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 Single : A 9 SER OG : rot 180:sc= -0.732 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.76! C(o=-2.8!,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.114 (180deg=-0.554) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 23 ASN : amide:sc= 1.12 K(o=1.1,f=-0.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 32 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.7!) USER MOD Single : A 33 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 35 SER OG : rot -62:sc= -0.667 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.12) USER MOD Single : A 44 GLN : amide:sc=-0.00205 K(o=-0.0021,f=-0.58) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.923 K(o=-0.92,f=-1.9!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.400 -6.823 3.553 1.00 0.00 N ATOM 176 CA SER A 9 -9.401 -7.711 2.972 1.00 0.00 C ATOM 177 C SER A 9 -9.123 -7.942 1.491 1.00 0.00 C ATOM 178 O SER A 9 -8.415 -7.164 0.855 1.00 0.00 O ATOM 179 CB SER A 9 -10.801 -7.125 3.156 1.00 0.00 C ATOM 180 OG SER A 9 -11.102 -6.189 2.134 1.00 0.00 O ATOM 0 HA SER A 9 -9.347 -8.669 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.538 -7.928 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.870 -6.640 4.130 1.00 0.00 H new ATOM 0 HG SER A 9 -12.003 -5.830 2.274 1.00 0.00 H new ATOM 186 N SER A 10 -9.685 -9.016 0.947 1.00 0.00 N ATOM 187 CA SER A 10 -9.497 -9.348 -0.462 1.00 0.00 C ATOM 188 C SER A 10 -9.859 -8.166 -1.359 1.00 0.00 C ATOM 189 O SER A 10 -9.123 -7.830 -2.286 1.00 0.00 O ATOM 190 CB SER A 10 -10.344 -10.565 -0.837 1.00 0.00 C ATOM 191 OG SER A 10 -10.048 -11.671 0.000 1.00 0.00 O ATOM 0 H SER A 10 -10.274 -9.672 1.460 1.00 0.00 H new ATOM 0 HA SER A 10 -8.444 -9.584 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.402 -10.315 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.160 -10.833 -1.877 1.00 0.00 H new ATOM 0 HG SER A 10 -10.604 -12.435 -0.259 1.00 0.00 H new ATOM 197 N GLU A 11 -11.000 -7.545 -1.077 1.00 0.00 N ATOM 198 CA GLU A 11 -11.465 -6.403 -1.859 1.00 0.00 C ATOM 199 C GLU A 11 -10.533 -5.205 -1.695 1.00 0.00 C ATOM 200 O GLU A 11 -10.239 -4.499 -2.662 1.00 0.00 O ATOM 201 CB GLU A 11 -12.885 -6.019 -1.437 1.00 0.00 C ATOM 202 CG GLU A 11 -13.560 -5.044 -2.388 1.00 0.00 C ATOM 203 CD GLU A 11 -14.101 -5.721 -3.632 1.00 0.00 C ATOM 204 OE1 GLU A 11 -13.339 -5.861 -4.612 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.288 -6.110 -3.627 1.00 0.00 O ATOM 0 H GLU A 11 -11.620 -7.813 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.466 -6.693 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.491 -6.922 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.852 -5.578 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.376 -4.542 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.846 -4.274 -2.680 1.00 0.00 H new ATOM 212 N GLN A 12 -10.070 -4.981 -0.469 1.00 0.00 N ATOM 213 CA GLN A 12 -9.175 -3.865 -0.191 1.00 0.00 C ATOM 214 C GLN A 12 -7.838 -4.062 -0.894 1.00 0.00 C ATOM 215 O GLN A 12 -7.314 -3.141 -1.519 1.00 0.00 O ATOM 216 CB GLN A 12 -8.958 -3.719 1.316 1.00 0.00 C ATOM 217 CG GLN A 12 -10.225 -3.380 2.084 1.00 0.00 C ATOM 218 CD GLN A 12 -10.075 -3.593 3.579 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.157 -4.276 4.031 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.981 -3.007 4.353 1.00 0.00 N ATOM 0 H GLN A 12 -10.299 -5.554 0.343 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.637 -2.954 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.544 -4.649 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.216 -2.940 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.494 -2.341 1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.046 -3.994 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.725 -2.449 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.932 -3.114 5.366 1.00 0.00 H new ATOM 229 N LEU A 13 -7.297 -5.271 -0.797 1.00 0.00 N ATOM 230 CA LEU A 13 -6.025 -5.585 -1.435 1.00 0.00 C ATOM 231 C LEU A 13 -6.167 -5.539 -2.949 1.00 0.00 C ATOM 232 O LEU A 13 -5.258 -5.110 -3.653 1.00 0.00 O ATOM 233 CB LEU A 13 -5.531 -6.970 -1.003 1.00 0.00 C ATOM 234 CG LEU A 13 -4.592 -7.002 0.212 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.726 -8.249 0.172 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.713 -5.759 0.267 1.00 0.00 C ATOM 0 H LEU A 13 -7.717 -6.047 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.295 -4.839 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.399 -7.591 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.017 -7.430 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.208 -7.020 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.065 -8.261 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.362 -9.134 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.129 -8.248 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.060 -5.813 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.107 -5.702 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.342 -4.872 0.339 1.00 0.00 H new ATOM 248 N ALA A 14 -7.318 -5.983 -3.442 1.00 0.00 N ATOM 249 CA ALA A 14 -7.580 -5.986 -4.875 1.00 0.00 C ATOM 250 C ALA A 14 -7.512 -4.569 -5.432 1.00 0.00 C ATOM 251 O ALA A 14 -6.907 -4.328 -6.477 1.00 0.00 O ATOM 252 CB ALA A 14 -8.936 -6.608 -5.166 1.00 0.00 C ATOM 0 H ALA A 14 -8.082 -6.344 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.813 -6.586 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.116 -6.602 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.951 -7.635 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.715 -6.033 -4.665 1.00 0.00 H new ATOM 258 N ARG A 15 -8.131 -3.632 -4.720 1.00 0.00 N ATOM 259 CA ARG A 15 -8.133 -2.235 -5.139 1.00 0.00 C ATOM 260 C ARG A 15 -6.721 -1.661 -5.095 1.00 0.00 C ATOM 261 O ARG A 15 -6.242 -1.080 -6.071 1.00 0.00 O ATOM 262 CB ARG A 15 -9.063 -1.414 -4.243 1.00 0.00 C ATOM 263 CG ARG A 15 -10.100 -0.613 -5.014 1.00 