USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 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 35 SER OG : rot -9:sc= -1.71 USER MOD Set 1.2: A 36 SER OG : rot 79:sc= 0.903 USER MOD Single : A 9 SER OG : rot 180:sc= -0.764 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.78) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.287) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 32 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.8!) USER MOD Single : A 41 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.76) USER MOD Single : A 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.042) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.75! C(o=-2.8!,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ -103:sc= -0.821 (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.224 -7.435 3.333 1.00 0.00 N ATOM 176 CA SER A 9 -9.104 -8.399 2.683 1.00 0.00 C ATOM 177 C SER A 9 -8.761 -8.536 1.204 1.00 0.00 C ATOM 178 O SER A 9 -8.116 -7.663 0.625 1.00 0.00 O ATOM 179 CB SER A 9 -10.565 -7.975 2.841 1.00 0.00 C ATOM 180 OG SER A 9 -10.956 -7.089 1.805 1.00 0.00 O ATOM 0 HA SER A 9 -8.959 -9.367 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.206 -8.857 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.704 -7.492 3.808 1.00 0.00 H new ATOM 0 HG SER A 9 -11.894 -6.835 1.929 1.00 0.00 H new ATOM 186 N SER A 10 -9.200 -9.632 0.595 1.00 0.00 N ATOM 187 CA SER A 10 -8.943 -9.876 -0.821 1.00 0.00 C ATOM 188 C SER A 10 -9.398 -8.692 -1.671 1.00 0.00 C ATOM 189 O SER A 10 -8.698 -8.270 -2.591 1.00 0.00 O ATOM 190 CB SER A 10 -9.654 -11.150 -1.278 1.00 0.00 C ATOM 191 OG SER A 10 -9.327 -11.464 -2.621 1.00 0.00 O ATOM 0 H SER A 10 -9.735 -10.366 1.059 1.00 0.00 H new ATOM 0 HA SER A 10 -7.868 -10.001 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.373 -11.979 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.732 -11.022 -1.184 1.00 0.00 H new ATOM 0 HG SER A 10 -9.793 -12.284 -2.888 1.00 0.00 H new ATOM 197 N GLU A 11 -10.576 -8.163 -1.355 1.00 0.00 N ATOM 198 CA GLU A 11 -11.129 -7.029 -2.089 1.00 0.00 C ATOM 199 C GLU A 11 -10.298 -5.769 -1.860 1.00 0.00 C ATOM 200 O GLU A 11 -10.055 -4.997 -2.790 1.00 0.00 O ATOM 201 CB GLU A 11 -12.578 -6.780 -1.670 1.00 0.00 C ATOM 202 CG GLU A 11 -13.269 -5.700 -2.485 1.00 0.00 C ATOM 203 CD GLU A 11 -14.712 -6.041 -2.804 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.426 -6.510 -1.892 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.127 -5.841 -3.965 1.00 0.00 O ATOM 0 H GLU A 11 -11.167 -8.501 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.101 -7.271 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.140 -7.710 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.600 -6.499 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.235 -4.759 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.722 -5.547 -3.415 1.00 0.00 H new ATOM 212 N GLN A 12 -9.866 -5.563 -0.620 1.00 0.00 N ATOM 213 CA GLN A 12 -9.066 -4.391 -0.280 1.00 0.00 C ATOM 214 C GLN A 12 -7.704 -4.458 -0.962 1.00 0.00 C ATOM 215 O GLN A 12 -7.303 -3.525 -1.658 1.00 0.00 O ATOM 216 CB GLN A 12 -8.890 -4.286 1.237 1.00 0.00 C ATOM 217 CG GLN A 12 -10.200 -4.119 1.990 1.00 0.00 C ATOM 218 CD GLN A 12 -10.026 -4.229 3.492 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.135 -4.926 3.978 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.882 -3.539 4.239 1.00 0.00 N ATOM 0 H GLN A 12 -10.055 -6.189 0.163 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.590 -3.503 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.384 -5.181 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.241 -3.440 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.633 -3.148 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.908 -4.877 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.606 -2.974 3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.815 -3.575 5.256 1.00 0.00 H new ATOM 229 N LEU A 13 -7.003 -5.568 -0.769 1.00 0.00 N ATOM 230 CA LEU A 13 -5.694 -5.755 -1.379 1.00 0.00 C ATOM 231 C LEU A 13 -5.816 -5.760 -2.897 1.00 0.00 C ATOM 232 O LEU A 13 -4.913 -5.320 -3.604 1.00 0.00 O ATOM 233 CB LEU A 13 -5.065 -7.070 -0.912 1.00 0.00 C ATOM 234 CG LEU A 13 -4.506 -7.076 0.517 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.461 -8.171 0.666 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.905 -5.724 0.879 1.00 0.00 C ATOM 0 H LEU A 13 -7.319 -6.351 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.054 -4.928 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.815 -7.857 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.258 -7.328 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.331 -7.273 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.071 -8.166 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.916 -9.139 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.646 -7.994 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.517 -5.759 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.094 -5.490 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.673 -4.954 0.810 1.00 0.00 H new ATOM 248 N ALA A 14 -6.943 -6.262 -3.388 1.00 0.00 N ATOM 249 CA ALA A 14 -7.191 -6.322 -4.822 1.00 0.00 C ATOM 250 C ALA A 14 -7.220 -4.923 -5.423 1.00 0.00 C ATOM 251 O ALA A 14 -6.587 -4.662 -6.445 1.00 0.00 O ATOM 252 CB ALA A 14 -8.496 -7.049 -5.105 1.00 0.00 C ATOM 0 H ALA A 14 -7.699 -6.633 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.376 -6.877 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.666 -7.085 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.439 -8.064 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.319 -6.520 -4.625 1.00 0.00 H new ATOM 258 N ARG A 15 -7.953 -4.023 -4.775 1.00 0.00 N ATOM 259 CA ARG A 15 -8.054 -2.646 -5.243 1.00 0.00 C ATOM 260 C ARG A 15 -6.688 -1.972 -5.202 1.00 0.00 C ATOM 261 O ARG A 15 -6.237 -1.387 -6.189 1.00 0.00 O ATOM 262 CB ARG A 15 -9.051 -1.862 -4.388 1.00 0.00 C ATOM 263 CG ARG A 15 -9.396 -0.493 -4.952 1.00 0.00 C ATOM 264 CD ARG A 15 -10.671 0.059 -4.338 1.00 0.00 C ATOM 265 NE ARG A 15 -11.866 -0.569 -4.897 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.076 -0.482 -4.350 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.257 0.205 -3.230 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.108 -1.085 -4.923 1.00 0.00 N ATOM 0 H ARG A 15 -8.484 -4.222 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.411 -2.658 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.967 -2.445 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.639 -1.739 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.573 0.196 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.513 -0.563 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.651 -0.097 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.716 1.135 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.767 -1.106 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.467 0.670 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.187 0.268 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.975 -1.616 -5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.035 -1.018 -4.503 1.00 0.00 H new ATOM 282 N LEU A 16 -6.029 -2.070 -4.052 1.00 0.00 N ATOM 283 CA LEU A 16 -4.708 -1.483 -3.876 1.00 0.00 C ATOM 284 C LEU A 16 -3.718 -2.101 -4.858 1.00 0.00 C ATOM 285 O LEU A 16 -2.809 -1.430 -5.347 1.00 0.00 O ATOM 286 CB LEU A 16 -4.223 -1.690 -2.441 1.00 0.00 C ATOM 287 CG LEU A 16 -4.977 -0.887 -1.378 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.222 -1.734 -0.138 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.207 0.375 -1.019 1.00 0.00 C ATOM 0 H LEU A 16 -6.390 -2.551 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.775 -0.413 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.301 -2.749 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.166 -1.428 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.944 -0.597 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.759 -1.144 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.816 -2.608 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.267 -2.057 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.757 0.934 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.226 0.104 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.085 0.992 -1.909 1.00 0.00 H new ATOM 301 N LYS A 17 -3.910 -3.385 -5.145 1.00 0.00 N ATOM 302 CA LYS A 17 -3.046 -4.103 -6.074 1.00 0.00 C ATOM 303 C LYS A 17 -3.133 -3.488 -7.465 1.00 0.00 C ATOM 304 O LYS A 17 -2.116 -3.247 -8.114 1.00 0.00 O ATOM 305 CB LYS A 17 -3.441 -5.581 -6.130 1.00 0.00 C ATOM 306 CG LYS A 17 -2.545 -6.484 -5.296 1.00 0.00 C ATOM 307 CD LYS A 17 -1.678 -7.375 -6.172 1.00 0.00 C ATOM 308 CE LYS A 17 -1.227 -8.624 -5.430 1.00 0.00 C ATOM 309 NZ LYS A 17 0.254 -8.771 -5.437 1.00 0.00 N ATOM 0 H LYS A 17 -4.659 -3.950 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.018 -4.025 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.470 -5.687 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.416 -5.916 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.909 -5.874 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.159 -7.103 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.235 -7.662 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.805 -6.816 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.583 -8.583 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.681 -9.502 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.507 -9.753 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.622 -8.533 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.670 -8.130 -4.732 1.00 0.00 H new ATOM 323 N ARG A 18 -4.358 -3.231 -7.912 1.00 0.00 N ATOM 324 CA ARG A 18 -4.583 -2.639 -9.223 1.00 0.00 C ATOM 325 C ARG A 18 -3.958 -1.249 -9.298 1.00 0.00 C ATOM 326 O ARG A 18 -3.333 -0.893 -10.297 1.00 0.00 O ATOM 327 CB ARG A 18 -6.081 -2.557 -9.520 1.00 0.00 C ATOM 328 CG ARG A 18 -6.770 -3.913 -9.543 1.00 0.00 C ATOM 329 CD ARG A 18 -6.391 -4.707 -10.783 1.00 0.00 C ATOM 330 NE ARG A 18 -7.474 -5.587 -11.223 1.00 0.00 N ATOM 331 CZ ARG A 18 -7.560 -6.880 -10.914 1.00 0.00 C ATOM 332 NH1 ARG A 18 -6.639 -7.456 -10.150 1.00 0.00 N ATOM 333 NH2 ARG A 18 -8.577 -7.600 -11.368 1.00 0.00 N ATOM 0 H ARG A 18 -5.209 -3.424 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.110 -3.275 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.558 -1.928 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.226 -2.068 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.497 -4.477 -8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.851 -3.774 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.133 -4.020 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.502 -5.302 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.210 -5.185 -11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.856 -6.908 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.714 -8.447 -9.919 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.290 -7.164 -11.952 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.646 -8.590 -11.133 1.00 0.00 H new ATOM 347 N GLU A 19 -4.130 -0.471 -8.235 1.00 0.00 N ATOM 348 CA GLU A 19 -3.578 0.878 -8.183 1.00 0.00 C ATOM 349 C GLU A 19 -2.054 0.844 -8.244 1.00 0.00 C ATOM 350 O GLU A 19 -1.436 1.600 -8.994 1.00 0.00 O ATOM 351 CB GLU A 19 -4.033 1.593 -6.909 1.00 0.00 C ATOM 352 CG GLU A 19 -3.645 3.062 -6.864 1.00 0.00 C ATOM 353 CD GLU A 19 -4.605 3.942 -7.641 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.208 3.447 -8.616 1.00 0.00 O ATOM 355 OE2 GLU A 19 -4.751 5.128 -7.275 1.00 0.00 O ATOM 0 H GLU A 19 -4.645 -0.750 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.948 1.427 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.116 1.509 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.604 1.086 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.612 3.394 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.640 