C ATOM 1966 O ARG S 21 32.203 5.849 1.891 1.00 0.00 O ATOM 1967 CB ARG S 21 31.138 5.663 -1.099 1.00 0.00 C ATOM 1968 CG ARG S 21 31.935 5.486 -2.396 1.00 0.00 C ATOM 1969 CD ARG S 21 31.567 6.605 -3.377 1.00 0.00 C ATOM 1970 NE ARG S 21 30.459 7.424 -2.802 1.00 0.00 N ATOM 1971 CZ ARG S 21 30.512 8.730 -2.878 1.00 0.00 C ATOM 1972 NH1 ARG S 21 31.250 9.284 -3.801 1.00 0.00 N ATOM 1973 NH2 ARG S 21 29.823 9.440 -2.024 1.00 0.00 N ATOM 0 H ARG S 21 30.380 3.321 -1.224 1.00 0.00 H new ATOM 0 HA ARG S 21 32.668 4.408 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG S 21 30.073 5.543 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG S 21 31.278 6.671 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG S 21 33.004 5.510 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.719 4.514 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG S 21 32.436 7.234 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG S 21 31.261 6.180 -4.333 1.00 0.00 H new ATOM 0 HE ARG S 21 29.665 6.968 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG S 21 31.776 8.701 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG S 21 31.301 10.300 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG S 21 29.257 8.975 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG S 21 29.852 10.459 -2.067 1.00 0.00 H new ATOM 1987 N PHE S 22 30.163 5.001 1.858 1.00 0.00 N ATOM 1988 CA PHE S 22 29.876 5.567 3.209 1.00 0.00 C ATOM 1989 C PHE S 22 30.151 4.592 4.352 1.00 0.00 C ATOM 1990 O PHE S 22 30.865 4.926 5.277 1.00 0.00 O ATOM 1991 CB PHE S 22 28.406 5.983 3.248 1.00 0.00 C ATOM 1992 CG PHE S 22 28.341 7.504 3.129 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.625 8.299 4.222 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.026 8.103 1.923 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.593 9.673 4.114 1.00 0.00 C ATOM 1996 CE2 PHE S 22 27.993 9.477 1.814 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.278 10.262 2.909 1.00 0.00 C ATOM 0 H PHE S 22 29.405 4.471 1.428 1.00 0.00 H new ATOM 0 HA PHE S 22 30.546 6.414 3.358 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.856 5.513 2.433 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.942 5.654 4.177 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.874 7.841 5.168 1.00 0.00 H new ATOM 0 HD2 PHE S 22 27.805 7.491 1.061 1.00 0.00 H new ATOM 0 HE1 PHE S 22 28.815 10.288 4.974 1.00 0.00 H new ATOM 0 HE2 PHE S 22 27.744 9.938 0.870 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.255 11.338 2.823 1.00 0.00 H new ATOM 2007 N VAL S 23 29.580 3.424 4.294 1.00 0.00 N ATOM 2008 CA VAL S 23 29.832 2.455 5.396 1.00 0.00 C ATOM 2009 C VAL S 23 31.322 2.399 5.721 1.00 0.00 C ATOM 2010 O VAL S 23 31.705 2.177 6.851 1.00 0.00 O ATOM 2011 CB VAL S 23 29.358 1.072 4.950 1.00 0.00 C ATOM 2012 CG1 VAL S 23 27.838 1.106 4.767 1.00 0.00 C ATOM 2013 CG2 VAL S 23 30.016 0.727 3.620 1.00 0.00 C ATOM 0 H VAL S 23 28.962 3.101 3.549 1.00 0.00 H new ATOM 0 HA VAL S 23 29.291 2.772 6.288 1.00 0.00 H new ATOM 0 HB VAL S 23 29.625 0.325 5.697 1.00 0.00 H new ATOM 0 HG11 VAL S 23 27.488 0.124 4.449 1.00 0.00 H new ATOM 0 HG12 VAL S 23 27.364 1.372 5.712 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.579 1.846 4.010 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.683 -0.259 3.294 1.00 0.00 H new ATOM 0 HG22 VAL S 23 29.737 1.470 2.873 1.00 0.00 H new ATOM 0 HG23 VAL S 23 31.099 0.723 3.740 1.00 0.00 H new ATOM 2023 N ASP S 24 32.135 2.603 4.718 1.00 0.00 N ATOM 2024 CA ASP S 24 33.600 2.568 4.952 1.00 0.00 C ATOM 2025 C ASP S 24 33.973 3.642 5.968 1.00 0.00 C ATOM 2026 O ASP S 24 34.826 3.438 6.810 1.00 0.00 O ATOM 2027 CB ASP S 24 34.309 2.869 3.625 1.00 0.00 C ATOM 2028 CG ASP S 24 34.331 1.607 2.760 1.00 0.00 C ATOM 2029 OD1 ASP S 24 33.335 0.905 2.798 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.346 1.418 2.110 1.00 0.00 O ATOM 0 H ASP S 24 31.848 2.790 3.757 1.00 0.00 H new ATOM 0 HA ASP S 24 33.897 1.589 5.329 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.794 3.674 3.100 1.00 0.00 H new ATOM 0 HB3 ASP S 24 35.327 3.211 3.814 1.00 0.00 H new ATOM 2035 N LEU S 25 33.322 4.768 5.860 1.00 0.00 N ATOM 2036 CA LEU S 25 33.611 5.876 6.805 1.00 0.00 C ATOM 2037 C LEU S 25 33.105 5.520 8.199 1.00 0.00 C ATOM 2038 O LEU S 25 33.679 5.913 9.190 1.00 0.00 O ATOM 2039 CB LEU S 25 32.890 7.136 6.312 1.00 0.00 C ATOM 2040 CG LEU S 25 33.305 7.413 4.866 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.581 8.664 4.364 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.817 7.648 4.808 1.00 0.00 C ATOM 0 H LEU S 25 32.606 4.965 5.161 1.00 0.00 H new ATOM 0 HA LEU S 25 34.687 6.046 6.853 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.810 7.001 6.375 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.142 7.986 6.946 1.00 0.00 H new ATOM 0 HG LEU S 25 33.043 6.560 4.240 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.874 8.865 3.334 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.504 8.504 4.410 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.849 9.515 4.990 1.00 0.00 H new ATOM 0 HD21 LEU S 25 35.115 7.846 3.778 1.00 0.00 H new ATOM 0 HD22 LEU S 25 35.076 8.504 5.432 1.00 0.00 H new ATOM 0 HD23 LEU S 25 35.337 6.762 5.173 1.00 0.00 H new ATOM 2054 N LEU S 26 32.025 4.796 8.257 1.00 0.00 N ATOM 2055 CA LEU S 26 31.502 4.422 9.591 1.00 0.00 C ATOM 2056 C LEU S 26 32.604 3.694 10.351 1.00 0.00 C ATOM 2057 O LEU S 26 32.744 3.829 11.554 1.00 0.00 O ATOM 2058 CB LEU S 26 30.313 3.466 9.401 1.00 0.00 C ATOM 2059 CG LEU S 26 29.684 3.148 10.767 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.090 4.423 11.376 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.565 2.116 10.581 1.00 0.00 C ATOM 0 H LEU S 26 31.494 4.455 7.456 1.00 0.00 H new ATOM 0 HA LEU S 26 31.185 5.308 10.141 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.571 3.919 8.744 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.646 2.546 8.920 1.00 0.00 H new ATOM 0 HG LEU S 26 30.452 2.751 11.431 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.646 4.191 12.344 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.878 5.165 11.507 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.324 4.821 10.711 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.116 1.888 11.548 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.804 2.521 9.914 1.00 0.00 H new ATOM 0 HD23 LEU S 26 28.979 1.205 10.149 1.00 0.00 H new ATOM 2073 N LYS S 27 33.383 2.948 9.610 1.00 0.00 N ATOM 2074 CA LYS S 27 34.493 2.188 10.224 1.00 0.00 C ATOM 2075 C LYS S 