USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 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= 0.325 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0423 K(o=-0.042,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 35 SER OG : rot -85:sc= 0.275 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0226) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0.198 (180deg=0.117) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.530 -6.784 3.400 1.00 0.00 N ATOM 176 CA SER A 9 -9.490 -7.701 2.797 1.00 0.00 C ATOM 177 C SER A 9 -9.148 -7.956 1.334 1.00 0.00 C ATOM 178 O SER A 9 -8.447 -7.166 0.704 1.00 0.00 O ATOM 179 CB SER A 9 -10.906 -7.135 2.906 1.00 0.00 C ATOM 180 OG SER A 9 -11.154 -6.186 1.883 1.00 0.00 O ATOM 0 HA SER A 9 -9.441 -8.646 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.632 -7.946 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.040 -6.667 3.881 1.00 0.00 H new ATOM 0 HG SER A 9 -12.066 -5.839 1.973 1.00 0.00 H new ATOM 186 N SER A 10 -9.651 -9.063 0.797 1.00 0.00 N ATOM 187 CA SER A 10 -9.401 -9.417 -0.596 1.00 0.00 C ATOM 188 C SER A 10 -9.777 -8.268 -1.528 1.00 0.00 C ATOM 189 O SER A 10 -9.060 -7.969 -2.483 1.00 0.00 O ATOM 190 CB SER A 10 -10.187 -10.674 -0.974 1.00 0.00 C ATOM 191 OG SER A 10 -9.809 -11.775 -0.166 1.00 0.00 O ATOM 0 H SER A 10 -10.233 -9.729 1.304 1.00 0.00 H new ATOM 0 HA SER A 10 -8.335 -9.616 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.255 -10.486 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.014 -10.913 -2.023 1.00 0.00 H new ATOM 0 HG SER A 10 -10.327 -12.565 -0.427 1.00 0.00 H new ATOM 197 N GLU A 11 -10.906 -7.626 -1.242 1.00 0.00 N ATOM 198 CA GLU A 11 -11.378 -6.509 -2.053 1.00 0.00 C ATOM 199 C GLU A 11 -10.448 -5.307 -1.923 1.00 0.00 C ATOM 200 O GLU A 11 -10.152 -4.628 -2.908 1.00 0.00 O ATOM 201 CB GLU A 11 -12.799 -6.115 -1.645 1.00 0.00 C ATOM 202 CG GLU A 11 -13.499 -5.229 -2.662 1.00 0.00 C ATOM 203 CD GLU A 11 -14.131 -6.022 -3.789 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.510 -7.189 -3.554 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.248 -5.477 -4.907 1.00 0.00 O ATOM 0 H GLU A 11 -11.511 -7.860 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.383 -6.830 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.389 -7.019 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.763 -5.596 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.268 -4.643 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.781 -4.522 -3.078 1.00 0.00 H new ATOM 212 N GLN A 12 -9.989 -5.046 -0.702 1.00 0.00 N ATOM 213 CA GLN A 12 -9.094 -3.923 -0.452 1.00 0.00 C ATOM 214 C GLN A 12 -7.747 -4.147 -1.128 1.00 0.00 C ATOM 215 O GLN A 12 -7.222 -3.255 -1.795 1.00 0.00 O ATOM 216 CB GLN A 12 -8.895 -3.719 1.052 1.00 0.00 C ATOM 217 CG GLN A 12 -10.067 -3.033 1.733 1.00 0.00 C ATOM 218 CD GLN A 12 -9.998 -3.126 3.245 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.342 -4.011 3.794 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.678 -2.211 3.926 1.00 0.00 N ATOM 0 H GLN A 12 -10.221 -5.595 0.126 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.551 -3.027 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.728 -4.688 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.994 -3.127 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.091 -1.984 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.998 -3.483 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.208 -1.495 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.670 -2.224 4.946 1.00 0.00 H new ATOM 229 N LEU A 13 -7.196 -5.344 -0.962 1.00 0.00 N ATOM 230 CA LEU A 13 -5.914 -5.678 -1.569 1.00 0.00 C ATOM 231 C LEU A 13 -6.028 -5.667 -3.087 1.00 0.00 C ATOM 232 O LEU A 13 -5.102 -5.259 -3.784 1.00 0.00 O ATOM 233 CB LEU A 13 -5.433 -7.055 -1.097 1.00 0.00 C ATOM 234 CG LEU A 13 -4.629 -7.081 0.212 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.670 -8.260 0.212 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.861 -5.783 0.424 1.00 0.00 C ATOM 0 H LEU A 13 -7.615 -6.096 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.187 -4.927 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.304 -7.699 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.819 -7.492 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.336 -7.189 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.105 -8.269 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.234 -9.188 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.982 -8.169 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.304 -5.838 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.167 -5.632 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.561 -4.949 0.467 1.00 0.00 H new ATOM 248 N ALA A 14 -7.173 -6.113 -3.591 1.00 0.00 N ATOM 249 CA ALA A 14 -7.410 -6.147 -5.028 1.00 0.00 C ATOM 250 C ALA A 14 -7.349 -4.742 -5.611 1.00 0.00 C ATOM 251 O ALA A 14 -6.690 -4.504 -6.624 1.00 0.00 O ATOM 252 CB ALA A 14 -8.755 -6.791 -5.329 1.00 0.00 C ATOM 0 H ALA A 14 -7.950 -6.455 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.628 -6.747 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.917 -6.809 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.765 -7.811 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.549 -6.216 -4.852 1.00 0.00 H new ATOM 258 N ARG A 15 -8.033 -3.810 -4.956 1.00 0.00 N ATOM 259 CA ARG A 15 -8.050 -2.422 -5.401 1.00 0.00 C ATOM 260 C ARG A 15 -6.656 -1.812 -5.295 1.00 0.00 C ATOM 261 O ARG A 15 -6.160 -1.194 -6.238 1.00 0.00 O ATOM 262 CB ARG A 15 -9.042 -1.608 -4.569 1.00 0.00 C ATOM 263 CG ARG A 15 -9.282 -0.207 -5.105 1.00 0.00 C ATOM 264 CD ARG A 15 -10.215 -0.223 -6.305 1.00 0.00 C ATOM 265 NE ARG A 15 -11.050 0.975 -6.365 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.023 1.156 -7.255 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.288 0.221 -8.159 1.00 0.00 N ATOM 268 NH2 ARG A 15 -12.734 2.275 -7.240 1.00 0.00 N ATOM 0 H ARG A 15 -8.582 -3.991 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.364 -2.399 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.992 -2.140 -4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.673 -1.538 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.709 0.416 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.331 0.244 -5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.628 -0.302 -7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.851 -1.107 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.877 1.716 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.745 -0.642 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.035 0.366 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.535 2.996 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.480 2.415 -7.922 1.00 0.00 H new ATOM 282 N LEU A 16 -6.025 -1.999 -4.139 1.00 0.00 N ATOM 283 CA LEU A 16 -4.685 -1.477 -3.906 1.00 0.00 C ATOM 284 C LEU A 16 -3.700 -2.056 -4.916 1.00 0.00 C ATOM 285 O LEU A 16 -2.840 -1.345 -5.438 1.00 0.00 O ATOM 286 CB LEU A 16 -4.230 -1.799 -2.482 1.00 0.00 C ATOM 287 CG LEU A 16 -5.027 -1.105 -1.375 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.146 -2.006 -0.153 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.377 0.220 -1.004 1.00 0.00 C ATOM 0 H LEU A 16 -6.422 -2.509 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.712 -0.394 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.292 -2.877 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.180 -1.523 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.031 -0.904 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.716 -1.494 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.657 -2.928 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.151 -2.241 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.956 0.701 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.361 0.041 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.347 0.869 -1.880 1.00 0.00 H new ATOM 301 N LYS A 17 -3.838 -3.348 -5.197 1.00 0.00 N ATOM 302 CA LYS A 17 -2.968 -4.018 -6.155 1.00 0.00 C ATOM 303 C LYS A 17 -3.146 -3.411 -7.540 1.00 0.00 C ATOM 304 O LYS A 17 -2.181 -3.233 -8.283 1.00 0.00 O ATOM 305 CB LYS A 17 -3.266 -5.519 -6.196 1.00 0.00 C ATOM 306 CG LYS A 17 -2.249 -6.362 -5.441 1.00 0.00 C ATOM 307 CD LYS A 17 -1.583 -7.383 -6.351 1.00 0.00 C ATOM 308 CE LYS A 17 -1.404 -8.722 -5.652 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.689 -9.866 -6.562 1.00 0.00 N ATOM 0 H LYS A 17 -4.544 -3.951 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.935 -3.879 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.256 -5.696 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.297 -5.847 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.490 -5.713 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.742 -6.876 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.185 -7.518 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.612 -7.007 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.384 -8.802 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.066 -8.772 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.556 -10.760 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.670 -9.804 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.040 -9.834 -7.374 1.00 0.00 H new ATOM 323 N ARG A 18 -4.391 -3.087 -7.877 1.00 0.00 N ATOM 324 CA ARG A 18 -4.702 -2.490 -9.169 1.00 0.00 C ATOM 325 C ARG A 18 -3.982 -1.156 -9.322 1.00 0.00 C ATOM 326 O ARG A 18 -3.380 -0.878 -10.359 1.00 0.00 O ATOM 327 CB ARG A 18 -6.212 -2.290 -9.314 1.00 0.00 C ATOM 328 CG ARG A 18 -6.932 -3.501 -9.883 1.00 0.00 C ATOM 329 CD ARG A 18 -8.400 -3.517 -9.486 1.00 0.00 C ATOM 330 NE ARG A 18 -9.268 -3.104 -10.586 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.393 -3.779 -11.727 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.713 -4.903 -11.919 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.201 -3.331 -12.677 1.00 0.00 N ATOM 0 H ARG A 18 -5.200 -3.228 -7.272 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.361 -3.166 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.634 -2.052 -8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.396 -1.431 -9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.848 -3.497 -10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.449 -4.412 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.677 -4.520 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.553 -2.854 -8.635 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.811 -2.248 -10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.091 -5.254 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.813 -5.416 -12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.727 -2.469 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.297 -3.848 -13.551 1.00 0.00 H new ATOM 347 N GLU A 19 -4.040 -0.339 -8.275 1.00 0.00 N ATOM 348 CA GLU A 19 -3.384 0.963 -8.287 1.00 0.00 C ATOM 349 C GLU A 19 -1.871 0.797 -8.365 1.00 0.00 C ATOM 350 O GLU A 19 -1.186 1.551 -9.058 1.00 0.00 O ATOM 351 CB GLU A 19 -3.758 1.760 -7.035 1.00 0.00 C ATOM 352 CG GLU A 19 -5.244 2.060 -6.924 1.00 0.00 C ATOM 353 CD GLU A 19 -5.745 2.946 -8.048 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.533 4.175 -7.974 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.350 2.412 -9.001 1.00 0.00 O ATOM 0 H GLU A 19 -4.534 -0.555 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.723 1.509 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.442 1.204 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.205 2.700 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.801 1.123 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.443 2.545 -5.968 1.00 0.00 H new ATOM 362 N PHE A 20 -1.356 -0.198 -7.650 1.00 0.00 N ATOM 363 CA PHE A 20 0.076 -0.470 -7.636 1.00 0.00 C ATOM 364 C PHE A 20 0.558 -0.906 -9.016 1.00 0.00 C ATOM 365 O PHE A 20 1.670 -0.578 -9.428 1.00 0.00 O ATOM 366 CB PHE A 20 0.403 -1.549 -6.602 1.00 0.00 C ATOM 367 CG PHE A 20 1.867 -1.874 -6.514 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.695 -1.173 -5.652 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.415 -2.879 -7.295 1.00 0.00 C ATOM 370 CE1 PHE A 20 4.042 -1.469 -5.570 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.761 -3.179 -7.217 1.00 0.00 C ATOM 372 CZ PHE A 20 4.576 -2.474 -6.354 1.00 0.00 C ATOM 0 H PHE A 20 -1.910 -0.830 -7.072 1.00 0.00 H new ATOM 0 HA PHE A 20 0.593 0.450 -7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.053 -1.221 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.148 -2.456 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.283 -0.386 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.783 -3.434 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.677 -0.916 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.176 -3.965 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.629 -2.707 -6.292 1.00 0.00 H new ATOM 382 N ASN A 21 -0.288 -1.645 -9.727 1.00 0.00 N ATOM 383 CA ASN A 21 0.053 -2.122 -11.062 1.00 0.00 C ATOM 384 C ASN A 21 0.270 -0.949 -12.012 1.00 0.00 C ATOM 385 O ASN A 21 1.074 -1.029 -12.940 1.00 0.00 O ATOM 386 CB ASN A 21 -1.051 -3.035 -11.599 1.00 0.00 C ATOM 387 CG ASN A 21 -0.790 -4.497 -11.292 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.011 -4.826 -10.416 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.466 -5.384 -12.013 1.00 0.00 N ATOM 0 H ASN A 21 -1.213 -1.926 -9.401 1.00 0.00 H new ATOM 0 HA ASN A 21 0.980 -2.692 -10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.006 -2.740 -11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.136 -2.902 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.331 -6.382 -11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.120 -5.067 -12.729 1.00 0.00 H new ATOM 396 N GLU A 22 -0.448 0.143 -11.767 1.00 0.00 N ATOM 397 CA GLU A 22 -0.329 1.338 -12.593 1.00 0.00 C ATOM 398 C GLU A 22 0.860 2.181 -12.145 1.00 0.00 C ATOM 399 O GLU A 22 1.528 2.817 -12.960 1.00 0.00 O ATOM 400 CB GLU A 22 -1.613 2.166 -12.519 1.00 0.00 C ATOM 401 CG GLU A 22 -2.851 1.413 -12.980 1.00 0.00 C ATOM 402 CD GLU A 22 -3.934 2.337 -13.502 1.00 0.00 C ATOM 403 OE1 GLU A 22 -3.620 3.201 -14.348 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.095 2.198 -13.064 1.00 0.00 O ATOM 0 H GLU A 22 -1.118 0.224 -11.003 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.169 1.027 -13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.762 2.499 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.494 3.061 -13.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.572 0.707 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.246 0.828 -12.149 1.00 0.00 H new ATOM 411 N ASN A 23 1.118 2.177 -10.841 1.00 0.00 N ATOM 412 CA ASN A 23 2.227 2.936 -10.275 1.00 0.00 C ATOM 413 C ASN A 23 2.593 2.406 -8.893 1.00 0.00 C ATOM 414 O ASN A 23 1.736 2.279 -8.020 1.00 0.00 O ATOM 415 CB ASN A 23 1.867 4.420 -10.187 1.00 0.00 C ATOM 416 CG ASN A 23 3.092 5.313 -10.200 1.00 0.00 C ATOM 417 OD1 ASN A 23 4.207 4.853 -10.445 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.890 6.599 -9.934 1.00 0.00 N ATOM 0 H ASN A 23 0.572 1.655 -10.155 1.00 0.00 H new ATOM 0 HA ASN A 23 3.089 2.820 -10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.219 4.684 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.299 4.600 -9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.677 7.248 -9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.948 6.937 -9.736 1.00 0.00 H new ATOM 425 N ARG A 24 3.871 2.094 -8.703 1.00 0.00 N ATOM 426 CA ARG A 24 4.355 1.572 -7.427 1.00 0.00 C ATOM 427 C ARG A 24 4.409 2.657 -6.348 1.00 0.00 C ATOM 428 O ARG A 24 4.776 2.382 -5.206 1.00 0.00 O ATOM 429 CB ARG A 24 5.741 0.950 -7.605 1.00 0.00 C ATOM 430 CG ARG A 24 5.821 -0.044 -8.752 1.00 0.00 C ATOM 431 CD ARG A 24 7.257 -0.456 -9.032 1.00 0.00 C ATOM 432 NE ARG A 24 7.471 -0.776 -10.441 1.00 0.00 N ATOM 433 CZ ARG A 24 8.667 -0.787 -11.027 1.00 0.00 C ATOM 434 NH1 ARG A 24 9.759 -0.497 -10.329 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.772 -1.088 -12.313 1.00 0.00 N ATOM 0 H ARG A 24 4.592 2.193 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 24 3.649 0.810 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.468 1.745 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.026 0.448 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.228 -0.927 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.386 0.398 -9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.929 0.350 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.511 -1.322 -8.421 1.00 0.00 H new ATOM 0 HE ARG A 24 6.656 -1.005 -11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.684 -0.264 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.672 -0.507 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.937 -1.311 -12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.688 -1.096 -12.762 1.00 0.00 H new ATOM 449 N TYR A 25 4.047 3.887 -6.709 1.00 0.00 N ATOM 450 CA TYR A 25 4.064 4.995 -5.760 1.00 0.00 C ATOM 451 C TYR A 25 2.646 5.393 -5.367 1.00 0.00 C ATOM 452 O TYR A 25 1.676 4.753 -5.774 1.00 0.00 O ATOM 453 CB TYR A 25 4.798 6.198 -6.359 1.00 0.00 C ATOM 454 CG TYR A 25 6.035 