3.181 -7.269 1.00 0.00 H new ATOM 362 N PHE A 20 -1.454 -0.038 -7.450 1.00 0.00 N ATOM 363 CA PHE A 20 -0.002 -0.170 -7.416 1.00 0.00 C ATOM 364 C PHE A 20 0.536 -0.613 -8.772 1.00 0.00 C ATOM 365 O PHE A 20 1.595 -0.163 -9.209 1.00 0.00 O ATOM 366 CB PHE A 20 0.416 -1.170 -6.337 1.00 0.00 C ATOM 367 CG PHE A 20 1.902 -1.241 -6.127 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.710 -1.925 -7.021 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.492 -0.621 -5.037 1.00 0.00 C ATOM 370 CE1 PHE A 20 4.078 -1.989 -6.831 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.859 -0.683 -4.841 1.00 0.00 C ATOM 372 CZ PHE A 20 4.652 -1.367 -5.740 1.00 0.00 C ATOM 0 H PHE A 20 -1.950 -0.671 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 20 0.420 0.806 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.063 -0.898 -5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.048 -2.160 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.266 -2.414 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.876 -0.083 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.697 -2.525 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.306 -0.197 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.720 -1.416 -5.590 1.00 0.00 H new ATOM 382 N ASN A 21 -0.201 -1.499 -9.436 1.00 0.00 N ATOM 383 CA ASN A 21 0.201 -2.001 -10.744 1.00 0.00 C ATOM 384 C ASN A 21 0.259 -0.867 -11.763 1.00 0.00 C ATOM 385 O ASN A 21 1.084 -0.881 -12.677 1.00 0.00 O ATOM 386 CB ASN A 21 -0.768 -3.086 -11.219 1.00 0.00 C ATOM 387 CG ASN A 21 -0.048 -4.324 -11.718 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.545 -4.318 -12.796 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.097 -5.394 -10.933 1.00 0.00 N ATOM 0 H ASN A 21 -1.080 -1.883 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 21 1.197 -2.434 -10.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.432 -3.361 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.394 -2.687 -12.017 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.369 -6.256 -11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.601 -5.354 -10.047 1.00 0.00 H new ATOM 396 N GLU A 22 -0.616 0.118 -11.592 1.00 0.00 N ATOM 397 CA GLU A 22 -0.663 1.265 -12.490 1.00 0.00 C ATOM 398 C GLU A 22 0.378 2.301 -12.086 1.00 0.00 C ATOM 399 O GLU A 22 0.942 2.996 -12.931 1.00 0.00 O ATOM 400 CB GLU A 22 -2.056 1.895 -12.473 1.00 0.00 C ATOM 401 CG GLU A 22 -3.153 0.965 -12.963 1.00 0.00 C ATOM 402 CD GLU A 22 -2.852 0.374 -14.327 1.00 0.00 C ATOM 403 OE1 GLU A 22 -2.626 1.156 -15.275 1.00 0.00 O ATOM 404 OE2 GLU A 22 -2.843 -0.869 -14.447 1.00 0.00 O ATOM 0 H GLU A 22 -1.303 0.145 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.442 0.920 -13.500 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.289 2.213 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.047 2.791 -13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.288 0.158 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.095 1.512 -13.008 1.00 0.00 H new ATOM 411 N ASN A 23 0.628 2.393 -10.786 1.00 0.00 N ATOM 412 CA ASN A 23 1.603 3.338 -10.255 1.00 0.00 C ATOM 413 C ASN A 23 2.111 2.876 -8.893 1.00 0.00 C ATOM 414 O ASN A 23 1.371 2.876 -7.910 1.00 0.00 O ATOM 415 CB ASN A 23 0.984 4.734 -10.141 1.00 0.00 C ATOM 416 CG ASN A 23 1.874 5.809 -10.733 1.00 0.00 C ATOM 417 OD1 ASN A 23 1.745 6.162 -11.905 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.784 6.337 -9.923 1.00 0.00 N ATOM 0 H ASN A 23 0.167 1.822 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 23 2.447 3.383 -10.943 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.020 4.744 -10.649 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.794 4.960 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.411 7.065 -10.266 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.856 6.015 -8.958 1.00 0.00 H new ATOM 425 N ARG A 24 3.381 2.483 -8.846 1.00 0.00 N ATOM 426 CA ARG A 24 4.001 2.013 -7.610 1.00 0.00 C ATOM 427 C ARG A 24 4.290 3.166 -6.645 1.00 0.00 C ATOM 428 O ARG A 24 4.893 2.963 -5.591 1.00 0.00 O ATOM 429 CB ARG A 24 5.291 1.255 -7.930 1.00 0.00 C ATOM 430 CG ARG A 24 5.129 0.246 -9.055 1.00 0.00 C ATOM 431 CD ARG A 24 6.414 -0.525 -9.311 1.00 0.00 C ATOM 432 NE ARG A 24 6.153 -1.913 -9.688 1.00 0.00 N ATOM 433 CZ ARG A 24 5.533 -2.274 -10.809 1.00 0.00 C ATOM 434 NH1 ARG A 24 5.122 -1.355 -11.675 1.00 0.00 N ATOM 435 NH2 ARG A 24 5.327 -3.558 -11.066 1.00 0.00 N ATOM 0 H ARG A 24 4.004 2.481 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 24 3.297 1.342 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.067 1.970 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.633 0.738 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.330 -0.452 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.827 0.763 -9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.980 -0.034 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.035 -0.503 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 24 6.465 -2.649 -9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.281 -0.366 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.647 -1.638 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.643 -4.268 -10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.852 -3.836 -11.925 1.00 0.00 H new ATOM 449 N TYR A 25 3.856 4.371 -7.005 1.00 0.00 N ATOM 450 CA TYR A 25 4.065 5.543 -6.167 1.00 0.00 C ATOM 451 C TYR A 25 2.729 6.195 -5.832 1.00 0.00 C ATOM 452 O TYR A 25 1.912 6.447 -6.718 1.00 0.00 O ATOM 453 CB TYR A 25 4.973 6.551 -6.876 1.00 0.00 C ATOM 454 CG TYR A 25 6.373 6.037 -7.126 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.667 5.289 -8.259 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.402 6.302 -6.230 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.945 4.819 -8.492 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.683 5.836 -6.456 1.00 0.00 C ATOM 459 CZ TYR A 25 8.950 5.095 -7.589 1.00 0.00 C ATOM 460 OH TYR A 25 10.224 4.629 -7.817 1.00 0.00 O ATOM 0 H TYR A 25 3.356 4.559 -7.874 1.00 0.00 H new ATOM 0 HA TYR A 25 4.547 5.225 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.521 6.826 -7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.031 7.459 -6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.883 5.071 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.197 6.882 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.156 4.238 -9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.471 6.051 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 25 10.812 4.912 -7.086 1.00 0.00 H new ATOM 470 N LEU A 26 2.504 6.453 -4.551 1.00 0.00 N ATOM 471 CA LEU A 26 1.257 7.063 -4.109 1.00 0.00 C ATOM 472 C LEU A 26 1.376 8.577 -4.008 1.00 0.00 C ATOM 473 O LEU A 26 2.435 9.155 -4.252 1.00 0.00 O ATOM 474 CB LEU A 26 0.838 6.497 -2.749 1.00 0.00 C ATOM 475 CG LEU A 26 -0.080 5.273 -2.784 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.630 5.000 -1.395 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.231 5.469 -3.757 1.00 0.00 C ATOM 0 H LEU A 26 3.166 6.250 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 26 0.499 6.826 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.739 6.235 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.337 7.286 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 26 0.511 4.422 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.283 4.128 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.195 4.811 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.197 5.865 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.863 4.581 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.821 6.334 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.836 5.633 -4.760 1.00 0.00 H new ATOM 489 N THR A 27 0.270 9.202 -3.628 1.00 0.00 N ATOM 490 CA THR A 27 0.204 10.646 -3.463 1.00 0.00 C ATOM 491 C THR A 27 -0.771 10.986 -2.347 1.00 0.00 C ATOM 492 O THR A 27 -1.543 10.134 -1.914 1.00 0.00 O ATOM 493 CB THR A 27 -0.247 11.313 -4.763 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.627 11.078 -4.991 1.00 0.00 O ATOM 495 CG2 THR A 27 0.509 10.832 -5.981 1.00 0.00 C ATOM 0 H THR A 27 -0.607 8.721 -3.426 1.00 0.00 H new ATOM 0 HA THR A 27 1.197 11.017 -3.207 1.00 0.00 H new ATOM 0 HB THR A 27 -0.041 12.375 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.899 11.513 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.137 11.347 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.571 11.044 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.364 9.758 -6.098 1.00 0.00 H new ATOM 503 N GLU A 28 -0.745 12.227 -1.884 1.00 0.00 N ATOM 504 CA GLU A 28 -1.648 12.649 -0.823 1.00 0.00 C ATOM 505 C GLU A 28 -3.096 12.390 -1.226 1.00 0.00 C ATOM 506 O GLU A 28 -3.863 11.783 -0.480 1.00 0.00 O ATOM 507 CB GLU A 28 -1.445 14.131 -0.504 1.00 0.00 C ATOM 508 CG GLU A 28 -0.263 14.399 0.414 1.00 0.00 C ATOM 509 CD GLU A 28 0.709 15.410 -0.161 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.486 16.624 0.032 1.00 0.00 O ATOM 511 OE2 GLU A 28 1.692 14.989 -0.805 1.00 0.00 O ATOM 0 H GLU A 28 -0.115 12.954 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.424 12.068 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.302 14.678 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.351 14.522 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.630 14.760 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.263 13.463 0.604 1.00 0.00 H new ATOM 518 N ARG A 29 -3.456 12.850 -2.420 1.00 0.00 N ATOM 519 CA ARG A 29 -4.806 12.668 -2.940 1.00 0.00 C ATOM 520 C ARG A 29 -5.164 11.187 -3.062 1.00 0.00 C ATOM 521 O ARG A 29 -6.283 10.786 -2.745 1.00 0.00 O ATOM 522 CB ARG A 29 -4.947 13.352 -4.301 1.00 0.00 C ATOM 523 CG ARG A 29 -6.276 14.070 -4.483 1.00 0.00 C ATOM 524 CD ARG A 29 -6.895 13.773 -5.839 1.00 0.00 C ATOM 525 NE ARG A 29 -6.227 14.500 -6.918 1.00 0.00 N ATOM 526 CZ ARG A 29 -5.324 13.962 -7.739 1.00 0.00 C ATOM 527 NH1 ARG A 29 -4.971 12.688 -7.615 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.772 14.704 -8.688 1.00 0.00 N ATOM 0 H ARG A 29 -2.829 13.353 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.498 13.126 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.135 14.069 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.835 12.606 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.965 13.766 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.126 15.145 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.841 12.702 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.952 14.041 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.467 15.482 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.391 12.111 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.279 12.286 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.038 15.684 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.081 14.296 -9.318 1.00 0.00 H new ATOM 542 N ARG A 30 -4.214 10.380 -3.534 1.00 0.00 N ATOM 543 CA ARG A 30 -4.448 8.950 -3.704 1.00 0.00 C ATOM 544 C ARG A 30 -4.607 8.258 -2.356 1.00 0.00 C ATOM 545 O ARG A 30 -5.482 7.412 -2.182 1.00 0.00 O ATOM 546 CB ARG A 30 -3.299 8.311 -4.484 1.00 0.00 C ATOM 547 CG ARG A 30 -3.396 8.505 -5.987 1.00 0.00 C ATOM 548 CD ARG A 30 -2.280 7.772 -6.714 1.00 0.00 C ATOM 549 NE ARG A 30 -2.692 7.318 -8.040 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.916 8.135 -9.066 1.00 0.00 C ATOM 551 NH1 ARG A 30 -2.776 9.447 -8.922 1.00 0.00 N ATOM 552 NH2 ARG A 30 -3.280 7.639 -10.241 1.00 0.00 N ATOM 0 H ARG A 30 -3.281 10.692 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.373 8.826 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.356 8.731 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.274 7.243 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.362 8.143 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.348 9.568 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.417 8.430 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.963 