27 35.639 3.122 10.619 1.00 0.00 C ATOM 2076 O LYS S 27 36.434 2.800 11.480 1.00 0.00 O ATOM 2077 CB LYS S 27 34.934 1.133 9.183 1.00 0.00 C ATOM 2078 CG LYS S 27 36.425 1.234 8.830 1.00 0.00 C ATOM 2079 CD LYS S 27 36.704 0.314 7.638 1.00 0.00 C ATOM 2080 CE LYS S 27 38.119 0.579 7.114 1.00 0.00 C ATOM 2081 NZ LYS S 27 39.127 0.353 8.184 1.00 0.00 N ATOM 0 H LYS S 27 33.291 2.837 8.600 1.00 0.00 H new ATOM 0 HA LYS S 27 34.179 1.698 11.145 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.724 0.136 9.571 1.00 0.00 H new ATOM 0 HB3 LYS S 27 34.341 1.254 8.276 1.00 0.00 H new ATOM 0 HG2 LYS S 27 36.687 2.263 8.584 1.00 0.00 H new ATOM 0 HG3 LYS S 27 37.037 0.944 9.684 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.604 -0.729 7.938 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.973 0.490 6.849 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.327 -0.075 6.267 1.00 0.00 H new ATOM 0 HE3 LYS S 27 38.191 1.604 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 39.980 -0.075 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 39.374 1.262 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.732 -0.286 8.904 1.00 0.00 H new ATOM 2095 N ASN S 28 35.702 4.266 9.982 1.00 0.00 N ATOM 2096 CA ASN S 28 36.793 5.222 10.322 1.00 0.00 C ATOM 2097 C ASN S 28 36.560 5.833 11.702 1.00 0.00 C ATOM 2098 O ASN S 28 37.445 5.845 12.533 1.00 0.00 O ATOM 2099 CB ASN S 28 36.827 6.343 9.273 1.00 0.00 C ATOM 2100 CG ASN S 28 37.664 5.888 8.076 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.792 6.305 7.901 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.154 5.034 7.230 1.00 0.00 N ATOM 0 H ASN S 28 35.056 4.573 9.255 1.00 0.00 H new ATOM 0 HA ASN S 28 37.741 4.685 10.330 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.814 6.587 8.952 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.252 7.249 9.705 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.702 4.721 6.428 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.208 4.680 7.371 1.00 0.00 H new ATOM 2109 N ALA S 29 35.370 6.328 11.924 1.00 0.00 N ATOM 2110 CA ALA S 29 35.070 6.938 13.249 1.00 0.00 C ATOM 2111 C ALA S 29 35.235 5.884 14.333 1.00 0.00 C ATOM 2112 O ALA S 29 35.800 6.140 15.379 1.00 0.00 O ATOM 2113 CB ALA S 29 33.611 7.412 13.252 1.00 0.00 C ATOM 0 H ALA S 29 34.602 6.336 11.252 1.00 0.00 H new ATOM 0 HA ALA S 29 35.745 7.774 13.433 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.376 7.861 14.217 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.467 8.150 12.463 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.952 6.562 13.078 1.00 0.00 H new ATOM 2119 N TYR S 30 34.733 4.716 14.051 1.00 0.00 N ATOM 2120 CA TYR S 30 34.839 3.617 15.035 1.00 0.00 C ATOM 2121 C TYR S 30 36.238 3.568 15.629 1.00 0.00 C ATOM 2122 O TYR S 30 36.471 4.160 16.663 1.00 0.00 O ATOM 2123 CB TYR S 30 34.551 2.296 14.300 1.00 0.00 C ATOM 2124 CG TYR S 30 33.162 1.783 14.688 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.863 1.498 16.005 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.191 1.582 13.726 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.620 1.018 16.352 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.948 1.102 14.073 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.651 0.815 15.388 1.00 0.00 C ATOM 2130 OH TYR S 30 29.406 0.330 15.733 1.00 0.00 O ATOM 0 H TYR S 30 34.255 4.479 13.181 1.00 0.00 H new ATOM 0 HA TYR S 30 34.127 3.776 15.845 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.605 2.449 13.222 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.308 1.554 14.555 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.610 1.653 16.769 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.409 1.804 12.692 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.401 0.798 17.386 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.200 0.949 13.309 1.00 0.00 H new ATOM 0 HH TYR S 30 28.851 0.251 14.929 1.00 0.00 H new ATOM 2140 N GLN S 31 37.138 2.956 14.888 1.00 0.00 N ATOM 2141 CA GLN S 31 38.571 2.802 15.311 1.00 0.00 C ATOM 2142 C GLN S 31 38.959 3.714 16.467 1.00 0.00 C ATOM 2143 O GLN S 31 39.237 3.261 17.559 1.00 0.00 O ATOM 2144 CB GLN S 31 39.455 3.137 14.098 1.00 0.00 C ATOM 2145 CG GLN S 31 40.402 1.965 13.819 1.00 0.00 C ATOM 2146 CD GLN S 31 39.604 0.798 13.233 1.00 0.00 C ATOM 2147 OE1 GLN S 31 38.957 0.925 12.213 1.00 0.00 O ATOM 2148 NE2 GLN S 31 39.617 -0.353 13.849 1.00 0.00 N ATOM 0 H GLN S 31 36.930 2.544 13.978 1.00 0.00 H new ATOM 0 HA GLN S 31 38.710 1.778 15.658 1.00 0.00 H new ATOM 0 HB2 GLN S 31 38.834 3.333 13.224 1.00 0.00 H new ATOM 0 HB3 GLN S 31 40.028 4.044 14.291 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.183 2.272 13.124 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.898 1.656 14.739 1.00 0.00 H new ATOM 0 HE21 GLN S 31 40.158 -0.467 14.706 1.00 0.00 H new ATOM 0 HE22 GLN S 31 39.086 -1.139 13.473 1.00 0.00 H new ATOM 2157 N ASN S 32 38.966 4.977 16.199 1.00 0.00 N ATOM 2158 CA ASN S 32 39.328 5.952 17.246 1.00 0.00 C ATOM 2159 C ASN S 32 38.163 6.165 18.187 1.00 0.00 C ATOM 2160 O ASN S 32 38.001 7.236 18.731 1.00 0.00 O ATOM 2161 CB ASN S 32 39.635 7.274 16.566 1.00 0.00 C ATOM 2162 CG ASN S 32 41.040 7.228 15.956 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.938 7.920 16.391 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.270 6.430 14.950 1.00 0.00 N ATOM 0 H ASN S 32 38.734 5.381 15.291 1.00 0.00 H new ATOM 0 HA ASN S 32 40.184 5.582 17.810 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.897 7.474 15.789 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.568 8.089 17.287 1.00 0.00 H new ATOM 0 HD21 ASN S 32 42.200 6.390 14.533 1.00 0.00 H new ATOM 0 HD22 ASN S 32 40.520 5.846 14.580 1.00 0.00 H new ATOM 2171 N ASP S 33 37.427 5.115 18.424 1.00 0.00 N ATOM 2172 CA ASP S 33 36.249 5.212 19.327 1.00 0.00 C ATOM 2173 C ASP S 33 35.604 6.584 19.240 1.00 0.00 C ATOM 2174 O ASP S 33 35.000 7.061 20.179 1.00 0.00 O ATOM 2175 CB ASP S 33 36.771 5.041 20.734 1.00 0.00 C ATOM 2176 CG ASP S 33 35.736 4.306 21.592 1.00 0.00 C ATOM 2177 OD1 ASP S 33 35.570 3.121 21.347 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.167 4.971 22.442 1.00 0.00 O ATOM 0 H ASP S 33 37.593 4.190 18.028 1.00 0.00 H new ATOM 0 HA ASP S 33 35.510 4.460 19.050 1.00 0.00 H new ATOM 0 HB2 ASP S 33 37.706 4.481 20.718 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.991 6.016 21.170 1.00 0.00 H new ATOM 2183 N LEU S 34 35.746 7.184 18.097 1.00 0.00 N ATOM 2184 CA LEU S 34 35.163 8.528 17.897 1.00 0.00 C ATOM 2185 C LEU S 34 33.783 