5.826 -7.148 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.953 4.912 -6.647 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.283 6.390 -8.393 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.084 4.570 -7.365 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.411 6.053 -9.117 1.00 0.00 C ATOM 459 CZ TYR A 25 8.308 5.143 -8.599 1.00 0.00 C ATOM 460 OH TYR A 25 9.432 4.804 -9.317 1.00 0.00 O ATOM 0 H TYR A 25 3.740 4.139 -7.648 1.00 0.00 H new ATOM 0 HA TYR A 25 4.592 4.667 -4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.114 6.743 -7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.082 6.877 -5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.781 4.461 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.583 7.104 -8.802 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.788 3.858 -6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.589 6.500 -10.084 1.00 0.00 H new ATOM 0 HH TYR A 25 9.439 5.295 -10.165 1.00 0.00 H new ATOM 470 N LEU A 26 2.531 6.451 -4.571 1.00 0.00 N ATOM 471 CA LEU A 26 1.228 6.930 -4.124 1.00 0.00 C ATOM 472 C LEU A 26 1.241 8.439 -3.911 1.00 0.00 C ATOM 473 O LEU A 26 2.157 8.981 -3.292 1.00 0.00 O ATOM 474 CB LEU A 26 0.823 6.237 -2.817 1.00 0.00 C ATOM 475 CG LEU A 26 -0.177 5.081 -2.941 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.796 4.785 -1.586 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.276 5.394 -3.944 1.00 0.00 C ATOM 0 H LEU A 26 3.322 6.992 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 26 0.503 6.692 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.725 5.858 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.398 6.987 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 26 0.369 4.208 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.505 3.963 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.012 4.508 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.315 5.671 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.965 4.551 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.818 6.284 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.834 5.572 -4.924 1.00 0.00 H new ATOM 489 N THR A 27 0.210 9.107 -4.411 1.00 0.00 N ATOM 490 CA THR A 27 0.091 10.551 -4.261 1.00 0.00 C ATOM 491 C THR A 27 -0.743 10.880 -3.030 1.00 0.00 C ATOM 492 O THR A 27 -1.479 10.032 -2.527 1.00 0.00 O ATOM 493 CB THR A 27 -0.553 11.172 -5.503 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.962 11.018 -5.465 1.00 0.00 O ATOM 495 CG2 THR A 27 -0.059 10.574 -6.804 1.00 0.00 C ATOM 0 H THR A 27 -0.556 8.672 -4.924 1.00 0.00 H new ATOM 0 HA THR A 27 1.091 10.968 -4.141 1.00 0.00 H new ATOM 0 HB THR A 27 -0.267 12.224 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.357 11.422 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.558 11.062 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.018 10.722 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.281 9.507 -6.821 1.00 0.00 H new ATOM 503 N GLU A 28 -0.637 12.114 -2.551 1.00 0.00 N ATOM 504 CA GLU A 28 -1.400 12.539 -1.383 1.00 0.00 C ATOM 505 C GLU A 28 -2.886 12.274 -1.597 1.00 0.00 C ATOM 506 O GLU A 28 -3.555 11.682 -0.749 1.00 0.00 O ATOM 507 CB GLU A 28 -1.168 14.027 -1.109 1.00 0.00 C ATOM 508 CG GLU A 28 -1.108 14.373 0.370 1.00 0.00 C ATOM 509 CD GLU A 28 -2.441 14.851 0.913 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.732 16.060 0.794 1.00 0.00 O ATOM 511 OE2 GLU A 28 -3.194 14.016 1.458 1.00 0.00 O ATOM 0 H GLU A 28 -0.034 12.834 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.061 11.965 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.236 14.334 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.967 14.602 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.785 13.496 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.357 15.147 0.528 1.00 0.00 H new ATOM 518 N ARG A 29 -3.390 12.716 -2.743 1.00 0.00 N ATOM 519 CA ARG A 29 -4.793 12.533 -3.090 1.00 0.00 C ATOM 520 C ARG A 29 -5.172 11.054 -3.123 1.00 0.00 C ATOM 521 O ARG A 29 -6.256 10.678 -2.678 1.00 0.00 O ATOM 522 CB ARG A 29 -5.090 13.177 -4.446 1.00 0.00 C ATOM 523 CG ARG A 29 -6.303 14.093 -4.431 1.00 0.00 C ATOM 524 CD ARG A 29 -7.519 13.422 -5.049 1.00 0.00 C ATOM 525 NE ARG A 29 -8.729 14.223 -4.886 1.00 0.00 N ATOM 526 CZ ARG A 29 -9.029 