0.00 C ATOM 264 CD ARG A 15 -11.496 -1.187 -4.836 1.00 0.00 C ATOM 265 NE ARG A 15 -12.278 -1.121 -6.068 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.699 0.015 -6.618 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.418 1.181 -6.050 1.00 0.00 N ATOM 268 NH2 ARG A 15 -13.404 -0.015 -7.742 1.00 0.00 N ATOM 0 H ARG A 15 -8.636 -3.814 -3.853 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.497 -2.184 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.574 -2.085 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.464 -0.732 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.086 0.423 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.841 -0.606 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.422 -2.224 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.015 -0.641 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.515 -1.997 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.876 1.210 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.744 2.048 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.623 -0.908 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.727 0.855 -8.165 1.00 0.00 H new ATOM 282 N LEU A 16 -6.056 -1.834 -3.957 1.00 0.00 N ATOM 283 CA LEU A 16 -4.696 -1.339 -3.782 1.00 0.00 C ATOM 284 C LEU A 16 -3.758 -1.969 -4.806 1.00 0.00 C ATOM 285 O LEU A 16 -2.860 -1.310 -5.329 1.00 0.00 O ATOM 286 CB LEU A 16 -4.199 -1.640 -2.366 1.00 0.00 C ATOM 287 CG LEU A 16 -4.931 -0.896 -1.247 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.999 -1.754 0.007 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.243 0.428 -0.951 1.00 0.00 C ATOM 0 H LEU A 16 -6.438 -2.314 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.704 -0.260 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.288 -2.711 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.138 -1.395 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.949 -0.689 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.523 -1.209 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.534 -2.678 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.989 -1.991 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.776 0.945 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.215 0.242 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.244 1.047 -1.848 1.00 0.00 H new ATOM 301 N LYS A 17 -3.979 -3.249 -5.088 1.00 0.00 N ATOM 302 CA LYS A 17 -3.159 -3.973 -6.050 1.00 0.00 C ATOM 303 C LYS A 17 -3.297 -3.365 -7.440 1.00 0.00 C ATOM 304 O LYS A 17 -2.308 -3.183 -8.150 1.00 0.00 O ATOM 305 CB LYS A 17 -3.554 -5.451 -6.082 1.00 0.00 C ATOM 306 CG LYS A 17 -2.663 -6.336 -5.225 1.00 0.00 C ATOM 307 CD LYS A 17 -3.285 -7.704 -4.999 1.00 0.00 C ATOM 308 CE LYS A 17 -3.300 -8.528 -6.277 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.933 -8.702 -6.840 1.00 0.00 N ATOM 0 H LYS A 17 -4.720 -3.806 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.118 -3.893 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.585 -5.551 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.521 -5.805 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.692 -6.452 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.486 -5.853 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.727 -8.236 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.304 -7.585 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.736 -9.506 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.938 -8.042 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.921 -9.528 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.667 -7.851 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.255 -8.849 -6.065 1.00 0.00 H new ATOM 323 N ARG A 18 -4.531 -3.047 -7.822 1.00 0.00 N ATOM 324 CA ARG A 18 -4.794 -2.452 -9.125 1.00 0.00 C ATOM 325 C ARG A 18 -4.073 -1.116 -9.256 1.00 0.00 C ATOM 326 O ARG A 18 -3.434 -0.840 -10.271 1.00 0.00 O ATOM 327 CB ARG A 18 -6.298 -2.257 -9.331 1.00 0.00 C ATOM 328 CG ARG A 18 -6.674 -1.904 -10.762 1.00 0.00 C ATOM 329 CD ARG A 18 -7.523 -0.643 -10.824 1.00 0.00 C ATOM 330 NE ARG A 18 -8.531 -0.713 -11.880 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.277 -0.474 -13.165 1.00 0.00 C ATOM 332 NH1 ARG A 18 -7.051 -0.153 -13.559 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.253 -0.558 -14.058 1.00 0.00 N ATOM 0 H ARG A 18 -5.362 -3.192 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.420 -3.130 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.818 -3.171 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.648 -1.467 -8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.769 -1.763 -11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.221 -2.734 -11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.014 -0.489 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.879 0.220 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.485 -0.959 -11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.296 -0.088 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.863 0.029 -14.545 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.197 -0.805 -13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.060 -0.375 -15.043 1.00 0.00 H new ATOM 347 N GLU A 19 -4.174 -0.294 -8.217 1.00 0.00 N ATOM 348 CA GLU A 19 -3.523 1.011 -8.212 1.00 0.00 C ATOM 349 C GLU A 19 -2.005 0.852 -8.232 1.00 0.00 C ATOM 350 O GLU A 19 -1.301 1.591 -8.920 1.00 0.00 O ATOM 351 CB GLU A 19 -3.949 1.815 -6.981 1.00 0.00 C ATOM 352 CG GLU A 19 -5.054 2.821 -7.265 1.00 0.00 C ATOM 353 CD GLU A 19 -4.621 4.254 -7.017 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.665 4.460 -6.240 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.240 5.170 -7.597 1.00 0.00 O ATOM 0 H GLU A 19 -4.699 -0.508 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.830 1.550 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.286 1.126 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.082 2.342 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.376 2.718 