6.915 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.815 6.316 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.495 9.834 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.949 10.068 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.388 6.632 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.452 8.265 -11.028 1.00 0.00 H new ATOM 566 N ARG A 31 -3.755 8.624 -1.406 1.00 0.00 N ATOM 567 CA ARG A 31 -3.807 8.038 -0.075 1.00 0.00 C ATOM 568 C ARG A 31 -5.130 8.377 0.604 1.00 0.00 C ATOM 569 O ARG A 31 -5.794 7.509 1.168 1.00 0.00 O ATOM 570 CB ARG A 31 -2.636 8.543 0.773 1.00 0.00 C ATOM 571 CG ARG A 31 -1.783 7.430 1.359 1.00 0.00 C ATOM 572 CD ARG A 31 -0.300 7.746 1.249 1.00 0.00 C ATOM 573 NE ARG A 31 0.019 9.070 1.778 1.00 0.00 N ATOM 574 CZ ARG A 31 0.236 9.324 3.067 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.158 8.350 3.966 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.528 10.556 3.461 1.00 0.00 N ATOM 0 H ARG A 31 -3.022 9.322 -1.533 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.731 6.955 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.006 9.187 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.025 9.157 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.047 7.281 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.996 6.495 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.272 6.992 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.006 7.690 0.204 1.00 0.00 H new ATOM 0 HE ARG A 31 0.079 9.847 1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.069 7.400 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.325 8.551 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.587 11.310 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.694 10.750 4.449 1.00 0.00 H new ATOM 590 N GLN A 32 -5.505 9.651 0.539 1.00 0.00 N ATOM 591 CA GLN A 32 -6.747 10.119 1.141 1.00 0.00 C ATOM 592 C GLN A 32 -7.957 9.543 0.413 1.00 0.00 C ATOM 593 O GLN A 32 -8.957 9.186 1.037 1.00 0.00 O ATOM 594 CB GLN A 32 -6.805 11.648 1.116 1.00 0.00 C ATOM 595 CG GLN A 32 -7.789 12.236 2.114 1.00 0.00 C ATOM 596 CD GLN A 32 -8.183 13.659 1.774 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.003 14.574 2.578 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.725 13.855 0.578 1.00 0.00 N ATOM 0 H GLN A 32 -4.964 10.379 0.073 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.771 9.776 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.811 12.044 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.078 11.977 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.683 11.613 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.348 12.213 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.856 13.068 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.010 14.792 0.295 1.00 0.00 H new ATOM 607 N GLN A 33 -7.863 9.457 -0.911 1.00 0.00 N ATOM 608 CA GLN A 33 -8.952 8.924 -1.721 1.00 0.00 C ATOM 609 C GLN A 33 -9.156 7.440 -1.444 1.00 0.00 C ATOM 610 O GLN A 33 -10.278 6.991 -1.207 1.00 0.00 O ATOM 611 CB GLN A 33 -8.668 9.142 -3.208 1.00 0.00 C ATOM 612 CG GLN A 33 -9.186 10.469 -3.740 1.00 0.00 C ATOM 613 CD GLN A 33 -9.246 10.506 -5.255 1.00 0.00 C ATOM 614 OE1 GLN A 33 -8.684 11.400 -5.888 1.00 0.00 O ATOM 615 NE2 GLN A 33 -9.929 9.532 -5.846 1.00 0.00 N ATOM 0 H GLN A 33 -7.044 9.749 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.864 9.457 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.592 9.088 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.120 8.330 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.181 10.655 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.543 11.274 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.380 8.811 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.003 9.505 -6.863 1.00 0.00 H new ATOM 624 N LEU A 34 -8.065 6.682 -1.476 1.00 0.00 N ATOM 625 CA LEU A 34 -8.128 5.248 -1.226 1.00 0.00 C ATOM 626 C LEU A 34 -8.543 4.967 0.215 1.00 0.00 C ATOM 627 O LEU A 34 -9.300 4.036 0.482 1.00 0.00 O ATOM 628 CB LEU A 34 -6.773 4.599 -1.520 1.00 0.00 C ATOM 629 CG LEU A 34 -6.608 4.065 -2.943 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.676 5.201 -3.952 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.296 3.307 -3.079 1.00 0.00 C ATOM 0 H LEU A 34 -7.129 7.036 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.878 4.818 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.988 5.330 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.621 3.778 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.427 3.375 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.557 4.801 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.641 5.701 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.879 5.916 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.195 2.934 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.465 3.975 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.287 2.468 -2.383 1.00 0.00 H new ATOM 643 N SER A 35 -8.048 5.780 1.140 1.00 0.00 N ATOM 644 CA SER A 35 -8.373 5.615 2.551 1.00 0.00 C ATOM 645 C SER A 35 -9.873 5.758 2.779 1.00 0.00 C ATOM 646 O SER A 35 -10.489 4.946 3.466 1.00 0.00 O ATOM 647 CB SER A 35 -7.618 6.645 3.392 1.00 0.00 C ATOM 648 OG SER A 35 -7.805 7.953 2.883 1.00 0.00 O ATOM 0 H SER A 35 -7.421 6.559 0.939 1.00 0.00 H new ATOM 0 HA SER A 35 -8.069 4.614 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.964 6.600 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.555 6.403 3.401 1.00 0.00 H new ATOM 0 HG SER A 35 -8.253 7.904 2.013 1.00 0.00 H new ATOM 654 N SER A 36 -10.448 6.806 2.204 1.00 0.00 N ATOM 655 CA SER A 36 -11.876 7.075 2.343 1.00 0.00 C ATOM 656 C SER A 36 -12.723 6.059 1.577 1.00 0.00 C ATOM 657 O SER A 36 -13.633 5.446 2.137 1.00 0.00 O ATOM 658 CB SER A 36 -12.195 8.489 1.853 1.00 0.00 C ATOM 659 OG SER A 36 -11.376 9.449 2.499 1.00 0.00 O ATOM 0 H SER A 36 -9.946 7.487 1.634 1.00 0.00 H new ATOM 0 HA SER A 36 -12.125 6.988 