USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -3.65! C(o=-3.5!,f=-4.3!) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.186 X(o=-3.5,f=-3.8) USER MOD Set 2.1: A 9 SER OG : rot -161:sc= 0.138 USER MOD Set 2.2: A 12 GLN : amide:sc= 0.743 X(o=0.88,f=1.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.025) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.314 USER MOD Single : A 32 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.011) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -14:sc= -2.37 USER MOD Single : A 36 SER OG : rot 85:sc= 0.0174 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0709) USER MOD Single : A 50 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.034) USER MOD Single : A 51 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.563 -6.785 3.288 1.00 0.00 N ATOM 176 CA SER A 9 -9.428 -7.813 2.720 1.00 0.00 C ATOM 177 C SER A 9 -9.045 -8.099 1.273 1.00 0.00 C ATOM 178 O SER A 9 -8.390 -7.284 0.624 1.00 0.00 O ATOM 179 CB SER A 9 -10.891 -7.376 2.792 1.00 0.00 C ATOM 180 OG SER A 9 -11.211 -6.488 1.734 1.00 0.00 O ATOM 0 HA SER A 9 -9.300 -8.725 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.538 -8.252 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.082 -6.890 3.749 1.00 0.00 H new ATOM 0 HG SER A 9 -12.027 -5.994 1.957 1.00 0.00 H new ATOM 186 N SER A 10 -9.460 -9.257 0.770 1.00 0.00 N ATOM 187 CA SER A 10 -9.162 -9.639 -0.605 1.00 0.00 C ATOM 188 C SER A 10 -9.602 -8.550 -1.577 1.00 0.00 C ATOM 189 O SER A 10 -8.898 -8.236 -2.535 1.00 0.00 O ATOM 190 CB SER A 10 -9.852 -10.959 -0.952 1.00 0.00 C ATOM 191 OG SER A 10 -8.995 -12.063 -0.714 1.00 0.00 O ATOM 0 H SER A 10 -10.002 -9.945 1.292 1.00 0.00 H new ATOM 0 HA SER A 10 -8.083 -9.768 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.760 -11.065 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.155 -10.950 -1.999 1.00 0.00 H new ATOM 0 HG SER A 10 -9.461 -12.894 -0.942 1.00 0.00 H new ATOM 197 N GLU A 11 -10.774 -7.975 -1.319 1.00 0.00 N ATOM 198 CA GLU A 11 -11.317 -6.919 -2.167 1.00 0.00 C ATOM 199 C GLU A 11 -10.472 -5.652 -2.077 1.00 0.00 C ATOM 200 O GLU A 11 -10.160 -5.027 -3.094 1.00 0.00 O ATOM 201 CB GLU A 11 -12.761 -6.610 -1.765 1.00 0.00 C ATOM 202 CG GLU A 11 -13.680 -6.353 -2.948 1.00 0.00 C ATOM 203 CD GLU A 11 -13.551 -4.944 -3.491 1.00 0.00 C ATOM 204 OE1 GLU A 11 -13.393 -4.006 -2.681 1.00 0.00 O ATOM 205 OE2 GLU A 11 -13.605 -4.777 -4.728 1.00 0.00 O ATOM 0 H GLU A 11 -11.367 -8.224 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.297 -7.272 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.154 -7.445 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.769 -5.737 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.454 -7.066 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.712 -6.529 -2.646 1.00 0.00 H new ATOM 212 N GLN A 12 -10.101 -5.275 -0.858 1.00 0.00 N ATOM 213 CA GLN A 12 -9.295 -4.078 -0.647 1.00 0.00 C ATOM 214 C GLN A 12 -7.922 -4.241 -1.280 1.00 0.00 C ATOM 215 O GLN A 12 -7.414 -3.327 -1.931 1.00 0.00 O ATOM 216 CB GLN A 12 -9.148 -3.789 0.849 1.00 0.00 C ATOM 217 CG GLN A 12 -10.451 -3.397 1.526 1.00 0.00 C ATOM 218 CD GLN A 12 -10.324 -3.332 3.036 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.796 -4.249 3.666 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.810 -2.245 3.625 1.00 0.00 N ATOM 0 H GLN A 12 -10.344 -5.778 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.802 -3.238 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.744 -4.673 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.422 -2.987 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.775 -2.427 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.226 -4.116 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.239 -1.510 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.754 -2.146 4.639 1.00 0.00 H new ATOM 229 N LEU A 13 -7.327 -5.413 -1.097 1.00 0.00 N ATOM 230 CA LEU A 13 -6.017 -5.693 -1.663 1.00 0.00 C ATOM 231 C LEU A 13 -6.097 -5.739 -3.183 1.00 0.00 C ATOM 232 O LEU A 13 -5.171 -5.320 -3.871 1.00 0.00 O ATOM 233 CB LEU A 13 -5.468 -7.021 -1.132 1.00 0.00 C ATOM 234 CG LEU A 13 -4.788 -6.967 0.244 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.781 -8.097 0.375 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.104 -5.626 0.473 1.00 0.00 C ATOM 0 H LEU A 13 -7.731 -6.182 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.341 -4.892 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.289 -7.736 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.750 -7.410 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.560 -7.084 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.305 -8.049 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.292 -9.054 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.023 -8.000 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.633 -5.621 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.346 -5.469 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.843 -4.827 0.421 1.00 0.00 H new ATOM 248 N ALA A 14 -7.211 -6.249 -3.699 1.00 0.00 N ATOM 249 CA ALA A 14 -7.409 -6.344 -5.140 1.00 0.00 C ATOM 250 C ALA A 14 -7.374 -4.962 -5.778 1.00 0.00 C ATOM 251 O ALA A 14 -6.698 -4.748 -6.784 1.00 0.00 O ATOM 252 CB ALA A 14 -8.725 -7.040 -5.455 1.00 0.00 C ATOM 0 H ALA A 14 -7.989 -6.602 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.596 -6.938 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.855 -7.101 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.715 -8.045 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.549 -6.473 -5.022 1.00 0.00 H new ATOM 258 N ARG A 15 -8.107 -4.027 -5.185 1.00 0.00 N ATOM 259 CA ARG A 15 -8.153 -2.662 -5.697 1.00 0.00 C ATOM 260 C ARG A 15 -6.780 -2.004 -5.600 1.00 0.00 C ATOM 261 O ARG A 15 -6.299 -1.399 -6.559 1.00 0.00 O ATOM 262 CB ARG A 15 -9.183 -1.835 -4.926 1.00 0.00 C ATOM 263 CG ARG A 15 -10.569 -2.457 -4.903 1.00 0.00 C ATOM 264 CD ARG A 15 -11.236 -2.386 -6.267 1.00 0.00 C ATOM 265 NE ARG A 15 -12.689 -2.489 -6.170 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.481 -1.479 -5.819 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.966 -0.289 -5.538 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.793 -1.659 -5.750 1.00 0.00 N ATOM 0 H ARG A 15 -8.675 -4.187 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.448 -2.703 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.836 -1.702 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.247 -0.842 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.496 -3.497 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.187 -1.942 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.971 -1.447 -6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.857 -3.189 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.122 -3.387 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.958 -0.144 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.578 0.481 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.195 -2.571 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.400 -0.885 -5.481 1.00 0.00 H new ATOM 282 N LEU A 16 -6.154 -2.131 -4.434 1.00 0.00 N ATOM 283 CA LEU A 16 -4.837 -1.552 -4.206 1.00 0.00 C ATOM 284 C LEU A 16 -3.804 -2.158 -5.153 1.00 0.00 C ATOM 285 O LEU A 16 -2.962 -1.447 -5.702 1.00 0.00 O ATOM 286 CB LEU A 16 -4.409 -1.769 -2.753 1.00 0.00 C ATOM 287 CG LEU A 16 -5.029 -0.798 -1.744 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.271 -1.493 -0.414 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.136 0.418 -1.558 1.00 0.00 C ATOM 0 H LEU A 16 -6.539 -2.631 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.897 -0.482 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.668 -2.787 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.324 -1.687 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.990 -0.462 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.712 -0.787 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.951 -2.332 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.324 -1.858 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.592 1.097 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.161 0.100 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.014 0.930 -2.513 1.00 0.00 H new ATOM 301 N LYS A 17 -3.876 -3.472 -5.345 1.00 0.00 N ATOM 302 CA LYS A 17 -2.947 -4.163 -6.234 1.00 0.00 C ATOM 303 C LYS A 17 -3.108 -3.666 -7.666 1.00 0.00 C ATOM 304 O LYS A 17 -2.125 -3.468 -8.380 1.00 0.00 O ATOM 305 CB LYS A 17 -3.171 -5.678 -6.179 1.00 0.00 C ATOM 306 CG LYS A 17 -1.951 -6.454 -5.704 1.00 0.00 C ATOM 307 CD LYS A 17 -2.291 -7.395 -4.556 1.00 0.00 C ATOM 308 CE LYS A 17 -1.958 -8.838 -4.898 1.00 0.00 C ATOM 309 NZ LYS A 17 -2.599 -9.797 -3.954 1.00 0.00 N ATOM 0 H LYS A 17 -4.565 -4.078 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.933 -3.947 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.008 -5.890 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.454 -6.032 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.539 -7.028 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.178 -5.755 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.741 -7.096 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.352 -7.312 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.287 -9.055 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.877 -8.976 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.347 -10.770 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.266 -9.607 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.632 -9.684 -3.993 1.00 0.00 H new ATOM 323 N ARG A 18 -4.358 -3.463 -8.076 1.00 0.00 N ATOM 324 CA ARG A 18 -4.652 -2.982 -9.420 1.00 0.00 C ATOM 325 C ARG A 18 -4.009 -1.621 -9.647 1.00 0.00 C ATOM 326 O ARG A 18 -3.368 -1.385 -10.672 1.00 0.00 O ATOM 327 CB ARG A 18 -6.165 -2.892 -9.633 1.00 0.00 C ATOM 328 CG ARG A 18 -6.698 -3.886 -10.653 1.00 0.00 C ATOM 329 CD ARG A 18 -8.215 -3.979 -10.600 1.00 0.00 C ATOM 330 NE ARG A 18 -8.680 -5.366 -10.613 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.911 -6.063 -11.722 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.712 -5.517 -12.916 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.339 -7.315 -11.639 1.00 0.00 N ATOM 0 H ARG A 18 -5.181 -3.624 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.238 -3.689 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.668 -3.058 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.418 -1.882 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.386 -3.586 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.265 -4.869 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.577 -3.484 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.641 -3.446 -11.450 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.837 -5.827 -9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.379 -4.555 -12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.892 -6.059 -13.761 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.491 -7.743 -10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.517 -7.851 -12.489 1.00 0.00 H new ATOM 347 N GLU A 19 -4.178 -0.729 -8.677 1.00 0.00 N ATOM 348 CA GLU A 19 -3.605 0.607 -8.762 1.00 0.00 C ATOM 349 C GLU A 19 -2.086 0.543 -8.647 1.00 0.00 C ATOM 350 O GLU A 19 -1.372 1.350 -9.242 1.00 0.00 O ATOM 351 CB GLU A 19 -4.178 1.503 -7.661 1.00 0.00 C ATOM 352 CG GLU A 19 -5.253 2.458 -8.153 1.00 0.00 C ATOM 353 CD GLU A 19 -4.739 3.423 -9.204 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.647 3.021 -10.383 1.00 0.00 O ATOM 355 OE2 GLU A 19 -4.429 4.579 -8.848 1.00 0.00 O ATOM 0 H GLU A 19 -4.707 -0.908 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.865 1.032 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.594 0.875 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.368 2.080 -7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.082 1.884 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.647 