15.277 -5.642 1.00 0.00 C ATOM 527 NH1 ARG A 29 -8.211 15.659 -6.615 1.00 0.00 N ATOM 528 NH2 ARG A 29 -10.150 15.951 -5.425 1.00 0.00 N ATOM 0 H ARG A 29 -2.844 13.206 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.392 13.019 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.218 13.747 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.247 12.392 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.529 14.382 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.075 15.008 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.338 13.251 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.667 12.445 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.383 13.959 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.347 15.144 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.446 16.467 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.783 15.662 -4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.380 16.759 -6.004 1.00 0.00 H new ATOM 542 N ARG A 30 -4.284 10.218 -3.660 1.00 0.00 N ATOM 543 CA ARG A 30 -4.546 8.787 -3.759 1.00 0.00 C ATOM 544 C ARG A 30 -4.591 8.138 -2.382 1.00 0.00 C ATOM 545 O ARG A 30 -5.454 7.304 -2.106 1.00 0.00 O ATOM 546 CB ARG A 30 -3.480 8.110 -4.621 1.00 0.00 C ATOM 547 CG ARG A 30 -3.617 8.417 -6.104 1.00 0.00 C ATOM 548 CD ARG A 30 -3.191 7.237 -6.962 1.00 0.00 C ATOM 549 NE ARG A 30 -3.906 7.205 -8.236 1.00 0.00 N ATOM 550 CZ ARG A 30 -3.398 6.712 -9.365 1.00 0.00 C ATOM 551 NH1 ARG A 30 -2.177 6.191 -9.384 1.00 0.00 N ATOM 552 NH2 ARG A 30 -4.118 6.735 -10.478 1.00 0.00 N ATOM 0 H ARG A 30 -3.380 10.508 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.521 8.658 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.494 8.427 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.536 7.031 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.652 8.676 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.010 9.287 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.119 7.292 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.373 6.309 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.853 7.584 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.620 6.166 -8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.796 5.816 -10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.059 7.129 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.731 6.358 -11.343 1.00 0.00 H new ATOM 566 N ARG A 31 -3.660 8.523 -1.519 1.00 0.00 N ATOM 567 CA ARG A 31 -3.602 7.974 -0.172 1.00 0.00 C ATOM 568 C ARG A 31 -4.899 8.255 0.583 1.00 0.00 C ATOM 569 O ARG A 31 -5.519 7.347 1.141 1.00 0.00 O ATOM 570 CB ARG A 31 -2.416 8.568 0.591 1.00 0.00 C ATOM 571 CG ARG A 31 -1.816 7.623 1.619 1.00 0.00 C ATOM 572 CD ARG A 31 -0.465 8.120 2.112 1.00 0.00 C ATOM 573 NE ARG A 31 -0.471 8.385 3.550 1.00 0.00 N ATOM 574 CZ ARG A 31 -0.134 9.552 4.100 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.239 10.577 3.342 1.00 0.00 N ATOM 576 NH2 ARG A 31 -0.170 9.695 5.418 1.00 0.00 N ATOM 0 H ARG A 31 -2.937 9.211 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.472 6.895 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.643 8.853 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.738 9.480 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.498 7.522 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.702 6.632 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.300 7.378 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.196 9.031 1.577 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.751 7.628 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.270 10.476 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.494 11.465 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.455 8.913 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.087 10.587 5.841 1.00 0.00 H new ATOM 590 N GLN A 32 -5.302 9.522 0.595 1.00 0.00 N ATOM 591 CA GLN A 32 -6.521 9.935 1.282 1.00 0.00 C ATOM 592 C GLN A 32 -7.766 9.370 0.602 1.00 0.00 C ATOM 593 O GLN A 32 -8.738 9.016 1.268 1.00 0.00 O ATOM 594 CB GLN A 32 -6.606 11.462 1.336 1.00 0.00 C ATOM 595 CG GLN A 32 -7.736 11.979 2.212 1.00 0.00 C ATOM 596 CD GLN A 32 -8.669 12.917 1.471 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.361 14.093 1.278 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.817 