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.917 2.593 -6.639 1.00 0.00 H new ATOM 362 N PHE A 20 -1.512 -0.121 -7.473 1.00 0.00 N ATOM 363 CA PHE A 20 -0.080 -0.387 -7.400 1.00 0.00 C ATOM 364 C PHE A 20 0.451 -0.865 -8.747 1.00 0.00 C ATOM 365 O PHE A 20 1.581 -0.554 -9.127 1.00 0.00 O ATOM 366 CB PHE A 20 0.206 -1.435 -6.323 1.00 0.00 C ATOM 367 CG PHE A 20 1.669 -1.696 -6.107 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.421 -0.870 -5.287 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.293 -2.771 -6.722 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.766 -1.110 -5.084 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.638 -3.015 -6.523 1.00 0.00 C ATOM 372 CZ PHE A 20 4.376 -2.184 -5.704 1.00 0.00 C ATOM 0 H PHE A 20 -2.084 -0.740 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 20 0.428 0.541 -7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.238 -1.107 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.284 -2.369 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.950 -0.029 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.721 -3.425 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.340 -0.459 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.112 -3.856 -7.008 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.428 -2.373 -5.548 1.00 0.00 H new ATOM 382 N ASN A 21 -0.372 -1.621 -9.464 1.00 0.00 N ATOM 383 CA ASN A 21 0.011 -2.144 -10.771 1.00 0.00 C ATOM 384 C ASN A 21 0.225 -1.011 -11.770 1.00 0.00 C ATOM 385 O ASN A 21 1.030 -1.128 -12.693 1.00 0.00 O ATOM 386 CB ASN A 21 -1.062 -3.105 -11.290 1.00 0.00 C ATOM 387 CG ASN A 21 -0.646 -4.557 -11.163 1.00 0.00 C ATOM 388 OD1 ASN A 21 -0.551 -5.095 -10.059 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.395 -5.202 -12.297 1.00 0.00 N ATOM 0 H ASN A 21 -1.310 -1.886 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 21 0.951 -2.685 -10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.988 -2.945 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.273 -2.880 -12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.111 -6.181 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.486 -4.718 -13.190 1.00 0.00 H new ATOM 396 N GLU A 22 -0.501 0.087 -11.579 1.00 0.00 N ATOM 397 CA GLU A 22 -0.391 1.241 -12.464 1.00 0.00 C ATOM 398 C GLU A 22 0.790 2.121 -12.066 1.00 0.00 C ATOM 399 O GLU A 22 1.495 2.655 -12.922 1.00 0.00 O ATOM 400 CB GLU A 22 -1.684 2.057 -12.436 1.00 0.00 C ATOM 401 CG GLU A 22 -2.931 1.229 -12.702 1.00 0.00 C ATOM 402 CD GLU A 22 -4.207 1.963 -12.338 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.381 2.296 -11.147 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.031 2.204 -13.244 1.00 0.00 O ATOM 0 H GLU A 22 -1.172 0.201 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.223 0.876 -13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.779 2.539 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.619 2.851 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.962 0.955 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.875 0.301 -12.133 1.00 0.00 H new ATOM 411 N ASN A 23 1.001 2.265 -10.761 1.00 0.00 N ATOM 412 CA ASN A 23 2.098 3.079 -10.250 1.00 0.00 C ATOM 413 C ASN A 23 2.432 2.699 -8.811 1.00 0.00 C ATOM 414 O ASN A 23 1.581 2.777 -7.925 1.00 0.00 O ATOM 415 CB ASN A 23 1.743 4.565 -10.330 1.00 0.00 C ATOM 416 CG ASN A 23 0.359 4.859 -9.785 1.00 0.00 C ATOM 417 OD1 ASN A 23 -0.647 4.620 -10.453 1.00 0.00 O ATOM 418 ND2 ASN A 23 0.301 5.382 -8.566 1.00 0.00 N ATOM 0 H ASN A 23 0.427 1.829 -10.039 1.00 0.00 H new ATOM 0 HA ASN A 23 2.975 2.891 -10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.480 5.142 -9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.799 4.894 -11.368 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.603 5.602 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.160 5.564 -8.048 1.00 0.00 H new ATOM 425 N ARG A 24 3.674 2.283 -8.588 1.00 0.00 N ATOM 426 CA ARG A 24 4.128 1.886 -7.259 1.00 0.00 C ATOM 427 C ARG A 24 4.314 3.092 -6.334 1.00 0.00 C ATOM 428 O ARG A 24 4.650 2.933 -5.161 1.00 0.00 O ATOM 429 CB ARG A 24 5.438 1.103 -7.362 1.00 0.00 C ATOM 430 CG ARG A 24 5.395 -0.018 -8.388 1.00 0.00 C ATOM 431 CD ARG A 24 6.472 -1.058 -8.122 1.00 0.00 C ATOM 432 NE ARG A 24 6.994 -1.633 -9.359 1.00 0.00 N ATOM 433 CZ ARG A 24 7.824 -0.995 -10.182 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.226 0.238 -9.903 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.252 -1.592 -11.286 1.00 0.00 N ATOM 0 H ARG A 24 4.387 2.212 -9.314 1.00 0.00 H new ATOM 0 HA ARG A 24 3.355 1.251 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.244 1.790 -7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.678 0.682 -6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.415 -0.494 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.527 0.397 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.288 -0.600 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.063 -1.852 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 24 6.706 -2.579 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.899 0.701 -9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.862 0.723 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.945 -2.540 -11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.888 -1.103 -11.916 1.00 0.00 H new ATOM 449 N TYR A 25 4.096 4.295 -6.862 1.00 0.00 N ATOM 450 CA TYR A 25 4.242 5.512 -6.073 1.00 0.00 C ATOM 451 C TYR A 25 2.880 6.140 -5.802 1.00 0.00 C ATOM 452 O TYR A 25 2.076 6.319 -6.717 1.00 0.00 O ATOM 453 CB TYR A 25 5.143 6.514 -6.797 1.00 0.00 C ATOM 454 CG TYR A 25 6.400 5.899 -7.372 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.225 5.098 -6.591 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.762 6.119 -8.696 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.374 4.534 -7.114 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.909 5.560 -9.224 1.00 0.00 C ATOM 459 CZ TYR A 25 8.711 4.769 -8.430 1.00 0.00 C ATOM 460 OH TYR A 25 9.854 4.209 -8.953 1.00 0.00 O ATOM 0 H TYR A 25 3.818 4.451 -7.831 1.00 0.00 H new ATOM 0 HA TYR A 25 4.703 5.248 -5.121 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.577 6.982 -7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.422 7.306 -6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.964 4.913 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.136 6.737 -9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.004 3.913 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.176 5.742 -10.254 1.00 0.00 H new ATOM 0 HH TYR A 25 9.946 4.471 -9.893 1.00 0.00 H new ATOM 470 N LEU A 26 2.624 6.466 -4.541 1.00 0.00 N ATOM 471 CA LEU A 26 1.353 7.066 -4.156 1.00 0.00 C ATOM 472 C LEU A 26 1.471 8.578 -4.011 1.00 0.00 C ATOM 473 O LEU A 26 2.532 9.161 -4.232 1.00 0.00 O ATOM 474 CB LEU A 26 0.862 6.476 -2.830 1.00 0.00 C ATOM 475 CG LEU A 26 -0.002 5.219 -2.934 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.547 4.847 -1.564 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.149 5.416 -3.915 1.00 0.00 C ATOM 0 H LEU A 26 3.277 6.326 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 26 0.638 6.844 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.731 6.245 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.292 7.242 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 26 0.625 4.409 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.161 3.950 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.282 4.657 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.153 5.667 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.744 4.504 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.777 6.241 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.748 5.643 -4.903 1.00 0.00 H new ATOM 489 N THR A 27 0.365 9.194 -3.618 1.00 0.00 N ATOM 490 CA THR A 27 0.303 10.632 -3.408 1.00 0.00 C ATOM 491 C THR A 27 -0.690 10.936 -2.297 1.00 0.00 C ATOM 492 O THR A 27 -1.460 10.065 -1.897 1.00 0.00 O ATOM 493 CB THR A 27 -0.119 11.349 -4.693 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.525 11.252 -4.882 1.00 0.00 O ATOM 495 CG2 THR A 27 0.565 10.807 -5.933 1.00 0.00 C ATOM 0 H THR A 27 -0.514 8.710 -3.436 1.00 0.00 H new ATOM 0 HA THR A 27 1.293 10.990 -3.125 1.00 0.00 H new ATOM 0 HB THR A 27 0.185 12.388 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.777 11.717 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.222 11.358 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.644 10.921 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.321 9.751 -6.051 1.00 0.00 H new ATOM 503 N GLU A 28 -0.681 12.165 -1.798 1.00 0.00 N ATOM 504 CA GLU A 28 -1.604 12.544 -0.736 1.00 0.00 C ATOM 505 C GLU A 28 -3.041 12.270 -1.165 1.00 0.00 C ATOM 506 O GLU A 28 -3.801 11.615 -0.451 1.00 0.00 O ATOM 507 CB GLU A 28 -1.432 14.021 -0.377 1.00 0.00 C ATOM 508 CG GLU A 28 -0.074 14.347 0.222 1.00 0.00 C ATOM 509 CD GLU A 28 -0.004 15.759 0.769 1.00 0.00 C ATOM 510 OE1 GLU A 28 -0.769 16.072 1.704 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.818 16.552 0.262 1.00 0.00 O ATOM 0 H GLU A 28 -0.054 12.908 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.380 11.945 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.579 14.624 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.210 14.307 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.146 13.640 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.696 14.217 -0.539 1.00 0.00 H new ATOM 518 N ARG A 29 -3.400 12.764 -2.344 1.00 0.00 N ATOM 519 CA ARG A 29 -4.737 12.563 -2.884 1.00 0.00 C ATOM 520 C ARG A 29 -5.039 11.077 -3.056 1.00 0.00 C ATOM 521 O ARG A 29 -6.166 10.635 -2.837 1.00 0.00 O ATOM 522 CB ARG A 29 -4.885 13.284 -4.225 1.00 0.00 C ATOM 523 CG ARG A 29 -6.331 13.509 -4.636 1.00 0.00 C ATOM 524 CD ARG A 29 -6.561 14.936 -5.107 1.00 0.00 C ATOM 525 NE ARG A 29 -7.574 15.009 -6.158 1.00 0.00 N ATOM 526 CZ ARG A 29 -7.619 15.968 -7.081 1.00 0.00 C ATOM 527 NH1 ARG A 29 -6.720 16.944 -7.083 1.00 0.00 N ATOM 528 NH2 ARG A 29 -8.571 15.952 -8.004 1.00 0.00 N ATOM 0 H ARG A 29 -2.781 13.308 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.452 12.981 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.378 14.247 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.382 12.703 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.596 12.815 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.988 13.293 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.870 15.551 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.624 15.351 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.289 14.282 -6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.987 16.964 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.762 17.674 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.267 15.206 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.607 16.685 -8.712 1.00 0.00 H new ATOM 542 N ARG A 30 -4.026 10.311 -3.458 1.00 0.00 N ATOM 543 CA ARG A 30 -4.191 8.877 -3.665 1.00 0.00 C ATOM 544 C ARG A 30 -4.448 8.156 -2.348 1.00 0.00 C ATOM 545 O ARG A 30 -5.388 7.370 -2.234 1.00 0.00 O ATOM 546 CB ARG A 30 -2.951 8.291 -4.347 1.00 0.00 C ATOM 547 CG ARG A 30 -3.274 7.441 -5.564 1.00 0.00 C ATOM 548 CD ARG A 30 -3.127 8.233 -6.854 1.00 0.00 C ATOM 549 NE ARG A 30 -4.423 8.582 -7.431 1.00 0.00 N ATOM 550 CZ ARG A 30 -4.604 8.892 -8.713 1.00 0.00 C ATOM 551 NH1 ARG A 30 -3.576 8.903 -9.552 1.00 0.00 N ATOM 552 NH2 ARG A 30 -5.817 9.193 -9.157 1.00 0.00 N ATOM 0 H ARG A 30 -3.086 10.660 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.057 8.731 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.292 9.106 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.402 7.686 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.612 6.575 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.292 7.061 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.560 9.143 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.554 