3.023 -7.308 1.00 0.00 H new ATOM 362 N PHE A 20 -1.601 -0.428 -7.879 1.00 0.00 N ATOM 363 CA PHE A 20 -0.168 -0.608 -7.683 1.00 0.00 C ATOM 364 C PHE A 20 0.518 -0.998 -8.989 1.00 0.00 C ATOM 365 O PHE A 20 1.627 -0.549 -9.277 1.00 0.00 O ATOM 366 CB PHE A 20 0.092 -1.675 -6.620 1.00 0.00 C ATOM 367 CG PHE A 20 1.544 -1.838 -6.282 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.171 -0.954 -5.420 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.284 -2.873 -6.829 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.510 -1.099 -5.109 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.622 -3.024 -6.522 1.00 0.00 C ATOM 372 CZ PHE A 20 4.236 -2.136 -5.661 1.00 0.00 C ATOM 0 H PHE A 20 -2.182 -1.103 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 20 0.248 0.341 -7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.457 -1.417 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.301 -2.629 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.607 -0.142 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.809 -3.570 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.988 -0.403 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.188 -3.836 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.282 -2.252 -5.420 1.00 0.00 H new ATOM 382 N ASN A 21 -0.151 -1.837 -9.776 1.00 0.00 N ATOM 383 CA ASN A 21 0.398 -2.286 -11.052 1.00 0.00 C ATOM 384 C ASN A 21 0.592 -1.109 -12.000 1.00 0.00 C ATOM 385 O ASN A 21 1.505 -1.108 -12.827 1.00 0.00 O ATOM 386 CB ASN A 21 -0.524 -3.325 -11.691 1.00 0.00 C ATOM 387 CG ASN A 21 0.182 -4.147 -12.752 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.087 -3.857 -13.944 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.896 -5.182 -12.322 1.00 0.00 N ATOM 0 H ASN A 21 -1.071 -2.218 -9.554 1.00 0.00 H new ATOM 0 HA ASN A 21 1.369 -2.743 -10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.910 -3.989 -10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.382 -2.821 -12.136 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.392 -5.772 -12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.948 -5.387 -11.324 1.00 0.00 H new ATOM 396 N GLU A 22 -0.268 -0.105 -11.872 1.00 0.00 N ATOM 397 CA GLU A 22 -0.188 1.083 -12.711 1.00 0.00 C ATOM 398 C GLU A 22 0.836 2.061 -12.149 1.00 0.00 C ATOM 399 O GLU A 22 1.507 2.775 -12.894 1.00 0.00 O ATOM 400 CB GLU A 22 -1.557 1.759 -12.804 1.00 0.00 C ATOM 401 CG GLU A 22 -2.623 0.890 -13.448 1.00 0.00 C ATOM 402 CD GLU A 22 -3.838 1.685 -13.885 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.768 1.844 -13.067 1.00 0.00 O ATOM 404 OE2 GLU A 22 -3.859 2.148 -15.044 1.00 0.00 O ATOM 0 H GLU A 22 -1.030 -0.091 -11.194 1.00 0.00 H new ATOM 0 HA GLU A 22 0.126 0.780 -13.710 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.884 2.038 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.459 2.682 -13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.197 0.380 -14.312 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.933 0.119 -12.743 1.00 0.00 H new ATOM 411 N ASN A 23 0.948 2.083 -10.826 1.00 0.00 N ATOM 412 CA ASN A 23 1.888 2.967 -10.147 1.00 0.00 C ATOM 413 C ASN A 23 2.185 2.457 -8.740 1.00 0.00 C ATOM 414 O ASN A 23 1.328 2.508 -7.859 1.00 0.00 O ATOM 415 CB ASN A 23 1.325 4.389 -10.084 1.00 0.00 C ATOM 416 CG ASN A 23 2.331 5.428 -10.535 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.366 5.811 -11.705 1.00 0.00 O ATOM 418 ND2 ASN A 23 3.157 5.891 -9.605 1.00 0.00 N ATOM 0 H ASN A 23 0.397 1.496 -10.200 1.00 0.00 H new ATOM 0 HA ASN A 23 2.819 2.980 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.435 4.453 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.013 4.608 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.856 6.593 -9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.092 5.545 -8.648 1.00 0.00 H new ATOM 425 N ARG A 24 3.403 1.962 -8.535 1.00 0.00 N ATOM 426 CA ARG A 24 3.805 1.440 -7.232 1.00 0.00 C ATOM 427 C ARG A 24 4.032 2.561 -6.215 1.00 0.00 C ATOM 428 O ARG A 24 4.369 2.297 -5.060 1.00 0.00 O ATOM 429 CB ARG A 24 5.067 0.582 -7.365 1.00 0.00 C ATOM 430 CG ARG A 24 6.299 1.359 -7.797 1.00 0.00 C ATOM 431 CD ARG A 24 7.562 0.529 -7.634 1.00 0.00 C ATOM 432 NE ARG A 24 7.910 -0.186 -8.860 1.00 0.00 N ATOM 433 CZ ARG A 24 8.719 -1.244 -8.898 1.00 0.00 C ATOM 434 NH1 ARG A 24 9.262 -1.715 -7.782 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.985 -1.834 -10.056 1.00 0.00 N ATOM 0 H ARG A 24 4.127 1.911 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 24 2.988 0.819 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.270 0.102 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.879 -0.213 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.193 1.663 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.382 2.271 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.388 1.179 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.423 -0.187 -6.824 1.00 0.00 H new ATOM 0 HE ARG A 24 7.510 0.144 -9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.061 -1.267 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.880 -2.525 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.570 -1.478 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.604 -2.644 -10.085 1.00 0.00 H new ATOM 449 N TYR A 25 3.836 3.808 -6.639 1.00 0.00 N ATOM 450 CA TYR A 25 4.010 4.952 -5.755 1.00 0.00 C ATOM 451 C TYR A 25 2.653 5.447 -5.268 1.00 0.00 C ATOM 452 O TYR A 25 1.625 4.824 -5.538 1.00 0.00 O ATOM 453 CB TYR A 25 4.748 6.084 -6.478 1.00 0.00 C ATOM 454 CG TYR A 25 6.143 5.717 -6.935 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.356 4.654 -7.806 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.247 6.436 -6.496 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.631 4.319 -8.224 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.524 6.107 -6.910 1.00 0.00 C ATOM 459 CZ TYR A 25 8.711 5.048 -7.773 1.00 0.00 C ATOM 460 OH TYR A 25 9.981 4.718 -8.186 1.00 