12.400 1.050 1.00 0.00 N ATOM 0 H GLN A 32 -4.801 10.282 0.135 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.480 9.538 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.660 11.857 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.737 11.846 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.307 11.134 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.314 12.498 3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.032 11.420 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.484 12.983 0.545 1.00 0.00 H new ATOM 607 N GLN A 33 -7.735 9.290 -0.726 1.00 0.00 N ATOM 608 CA GLN A 33 -8.871 8.768 -1.480 1.00 0.00 C ATOM 609 C GLN A 33 -9.073 7.285 -1.198 1.00 0.00 C ATOM 610 O GLN A 33 -10.193 6.836 -0.962 1.00 0.00 O ATOM 611 CB GLN A 33 -8.670 8.988 -2.981 1.00 0.00 C ATOM 612 CG GLN A 33 -9.419 10.194 -3.524 1.00 0.00 C ATOM 613 CD GLN A 33 -10.873 9.888 -3.825 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.181 9.044 -4.667 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.777 10.575 -3.137 1.00 0.00 N ATOM 0 H GLN A 33 -6.941 9.578 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.761 9.309 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.606 9.110 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.996 8.097 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.365 11.007 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.929 10.543 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.477 11.265 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.771 10.413 -3.297 1.00 0.00 H new ATOM 624 N LEU A 34 -7.982 6.528 -1.225 1.00 0.00 N ATOM 625 CA LEU A 34 -8.045 5.095 -0.972 1.00 0.00 C ATOM 626 C LEU A 34 -8.530 4.814 0.446 1.00 0.00 C ATOM 627 O LEU A 34 -9.366 3.937 0.663 1.00 0.00 O ATOM 628 CB LEU A 34 -6.674 4.455 -1.197 1.00 0.00 C ATOM 629 CG LEU A 34 -6.407 3.989 -2.629 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.933 4.142 -2.978 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.855 2.546 -2.811 1.00 0.00 C ATOM 0 H LEU A 34 -7.046 6.883 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.758 4.658 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.904 5.173 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.574 3.600 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.984 4.617 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.764 3.805 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.645 5.189 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.333 3.541 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.658 2.230 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.306 1.905 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.923 2.468 -2.606 1.00 0.00 H new ATOM 643 N SER A 35 -8.004 5.565 1.409 1.00 0.00 N ATOM 644 CA SER A 35 -8.392 5.395 2.804 1.00 0.00 C ATOM 645 C SER A 35 -9.884 5.651 2.985 1.00 0.00 C ATOM 646 O SER A 35 -10.586 4.874 3.628 1.00 0.00 O ATOM 647 CB SER A 35 -7.590 6.341 3.700 1.00 0.00 C ATOM 648 OG SER A 35 -7.198 7.504 2.991 1.00 0.00 O ATOM 0 H SER A 35 -7.310 6.295 1.249 1.00 0.00 H new ATOM 0 HA SER A 35 -8.177 4.366 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.190 6.623 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.707 5.827 4.079 1.00 0.00 H new ATOM 0 HG SER A 35 -6.364 7.327 2.508 1.00 0.00 H new ATOM 654 N SER A 36 -10.356 6.754 2.418 1.00 0.00 N ATOM 655 CA SER A 36 -11.764 7.128 2.515 1.00 0.00 C ATOM 656 C SER A 36 -12.655 6.196 1.693 1.00 0.00 C ATOM 657 O SER A 36 -13.779 5.887 2.089 1.00 0.00 O ATOM 658 CB SER A 36 -11.959 8.572 2.050 1.00 0.00 C ATOM 659 OG SER A 36 -13.317 8.964 2.155 1.00 0.00 O ATOM 0 H SER A 36 -9.784 7.408 1.884 1.00 0.00 H new ATOM 0 HA SER A 36 -12.057 7.038 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.338 9.237 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.627 8.672 1.017 1.00 0.00 H new ATOM 0 HG SER A 36 -13.414 9.891 1.853 1.00 0.00 H new ATOM 665 N GLU A 37 -12.153 5.770 0.538 1.00 0.00 N ATOM 666 CA GLU A 37 -12.910 4.896 -0.356 1.00 0.00 C ATOM 667 C GLU A 37 -13.165 3.521 0.260 1.00 0.00 C ATOM 668 O GLU A 37 -14.311 3.082 0.358 1.00 0.00 O ATOM 669 CB GLU A 37 -12.171 4.735 -1.686 1.00 0.00 C ATOM 670 CG GLU A 37 -13.035 4.159 -2.796 1.00 0.00 C ATOM 671 CD GLU A 37 -14.145 5.101 -3.219 