8.392 17.280 1.00 0.00 C ATOM 2186 O LEU S 34 33.232 9.337 16.747 1.00 0.00 O ATOM 2187 CB LEU S 34 36.101 9.303 16.955 1.00 0.00 C ATOM 2188 CG LEU S 34 36.682 10.538 17.667 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.611 10.120 18.815 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.517 11.333 16.664 1.00 0.00 C ATOM 0 H LEU S 34 36.242 6.799 17.293 1.00 0.00 H new ATOM 0 HA LEU S 34 35.062 9.058 18.844 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.911 8.653 16.623 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.556 9.613 16.064 1.00 0.00 H new ATOM 0 HG LEU S 34 35.856 11.129 18.063 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.009 11.010 19.303 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.051 9.529 19.539 1.00 0.00 H new ATOM 0 HD13 LEU S 34 38.433 9.524 18.419 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.935 12.212 17.155 1.00 0.00 H new ATOM 0 HD22 LEU S 34 38.326 10.707 16.288 1.00 0.00 H new ATOM 0 HD23 LEU S 34 36.885 11.648 15.833 1.00 0.00 H new ATOM 2202 N HIS S 35 33.248 7.204 17.367 1.00 0.00 N ATOM 2203 CA HIS S 35 31.895 6.978 16.786 1.00 0.00 C ATOM 2204 C HIS S 35 30.779 7.256 17.789 1.00 0.00 C ATOM 2205 O HIS S 35 29.695 7.618 17.402 1.00 0.00 O ATOM 2206 CB HIS S 35 31.778 5.517 16.351 1.00 0.00 C ATOM 2207 CG HIS S 35 31.975 4.606 17.569 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.051 4.487 18.231 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.073 3.770 18.201 1.00 0.00 C ATOM 2210 CE1 HIS S 35 32.895 3.665 19.202 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.669 3.170 19.246 1.00 0.00 N ATOM 0 H HIS S 35 33.681 6.393 17.808 1.00 0.00 H new ATOM 0 HA HIS S 35 31.784 7.663 15.945 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.801 5.337 15.902 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.525 5.292 15.590 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.046 3.622 17.901 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.675 3.406 19.903 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.275 2.501 19.907 1.00 0.00 H new ATOM 2219 N LEU S 36 31.056 7.108 19.059 1.00 0.00 N ATOM 2220 CA LEU S 36 29.979 7.367 20.057 1.00 0.00 C ATOM 2221 C LEU S 36 29.187 8.647 19.757 1.00 0.00 C ATOM 2222 O LEU S 36 27.974 8.615 19.742 1.00 0.00 O ATOM 2223 CB LEU S 36 30.573 7.448 21.469 1.00 0.00 C ATOM 2224 CG LEU S 36 30.015 6.287 22.308 1.00 0.00 C ATOM 2225 CD1 LEU S 36 30.734 6.259 23.658 1.00 0.00 C ATOM 2226 CD2 LEU S 36 28.506 6.476 22.547 1.00 0.00 C ATOM 0 H LEU S 36 31.959 6.826 19.441 1.00 0.00 H new ATOM 0 HA LEU S 36 29.283 6.531 19.992 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.661 7.393 21.425 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.321 8.403 21.931 1.00 0.00 H new ATOM 0 HG LEU S 36 30.175 5.351 21.773 1.00 0.00 H new ATOM 0 HD11 LEU S 36 30.345 5.438 24.261 1.00 0.00 H new ATOM 0 HD12 LEU S 36 31.803 6.117 23.498 1.00 0.00 H new ATOM 0 HD13 LEU S 36 30.567 7.202 24.179 1.00 0.00 H new ATOM 0 HD21 LEU S 36 28.125 5.646 23.142 1.00 0.00 H new ATOM 0 HD22 LEU S 36 28.336 7.412 23.079 1.00 0.00 H new ATOM 0 HD23 LEU S 36 27.987 6.504 21.589 1.00 0.00 H new ATOM 2238 N PRO S 37 29.855 9.764 19.545 1.00 0.00 N ATOM 2239 CA PRO S 37 29.132 11.011 19.253 1.00 0.00 C ATOM 2240 C PRO S 37 28.224 10.862 18.027 1.00 0.00 C ATOM 2241 O PRO S 37 27.016 10.928 18.145 1.00 0.00 O ATOM 2242 CB PRO S 37 30.229 12.045 18.976 1.00 0.00 C ATOM 2243 CG PRO S 37 31.583 11.404 19.369 1.00 0.00 C ATOM 2244 CD PRO S 37 31.333 9.907 19.618 1.00 0.00 C ATOM 0 HA PRO S 37 28.482 11.297 20.080 1.00 0.00 H new ATOM 0 HB2 PRO S 37 30.231 12.330 17.924 1.00 0.00 H new ATOM 0 HB3 PRO S 37 30.054 12.954 19.552 1.00 0.00 H new ATOM 0 HG2 PRO S 37 32.317 11.543 18.575 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.986 11.879 20.263 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.830 9.291 18.869 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.715 9.596 20.590 1.00 0.00 H new ATOM 2252 N LEU S 38 28.812 10.669 16.873 1.00 0.00 N ATOM 2253 CA LEU S 38 27.973 10.517 15.651 1.00 0.00 C ATOM 2254 C LEU S 38 26.936 9.425 15.862 1.00 0.00 C ATOM 2255 O LEU S 38 25.836 9.509 15.361 1.00 0.00 O ATOM 2256 CB LEU S 38 28.896 10.209 14.459 1.00 0.00 C ATOM 2257 CG LEU S 38 28.982 8.706 14.182 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.761 8.243 13.373 1.00 0.00 C ATOM 2259 CD2 LEU S 38 30.240 8.453 13.365 1.00 0.00 C ATOM 0 H LEU S 38 29.820 10.611 16.727 1.00 0.00 H new ATOM 0 HA LEU S 38 27.430 11.439 15.443 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.527 10.722 13.571 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.893 10.599 14.661 1.00 0.00 H new ATOM 0 HG LEU S 38 29.008 8.158 15.124 1.00 0.00 H new ATOM 0 HD11 LEU S 38 27.835 7.172 13.183 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.851 8.449 13.937 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.729 8.778 12.424 1.00 0.00 H new ATOM 0 HD21 LEU S 38 30.328 7.388 13.152 1.00 0.00 H new ATOM 0 HD22 LEU S 38 30.183 9.007 12.428 1.00 0.00 H new ATOM 0 HD23 LEU S 38 31.112 8.783 13.929 1.00 0.00 H new ATOM 2271 N LEU S 39 27.300 8.413 16.585 1.00 0.00 N ATOM 2272 CA LEU S 39 26.309 7.328 16.823 1.00 0.00 C ATOM 2273 C LEU S 39 25.079 7.996 17.426 1.00 0.00 C ATOM 2274 O LEU S 39 24.000 7.963 16.872 1.00 0.00 O ATOM 2275 CB LEU S 39 26.912 6.330 17.838 1.00 0.00 C ATOM 2276 CG LEU S 39 26.152 4.984 17.870 1.00 0.00 C ATOM 2277 CD1 LEU S 39 24.635 5.197 17.854 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.545 4.119 16.677 1.00 0.00 C ATOM 0 H LEU S 39 28.216 8.286 17.014 1.00 0.00 H new ATOM 0 HA LEU S 39 26.054 6.793 15.908 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.957 6.147 17.586 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.897 6.775 18.833 1.00 0.00 H new ATOM 0 HG LEU S 39 26.427 4.480 18.797 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.132 4.230 17.877 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.340 5.781 18.726 1.00 0.00 H new ATOM 0 HD13 LEU S 39 24.352 5.732 16.947 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.000 3.176 16.716 1.00 0.00 H new ATOM 0 HD22 LEU S 39 26.300 4.641 15.752 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.616 3.921 16.709 1.00 0.00 H new ATOM 2290 N ASN S 40 25.292 8.598 18.561 1.00 0.00 N ATOM 2291 CA ASN S 40 24.188 9.297 19.266 1.00 0.00 C ATOM 2292 C ASN S 40 23.260 10.054 18.308 1.00 0.00 C ATOM 2293 O ASN S 40 22.059 10.063 18.494 1.00 0.00 O ATOM 2294 CB ASN S 40 24.827 10.314 20.218 1.00 