0.00 O ATOM 0 H TYR A 25 3.557 4.049 -7.590 1.00 0.00 H new ATOM 0 HA TYR A 25 4.606 4.639 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.162 6.390 -7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.810 6.946 -5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.512 4.081 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.105 7.266 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.780 3.490 -8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.372 6.677 -6.559 1.00 0.00 H new ATOM 0 HH TYR A 25 10.627 5.331 -7.777 1.00 0.00 H new ATOM 470 N LEU A 26 2.647 6.567 -4.554 1.00 0.00 N ATOM 471 CA LEU A 26 1.403 7.130 -4.043 1.00 0.00 C ATOM 472 C LEU A 26 1.489 8.648 -3.942 1.00 0.00 C ATOM 473 O LEU A 26 2.512 9.252 -4.265 1.00 0.00 O ATOM 474 CB LEU A 26 1.070 6.543 -2.666 1.00 0.00 C ATOM 475 CG LEU A 26 0.050 5.395 -2.646 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.473 5.189 -1.234 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.114 5.665 -3.588 1.00 0.00 C ATOM 0 H LEU A 26 3.484 7.100 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 26 0.611 6.870 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.995 6.187 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.694 7.347 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 26 0.559 4.493 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.196 4.373 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.356 4.943 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.955 6.103 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.816 4.832 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.621 6.581 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.740 5.776 -4.606 1.00 0.00 H new ATOM 489 N THR A 27 0.399 9.252 -3.484 1.00 0.00 N ATOM 490 CA THR A 27 0.322 10.697 -3.322 1.00 0.00 C ATOM 491 C THR A 27 -0.659 11.043 -2.211 1.00 0.00 C ATOM 492 O THR A 27 -1.444 10.197 -1.785 1.00 0.00 O ATOM 493 CB THR A 27 -0.117 11.359 -4.628 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.507 11.173 -4.838 1.00 0.00 O ATOM 495 CG2 THR A 27 0.609 10.827 -5.845 1.00 0.00 C ATOM 0 H THR A 27 -0.451 8.756 -3.216 1.00 0.00 H new ATOM 0 HA THR A 27 1.311 11.071 -3.057 1.00 0.00 H new ATOM 0 HB THR A 27 0.129 12.415 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.772 11.604 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.249 11.340 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.680 11.000 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.422 9.757 -5.941 1.00 0.00 H new ATOM 503 N GLU A 28 -0.618 12.285 -1.746 1.00 0.00 N ATOM 504 CA GLU A 28 -1.518 12.720 -0.686 1.00 0.00 C ATOM 505 C GLU A 28 -2.971 12.484 -1.089 1.00 0.00 C ATOM 506 O GLU A 28 -3.744 11.879 -0.345 1.00 0.00 O ATOM 507 CB GLU A 28 -1.294 14.200 -0.371 1.00 0.00 C ATOM 508 CG GLU A 28 -0.026 14.468 0.423 1.00 0.00 C ATOM 509 CD GLU A 28 -0.251 14.409 1.920 1.00 0.00 C ATOM 510 OE1 GLU A 28 -0.896 15.333 2.460 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.216 13.439 2.553 1.00 0.00 O ATOM 0 H GLU A 28 0.023 13.003 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.304 12.135 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.253 14.760 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.150 14.577 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.733 13.737 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.364 15.450 0.157 1.00 0.00 H new ATOM 518 N ARG A 29 -3.332 12.961 -2.275 1.00 0.00 N ATOM 519 CA ARG A 29 -4.688 12.800 -2.786 1.00 0.00 C ATOM 520 C ARG A 29 -5.055 11.324 -2.927 1.00 0.00 C ATOM 521 O ARG A 29 -6.178 10.925 -2.621 1.00 0.00 O ATOM 522 CB ARG A 29 -4.837 13.508 -4.134 1.00 0.00 C ATOM 523 CG ARG A 29 -6.136 14.287 -4.268 1.00 0.00 C ATOM 524 CD ARG A 29 -6.620 14.325 -5.707 1.00 0.00 C ATOM 525 NE ARG A 29 -7.144 15.639 -6.074 1.00 0.00 N ATOM 526 CZ ARG A 29 -8.341 16.089 -5.705 1.00 0.00 C ATOM 527 NH1 ARG A 29 -9.143 15.335 -4.963 1.00 0.00 N ATOM 528 NH2 ARG A 29 -8.738 17.298 -6.079 1.00 0.00 N ATOM 0 H ARG A 29 -2.703 13.463 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.371 13.253 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.998 14.189 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.782 12.768 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.900 13.832 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.990 15.305 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.798 14.064 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.396 13.573 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.558 16.247 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.843 14.404 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.059 15.686 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.126 17.882 -6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.655 17.644 -5.797 1.00 0.00 H new ATOM 542 N ARG A 30 -4.106 10.516 -3.399 1.00 0.00 N ATOM 543 CA ARG A 30 -4.345 9.089 -3.584 1.00 0.00 C ATOM 544 C ARG A 30 -4.540 8.392 -2.243 1.00 0.00 C ATOM 545 O ARG A 30 -5.433 7.559 -2.089 1.00 0.00 O ATOM 546 CB ARG A 30 -3.183 8.446 -4.341 1.00 0.00 C ATOM 547 CG ARG A 30 -3.295 8.571 -5.852 1.00 0.00 C ATOM 548 CD ARG A 30 -1.926 8.627 -6.511 1.00 0.00 C ATOM 549 NE ARG A 30 -1.692 7.483 -7.388 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.359 7.267 -8.520 1.00 0.00 C ATOM 551 NH1 ARG A 30 -3.305 8.111 -8.912 1.00 0.00 N ATOM 552 NH2 ARG A 30 -2.080 6.202 -9.261 1.00 0.00 N ATOM 0 H ARG A 30 -3.169 10.825 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.257 8.974 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.250 8.906 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.128 7.390 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.856 7.724 -6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.857 9.470 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.839 9.548 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.155 8.657 -5.742 