7.649 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.237 8.589 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.641 8.673 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.721 9.141 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.611 9.187 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.956 9.431 -10.139 1.00 0.00 H new ATOM 566 N ARG A 31 -3.609 8.427 -1.354 1.00 0.00 N ATOM 567 CA ARG A 31 -3.752 7.799 -0.048 1.00 0.00 C ATOM 568 C ARG A 31 -5.119 8.110 0.550 1.00 0.00 C ATOM 569 O ARG A 31 -5.849 7.209 0.963 1.00 0.00 O ATOM 570 CB ARG A 31 -2.644 8.276 0.896 1.00 0.00 C ATOM 571 CG ARG A 31 -1.753 7.153 1.402 1.00 0.00 C ATOM 572 CD ARG A 31 -0.303 7.364 0.997 1.00 0.00 C ATOM 573 NE ARG A 31 0.235 8.616 1.525 1.00 0.00 N ATOM 574 CZ ARG A 31 1.174 9.341 0.917 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.696 8.937 -0.235 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.596 10.471 1.467 1.00 0.00 N ATOM 0 H ARG A 31 -2.825 9.076 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.666 6.720 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.029 9.012 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.097 8.782 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.823 7.093 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.107 6.201 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.299 6.530 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.227 7.366 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.131 8.956 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.379 8.066 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.414 9.497 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.202 10.785 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.314 11.027 1.003 1.00 0.00 H new ATOM 590 N GLN A 32 -5.459 9.394 0.589 1.00 0.00 N ATOM 591 CA GLN A 32 -6.739 9.832 1.135 1.00 0.00 C ATOM 592 C GLN A 32 -7.904 9.235 0.353 1.00 0.00 C ATOM 593 O GLN A 32 -8.944 8.910 0.924 1.00 0.00 O ATOM 594 CB GLN A 32 -6.826 11.359 1.117 1.00 0.00 C ATOM 595 CG GLN A 32 -7.979 11.912 1.941 1.00 0.00 C ATOM 596 CD GLN A 32 -9.326 11.694 1.279 1.00 0.00 C ATOM 597 OE1 GLN A 32 -10.247 11.145 1.885 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.450 12.125 0.029 1.00 0.00 N ATOM 0 H GLN A 32 -4.865 10.150 0.249 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.804 9.481 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.890 11.773 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.932 11.697 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.980 11.438 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.826 12.979 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.661 12.575 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.334 12.006 -0.466 1.00 0.00 H new ATOM 607 N GLN A 33 -7.727 9.095 -0.956 1.00 0.00 N ATOM 608 CA GLN A 33 -8.769 8.536 -1.808 1.00 0.00 C ATOM 609 C GLN A 33 -8.987 7.060 -1.498 1.00 0.00 C ATOM 610 O GLN A 33 -10.110 6.629 -1.240 1.00 0.00 O ATOM 611 CB GLN A 33 -8.404 8.710 -3.285 1.00 0.00 C ATOM 612 CG GLN A 33 -9.061 9.916 -3.935 1.00 0.00 C ATOM 613 CD GLN A 33 -10.216 9.533 -4.839 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.298 9.978 -5.984 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.119 8.704 -4.328 1.00 0.00 N ATOM 0 H GLN A 33 -6.874 9.360 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.695 9.075 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.322 8.804 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.692 7.811 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.420 10.592 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.317 10.463 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.012 8.359 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.919 8.412 -4.889 1.00 0.00 H new ATOM 624 N LEU A 34 -7.904 6.292 -1.523 1.00 0.00 N ATOM 625 CA LEU A 34 -7.976 4.862 -1.245 1.00 0.00 C ATOM 626 C LEU A 34 -8.386 4.607 0.202 1.00 0.00 C ATOM 627 O LEU A 34 -9.129 3.668 0.490 1.00 0.00 O ATOM 628 CB LEU A 34 -6.626 4.199 -1.530 1.00 0.00 C ATOM 629 CG LEU A 34 -6.440 3.703 -2.968 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.268 4.409 -3.634 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.235 2.196 -2.992 1.00 0.00 C ATOM 0 H LEU A 34 -6.966 6.635 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.733 4.428 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.833 4.911 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.502 3.355 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.345 3.938 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.154 4.042 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.454 5.483 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.356 4.209 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.105 1.863 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.348 1.940 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.105 1.703 -2.559 1.00 0.00 H new ATOM 643 N SER A 35 -7.903 5.450 1.110 1.00 0.00 N ATOM 644 CA SER A 35 -8.225 5.315 2.525 1.00 0.00 C ATOM 645 C SER A 35 -9.725 5.451 2.752 1.00 0.00 C ATOM 646 O SER A 35 -10.344 4.615 3.407 1.00 0.00 O ATOM 647 CB SER A 35 -7.473 6.367 3.345 1.00 0.00 C ATOM 648 OG SER A 35 -8.165 7.604 3.351 1.00 0.00 O ATOM 0 H SER A 35 -7.288 6.233 0.890 1.00 0.00 H new ATOM 0 HA SER A 35 -7.914 4.323 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.348 6.013 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.474 6.508 2.932 1.00 0.00 H new ATOM 0 HG SER A 35 -8.227 7.948 2.436 1.00 0.00 H new ATOM 654 N SER A 36 -10.295 6.521 2.212 1.00 0.00 N ATOM 655 CA SER A 36 -11.723 6.788 2.353 1.00 0.00 C ATOM 656 C SER A 36 -12.566 5.792 1.556 1.00 0.00 C ATOM 657 O SER A 36 -13.629 5.364 2.007 1.00 0.00 O ATOM 658 CB SER A 36 -12.042 8.213 1.902 1.00 0.00 C ATOM 659 OG SER A 36 -13.181 8.720 2.577 1.00 0.00 O ATOM 0 H SER A 36 -9.789 7.221 1.670 1.00 0.00 H new ATOM 