0.00 C ATOM 2295 CG ASN S 40 24.188 10.194 21.601 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.941 9.111 22.090 1.00 0.00 O ATOM 2297 ND2 ASN S 40 23.911 11.280 22.268 1.00 0.00 N ATOM 0 H ASN S 40 26.195 8.635 19.034 1.00 0.00 H new ATOM 0 HA ASN S 40 23.585 8.552 19.785 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.901 10.139 20.286 1.00 0.00 H new ATOM 0 HB3 ASN S 40 24.693 11.324 19.831 1.00 0.00 H new ATOM 0 HD21 ASN S 40 23.489 11.216 23.195 1.00 0.00 H new ATOM 0 HD22 ASN S 40 24.116 12.193 21.863 1.00 0.00 H new ATOM 2304 N LEU S 41 23.821 10.677 17.300 1.00 0.00 N ATOM 2305 CA LEU S 41 22.957 11.434 16.342 1.00 0.00 C ATOM 2306 C LEU S 41 21.702 10.653 15.968 1.00 0.00 C ATOM 2307 O LEU S 41 20.606 11.033 16.327 1.00 0.00 O ATOM 2308 CB LEU S 41 23.744 11.727 15.042 1.00 0.00 C ATOM 2309 CG LEU S 41 22.836 12.426 14.015 1.00 0.00 C ATOM 2310 CD1 LEU S 41 22.131 13.628 14.654 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.694 12.923 12.851 1.00 0.00 C ATOM 0 H LEU S 41 24.821 10.695 17.101 1.00 0.00 H new ATOM 0 HA LEU S 41 22.663 12.359 16.838 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.605 12.357 15.264 1.00 0.00 H new ATOM 0 HB3 LEU S 41 24.129 10.797 14.624 1.00 0.00 H new ATOM 0 HG LEU S 41 22.087 11.716 13.665 1.00 0.00 H new ATOM 0 HD11 LEU S 41 21.493 14.111 13.914 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.522 13.289 15.492 1.00 0.00 H new ATOM 0 HD13 LEU S 41 22.876 14.339 15.010 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.059 13.420 12.117 1.00 0.00 H new ATOM 0 HD22 LEU S 41 24.439 13.627 13.223 1.00 0.00 H new ATOM 0 HD23 LEU S 41 24.196 12.077 12.382 1.00 0.00 H new ATOM 2323 N MET S 42 21.886 9.576 15.256 1.00 0.00 N ATOM 2324 CA MET S 42 20.697 8.769 14.851 1.00 0.00 C ATOM 2325 C MET S 42 20.357 7.652 15.842 1.00 0.00 C ATOM 2326 O MET S 42 20.110 6.530 15.443 1.00 0.00 O ATOM 2327 CB MET S 42 20.984 8.141 13.482 1.00 0.00 C ATOM 2328 CG MET S 42 19.654 7.920 12.756 1.00 0.00 C ATOM 2329 SD MET S 42 19.676 6.906 11.256 1.00 0.00 S ATOM 2330 CE MET S 42 17.884 6.844 11.000 1.00 0.00 C ATOM 0 H MET S 42 22.790 9.223 14.941 1.00 0.00 H new ATOM 0 HA MET S 42 19.840 9.442 14.822 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.631 8.793 12.895 1.00 0.00 H new ATOM 0 HB3 MET S 42 21.510 7.194 13.603 1.00 0.00 H new ATOM 0 HG2 MET S 42 18.959 7.463 13.460 1.00 0.00 H new ATOM 0 HG3 MET S 42 19.247 8.897 12.495 1.00 0.00 H new ATOM 0 HE1 MET S 42 17.664 6.256 10.109 1.00 0.00 H new ATOM 0 HE2 MET S 42 17.409 6.383 11.866 1.00 0.00 H new ATOM 0 HE3 MET S 42 17.500 7.856 10.871 1.00 0.00 H new ATOM 2340 N LEU S 43 20.345 7.967 17.109 1.00 0.00 N ATOM 2341 CA LEU S 43 20.016 6.920 18.114 1.00 0.00 C ATOM 2342 C LEU S 43 18.612 6.369 17.866 1.00 0.00 C ATOM 2343 O LEU S 43 18.436 5.187 17.655 1.00 0.00 O ATOM 2344 CB LEU S 43 20.046 7.571 19.504 1.00 0.00 C ATOM 2345 CG LEU S 43 21.175 6.960 20.338 1.00 0.00 C ATOM 2346 CD1 LEU S 43 21.445 7.857 21.548 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.763 5.571 20.832 1.00 0.00 C ATOM 0 H LEU S 43 20.546 8.893 17.487 1.00 0.00 H new ATOM 0 HA LEU S 43 20.736 6.105 18.042 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.193 8.647 19.409 1.00 0.00 H new ATOM 0 HB3 LEU S 43 19.090 7.423 20.006 1.00 0.00 H new ATOM 0 HG LEU S 43 22.072 6.876 19.724 1.00 0.00 H new ATOM 0 HD11 LEU S 43 22.248 7.428 22.147 1.00 0.00 H new ATOM 0 HD12 LEU S 43 21.737 8.850 21.207 1.00 0.00 H new ATOM 0 HD13 LEU S 43 20.542 7.933 22.153 1.00 0.00 H new ATOM 0 HD21 LEU S 43 21.571 5.141 21.425 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.867 5.654 21.446 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.558 4.927 19.977 1.00 0.00 H new ATOM 2359 N THR S 44 17.649 7.257 17.878 1.00 0.00 N ATOM 2360 CA THR S 44 16.225 6.861 17.652 1.00 0.00 C ATOM 2361 C THR S 44 15.791 5.704 18.577 1.00 0.00 C ATOM 2362 O THR S 44 16.613 4.936 19.033 1.00 0.00 O ATOM 2363 CB THR S 44 16.035 6.412 16.190 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.326 6.119 15.689 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.547 7.574 15.321 1.00 0.00 C ATOM 0 H THR S 44 17.792 8.254 18.037 1.00 0.00 H new ATOM 0 HA THR S 44 15.610 7.733 17.875 1.00 0.00 H new ATOM 0 HB THR S 44 15.329 5.582 16.163 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.672 5.314 16.128 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.420 7.232 14.294 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.593 7.938 15.702 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.280 8.381 15.347 1.00 0.00 H new ATOM 2373 N PRO S 45 14.501 5.602 18.857 1.00 0.00 N ATOM 2374 CA PRO S 45 13.988 4.528 19.728 1.00 0.00 C ATOM 2375 C PRO S 45 14.136 3.157 19.064 1.00 0.00 C ATOM 2376 O PRO S 45 14.410 2.171 19.719 1.00 0.00 O ATOM 2377 CB PRO S 45 12.490 4.839 19.890 1.00 0.00 C ATOM 2378 CG PRO S 45 12.139 5.970 18.896 1.00 0.00 C ATOM 2379 CD PRO S 45 13.462 6.540 18.369 1.00 0.00 C ATOM 0 HA PRO S 45 14.532 4.493 20.672 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.890 3.951 19.688 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.271 5.146 20.913 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.532 5.586 18.076 1.00 0.00 H new ATOM 0 HG3 PRO S 45 11.555 6.747 19.389 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.462 6.598 17.281 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.634 7.550 18.742 1.00 0.00 H new ATOM 2387 N ASP S 46 13.956 3.129 17.772 1.00 0.00 N ATOM 2388 CA ASP S 46 14.078 1.842 17.034 1.00 0.00 C ATOM 2389 C ASP S 46 15.510 1.314 17.064 1.00 0.00 C ATOM 2390 O ASP S 46 15.799 0.337 17.726 1.00 0.00 O ATOM 2391 CB ASP S 46 13.680 2.097 15.575 1.00 0.00 C ATOM 2392 CG ASP S 46 13.618 0.765 14.824 1.00 0.00 C ATOM 2393 OD1 ASP S 46 13.400 -0.227 15.500 1.00 0.00 O ATOM 2394 OD2 ASP S 46 13.791 0.817 13.618 1.00 0.00 O ATOM 0 H ASP S 46 13.730 3.941 17.197 1.00 0.00 H new ATOM 0 HA ASP S 46 13.433 1.101 17.506 1.00 0.00 H new ATOM 0 HB2 ASP S 46 12.712 2.596 15.533 1.00 0.00 H new ATOM 0 HB3 ASP S 46 14.402 2.761 15.100 1.00 0.00 H new ATOM 2399 N GLU S 47 16.376 1.970 16.337 1.00 0.00 N ATOM 2400 CA GLU S 47 17.798 1.532 16.302 1.00 0.00 C ATOM 2401 C GLU S 47 18.283 1.119 17.687 1.00 0.00 C ATOM 2402 O GLU S 47 18.982 0.136 17.840 1.00 0.00 O ATOM 2403 CB GLU S 47 18.646 2.716 15.825 1.00 0.00 C ATOM 2404 CG GLU S 47 19.002 2.528 14.350 1.00 0.00 C ATOM 2405 CD GLU S 47 20.079 1.448 14.220 1.00 0.00 C ATOM 2406 OE1 GLU S 47 20.392 0.868 15.246 1.00 0.00 O ATOM 2407 OE2 GLU S 47 