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.975 6.810 -7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.524 8.930 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.813 7.941 -9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.355 5.549 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.591 6.036 -10.128 1.00 0.00 H new ATOM 566 N ARG A 31 -3.701 8.740 -1.273 1.00 0.00 N ATOM 567 CA ARG A 31 -3.785 8.147 0.055 1.00 0.00 C ATOM 568 C ARG A 31 -5.142 8.441 0.686 1.00 0.00 C ATOM 569 O ARG A 31 -5.794 7.551 1.231 1.00 0.00 O ATOM 570 CB ARG A 31 -2.666 8.689 0.948 1.00 0.00 C ATOM 571 CG ARG A 31 -1.686 7.625 1.410 1.00 0.00 C ATOM 572 CD ARG A 31 -0.255 8.135 1.375 1.00 0.00 C ATOM 573 NE ARG A 31 -0.093 9.366 2.145 1.00 0.00 N ATOM 574 CZ ARG A 31 0.034 9.402 3.471 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.013 8.277 4.176 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.178 10.563 4.091 1.00 0.00 N ATOM 0 H ARG A 31 -2.957 9.429 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.671 7.067 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.121 9.461 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.109 9.166 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.937 7.312 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.776 6.745 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.412 7.369 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.041 8.313 0.341 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.076 10.251 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.101 7.381 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.111 8.309 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.192 11.430 3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.275 10.591 5.106 1.00 0.00 H new ATOM 590 N GLN A 32 -5.554 9.701 0.605 1.00 0.00 N ATOM 591 CA GLN A 32 -6.831 10.130 1.165 1.00 0.00 C ATOM 592 C GLN A 32 -7.997 9.468 0.438 1.00 0.00 C ATOM 593 O GLN A 32 -8.992 9.090 1.055 1.00 0.00 O ATOM 594 CB GLN A 32 -6.963 11.652 1.082 1.00 0.00 C ATOM 595 CG GLN A 32 -7.876 12.241 2.145 1.00 0.00 C ATOM 596 CD GLN A 32 -8.852 13.256 1.580 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.894 14.405 2.021 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.641 12.834 0.598 1.00 0.00 N ATOM 0 H GLN A 32 -5.021 10.445 0.156 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.859 9.825 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.974 12.100 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.344 11.922 0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.432 11.437 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.270 12.716 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.571 11.873 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.317 13.471 0.177 1.00 0.00 H new ATOM 607 N GLN A 33 -7.867 9.329 -0.878 1.00 0.00 N ATOM 608 CA GLN A 33 -8.912 8.711 -1.685 1.00 0.00 C ATOM 609 C GLN A 33 -9.036 7.226 -1.359 1.00 0.00 C ATOM 610 O GLN A 33 -10.131 6.729 -1.091 1.00 0.00 O ATOM 611 CB GLN A 33 -8.614 8.898 -3.175 1.00 0.00 C ATOM 612 CG GLN A 33 -9.379 10.049 -3.807 1.00 0.00 C ATOM 613 CD GLN A 33 -10.677 9.603 -4.450 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.726 9.574 -3.805 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.614 9.251 -5.729 1.00 0.00 N ATOM 0 H GLN A 33 -7.050 9.635 -1.407 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.858 9.198 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.545 9.068 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.857 7.977 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.594 10.799 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.752 10.528 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.724 9.290 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.456 8.942 -6.215 1.00 0.00 H new ATOM 624 N LEU A 34 -7.908 6.527 -1.378 1.00 0.00 N ATOM 625 CA LEU A 34 -7.888 5.100 -1.080 1.00 0.00 C ATOM 626 C LEU A 34 -8.283 4.847 0.372 1.00 0.00 C ATOM 627 O LEU A 34 -8.969 3.872 0.680 1.00 0.00 O ATOM 628 CB LEU A 34 -6.497 4.521 -1.347 1.00 0.00 C ATOM 629 CG LEU A 34 -6.206 4.172 -2.807 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.710 4.018 -3.031 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.941 2.900 -3.206 1.00 0.00 C ATOM 0 H LEU A 34 -6.995 6.925 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.611 4.607 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.751 5.239 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.373 3.622 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.564 4.988 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.522 3.770 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.207 4.953 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.327 3.221 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.723 2.666 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.613 2.076 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.014 3.046 -3.084 1.00 0.00 H new ATOM 643 N SER A 35 -7.847 5.736 1.258 1.00 0.00 N ATOM 644 CA SER A 35 -8.152 5.620 2.676 1.00 0.00 C ATOM 645 C SER A 35 -9.656 5.665 2.910 1.00 0.00 C ATOM 646 O SER A 35 -10.218 4.812 3.593 1.00 0.00 O ATOM 647 CB SER A 35 -7.469 6.746 3.457 1.00 0.00 C ATOM 648 OG SER A 35 -7.843 8.015 2.951 1.00 0.00 O ATOM 0 H SER A 35 -7.279 6.548 1.016 1.00 0.00 H new ATOM 0 HA SER A 35 -7.775 4.660 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.738 6.677 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.387 6.631 3.396 1.00 0.00 H new ATOM 0 HG SER A 35 -8.274 7.905 2.078 1.00 0.00 H new ATOM 654 N SER A 36 -10.296 6.678 2.342 1.00 0.00 N ATOM 655 CA SER A 36 -11.737 6.857 2.484 1.00 0.00 C ATOM 656 C SER A 36 -12.516 5.781 1.727 1.00 0.00 C ATOM 657 O SER A 36 -13.473 5.211 2.251 1.00 0.00 O ATOM 658 CB SER A 36 -12.149 8.242 1.982 1.00 0.00 C ATOM 659 OG SER A 36 -11.643 9.262 2.827 1.00 0.00 O ATOM 0 H SER A 36 -9.838 7.392 1.776 1.00 0.00 H new ATOM 0 HA SER A 36 -11.977 6.766 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.779 8.389 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.236 8.308 1.938 1.00 0.00 H new ATOM 0 HG SER A 36 -10.727 9.484 2.559 1.00 0.00 H new ATOM 665 N GLU A 37 -12.111 5.525 0.488 1.00 0.00 N ATOM 666 CA GLU A 37 -12.782 4.537 -0.353 1.00 0.00 C ATOM 667 C GLU A 37 -12.662 3.123 0.213 1.00 0.00 C ATOM 668 O GLU A 37 -13.646 2.384 0.262 1.00 0.00 O ATOM 669 CB GLU A 37 -12.209 4.576 -1.771 1.00 0.00 C ATOM 670 CG GLU A 37 -13.130 3.964 -2.815 1.00 0.00 C ATOM 671 CD GLU A 37 -13.491 4.937 -3.920 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.578 5.359 -4.662 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.686 5.279 -4.045 1.00 0.00 O ATOM 0 H GLU A 37 -11.320 5.988 0.042 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.840 4.796 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.003 5.611 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.256 4.047 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.648 3.089 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.042 3.617 -2.330 1.00 0.00 H new ATOM 680 N LEU A 38 -11.457 2.742 0.624 1.00 0.00 N ATOM 681 CA LEU A 38 -11.228 1.404 1.165 1.00 0.00 C ATOM 682 C LEU A 38 -11.547 1.338 2.656 1.00 0.00 C ATOM 683 O LEU A 38 -11.822 0.265 3.192 1.00 0.00 O ATOM 684 CB LEU A 38 -9.781 0.972 0.918 1.00 0.00 C ATOM 685 CG LEU A 38 -9.326 1.029 -0.544 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.863 0.630 -0.661 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.193 0.129 -1.412 1.00 0.00 C ATOM 0 H LEU A 38 -10.628 3.335 0.594 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.901 0.719 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.123 1.606 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.656 -0.048 1.282 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.435 2.054 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.556 0.676 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.251 1.314 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.732 -0.386 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.853 0.184 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.117 -0.900 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.231 0.457 -1.353 1.00 0.00 H new ATOM 699 N GLY A 39 -11.514 2.486 3.324 1.00 0.00 N ATOM 700 CA GLY A 39 -11.807 2.524 4.745 1.00 0.00 C ATOM 701 C GLY A 39 -10.590 2.239 5.605 1.00 0.00 C ATOM 702 O GLY A 39 -10.702 1.628 6.667 1.00 0.00 O ATOM 0 H GLY A 39 -11.290 3.390 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.206 3.505 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.584 1.794 4.971 1.00 0.00 H new ATOM 706 N LEU A 40 -9.425 2.686 5.147 1.00 0.00 N ATOM 707 CA LEU A 40 -8.183 2.480 5.883 1.00 0.00 C ATOM 708 C LEU A 40 -7.484 3.811 6.137 1.00 0.00 C ATOM 709 O LEU A 40 -7.812 4.819 5.515 1.00 0.00 O ATOM 710 CB LEU A 40 -7.256 1.540 5.109 1.00 0.00 C ATOM 711 CG LEU A 40 -7.894 0.220 4.669 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.437 -0.156 3.269 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.560 -0.888 5.657 1.00 0.00 C ATOM 0 H LEU A 40 -9.315 3.194 4.269 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.425 2.025 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.890 2.062 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.388 1.318 5.730 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.976 0.351 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.902 -1.097 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.728 0.627 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.353 -0.268 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.022 -1.819 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.479 -1.017 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.940 -0.623 6.643 1.00 0.00 H new ATOM 725 N ASN A 41 -6.522 3.812 7.055 1.00 0.00 N ATOM 726 CA ASN A 41 -5.789 5.031 7.383 1.00 0.00 C ATOM 727 C ASN A 41 -4.655 5.276 6.391 1.00 0.00 C ATOM 728 O ASN A 41 -4.047 4.336 5.876 1.00 0.00 O ATOM 729 CB ASN A 41 -5.236 4.966 8.810 1.00 0.00 C ATOM 730 CG ASN A 41 -4.574 3.638 9.121 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.225 2.594 9.131 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.271 3.672 9.378 1.00 0.00 N ATOM 0 H ASN A 41 -6.233 2.988 7.582 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.488 5.864 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.513 5.770 8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.047 5.138 9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.771 2.810 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.770 4.560 9.359 1.00 0.00 H new ATOM 739 N GLU A 42 -4.381 6.551 6.124 1.00 0.00 N ATOM 740 CA GLU A 42 -3.326 6.939 5.191 1.00 0.00 C ATOM 741 C GLU A 42 -2.013 6.232 5.513 1.00 0.00 C ATOM 742 O GLU A 42 -1.276 5.831 4.613 1.00 0.00 O ATOM 743 CB GLU A 42 -3.123 8.455 5.225 1.00 0.00 C ATOM 744 CG GLU A 42 -4.336 9.242 4.755 1.00 0.00 C ATOM 745 CD GLU A 42 -5.049 9.950 5.891 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.541 10.994 6.352 1.00 0.00 O ATOM 747 OE2 GLU A 42 -6.115 9.460 6.319 1.00 0.00 O ATOM 0 H GLU A 42 -4.878 7.337 6.543 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.637 6.639 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.876 8.757 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.268 8.713 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.022 9.977 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.033 8.566 4.259 1.00 0.00 H new ATOM 754 N ALA A 43 -1.726 6.085 6.802 1.00 0.00 N ATOM 755 CA ALA A 43 -0.500 5.430 7.240 1.00 0.00 C ATOM 756 C ALA A 43 -0.479 3.959 6.833 1.00 0.00 C ATOM 757 O ALA A 43 0.571 3.414 6.489 1.00 0.00 O ATOM 758 CB ALA A 43 -0.342 5.563 8.748 1.00 0.00 C ATOM 0 H ALA A 43 -2.325 6.410 7.561 1.00 0.00 H new ATOM 0 HA ALA A 43 0.338 5.925 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.578 5.070 