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.046 8.546 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.244 8.715 2.042 1.00 0.00 H new ATOM 0 HG SER A 36 -10.490 9.458 2.080 1.00 0.00 H new ATOM 665 N GLU A 37 -12.436 5.909 0.287 1.00 0.00 N ATOM 666 CA GLU A 37 -13.186 4.994 -0.572 1.00 0.00 C ATOM 667 C GLU A 37 -13.041 3.535 -0.140 1.00 0.00 C ATOM 668 O GLU A 37 -14.017 2.784 -0.139 1.00 0.00 O ATOM 669 CB GLU A 37 -12.736 5.151 -2.026 1.00 0.00 C ATOM 670 CG GLU A 37 -13.886 5.354 -2.999 1.00 0.00 C ATOM 671 CD GLU A 37 -14.472 6.751 -2.926 1.00 0.00 C ATOM 672 OE1 GLU A 37 -13.843 7.686 -3.464 1.00 0.00 O ATOM 673 OE2 GLU A 37 -15.558 6.909 -2.331 1.00 0.00 O ATOM 0 H GLU A 37 -11.687 6.411 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.239 5.258 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.056 6.000 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.173 4.266 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.537 5.163 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.668 4.624 -2.789 1.00 0.00 H new ATOM 680 N LEU A 38 -11.826 3.127 0.210 1.00 0.00 N ATOM 681 CA LEU A 38 -11.580 1.747 0.620 1.00 0.00 C ATOM 682 C LEU A 38 -11.870 1.550 2.105 1.00 0.00 C ATOM 683 O LEU A 38 -12.423 0.525 2.507 1.00 0.00 O ATOM 684 CB LEU A 38 -10.134 1.349 0.306 1.00 0.00 C ATOM 685 CG LEU A 38 -9.976 0.026 -0.444 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.772 0.083 -1.373 1.00 0.00 C ATOM 687 CD2 LEU A 38 -9.842 -1.130 0.534 1.00 0.00 C ATOM 0 H LEU A 38 -11.001 3.726 0.219 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.256 1.104 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.675 2.141 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.579 1.287 1.242 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.869 -0.138 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.673 -0.866 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.908 0.887 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.871 0.270 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.731 -2.063 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.966 -0.974 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.733 -1.183 1.159 1.00 0.00 H new ATOM 699 N GLY A 39 -11.500 2.534 2.916 1.00 0.00 N ATOM 700 CA GLY A 39 -11.737 2.443 4.346 1.00 0.00 C ATOM 701 C GLY A 39 -10.504 2.011 5.116 1.00 0.00 C ATOM 702 O GLY A 39 -10.579 1.138 5.980 1.00 0.00 O ATOM 0 H GLY A 39 -11.041 3.392 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.072 3.412 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.544 1.734 4.532 1.00 0.00 H new ATOM 706 N LEU A 40 -9.368 2.626 4.807 1.00 0.00 N ATOM 707 CA LEU A 40 -8.115 2.301 5.478 1.00 0.00 C ATOM 708 C LEU A 40 -7.392 3.569 5.923 1.00 0.00 C ATOM 709 O LEU A 40 -7.659 4.657 5.414 1.00 0.00 O ATOM 710 CB LEU A 40 -7.210 1.484 4.553 1.00 0.00 C ATOM 711 CG LEU A 40 -7.653 0.038 4.323 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.271 -0.423 2.925 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.046 -0.876 5.377 1.00 0.00 C ATOM 0 H LEU A 40 -9.289 3.353 4.096 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.350 1.707 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.153 1.988 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.203 1.477 4.969 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.738 -0.010 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.595 -1.454 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.755 0.216 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.189 -0.362 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.371 -1.901 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.959 -0.825 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.373 -0.558 6.367 1.00 0.00 H new ATOM 725 N ASN A 41 -6.475 3.420 6.872 1.00 0.00 N ATOM 726 CA ASN A 41 -5.713 4.554 7.382 1.00 0.00 C ATOM 727 C ASN A 41 -4.611 4.947 6.403 1.00 0.00 C ATOM 728 O ASN A 41 -3.973 4.088 5.794 1.00 0.00 O ATOM 729 CB ASN A 41 -5.106 4.217 8.745 1.00 0.00 C ATOM 730 CG ASN A 41 -5.090 5.410 9.681 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.051 6.177 9.745 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.993 5.572 10.413 1.00 0.00 N ATOM 0 H ASN A 41 -6.241 2.526 7.304 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.393 5.398 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.674 3.407 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.088 3.853 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.923 6.357 11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.221 4.911 10.327 1.00 0.00 H new ATOM 739 N GLU A 42 -4.390 6.251 6.256 1.00 0.00 N ATOM 740 CA GLU A 42 -3.364 6.759 5.349 1.00 0.00 C ATOM 741 C GLU A 42 -2.022 6.077 5.602 1.00 0.00 C ATOM 742 O GLU A 42 -1.312 5.713 4.665 1.00 0.00 O ATOM 743 CB GLU A 42 -3.217 8.273 5.511 1.00 0.00 C ATOM 744 CG GLU A 42 -4.335 9.066 4.854 1.00 0.00 C ATOM 745 CD GLU A 42 -3.979 10.528 4.665 1.00 0.00 C ATOM 746 OE1 GLU A 42 -2.789 10.822 4.421 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.888 11.379 4.761 1.00 0.00 O ATOM 0 H GLU A 42 -4.908 6.975 6.754 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.676 6.536 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.187 8.515 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.263 8.585 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.568 8.624 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.236 8.991 5.463 1.00 0.00 H new ATOM 754 N ALA A 43 -1.683 5.907 6.875 1.00 0.00 N ATOM 755 CA ALA A 43 -0.429 5.268 7.255 1.00 0.00 C ATOM 756 C ALA A 43 -0.399 3.810 6.811 1.00 0.00 C ATOM 757 O ALA A 43 0.656 3.271 6.478 1.00 0.00 O ATOM 758 CB ALA A 43 -0.224 5.365 8.758 1.00 0.00 C ATOM 0 H ALA A 43 -2.260 6.203 7.662 1.00 0.00 H new ATOM 0 HA ALA A 43 0.384 5.791 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.716 4.884 9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.194 6.414 