0 HA SER A 36 -11.975 6.675 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.185 8.859 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.217 8.226 0.826 1.00 0.00 H new ATOM 0 HG SER A 36 -13.363 9.633 2.272 1.00 0.00 H new ATOM 665 N GLU A 37 -12.095 5.442 0.363 1.00 0.00 N ATOM 666 CA GLU A 37 -12.816 4.514 -0.506 1.00 0.00 C ATOM 667 C GLU A 37 -12.955 3.132 0.130 1.00 0.00 C ATOM 668 O GLU A 37 -14.064 2.625 0.293 1.00 0.00 O ATOM 669 CB GLU A 37 -12.107 4.393 -1.856 1.00 0.00 C ATOM 670 CG GLU A 37 -13.027 3.978 -2.993 1.00 0.00 C ATOM 671 CD GLU A 37 -13.848 5.133 -3.530 1.00 0.00 C ATOM 672 OE1 GLU A 37 -13.434 6.296 -3.340 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.907 4.875 -4.140 1.00 0.00 O ATOM 0 H GLU A 37 -11.217 5.786 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.818 4.918 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.648 5.350 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.300 3.665 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.431 3.554 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.697 3.192 -2.645 1.00 0.00 H new ATOM 680 N LEU A 38 -11.826 2.523 0.476 1.00 0.00 N ATOM 681 CA LEU A 38 -11.833 1.193 1.078 1.00 0.00 C ATOM 682 C LEU A 38 -12.031 1.263 2.592 1.00 0.00 C ATOM 683 O LEU A 38 -12.295 0.247 3.237 1.00 0.00 O ATOM 684 CB LEU A 38 -10.528 0.463 0.758 1.00 0.00 C ATOM 685 CG LEU A 38 -10.171 0.400 -0.728 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.752 -0.117 -0.917 1.00 0.00 C ATOM 687 CD2 LEU A 38 -11.166 -0.475 -1.477 1.00 0.00 C ATOM 0 H LEU A 38 -10.898 2.926 0.351 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.672 0.641 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.714 0.954 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.594 -0.554 1.144 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.223 1.409 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.517 -0.154 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.052 0.550 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.670 -1.117 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.898 -0.509 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.146 -1.484 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.168 -0.059 -1.371 1.00 0.00 H new ATOM 699 N GLY A 39 -11.905 2.460 3.156 1.00 0.00 N ATOM 700 CA GLY A 39 -12.077 2.625 4.587 1.00 0.00 C ATOM 701 C GLY A 39 -10.848 2.210 5.371 1.00 0.00 C ATOM 702 O GLY A 39 -10.955 1.752 6.508 1.00 0.00 O ATOM 0 H GLY A 39 -11.687 3.317 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.307 3.668 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.931 2.034 4.917 1.00 0.00 H new ATOM 706 N LEU A 40 -9.678 2.372 4.764 1.00 0.00 N ATOM 707 CA LEU A 40 -8.422 2.011 5.412 1.00 0.00 C ATOM 708 C LEU A 40 -7.687 3.254 5.901 1.00 0.00 C ATOM 709 O LEU A 40 -8.059 4.377 5.566 1.00 0.00 O ATOM 710 CB LEU A 40 -7.532 1.229 4.445 1.00 0.00 C ATOM 711 CG LEU A 40 -8.154 -0.049 3.882 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.592 -0.353 2.501 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.914 -1.217 4.826 1.00 0.00 C ATOM 0 H LEU A 40 -9.573 2.751 3.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.653 1.383 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.264 1.881 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.606 0.969 4.957 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.229 0.103 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.046 -1.266 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.814 0.475 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.512 -0.486 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.363 -2.119 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.842 -1.370 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.365 -1.001 5.795 1.00 0.00 H new ATOM 725 N ASN A 41 -6.640 3.046 6.693 1.00 0.00 N ATOM 726 CA ASN A 41 -5.852 4.153 7.222 1.00 0.00 C ATOM 727 C ASN A 41 -4.819 4.617 6.199 1.00 0.00 C ATOM 728 O ASN A 41 -4.093 3.804 5.626 1.00 0.00 O ATOM 729 CB ASN A 41 -5.153 3.739 8.520 1.00 0.00 C ATOM 730 CG ASN A 41 -5.353 4.751 9.632 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.399 5.158 10.295 1.00 0.00 O ATOM 732 ND2 ASN A 41 -6.598 5.162 9.841 1.00 0.00 N ATOM 0 H ASN A 41 -6.318 2.122 6.982 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.529 4.981 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.534 2.770 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.086 3.616 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.794 5.842 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.358 4.798 9.267 1.00 0.00 H new ATOM 739 N GLU A 42 -4.756 5.926 5.975 1.00 0.00 N ATOM 740 CA GLU A 42 -3.809 6.494 5.018 1.00 0.00 C ATOM 741 C GLU A 42 -2.397 5.977 5.274 1.00 0.00 C ATOM 742 O GLU A 42 -1.659 5.665 4.339 1.00 0.00 O ATOM 743 CB GLU A 42 -3.829 8.021 5.093 1.00 0.00 C ATOM 744 CG GLU A 42 -4.889 8.661 4.213 1.00 0.00 C ATOM 745 CD GLU A 42 -6.181 8.929 4.957 1.00 0.00 C ATOM 746 OE1 GLU A 42 -6.673 8.008 5.644 1.00 0.00 O ATOM 747 OE2 GLU A 42 -6.704 10.059 4.854 1.00 0.00 O ATOM 0 H GLU A 42 -5.348 6.613 6.442 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.112 6.183 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.997 8.323 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.850 8.403 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.505 9.598 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.092 8.009 3.363 1.00 0.00 H new ATOM 754 N ALA A 43 -2.027 5.888 6.547 1.00 0.00 N ATOM 755 CA ALA A 43 -0.705 5.405 6.926 1.00 0.00 C ATOM 756 C ALA A 43 -0.519 3.946 6.526 1.00 0.00 C ATOM 757 O ALA A 43 0.577 3.531 6.144 1.00 0.00 O ATOM 758 CB ALA A 43 -0.492 5.575 8.422 1.00 0.00 C ATOM 0 H ALA A 43 -2.624 6.144 7.333 1.00 0.00 H new ATOM 0 HA ALA A 43 0.039 5.998 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.499 5.210 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.574 6.630 