20.530 1.265 13.100 1.00 0.00 O ATOM 0 H GLU S 47 16.159 2.788 15.768 1.00 0.00 H new ATOM 0 HA GLU S 47 17.888 0.675 15.634 1.00 0.00 H new ATOM 0 HB2 GLU S 47 18.098 3.648 15.962 1.00 0.00 H new ATOM 0 HB3 GLU S 47 19.555 2.790 16.423 1.00 0.00 H new ATOM 0 HG2 GLU S 47 18.115 2.243 13.784 1.00 0.00 H new ATOM 0 HG3 GLU S 47 19.361 3.467 13.929 1.00 0.00 H new ATOM 2414 N ARG S 48 17.902 1.883 18.670 1.00 0.00 N ATOM 2415 CA ARG S 48 18.325 1.562 20.059 1.00 0.00 C ATOM 2416 C ARG S 48 17.726 0.235 20.528 1.00 0.00 C ATOM 2417 O ARG S 48 18.442 -0.695 20.841 1.00 0.00 O ATOM 2418 CB ARG S 48 17.822 2.682 20.978 1.00 0.00 C ATOM 2419 CG ARG S 48 17.951 2.238 22.436 1.00 0.00 C ATOM 2420 CD ARG S 48 17.909 3.475 23.336 1.00 0.00 C ATOM 2421 NE ARG S 48 18.001 3.040 24.760 1.00 0.00 N ATOM 2422 CZ ARG S 48 17.254 3.622 25.663 1.00 0.00 C ATOM 2423 NH1 ARG S 48 16.017 3.915 25.367 1.00 0.00 N ATOM 2424 NH2 ARG S 48 17.770 3.887 26.829 1.00 0.00 N ATOM 0 H ARG S 48 17.318 2.713 18.572 1.00 0.00 H new ATOM 0 HA ARG S 48 19.411 1.477 20.090 1.00 0.00 H new ATOM 0 HB2 ARG S 48 18.399 3.592 20.811 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.783 2.917 20.748 1.00 0.00 H new ATOM 0 HG2 ARG S 48 17.142 1.555 22.695 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.885 1.696 22.584 1.00 0.00 H new ATOM 0 HD2 ARG S 48 18.733 4.146 23.093 1.00 0.00 H new ATOM 0 HD3 ARG S 48 16.986 4.030 23.170 1.00 0.00 H new ATOM 0 HE ARG S 48 18.642 2.293 25.028 1.00 0.00 H new ATOM 0 HH11 ARG S 48 15.647 3.690 24.444 1.00 0.00 H new ATOM 0 HH12 ARG S 48 15.421 4.369 26.059 1.00 0.00 H new ATOM 0 HH21 ARG S 48 18.740 3.641 27.025 1.00 0.00 H new ATOM 0 HH22 ARG S 48 17.204 4.340 27.546 1.00 0.00 H new ATOM 2438 N GLU S 49 16.423 0.176 20.566 1.00 0.00 N ATOM 2439 CA GLU S 49 15.760 -1.078 21.012 1.00 0.00 C ATOM 2440 C GLU S 49 15.917 -2.191 19.975 1.00 0.00 C ATOM 2441 O GLU S 49 15.360 -3.259 20.131 1.00 0.00 O ATOM 2442 CB GLU S 49 14.265 -0.786 21.194 1.00 0.00 C ATOM 2443 CG GLU S 49 14.076 0.140 22.397 1.00 0.00 C ATOM 2444 CD GLU S 49 14.160 -0.681 23.686 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.340 -1.575 23.814 1.00 0.00 O ATOM 2446 OE2 GLU S 49 15.043 -0.368 24.467 1.00 0.00 O ATOM 0 H GLU S 49 15.794 0.937 20.309 1.00 0.00 H new ATOM 0 HA GLU S 49 16.221 -1.409 21.942 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.861 -0.321 20.295 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.717 -1.716 21.346 1.00 0.00 H new ATOM 0 HG2 GLU S 49 14.841 0.916 22.396 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.111 0.643 22.335 1.00 0.00 H new ATOM 2453 N ALA S 50 16.677 -1.917 18.947 1.00 0.00 N ATOM 2454 CA ALA S 50 16.887 -2.945 17.886 1.00 0.00 C ATOM 2455 C ALA S 50 18.315 -3.483 17.915 1.00 0.00 C ATOM 2456 O ALA S 50 18.531 -4.675 17.785 1.00 0.00 O ATOM 2457 CB ALA S 50 16.640 -2.288 16.525 1.00 0.00 C ATOM 0 H ALA S 50 17.159 -1.031 18.797 1.00 0.00 H new ATOM 0 HA ALA S 50 16.201 -3.774 18.058 1.00 0.00 H new ATOM 0 HB1 ALA S 50 16.788 -3.023 15.734 1.00 0.00 H new ATOM 0 HB2 ALA S 50 15.618 -1.911 16.483 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.337 -1.462 16.388 1.00 0.00 H new ATOM 2463 N LEU S 51 19.263 -2.595 18.077 1.00 0.00 N ATOM 2464 CA LEU S 51 20.680 -3.046 18.116 1.00 0.00 C ATOM 2465 C LEU S 51 20.805 -4.307 18.956 1.00 0.00 C ATOM 2466 O LEU S 51 21.383 -5.287 18.535 1.00 0.00 O ATOM 2467 CB LEU S 51 21.531 -1.945 18.764 1.00 0.00 C ATOM 2468 CG LEU S 51 23.023 -2.294 18.637 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.803 -1.024 18.295 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.535 -2.846 19.971 1.00 0.00 C ATOM 0 H LEU S 51 19.117 -1.591 18.182 1.00 0.00 H new ATOM 0 HA LEU S 51 21.018 -3.251 17.100 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.330 -0.988 18.283 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.262 -1.836 19.815 1.00 0.00 H new ATOM 0 HG LEU S 51 23.158 -3.041 17.855 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.863 -1.262 18.203 1.00 0.00 H new ATOM 0 HD12 LEU S 51 23.439 -0.616 17.352 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.664 -0.287 19.086 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.593 -3.093 19.881 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.403 -2.095 20.750 1.00 0.00 H new ATOM 0 HD23 LEU S 51 22.974 -3.743 20.233 1.00 0.00 H new ATOM 2482 N GLY S 52 20.257 -4.251 20.138 1.00 0.00 N ATOM 2483 CA GLY S 52 20.330 -5.435 21.028 1.00 0.00 C ATOM 2484 C GLY S 52 19.746 -6.655 20.309 1.00 0.00 C ATOM 2485 O GLY S 52 20.413 -7.662 20.154 1.00 0.00 O ATOM 0 H GLY S 52 19.767 -3.443 20.521 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.365 -5.627 21.310 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.779 -5.245 21.949 1.00 0.00 H new ATOM 2489 N THR S 53 18.509 -6.531 19.883 1.00 0.00 N ATOM 2490 CA THR S 53 17.857 -7.665 19.170 1.00 0.00 C ATOM 2491 C THR S 53 18.875 -8.385 18.291 1.00 0.00 C ATOM 2492 O THR S 53 18.779 -9.575 18.067 1.00 0.00 O ATOM 2493 CB THR S 53 16.742 -7.104 18.279 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.160 -6.050 19.025 1.00 0.00 O ATOM 2495 CG2 THR S 53 15.610 -8.125 18.109 1.00 0.00 C ATOM 0 H THR S 53 17.931 -5.698 20.000 1.00 0.00 H new ATOM 0 HA THR S 53 17.452 -8.368 19.898 1.00 0.00 H new ATOM 0 HB THR S 53 17.153 -6.824 17.309 1.00 0.00 H new ATOM 0 HG1 THR S 53 15.339 -5.750 18.582 1.00 0.00 H new ATOM 0 HG21 THR S 53 14.832 -7.703 17.473 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.003 -9.031 17.648 1.00 0.00 H new ATOM 0 HG23 THR S 53 15.189 -8.368 19.085 1.00 0.00 H new ATOM 2503 N ARG S 54 19.834 -7.639 17.814 1.00 0.00 N ATOM 2504 CA ARG S 54 20.875 -8.236 16.955 1.00 0.00 C ATOM 2505 C ARG S 54 21.976 -8.905 17.786 1.00 0.00 C ATOM 2506 O ARG S 54 22.409 -9.983 17.465 1.00 0.00 O ATOM 2507 CB ARG S 54 21.491 -7.103 16.135 1.00 0.00 C ATOM 2508 CG ARG S 54 20.376 -6.166 15.659 1.00 0.00 C ATOM 2509 CD ARG S 54 20.731 -5.610 14.278 1.00 0.00 C ATOM 2510 NE ARG S 54 20.912 -6.743 13.328 1.00 0.00 N ATOM 2511 CZ ARG S 54 19.983 -7.651 13.225 1.00 0.00 C ATOM 2512 NH1 ARG S 54 18.971 -7.435 12.429 1.00 0.00 N ATOM 2513 NH2 ARG S 54 20.102 -8.751 13.916 1.00 0.00 N ATOM 0 H ARG S 54 19.935 -6.639 17.987 1.00 0.00 H new ATOM 0 HA ARG S 54 20.427 -9.001 16.321 1.00 0.00 H new ATOM 0 HB2 ARG S 54 22.213 -6.552 16.737 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.032 -7.509 15.280 1.00 0.00 H new ATOM 0 HG2 ARG S 54 19.429 -6.704 15.614 1.00 0.00 H new ATOM 0 HG3 ARG S 54 20.245 -5.349 