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.047 4.867 9.270 1.00 0.00 H new ATOM 764 N GLN A 44 -1.566 3.174 6.812 1.00 0.00 N ATOM 765 CA GLN A 44 -1.673 1.775 6.414 1.00 0.00 C ATOM 766 C GLN A 44 -1.424 1.619 4.920 1.00 0.00 C ATOM 767 O GLN A 44 -0.697 0.722 4.493 1.00 0.00 O ATOM 768 CB GLN A 44 -3.054 1.225 6.778 1.00 0.00 C ATOM 769 CG GLN A 44 -3.010 -0.137 7.452 1.00 0.00 C ATOM 770 CD GLN A 44 -3.789 -0.168 8.753 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.627 -1.045 8.966 1.00 0.00 O ATOM 772 NE2 GLN A 44 -3.517 0.791 9.629 1.00 0.00 N ATOM 0 H GLN A 44 -2.450 3.605 7.084 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.913 1.207 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.554 1.932 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.657 1.154 5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.414 -0.888 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.973 -0.409 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.815 1.497 9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.010 0.822 10.521 1.00 0.00 H new ATOM 781 N ILE A 45 -2.022 2.501 4.128 1.00 0.00 N ATOM 782 CA ILE A 45 -1.849 2.459 2.684 1.00 0.00 C ATOM 783 C ILE A 45 -0.401 2.757 2.314 1.00 0.00 C ATOM 784 O ILE A 45 0.183 2.093 1.458 1.00 0.00 O ATOM 785 CB ILE A 45 -2.771 3.469 1.972 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.210 3.327 2.471 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.707 3.270 0.465 1.00 0.00 C ATOM 788 CD1 ILE A 45 -4.934 4.649 2.610 1.00 0.00 C ATOM 0 H ILE A 45 -2.628 3.251 4.461 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.115 1.455 2.355 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.426 4.477 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.764 2.689 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.203 2.822 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.363 3.990 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.683 3.419 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.029 2.258 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.948 4.472 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.403 5.282 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.973 5.146 1.641 1.00 0.00 H new ATOM 800 N LYS A 46 0.172 3.761 2.972 1.00 0.00 N ATOM 801 CA LYS A 46 1.554 4.151 2.722 1.00 0.00 C ATOM 802 C LYS A 46 2.508 2.987 2.980 1.00 0.00 C ATOM 803 O LYS A 46 3.401 2.717 2.178 1.00 0.00 O ATOM 804 CB LYS A 46 1.936 5.343 3.602 1.00 0.00 C ATOM 805 CG LYS A 46 2.737 6.408 2.868 1.00 0.00 C ATOM 806 CD LYS A 46 3.999 6.783 3.630 1.00 0.00 C ATOM 807 CE LYS A 46 3.740 7.909 4.617 1.00 0.00 C ATOM 808 NZ LYS A 46 4.800 7.992 5.660 1.00 0.00 N ATOM 0 H LYS A 46 -0.301 4.319 3.683 1.00 0.00 H new ATOM 0 HA LYS A 46 1.638 4.438 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.028 5.794 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.516 4.985 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.005 6.044 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.120 7.295 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.376 5.910 4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.774 7.086 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.685 8.856 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.772 7.757 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.585 8.773 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.836 7.098 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.720 8.163 5.207 1.00 0.00 H new ATOM 822 N ILE A 47 2.314 2.300 4.104 1.00 0.00 N ATOM 823 CA ILE A 47 3.162 1.167 4.456 1.00 0.00 C ATOM 824 C ILE A 47 2.957 0.014 3.479 1.00 0.00 C ATOM 825 O ILE A 47 3.910 -0.664 3.095 1.00 0.00 O ATOM 826 CB ILE A 47 2.886 0.677 5.893 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.191 1.786 6.900 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.710 -0.565 6.207 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.612 1.532 8.274 1.00 0.00 C ATOM 0 H ILE A 47 1.581 2.508 4.782 1.00 0.00 H new ATOM 0 HA ILE A 47 4.195 1.510 4.399 1.00 0.00 H new ATOM 0 HB ILE A 47 1.831 0.416 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.272 1.900 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.800 2.729 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.500 -0.893 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.450 -1.360 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.771 -0.331 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.868 2.360 8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.528 1.447 8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.022 0.606 8.676 1.00 0.00 H new ATOM 841 N TRP A 48 1.709 -0.200 3.080 1.00 0.00 N ATOM 842 CA TRP A 48 1.381 -1.269 2.146 1.00 0.00 C ATOM 843 C TRP A 48 2.067 -1.042 0.804 1.00 0.00 C ATOM 844 O TRP A 48 2.642 -1.965 0.226 1.00 0.00 O ATOM 845 CB TRP A 48 -0.133 -1.358 1.950 1.00 0.00 C ATOM 846 CG TRP A 48 -0.550 -2.512 1.094 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.852 -3.775 1.513 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.707 -2.510 -0.329 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.188 -4.561 0.438 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.107 -3.808 -0.704 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.550 -1.539 -1.325 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.351 -4.159 -2.029 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.793 -1.890 -2.639 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.189 -3.189 -2.981 1.00 0.00 C ATOM 0 H TRP A 48 0.909 0.352 3.388 1.00 0.00 H new ATOM 0 HA TRP A 48 1.740 -2.209 2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.614 -1.444 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.489 -0.432 1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.830 -4.108 2.540 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.454 -5.545 0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.245 -0.535 -1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.657 -5.160 -2.