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.248 5.007 8.964 1.00 0.00 H new ATOM 764 N GLN A 44 -1.595 3.171 6.612 1.00 0.00 N ATOM 765 CA GLN A 44 -1.544 1.756 6.258 1.00 0.00 C ATOM 766 C GLN A 44 -1.366 1.586 4.756 1.00 0.00 C ATOM 767 O GLN A 44 -0.684 0.667 4.303 1.00 0.00 O ATOM 768 CB GLN A 44 -2.818 1.045 6.719 1.00 0.00 C ATOM 769 CG GLN A 44 -3.037 1.102 8.221 1.00 0.00 C ATOM 770 CD GLN A 44 -2.073 0.217 8.987 1.00 0.00 C ATOM 771 OE1 GLN A 44 -1.767 -0.899 8.564 1.00 0.00 O ATOM 772 NE2 GLN A 44 -1.589 0.711 10.120 1.00 0.00 N ATOM 0 H GLN A 44 -2.510 3.497 6.923 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.688 1.308 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.676 1.493 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.775 0.002 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.927 2.132 8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.059 0.799 8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.870 1.640 10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.936 0.161 10.678 1.00 0.00 H new ATOM 781 N ILE A 45 -1.972 2.484 3.989 1.00 0.00 N ATOM 782 CA ILE A 45 -1.866 2.435 2.538 1.00 0.00 C ATOM 783 C ILE A 45 -0.443 2.760 2.099 1.00 0.00 C ATOM 784 O ILE A 45 0.139 2.057 1.273 1.00 0.00 O ATOM 785 CB ILE A 45 -2.840 3.421 1.864 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.262 3.207 2.390 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.801 3.258 0.351 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.071 4.482 2.482 1.00 0.00 C ATOM 0 H ILE A 45 -2.540 3.252 4.347 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.127 1.423 2.228 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.529 4.437 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.780 2.504 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.210 2.747 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.495 3.962 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.792 3.455 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.089 2.240 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.067 4.254 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.576 5.179 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.154 4.932 1.493 1.00 0.00 H new ATOM 800 N LYS A 46 0.115 3.827 2.667 1.00 0.00 N ATOM 801 CA LYS A 46 1.473 4.243 2.342 1.00 0.00 C ATOM 802 C LYS A 46 2.469 3.130 2.649 1.00 0.00 C ATOM 803 O LYS A 46 3.342 2.825 1.836 1.00 0.00 O ATOM 804 CB LYS A 46 1.843 5.505 3.124 1.00 0.00 C ATOM 805 CG LYS A 46 2.720 6.470 2.341 1.00 0.00 C ATOM 806 CD LYS A 46 3.903 6.950 3.168 1.00 0.00 C ATOM 807 CE LYS A 46 4.091 8.456 3.058 1.00 0.00 C ATOM 808 NZ LYS A 46 5.447 8.814 2.557 1.00 0.00 N ATOM 0 H LYS A 46 -0.354 4.417 3.354 1.00 0.00 H new ATOM 0 HA LYS A 46 1.515 4.460 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.929 6.018 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.361 5.217 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.082 5.981 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.126 7.327 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.752 6.677 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.809 6.445 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.337 8.867 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.933 8.913 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.533 9.849 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.167 8.444 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.589 8.400 1.614 1.00 0.00 H new ATOM 822 N ILE A 47 2.330 2.518 3.823 1.00 0.00 N ATOM 823 CA ILE A 47 3.218 1.434 4.225 1.00 0.00 C ATOM 824 C ILE A 47 3.053 0.233 3.299 1.00 0.00 C ATOM 825 O ILE A 47 4.031 -0.417 2.927 1.00 0.00 O ATOM 826 CB ILE A 47 2.955 0.993 5.680 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.121 2.177 6.634 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.892 -0.141 6.075 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.405 1.994 7.954 1.00 0.00 C ATOM 0 H ILE A 47 1.613 2.754 4.509 1.00 0.00 H new ATOM 0 HA ILE A 47 4.238 1.813 4.156 1.00 0.00 H new ATOM 0 HB ILE A 47 1.929 0.631 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.183 2.334 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.748 3.079 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.691 -0.438 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.731 -0.993 5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.926 0.195 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.566 2.872 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.337 1.868 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.795 1.111 8.460 1.00 0.00 H new ATOM 841 N TRP A 48 1.810 -0.053 2.928 1.00 0.00 N ATOM 842 CA TRP A 48 1.516 -1.172 2.043 1.00 0.00 C ATOM 843 C TRP A 48 2.199 -0.986 0.693 1.00 0.00 C ATOM 844 O TRP A 48 2.792 -1.919 0.153 1.00 0.00 O ATOM 845 CB TRP A 48 0.006 -1.317 1.850 1.00 0.00 C ATOM 846 CG TRP A 48 -0.372 -2.487 0.995 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.590 -3.770 1.410 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.575 -2.483 -0.422 1.00 0.00 C ATOM 849 NE1 TRP A 48 -0.915 -4.563 0.337 1.00 0.00 N ATOM 850 CE2 TRP A 48 -0.913 -3.797 -0.800 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.503 -1.496 -1.409 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.180 -4.148 -2.120 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.767 -1.846 -2.719 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.102 -3.161 -3.065 1.00 0.00 C ATOM 0 H TRP A 48 0.990 0.475 3.227 1.00 0.00 H new ATOM 0 HA TRP A 48 1.902 -2.081 2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.470 -1.420 2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.385 -0.405 1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.517 -4.111 2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.124 -5.560 0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.246 -0.479 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.439 -5.161 -2.