16.369 1.00 0.00 H new ATOM 0 HD2 ARG S 54 19.941 -4.946 13.926 1.00 0.00 H new ATOM 0 HD3 ARG S 54 21.644 -5.017 14.335 1.00 0.00 H new ATOM 0 HE ARG S 54 21.758 -6.808 12.762 1.00 0.00 H new ATOM 0 HH11 ARG S 54 18.916 -6.565 11.899 1.00 0.00 H new ATOM 0 HH12 ARG S 54 18.236 -8.136 12.337 1.00 0.00 H new ATOM 0 HH21 ARG S 54 20.911 -8.887 14.522 1.00 0.00 H new ATOM 0 HH22 ARG S 54 19.386 -9.475 13.850 1.00 0.00 H new ATOM 2527 N VAL S 55 22.410 -8.272 18.843 1.00 0.00 N ATOM 2528 CA VAL S 55 23.482 -8.915 19.657 1.00 0.00 C ATOM 2529 C VAL S 55 23.088 -10.346 20.007 1.00 0.00 C ATOM 2530 O VAL S 55 23.915 -11.157 20.364 1.00 0.00 O ATOM 2531 CB VAL S 55 23.699 -8.106 20.959 1.00 0.00 C ATOM 2532 CG1 VAL S 55 22.587 -8.383 21.990 1.00 0.00 C ATOM 2533 CG2 VAL S 55 25.045 -8.510 21.575 1.00 0.00 C ATOM 0 H VAL S 55 22.081 -7.364 19.171 1.00 0.00 H new ATOM 0 HA VAL S 55 24.405 -8.932 19.078 1.00 0.00 H new ATOM 0 HB VAL S 55 23.682 -7.046 20.707 1.00 0.00 H new ATOM 0 HG11 VAL S 55 22.772 -7.798 22.891 1.00 0.00 H new ATOM 0 HG12 VAL S 55 21.622 -8.103 21.568 1.00 0.00 H new ATOM 0 HG13 VAL S 55 22.580 -9.444 22.241 1.00 0.00 H new ATOM 0 HG21 VAL S 55 25.209 -7.946 22.493 1.00 0.00 H new ATOM 0 HG22 VAL S 55 25.036 -9.576 21.801 1.00 0.00 H new ATOM 0 HG23 VAL S 55 25.847 -8.295 20.869 1.00 0.00 H new ATOM 2543 N ARG S 56 21.819 -10.625 19.870 1.00 0.00 N ATOM 2544 CA ARG S 56 21.320 -11.994 20.189 1.00 0.00 C ATOM 2545 C ARG S 56 21.873 -13.071 19.254 1.00 0.00 C ATOM 2546 O ARG S 56 22.540 -13.980 19.697 1.00 0.00 O ATOM 2547 CB ARG S 56 19.790 -12.000 20.064 1.00 0.00 C ATOM 2548 CG ARG S 56 19.173 -11.233 21.242 1.00 0.00 C ATOM 2549 CD ARG S 56 18.398 -12.209 22.135 1.00 0.00 C ATOM 2550 NE ARG S 56 19.345 -13.199 22.719 1.00 0.00 N ATOM 2551 CZ ARG S 56 19.015 -13.836 23.813 1.00 0.00 C ATOM 2552 NH1 ARG S 56 18.849 -13.156 24.913 1.00 0.00 N ATOM 2553 NH2 ARG S 56 18.854 -15.132 23.768 1.00 0.00 N ATOM 0 H ARG S 56 21.108 -9.966 19.552 1.00 0.00 H new ATOM 0 HA ARG S 56 21.655 -12.228 21.199 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.490 -11.541 19.122 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.420 -13.025 20.051 1.00 0.00 H new ATOM 0 HG2 ARG S 56 19.955 -10.739 21.818 1.00 0.00 H new ATOM 0 HG3 ARG S 56 18.507 -10.453 20.873 1.00 0.00 H new ATOM 0 HD2 ARG S 56 17.886 -11.665 22.929 1.00 0.00 H new ATOM 0 HD3 ARG S 56 17.631 -12.721 21.554 1.00 0.00 H new ATOM 0 HE ARG S 56 20.243 -13.379 22.270 1.00 0.00 H new ATOM 0 HH11 ARG S 56 18.976 -12.144 24.911 1.00 0.00 H new ATOM 0 HH12 ARG S 56 18.592 -13.636 25.775 1.00 0.00 H new ATOM 0 HH21 ARG S 56 18.986 -15.632 22.889 1.00 0.00 H new ATOM 0 HH22 ARG S 56 18.597 -15.644 24.612 1.00 0.00 H new ATOM 2567 N ILE S 57 21.601 -12.956 17.982 1.00 0.00 N ATOM 2568 CA ILE S 57 22.116 -13.988 17.044 1.00 0.00 C ATOM 2569 C ILE S 57 23.602 -14.235 17.246 1.00 0.00 C ATOM 2570 O ILE S 57 23.994 -15.210 17.859 1.00 0.00 O ATOM 2571 CB ILE S 57 21.891 -13.539 15.601 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.741 -12.024 15.515 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.609 -14.211 15.094 1.00 0.00 C ATOM 2574 CD1 ILE S 57 21.587 -11.600 14.056 1.00 0.00 C ATOM 0 H ILE S 57 21.054 -12.206 17.560 1.00 0.00 H new ATOM 0 HA ILE S 57 21.574 -14.912 17.246 1.00 0.00 H new ATOM 0 HB ILE S 57 22.749 -13.824 14.993 1.00 0.00 H new ATOM 0 HG12 ILE S 57 20.873 -11.702 16.090 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.612 -11.538 15.954 1.00 0.00 H new ATOM 0 HG21 ILE S 57 20.422 -13.908 14.064 1.00 0.00 H new ATOM 0 HG22 ILE S 57 20.724 -15.294 15.139 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.768 -13.909 15.719 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.480 -10.517 14.001 1.00 0.00 H new ATOM 0 HD12 ILE S 57 22.469 -11.907 13.493 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.702 -12.074 13.631 1.00 0.00 H new ATOM 2586 N VAL S 58 24.396 -13.349 16.714 1.00 0.00 N ATOM 2587 CA VAL S 58 25.877 -13.499 16.853 1.00 0.00 C ATOM 2588 C VAL S 58 26.277 -14.063 18.221 1.00 0.00 C ATOM 2589 O VAL S 58 26.997 -15.042 18.310 1.00 0.00 O ATOM 2590 CB VAL S 58 26.515 -12.114 16.699 1.00 0.00 C ATOM 2591 CG1 VAL S 58 28.002 -12.206 17.044 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.362 -11.645 15.249 1.00 0.00 C ATOM 0 H VAL S 58 24.088 -12.529 16.190 1.00 0.00 H new ATOM 0 HA VAL S 58 26.220 -14.195 16.088 1.00 0.00 H new ATOM 0 HB VAL S 58 26.024 -11.406 17.367 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.462 -11.224 16.936 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.116 -12.550 18.072 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.489 -12.910 16.370 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.815 -10.660 15.136 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.859 -12.351 14.584 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.304 -11.589 14.994 1.00 0.00 H new ATOM 2602 N GLU S 59 25.805 -13.442 19.265 1.00 0.00 N ATOM 2603 CA GLU S 59 26.154 -13.932 20.627 1.00 0.00 C ATOM 2604 C GLU S 59 25.724 -15.385 20.837 1.00 0.00 C ATOM 2605 O GLU S 59 26.547 -16.238 21.108 1.00 0.00 O ATOM 2606 CB GLU S 59 25.438 -13.051 21.655 1.00 0.00 C ATOM 2607 CG GLU S 59 25.813 -13.511 23.063 1.00 0.00 C ATOM 2608 CD GLU S 59 24.783 -14.532 23.550 1.00 0.00 C ATOM 2609 OE1 GLU S 59 23.640 -14.128 23.683 1.00 0.00 O ATOM 2610 OE2 GLU S 59 25.198 -15.660 23.758 1.00 0.00 O ATOM 0 H GLU S 59 25.198 -12.623 19.236 1.00 0.00 H new ATOM 0 HA GLU S 59 27.237 -13.882 20.744 1.00 0.00 H new ATOM 0 HB2 GLU S 59 25.718 -12.007 21.514 1.00 0.00 H new ATOM 0 HB3 GLU S 59 24.359 -13.113 21.515 1.00 0.00 H new ATOM 0 HG2 GLU S 59 26.809 -13.954 23.060 1.00 0.00 H new ATOM 0 HG3 GLU S 59 25.845 -12.658 23.741 1.00 0.00 H new ATOM 2617 N GLU S 60 24.444 -15.636 20.718 1.00 0.00 N ATOM 2618 CA GLU S 60 23.938 -17.028 20.910 1.00 0.00 C ATOM 2619 C GLU S 60 24.899 -18.059 20.311 1.00 0.00 C ATOM 2620 O GLU S 60 25.047 -19.147 20.829 1.00 0.00 O ATOM 2621 CB GLU S 60 22.574 -17.149 20.217 1.00 0.00 C ATOM 2622 CG GLU S 60 21.736 -18.216 20.928 1.00 0.00 C ATOM 2623 CD GLU S 60 22.477 -19.552 20.893 1.00 0.00 C ATOM 2624 OE1 GLU S 60 22.420 -20.177 19.847 1.00 0.00 O ATOM 2625 OE2 GLU S 60 23.062 -19.874 21.914 1.00 0.00 O ATOM 0 H GLU S 60 23.731 -14.940 20.497 1.00 0.00 H new ATOM 0 HA GLU S 60 23.853 -17.226 21.978 1.00 0.00 H new ATOM 0 HB2 GLU S 60 22.056 -16.190 20.239 1.00 0.00 H new ATOM 0 HB3 GLU S 60 22.709 -17.415 19.169 1.00 0.00 H new ATOM 0 HG2 GLU S 60 21.549 -17.919 21.960 1.00 0.00 H new ATOM 0 HG3 GLU S 60 20.765 -18.314 20.443 1.00 0.00 H new ATOM 3131 N VAL S 94 26.479 -18.706 4.482 1.00 0.00 N ATOM 3132 CA VAL S 94 27.793 -19.336 4.216 1.00 0.00 C ATOM 3133 C VAL S 94 28.853 -18.244 4.127 1.00 0.00 C ATOM 3134 O VAL S 94 30.037 -18.501 4.219 1.00 0.00 O ATOM 3135 CB VAL S 94 27.723 -20.098 2.882 1.00 0.00 C ATOM 3136 CG1 VAL S 94 29.046 -20.835 2.655 1.00 0.00 C ATOM 3137 CG2 VAL S 94 26.588 -21.128 2.938 1.00 0.00 C ATOM 0 HA VAL S 94 28.048 -20.030 5.017 1.00 0.00 H new ATOM 0 HB VAL S 94 27.541 -19.393 2.071 1.00 0.00 H new ATOM 0 HG11 VAL S 94 29.003 -21.377 1.711 1.00 0.00 H new ATOM 0 HG12 VAL S 94 29.863 -20.114 2.623 1.00 0.00 H new ATOM 0 HG13 VAL S 94 29.215 -21.539 3.470 1.00 0.00 H new ATOM 0 HG21 VAL S 94 26.539 -21.667 1.992 1.00 0.00 H new ATOM 0 HG22 VAL S 94 26.776 -21.833 3.748 1.00 0.00 H new ATOM 0 HG23 VAL S 94 25.641 -20.617 3.113 1.00 0.00 H new ATOM 3147 N GLU S 95 28.391 -17.031 3.961 1.00 0.00 N ATOM 3148 CA GLU S 95 29.336 -15.887 3.864 1.00 0.00 C ATOM 3149 C GLU S 95 29.668 -15.387 5.264 1.00 0.00 C ATOM 3150 O GLU S 95 30.689 -14.773 5.493 1.00 0.00 O ATOM 3151 CB GLU S 95 28.666 -14.752 3.080 1.00 0.00 C ATOM 3152 CG GLU S 95 28.049 -15.311 1.796 1.00 0.00 C ATOM 3153 CD GLU S 95 27.359 -14.178 1.032 1.00 0.00 C ATOM 3154 OE1 GLU S 95 28.086 -13.426 0.406 1.00 0.00 O ATOM 3155 OE2 GLU S 95 26.144 -14.131 1.118 1.00 0.00 O ATOM 0 H GLU S 95 27.403 -16.787 3.889 1.00 0.00 H new ATOM 0 HA GLU S 95 30.248 -16.206 3.359 1.00 0.00 H new ATOM 0 HB2 GLU S 95 27.896 -14.280 3.690 1.00 0.00 H new ATOM 0 HB3 GLU S 95 29.398 -13.981 2.838 1.00 0.00 H new ATOM 0 HG2 GLU S 95 28.821 -15.766 1.176 1.00 0.00 H new ATOM 0 HG3 GLU S 95 27.330 -16.094 2.035 1.00 0.00 H new ATOM 3162 N LEU S 96 28.773 -15.659 6.175 1.00 0.00 N ATOM 3163 CA LEU S 96 28.983 -15.227 7.579 1.00 0.00 C ATOM 3164 C LEU S 96 30.044 -16.096 8.253 1.00 0.00 C ATOM 3165 O LEU S 96 30.910 -15.599 8.947 1.00 0.00 O ATOM 3166 CB LEU S 96 27.652 -15.397 8.329 1.00 0.00 C ATOM 3167 CG LEU S 96 27.268 -14.072 9.003 1.00 0.00 C ATOM 3168 CD1 LEU S 96 25.882 -14.212 9.638 1.00 0.00 C ATOM 3169 CD2 LEU S 96 28.281 -13.732 10.101 1.00 0.00 C ATOM 0 H LEU S 96 27.904 -16.164 6.003 1.00 0.00 H new ATOM 0 HA LEU S 96 29.318 -14.190 7.597 1.00 0.00 H new ATOM 0 HB2 LEU S 96 26.869 -15.704 7.636 1.00 0.00 H new ATOM 0 HB3 LEU S 96 27.742 -16.184 9.077 1.00 0.00 H new ATOM 0 HG LEU S 96 27.262 -13.280 8.254 1.00 0.00 H new ATOM 0 HD11 LEU S 96 25.605 -13.273 10.118 1.00 0.00 H new ATOM 0 HD12 LEU S 96 25.151 -14.455 8.867 1.00 0.00 H new ATOM 0 HD13 LEU S 96 25.902 -15.008 10.382 1.00 0.00 H new ATOM 0 HD21 LEU S 96 28.002 -12.791 10.575 1.00 0.00 H new ATOM 0 HD22 LEU S 96 28.288 -14.526 10.848 1.00 0.00 H new ATOM 0 HD23 LEU S 96 29.274 -13.637 9.663 1.00 0.00 H new ATOM 3181 N ARG S 97 29.959 -17.380 8.024 1.00 0.00 N ATOM 3182 CA ARG S 97 30.938 -18.304 8.629 1.00 0.00 C ATOM 3183 C ARG S 97 32.368 -17.871 8.323 1.00 0.00 C ATOM 3184 O ARG S 97 33.269 -18.105 9.100 1.00 0.00 O ATOM 3185 CB ARG S 97 30.704 -19.682 8.010 1.00 0.00 C ATOM 3186 CG ARG S 97 29.256 -20.115 8.252 1.00 0.00 C ATOM 3187 CD ARG S 97 29.066 -21.537 7.718 1.00 0.00 C ATOM 3188 NE ARG S 97 29.509 -22.506 8.759 1.00 0.00 N ATOM 3189 CZ ARG S 97 28.663 -23.386 9.219 1.00 0.00 C ATOM 3190 NH1 ARG S 97 27.817 -23.942 8.396 1.00 0.00 N ATOM 3191 NH2 ARG S 97 28.697 -23.686 10.486 1.00 0.00 N ATOM 0 H ARG S 97 29.248 -17.821 7.441 1.00 0.00 H new ATOM 0 HA ARG S 97 30.809 -18.313 9.711 1.00 0.00 H new ATOM 0 HB2 ARG S 97 30.911 -19.651 6.940 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.389 -20.409 8.446 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.025 -20.078 9.317 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.570 -19.431 7.753 1.00 0.00 H new ATOM 0 HD2 ARG S 97 28.020 -21.708 7.465 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.642 -21.676 6.803 1.00 0.00 H new ATOM 0 HE ARG S 97 30.467 -22.482 9.109 1.00 0.00 H new ATOM 0 HH11 ARG S 97 27.823 -23.687 7.408 1.00 0.00 H new ATOM 0 HH12 ARG S 97 27.149 -24.632 8.740 1.00 0.00 H new ATOM 0 HH21 ARG S 97 29.377 -23.235 11.099 1.00 0.00 H new ATOM 0 HH22 ARG S 97 28.044 -24.372 10.865 1.00 0.00 H new ATOM 3205 N GLN S 98 32.544 -17.244 7.197 1.00 0.00 N ATOM 3206 CA GLN S 98 33.895 -16.788 6.818 1.00 0.00 C ATOM 3207 C GLN S 98 34.584 -16.075 7.970 1.00 0.00 C ATOM 3208 O GLN S 98 35.598 -16.523 8.469 1.00 0.00 O ATOM 3209 CB GLN S 98 33.729 -15.792 5.678 1.00 0.00 C ATOM 3210 CG GLN S 98 33.322 -16.537 4.412 1.00 0.00 C ATOM 3211 CD GLN S 98 34.581 -16.934 3.636 1.00 0.00 C ATOM 3212 OE1 GLN S 98 34.810 -18.094 3.356 1.00 0.00 O ATOM 3213 NE2 GLN S 98 35.420 -16.004 3.271 1.00 0.00 N ATOM 0 H GLN S 98 31.807 -17.030 6.526 1.00 0.00 H new ATOM 0 HA GLN S 98 34.500 -17.650 6.536 1.00 0.00 H new ATOM 0 HB2 GLN S 98 32.973 -15.050 5.936 1.00 0.00 H new ATOM 0 HB3 GLN S 98 34.662 -15.253 5.512 1.00 0.00 H new ATOM 0 HG2 GLN S 98 32.743 -17.424 4.668 1.00 0.00 H new ATOM 0 HG3 GLN S 98 32.683 -15.906 3.794 1.00 0.00 H new ATOM 0 HE21 GLN S 98 35.233 -15.029 3.503 1.00 0.00 H new ATOM 0 HE22 GLN S 98 36.263 -16.252 2.753 1.00 0.00 H new ATOM 3222 N TRP S 99 34.015 -14.976 8.375 1.00 0.00 N ATOM 3223 CA TRP S 99 34.625 -14.217 9.493 1.00 0.00 C ATOM 3224 C TRP S 99 34.239 -14.777 10.863 1.00 0.00 C ATOM 3225 O TRP S 99 35.094 -15.114 11.667 1.00 0.00 O ATOM 3226 CB TRP S 99 34.150 -12.761 9.427 1.00 0.00 C ATOM 3227 CG TRP S 99 34.787 -12.035 10.577 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.098 -11.770 10.664 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.125 -11.450 11.552 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.177 -10.978 11.721 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.997 -10.725 12.326 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.774 -11.455 11.857 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.532 -9.998 13.368 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.316 -10.713 12.911 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.202 -9.984 13.662 1.00 0.00 C ATOM 0 H TRP S 99 33.163 -14.575 7.983 1.00 0.00 H new ATOM 0 HA TRP S 99 35.707 -14.297 9.384 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.435 -12.306 8.479 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.063 -12.707 9.492 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.897 -12.119 10.026 1.00 0.00 H new ATOM 0 HE1 TRP S 99 37.060 -10.589 12.053 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.086 -12.041 11.266 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.220 -9.425 13.971 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.263 -10.701 13.150 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.843 -9.395 14.493 1.00 0.00 H new ATOM 3246 N LEU S 100 32.961 -14.829 11.105 1.00 0.00 N ATOM 3247 CA LEU S 100 32.457 -15.355 12.407 1.00 0.00 C ATOM 3248 C LEU S 100 33.355 -16.441 13.004 1.00 0.00 C ATOM 3249 O LEU S 100 33.775 -16.340 14.130 1.00 0.00 O ATOM 3250 CB LEU S 100 31.062 -15.922 12.177 1.00 0.00 C ATOM 3251 CG LEU S 100 30.177 -15.548 13.368 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.720 -14.094 13.230 1.00 0.00 C ATOM 3253 CD2 LEU S 100 28.953 -16.459 13.384 1.00 0.00 C ATOM 0 H LEU S 100 32.236 -14.528 10.453 1.00 0.00 H new ATOM 0 HA LEU S 100 32.447 -14.532 13.122 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.640 -15.525 11.254 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.108 -17.005 12.066 1.00 0.00 H new ATOM 0 HG LEU S 100 30.741 -15.665 14.294 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.090 -13.829 14.079 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.591 -13.439 13.206 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.153 -13.977 12.306 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.317 -16.199 14.230 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.393 -16.333 12.457 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.273 -17.497 13.476 1.00 0.00 H new ATOM 3265 N GLU S 101 33.645 -17.452 12.238 1.00 0.00 N ATOM 3266 CA GLU S 101 34.512 -18.544 12.763 1.00 0.00 C ATOM 3267 C GLU S 101 35.846 -18.015 13.298 1.00 0.00 C ATOM 3268 O GLU S 101 36.328 -18.466 14.317 1.00 0.00 O ATOM 3269 CB GLU S 101 34.790 -19.515 11.601 1.00 0.00 C ATOM 3270 CG GLU S 101 36.161 -20.180 11.773 1.00 0.00 C ATOM 3271 CD GLU S 101 36.242 -21.404 10.859 1.00 0.00 C ATOM 3272 OE1 GLU S 101 35.931 -21.228 9.692 1.00 0.00 O ATOM 3273 OE2 GLU S 101 36.612 -22.445 11.378 1.00 0.00 O ATOM 0 H GLU S 101 33.323 -17.571 11.278 1.00 0.00 H new ATOM 0 HA GLU S 101 33.999 -19.033 13.591 1.00 0.00 H new ATOM 0 HB2 GLU S 101 34.012 -20.277 11.562 1.00 0.00 H new ATOM 0 HB3 GLU S 101 34.757 -18.977 10.654 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.955 -19.474 11.528 1.00 0.00 H new ATOM 0 HG3 GLU S 101 36.308 -20.476 12.812 1.00 0.00 H new ATOM 3280 N GLU S 102 36.410 -17.069 12.608 1.00 0.00 N ATOM 3281 CA GLU S 102 37.712 -16.506 13.059 1.00 0.00 C ATOM 3282 C GLU S 102 37.626 -15.770 14.401 1.00 0.00 C ATOM 3283 O GLU S 102 38.550 -15.841 15.187 1.00 0.00 O ATOM 3284 CB GLU S 102 38.190 -15.516 11.990 1.00 0.00 C ATOM 3285 CG GLU S 102 38.098 -16.188 10.619 1.00 0.00 C ATOM 3286 CD GLU S 102 39.001 -15.451 9.630 1.00 0.00 C ATOM 3287 OE1 GLU S 102 38.929 -14.233 9.634 1.00 0.00 O ATOM 3288 OE2 GLU S 102 39.713 -16.147 8.926 1.00 0.00 O ATOM 0 H GLU S 102 36.029 -16.661 11.754 1.00 0.00 H new ATOM 0 HA GLU S 102 38.402 -17.339 13.198 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.578 -14.614 12.010 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.216 -15.209 12.192 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.398 -17.233 10.693 1.00 0.00 H new ATOM 0 HG3 GLU S 102 37.067 -16.177 10.265 1.00 0.00 H new ATOM 3295 N VAL S 103 36.534 -15.090 14.650 1.00 0.00 N ATOM 3296 CA VAL S 103 36.420 -14.354 15.952 1.00 0.00 C ATOM 3297 C VAL S 103 35.539 -15.059 16.996 1.00 0.00 C ATOM 3298 O VAL S 103 35.776 -14.927 18.180 1.00 0.00 O ATOM 3299 CB VAL S 103 35.819 -12.973 15.666 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.492 -13.137 14.921 1.00 0.00 C ATOM 3301 CG2 VAL S 103 35.571 -12.251 16.993 1.00 0.00 C ATOM 0 H VAL S 103 35.732 -15.011 14.025 1.00 0.00 H new ATOM 0 HA VAL S 103 37.423 -14.299 16.375 1.00 0.00 H new ATOM 0 HB VAL S 103 36.508 -12.393 15.053 1.00 0.00 H new ATOM 0 HG11 VAL S 103 34.065 -12.155 14.718 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.665 -13.659 13.980 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.800 -13.714 15.534 1.00 0.00 H new ATOM 0 HG21 VAL S 103 35.143 -11.268 16.798 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.878 -12.834 17.600 1.00 0.00 H new ATOM 0 HG23 VAL S 103 36.514 -12.137 17.527 1.00 0.00 H new ATOM 3311 N LEU S 104 34.552 -15.790 16.560 1.00 0.00 N ATOM 3312 CA LEU S 104 33.679 -16.484 17.550 1.00 0.00 C ATOM 3313 C LEU S 104 34.264 -17.827 17.984 1.00 0.00 C ATOM 3314 O LEU S 104 34.625 -18.004 19.130 1.00 0.00 O ATOM 3315 CB LEU S 104 32.300 -16.729 16.911 1.00 0.00 C ATOM 3316 CG LEU S 104 31.208 -16.038 17.742 1.00 0.00 C ATOM 3317 CD1 LEU S 104 31.220 -14.536 17.448 1.00 0.00 C ATOM 3318 CD2 LEU S 104 29.843 -16.611 17.357 1.00 0.00 C ATOM 0 H LEU S 104 34.313 -15.937 15.579 1.00 0.00 H new ATOM 0 HA LEU S 104 33.599 -15.848 18.432 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.289 -16.346 15.890 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.102 -17.799 16.852 1.00 0.00 H new ATOM 0 HG LEU S 104 31.395 -16.207 18.802 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.446 -14.044 18.037 1.00 0.00 H new ATOM 0 HD12 LEU S 104 32.194 -14.122 17.710 1.00 0.00 H new ATOM 0 HD13 LEU S 104 31.029 -14.371 16.388 1.00 0.00 H new ATOM 0 HD21 LEU S 104 29.065 -16.123 17.944 1.00 0.00 H new ATOM 0 HD22 LEU S 104 29.661 -16.436 16.297 1.00 0.00 H new ATOM 0 HD23 LEU S 104 29.829 -17.683 17.555 1.00 0.00 H new ATOM 3330 N LEU S 105 34.348 -18.751 17.064 1.00 0.00 N ATOM 3331 CA LEU S 105 34.910 -20.083 17.420 1.00 0.00 C ATOM 3332 C LEU S 105 36.292 -19.946 18.065 1.00 0.00 C ATOM 3333 O LEU S 105 36.884 -20.926 18.473 1.00 0.00 O ATOM 3334 CB LEU S 105 35.041 -20.916 16.128 1.00 0.00 C ATOM 3335 CG LEU S 105 33.875 -21.918 15.983 1.00 0.00 C ATOM 3336 CD1 LEU S 105 33.868 -22.882 17.173 1.00 0.00 C ATOM 3337 CD2 LEU S 105 32.529 -21.179 15.914 1.00 0.00 C ATOM 0 H LEU S 105 34.055 -18.642 16.093 1.00 0.00 H new ATOM 0 HA LEU S 105 34.245 -20.567 18.135 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.060 -20.251 15.265 1.00 0.00 H new ATOM 0 HB3 LEU S 105 35.988 -21.456 16.136 1.00 0.00 H new ATOM 0 HG LEU S 105 34.015 -22.478 15.058 1.00 0.00 H new ATOM 0 HD11 LEU S 105 33.043 -23.587 17.066 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.811 -23.428 17.204 1.00 0.00 H new ATOM 0 HD13 LEU S 105 33.745 -22.318 18.098 1.00 0.00 H new ATOM 0 HD21 LEU S 105 31.721 -21.903 15.812 1.00 0.00 H new ATOM 0 HD22 LEU S 105 32.384 -20.600 16.826 1.00 0.00 H new ATOM 0 HD23 LEU S 105 32.526 -20.508 15.055 1.00 0.00 H new