9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.298 6.618 9.018 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.192 5.097 9.245 1.00 0.00 H new ATOM 764 N GLN A 44 -1.644 3.319 6.868 1.00 0.00 N ATOM 765 CA GLN A 44 -1.745 1.911 6.504 1.00 0.00 C ATOM 766 C GLN A 44 -1.521 1.725 5.010 1.00 0.00 C ATOM 767 O GLN A 44 -0.787 0.830 4.590 1.00 0.00 O ATOM 768 CB GLN A 44 -3.113 1.351 6.901 1.00 0.00 C ATOM 769 CG GLN A 44 -3.049 -0.052 7.481 1.00 0.00 C ATOM 770 CD GLN A 44 -2.667 -0.059 8.948 1.00 0.00 C ATOM 771 OE1 GLN A 44 -1.538 -0.396 9.306 1.00 0.00 O ATOM 772 NE2 GLN A 44 -3.608 0.313 9.807 1.00 0.00 N ATOM 0 H GLN A 44 -2.526 3.751 7.143 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.971 1.365 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.571 2.017 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.762 1.344 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.018 -0.536 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.325 -0.641 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.530 0.585 9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.409 0.327 10.807 1.00 0.00 H new ATOM 781 N ILE A 45 -2.146 2.580 4.210 1.00 0.00 N ATOM 782 CA ILE A 45 -1.996 2.504 2.764 1.00 0.00 C ATOM 783 C ILE A 45 -0.555 2.798 2.362 1.00 0.00 C ATOM 784 O ILE A 45 0.010 2.121 1.502 1.00 0.00 O ATOM 785 CB ILE A 45 -2.943 3.487 2.044 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.384 3.273 2.512 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.841 3.317 0.534 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.134 4.562 2.769 1.00 0.00 C ATOM 0 H ILE A 45 -2.757 3.329 4.536 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.259 1.490 2.462 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.644 4.505 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.920 2.694 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.376 2.678 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.516 4.018 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.818 3.513 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.117 2.298 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.148 4.334 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.622 5.133 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.173 5.149 1.851 1.00 0.00 H new ATOM 800 N LYS A 46 0.039 3.807 2.996 1.00 0.00 N ATOM 801 CA LYS A 46 1.420 4.181 2.708 1.00 0.00 C ATOM 802 C LYS A 46 2.364 3.009 2.960 1.00 0.00 C ATOM 803 O LYS A 46 3.231 2.713 2.139 1.00 0.00 O ATOM 804 CB LYS A 46 1.838 5.382 3.560 1.00 0.00 C ATOM 805 CG LYS A 46 2.472 6.505 2.755 1.00 0.00 C ATOM 806 CD LYS A 46 3.986 6.531 2.916 1.00 0.00 C ATOM 807 CE LYS A 46 4.697 6.453 1.573 1.00 0.00 C ATOM 808 NZ LYS A 46 5.524 5.220 1.453 1.00 0.00 N ATOM 0 H LYS A 46 -0.413 4.378 3.710 1.00 0.00 H new ATOM 0 HA LYS A 46 1.482 4.456 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.963 5.769 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.543 5.049 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.221 6.384 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.056 7.461 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.281 7.445 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.300 5.696 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.960 6.475 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.332 7.330 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.181 5.319 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.065 5.078 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.904 4.401 1.292 1.00 0.00 H new ATOM 822 N ILE A 47 2.186 2.341 4.098 1.00 0.00 N ATOM 823 CA ILE A 47 3.024 1.200 4.444 1.00 0.00 C ATOM 824 C ILE A 47 2.813 0.055 3.456 1.00 0.00 C ATOM 825 O ILE A 47 3.765 -0.613 3.056 1.00 0.00 O ATOM 826 CB ILE A 47 2.741 0.703 5.879 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.992 1.828 6.885 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.603 -0.508 6.215 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.274 1.632 8.202 1.00 0.00 C ATOM 0 H ILE A 47 1.473 2.570 4.791 1.00 0.00 H new ATOM 0 HA ILE A 47 4.060 1.534 4.393 1.00 0.00 H new ATOM 0 HB ILE A 47 1.695 0.402 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.063 1.905 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.677 2.774 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.385 -0.839 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.385 -1.315 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.656 -0.237 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.498 2.467 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.199 1.585 8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.607 0.702 8.663 1.00 0.00 H new ATOM 841 N TRP A 48 1.562 -0.162 3.063 1.00 0.00 N ATOM 842 CA TRP A 48 1.234 -1.224 2.118 1.00 0.00 C ATOM 843 C TRP A 48 1.949 -0.999 0.790 1.00 0.00 C ATOM 844 O TRP A 48 2.540 -1.920 0.228 1.00 0.00 O ATOM 845 CB TRP A 48 -0.277 -1.292 1.893 1.00 0.00 C ATOM 846 CG TRP A 48 -0.694 -2.433 1.016 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.020 -3.697 1.416 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.829 -2.416 -0.411 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.349 -4.467 0.327 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.240 -3.704 -0.806 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.643 -1.437 -1.393 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.467 -4.037 -2.140 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.869 -1.770 -2.715 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.277 -3.060 -3.078 1.00 0.00 C ATOM 0 H TRP A 48 0.761 0.382 3.383 1.00 0.00 H new ATOM 0 HA TRP A 48 1.570 -2.171 2.540 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.777 -1.382 2.857 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.613 -0.357 1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.019 -4.041 2.440 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.629 -5.447 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.329 -0.440 -1.