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.714 -1.092 -3.490 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.303 -3.401 -4.099 1.00 0.00 H new ATOM 865 N PHE A 49 2.115 0.227 0.155 1.00 0.00 N ATOM 866 CA PHE A 49 2.730 0.535 -1.132 1.00 0.00 C ATOM 867 C PHE A 49 4.246 0.401 -1.049 1.00 0.00 C ATOM 868 O PHE A 49 4.871 -0.227 -1.904 1.00 0.00 O ATOM 869 CB PHE A 49 2.351 1.951 -1.577 1.00 0.00 C ATOM 870 CG PHE A 49 1.248 1.987 -2.596 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.067 1.761 -2.221 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.526 2.249 -3.928 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.083 1.793 -3.157 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.512 2.282 -4.867 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.793 2.054 -4.482 1.00 0.00 C ATOM 0 H PHE A 49 1.628 1.011 0.589 1.00 0.00 H new ATOM 0 HA PHE A 49 2.359 -0.178 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.046 2.528 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.232 2.441 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.300 1.558 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.545 2.429 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.104 1.614 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.742 2.486 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.586 2.080 -5.215 1.00 0.00 H new ATOM 885 N GLN A 50 4.831 0.990 -0.011 1.00 0.00 N ATOM 886 CA GLN A 50 6.274 0.932 0.188 1.00 0.00 C ATOM 887 C GLN A 50 6.731 -0.508 0.407 1.00 0.00 C ATOM 888 O GLN A 50 7.774 -0.923 -0.097 1.00 0.00 O ATOM 889 CB GLN A 50 6.682 1.796 1.382 1.00 0.00 C ATOM 890 CG GLN A 50 6.589 3.289 1.112 1.00 0.00 C ATOM 891 CD GLN A 50 6.756 4.120 2.369 1.00 0.00 C ATOM 892 OE1 GLN A 50 5.783 4.432 3.056 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.995 4.486 2.677 1.00 0.00 N ATOM 0 H GLN A 50 4.327 1.513 0.705 1.00 0.00 H new ATOM 0 HA GLN A 50 6.757 1.318 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.047 1.549 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.705 1.549 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.354 3.572 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.624 3.513 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.773 4.206 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.169 5.047 3.511 1.00 0.00 H new ATOM 902 N ASN A 51 5.938 -1.264 1.160 1.00 0.00 N ATOM 903 CA ASN A 51 6.257 -2.658 1.444 1.00 0.00 C ATOM 904 C ASN A 51 6.131 -3.508 0.184 1.00 0.00 C ATOM 905 O ASN A 51 6.928 -4.417 -0.047 1.00 0.00 O ATOM 906 CB ASN A 51 5.335 -3.202 2.538 1.00 0.00 C ATOM 907 CG ASN A 51 5.978 -3.155 3.910 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.169 -4.186 4.555 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.313 -1.953 4.366 1.00 0.00 N ATOM 0 H ASN A 51 5.071 -0.935 1.584 1.00 0.00 H new ATOM 0 HA ASN A 51 7.288 -2.708 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.411 -2.623 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.063 -4.231 2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.747 -1.859 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.136 -1.125 3.798 1.00 0.00 H new ATOM 916 N LYS A 52 5.123 -3.205 -0.629 1.00 0.00 N ATOM 917 CA LYS A 52 4.896 -3.941 -1.868 1.00 0.00 C ATOM 918 C LYS A 52 6.023 -3.684 -2.860 1.00 0.00 C ATOM 919 O LYS A 52 6.420 -4.578 -3.606 1.00 0.00 O ATOM 920 CB LYS A 52 3.554 -3.541 -2.486 1.00 0.00 C ATOM 921 CG LYS A 52 2.686 -4.726 -2.875 1.00 0.00 C ATOM 922 CD LYS A 52 2.256 -5.524 -1.656 1.00 0.00 C ATOM 923 CE LYS A 52 1.247 -6.601 -2.022 1.00 0.00 C ATOM 924 NZ LYS A 52 1.455 -7.846 -1.234 1.00 0.00 N ATOM 0 H LYS A 52 4.452 -2.457 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 52 4.875 -5.005 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.008 -2.919 -1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.738 -2.930 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.804 -4.373 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.236 -5.372 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.130 -5.984 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.821 -4.853 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.238 -6.227 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.326 -6.827 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.748 -8.556 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.409 -8.218 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.354 -7.636 -0.220 1.00 0.00 H new ATOM 938 N ARG A 53 6.530 -2.456 -2.864 1.00 0.00 N ATOM 939 CA ARG A 53 7.611 -2.071 -3.764 1.00 0.00 C ATOM 940 C ARG A 53 8.890 -2.845 -3.452 1.00 0.00 C ATOM 941 O ARG A 53 9.660 -3.179 -4.353 1.00 0.00 O ATOM 942 CB ARG A 53 7.874 -0.567 -3.657 1.00 0.00 C ATOM 943 CG ARG A 53 8.178 0.095 -4.991 1.00 0.00 C ATOM 944 CD ARG A 53 9.589 0.662 -5.030 1.00 0.00 C ATOM 945 NE ARG A 53 10.276 0.328 -6.275 1.00 0.00 N ATOM 946 CZ ARG A 53 11.599 0.234 -6.391 1.00 0.00 C ATOM 947 NH1 ARG A 53 12.386 0.458 -5.345 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.139 -0.082 -7.561 1.00 0.00 N ATOM 0 H ARG A 53 6.208 -1.707 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 53 7.305 -2.313 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.003 -0.085 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.711 -0.401 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.056 -0.632 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.460 0.894 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.548 1.745 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.159 0.275 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 53 9.708 0.157 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.978 0.704 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.399 0.384 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.541 -0.252 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.152 -0.155 -7.652 1.00 0.00 H new