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.675 -1.149 -3.416 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.370 -3.431 -4.018 1.00 0.00 H new ATOM 865 N PHE A 49 2.006 0.192 0.315 1.00 0.00 N ATOM 866 CA PHE A 49 2.626 0.540 -0.956 1.00 0.00 C ATOM 867 C PHE A 49 4.140 0.374 -0.881 1.00 0.00 C ATOM 868 O PHE A 49 4.752 -0.245 -1.752 1.00 0.00 O ATOM 869 CB PHE A 49 2.274 1.979 -1.341 1.00 0.00 C ATOM 870 CG PHE A 49 1.251 2.073 -2.437 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.098 1.921 -2.160 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.641 2.314 -3.745 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.040 2.008 -3.167 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.703 2.401 -4.756 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.639 2.249 -4.467 1.00 0.00 C ATOM 0 H PHE A 49 1.533 0.967 0.780 1.00 0.00 H new ATOM 0 HA PHE A 49 2.242 -0.135 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.900 2.501 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.181 2.495 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.417 1.732 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.689 2.435 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.089 1.888 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.019 2.588 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.374 2.318 -5.256 1.00 0.00 H new ATOM 885 N GLN A 50 4.738 0.928 0.169 1.00 0.00 N ATOM 886 CA GLN A 50 6.180 0.839 0.363 1.00 0.00 C ATOM 887 C GLN A 50 6.614 -0.615 0.509 1.00 0.00 C ATOM 888 O GLN A 50 7.642 -1.025 -0.031 1.00 0.00 O ATOM 889 CB GLN A 50 6.601 1.630 1.603 1.00 0.00 C ATOM 890 CG GLN A 50 6.403 3.130 1.466 1.00 0.00 C ATOM 891 CD GLN A 50 6.822 3.887 2.711 1.00 0.00 C ATOM 892 OE1 GLN A 50 6.334 3.445 3.865 1.00 0.00 O flip ATOM 893 NE2 GLN A 50 7.576 4.857 2.638 1.00 0.00 N flip ATOM 0 H GLN A 50 4.246 1.443 0.899 1.00 0.00 H new ATOM 0 HA GLN A 50 6.667 1.265 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.031 1.274 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.652 1.429 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.977 3.493 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.354 3.337 1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.928 5.163 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.849 5.355 3.485 1.00 0.00 H new ATOM 902 N ASN A 51 5.822 -1.390 1.242 1.00 0.00 N ATOM 903 CA ASN A 51 6.124 -2.799 1.461 1.00 0.00 C ATOM 904 C ASN A 51 5.992 -3.589 0.165 1.00 0.00 C ATOM 905 O ASN A 51 6.762 -4.514 -0.089 1.00 0.00 O ATOM 906 CB ASN A 51 5.192 -3.381 2.526 1.00 0.00 C ATOM 907 CG ASN A 51 5.689 -3.121 3.934 1.00 0.00 C ATOM 908 OD1 ASN A 51 4.965 -2.585 4.772 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.934 -3.500 4.200 1.00 0.00 N ATOM 0 H ASN A 51 4.967 -1.066 1.694 1.00 0.00 H new ATOM 0 HA ASN A 51 7.154 -2.876 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.198 -2.950 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.094 -4.455 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.325 -3.350 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.499 -3.941 3.474 1.00 0.00 H new ATOM 916 N LYS A 52 5.011 -3.219 -0.651 1.00 0.00 N ATOM 917 CA LYS A 52 4.777 -3.894 -1.923 1.00 0.00 C ATOM 918 C LYS A 52 5.937 -3.667 -2.886 1.00 0.00 C ATOM 919 O LYS A 52 6.256 -4.530 -3.703 1.00 0.00 O ATOM 920 CB LYS A 52 3.472 -3.402 -2.552 1.00 0.00 C ATOM 921 CG LYS A 52 2.655 -4.506 -3.203 1.00 0.00 C ATOM 922 CD LYS A 52 2.882 -4.557 -4.705 1.00 0.00 C ATOM 923 CE LYS A 52 1.845 -5.429 -5.396 1.00 0.00 C ATOM 924 NZ LYS A 52 0.455 -5.018 -5.053 1.00 0.00 N ATOM 0 H LYS A 52 4.365 -2.455 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 52 4.699 -4.963 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.868 -2.919 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.703 -2.643 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.922 -5.466 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.596 -4.345 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.841 -3.548 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.880 -4.945 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.984 -5.372 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.997 -6.470 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.059 -5.681 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.466 -4.059 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.131 -5.026 -5.912 1.00 0.00 H new ATOM 938 N ARG A 53 6.566 -2.499 -2.786 1.00 0.00 N ATOM 939 CA ARG A 53 7.690 -2.163 -3.653 1.00 0.00 C ATOM 940 C ARG A 53 8.875 -3.086 -3.394 1.00 0.00 C ATOM 941 O ARG A 53 9.607 -3.446 -4.317 1.00 0.00 O ATOM 942 CB ARG A 53 8.108 -0.706 -3.444 1.00 0.00 C ATOM 943 CG ARG A 53 8.931 -0.142 -4.591 1.00 0.00 C ATOM 944 CD ARG A 53 9.212 1.340 -4.402 1.00 0.00 C ATOM 945 NE ARG A 53 10.224 1.830 -5.339 1.00 0.00 N ATOM 946 CZ ARG A 53 11.467 2.164 -4.994 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.875 2.055 -3.735 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.311 2.604 -5.918 1.00 0.00 N ATOM 0 H ARG A 53 6.317 -1.772 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 53 7.369 -2.296 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.215 -0.095 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.684 -0.630 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.873 -0.685 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.400 -0.295 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.289 1.904 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.547 1.518 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 53 9.961 1.922 -6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.234 1.712 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.829 2.314 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.008 2.686 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.263 2.861 -5.658 1.00 0.00 H new