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.782 -5.031 -2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.729 -1.023 -3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.445 -3.288 -4.120 1.00 0.00 H new ATOM 865 N PHE A 49 1.892 0.233 0.296 1.00 0.00 N ATOM 866 CA PHE A 49 2.537 0.582 -0.963 1.00 0.00 C ATOM 867 C PHE A 49 4.052 0.460 -0.842 1.00 0.00 C ATOM 868 O PHE A 49 4.717 -0.067 -1.733 1.00 0.00 O ATOM 869 CB PHE A 49 2.157 2.006 -1.378 1.00 0.00 C ATOM 870 CG PHE A 49 1.069 2.061 -2.411 1.00 0.00 C ATOM 871 CD1 PHE A 49 1.374 2.009 -3.761 1.00 0.00 C ATOM 872 CD2 PHE A 49 -0.260 2.167 -2.032 1.00 0.00 C ATOM 873 CE1 PHE A 49 0.375 2.059 -4.714 1.00 0.00 C ATOM 874 CE2 PHE A 49 -1.264 2.218 -2.981 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.946 2.165 -4.323 1.00 0.00 C ATOM 0 H PHE A 49 1.405 1.007 0.749 1.00 0.00 H new ATOM 0 HA PHE A 49 2.192 -0.113 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.837 2.559 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.042 2.510 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.405 1.928 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.514 2.210 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.626 2.015 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.296 2.299 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.728 2.206 -5.066 1.00 0.00 H new ATOM 885 N GLN A 50 4.590 0.949 0.272 1.00 0.00 N ATOM 886 CA GLN A 50 6.025 0.894 0.516 1.00 0.00 C ATOM 887 C GLN A 50 6.506 -0.551 0.610 1.00 0.00 C ATOM 888 O GLN A 50 7.561 -0.900 0.081 1.00 0.00 O ATOM 889 CB GLN A 50 6.373 1.644 1.804 1.00 0.00 C ATOM 890 CG GLN A 50 7.811 2.137 1.853 1.00 0.00 C ATOM 891 CD GLN A 50 8.632 1.438 2.918 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.727 0.943 2.649 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.106 1.393 4.137 1.00 0.00 N ATOM 0 H GLN A 50 4.052 1.388 1.019 1.00 0.00 H new ATOM 0 HA GLN A 50 6.530 1.372 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.702 2.496 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.193 0.988 2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.277 1.982 0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.817 3.211 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.195 1.816 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.613 0.935 4.895 1.00 0.00 H new ATOM 902 N ASN A 51 5.722 -1.387 1.284 1.00 0.00 N ATOM 903 CA ASN A 51 6.067 -2.795 1.446 1.00 0.00 C ATOM 904 C ASN A 51 5.970 -3.532 0.114 1.00 0.00 C ATOM 905 O ASN A 51 6.814 -4.366 -0.210 1.00 0.00 O ATOM 906 CB ASN A 51 5.149 -3.453 2.478 1.00 0.00 C ATOM 907 CG ASN A 51 5.923 -4.134 3.590 1.00 0.00 C ATOM 908 OD1 ASN A 51 7.098 -4.463 3.433 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.264 -4.351 4.723 1.00 0.00 N ATOM 0 H ASN A 51 4.844 -1.114 1.726 1.00 0.00 H new ATOM 0 HA ASN A 51 7.096 -2.854 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.490 -2.698 2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.513 -4.185 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.732 -4.807 5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.290 -4.062 4.810 1.00 0.00 H new ATOM 916 N LYS A 52 4.932 -3.215 -0.654 1.00 0.00 N ATOM 917 CA LYS A 52 4.723 -3.847 -1.952 1.00 0.00 C ATOM 918 C LYS A 52 5.823 -3.448 -2.932 1.00 0.00 C ATOM 919 O LYS A 52 6.206 -4.232 -3.802 1.00 0.00 O ATOM 920 CB LYS A 52 3.352 -3.462 -2.513 1.00 0.00 C ATOM 921 CG LYS A 52 2.562 -4.643 -3.050 1.00 0.00 C ATOM 922 CD LYS A 52 2.350 -5.704 -1.982 1.00 0.00 C ATOM 923 CE LYS A 52 0.965 -6.322 -2.075 1.00 0.00 C ATOM 924 NZ LYS A 52 1.002 -7.683 -2.678 1.00 0.00 N ATOM 0 H LYS A 52 4.224 -2.526 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 52 4.759 -4.928 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.772 -2.974 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.487 -2.733 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.596 -4.298 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.090 -5.079 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.105 -6.483 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.486 -5.260 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.525 -6.378 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.320 -5.678 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.037 -8.069 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.398 -7.627 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.597 -8.305 -2.094 1.00 0.00 H new ATOM 938 N ARG A 53 6.328 -2.228 -2.784 1.00 0.00 N ATOM 939 CA ARG A 53 7.387 -1.729 -3.654 1.00 0.00 C ATOM 940 C ARG A 53 8.679 -2.508 -3.435 1.00 0.00 C ATOM 941 O ARG A 53 9.425 -2.775 -4.377 1.00 0.00 O ATOM 942 CB ARG A 53 7.627 -0.239 -3.400 1.00 0.00 C ATOM 943 CG ARG A 53 8.237 0.490 -4.588 1.00 0.00 C ATOM 944 CD ARG A 53 9.335 1.452 -4.155 1.00 0.00 C ATOM 945 NE ARG A 53 8.944 2.848 -4.348 1.00 0.00 N ATOM 946 CZ ARG A 53 8.829 3.739 -3.363 1.00 0.00 C ATOM 947 NH1 ARG A 53 9.070 3.393 -2.103 1.00 0.00 N ATOM 948 NH2 ARG A 53 8.470 4.985 -3.640 1.00 0.00 N ATOM 0 H ARG A 53 6.021 -1.567 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 53 7.070 -1.866 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.680 0.234 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.285 -0.127 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.646 -0.237 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.458 1.040 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.572 1.283 -3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.242 1.247 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 53 8.746 3.160 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.346 2.437 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.979 4.084 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.283 5.259 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.381 5.669 -2.889 1.00 0.00 H new