1.00 0.00 C ATOM 672 OE1 GLU A 37 -15.087 5.303 -2.424 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.073 5.635 -4.345 1.00 0.00 O ATOM 0 H GLU A 37 -11.223 6.016 0.197 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.878 5.368 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.790 5.707 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.307 4.087 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.408 3.931 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.470 3.218 -2.461 1.00 0.00 H new ATOM 680 N LEU A 38 -12.097 2.838 0.658 1.00 0.00 N ATOM 681 CA LEU A 38 -12.221 1.506 1.244 1.00 0.00 C ATOM 682 C LEU A 38 -12.496 1.581 2.741 1.00 0.00 C ATOM 683 O LEU A 38 -13.200 0.738 3.295 1.00 0.00 O ATOM 684 CB LEU A 38 -10.947 0.697 0.991 1.00 0.00 C ATOM 685 CG LEU A 38 -10.542 0.565 -0.478 1.00 0.00 C ATOM 686 CD1 LEU A 38 -9.066 0.219 -0.596 1.00 0.00 C ATOM 687 CD2 LEU A 38 -11.396 -0.484 -1.173 1.00 0.00 C ATOM 0 H LEU A 38 -11.139 3.182 0.587 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.066 1.010 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.126 1.161 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.081 -0.302 1.406 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.708 1.524 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.796 0.129 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.470 1.006 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.872 -0.727 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.095 -0.565 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.261 -1.447 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.445 -0.193 -1.120 1.00 0.00 H new ATOM 699 N GLY A 39 -11.936 2.592 3.391 1.00 0.00 N ATOM 700 CA GLY A 39 -12.132 2.755 4.819 1.00 0.00 C ATOM 701 C GLY A 39 -10.942 2.273 5.624 1.00 0.00 C ATOM 702 O GLY A 39 -11.102 1.574 6.624 1.00 0.00 O ATOM 0 H GLY A 39 -11.349 3.303 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.315 3.807 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.022 2.205 5.126 1.00 0.00 H new ATOM 706 N LEU A 40 -9.744 2.646 5.184 1.00 0.00 N ATOM 707 CA LEU A 40 -8.520 2.247 5.869 1.00 0.00 C ATOM 708 C LEU A 40 -7.697 3.467 6.265 1.00 0.00 C ATOM 709 O LEU A 40 -7.971 4.583 5.823 1.00 0.00 O ATOM 710 CB LEU A 40 -7.688 1.325 4.975 1.00 0.00 C ATOM 711 CG LEU A 40 -8.262 -0.080 4.780 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.962 -0.589 3.378 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.706 -1.034 5.829 1.00 0.00 C ATOM 0 H LEU A 40 -9.595 3.224 4.357 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.799 1.709 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.578 1.795 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.688 1.237 5.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.344 -0.031 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.378 -1.589 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.410 0.081 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.883 -0.624 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.125 -2.028 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.621 -1.080 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.974 -0.677 6.824 1.00 0.00 H new ATOM 725 N ASN A 41 -6.688 3.248 7.101 1.00 0.00 N ATOM 726 CA ASN A 41 -5.825 4.331 7.557 1.00 0.00 C ATOM 727 C ASN A 41 -4.770 4.666 6.506 1.00 0.00 C ATOM 728 O ASN A 41 -4.114 3.776 5.960 1.00 0.00 O ATOM 729 CB ASN A 41 -5.152 3.952 8.879 1.00 0.00 C ATOM 730 CG ASN A 41 -5.443 4.947 9.984 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.546 4.983 10.529 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.451 5.763 10.322 1.00 0.00 N ATOM 0 H ASN A 41 -6.448 2.331 7.476 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.443 5.215 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.492 2.963 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.074 3.886 8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.588 6.454 11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.552 5.699 9.844 1.00 0.00 H new ATOM 739 N GLU A 42 -4.611 5.957 6.229 1.00 0.00 N ATOM 740 CA GLU A 42 -3.635 6.417 5.246 1.00 0.00 C ATOM 741 C GLU A 42 -2.255 5.837 5.538 1.00 0.00 C ATOM 742 O GLU A 42 -1.495 5.523 4.621 1.00 0.00 O ATOM 743 CB GLU A 42 -3.570 7.946 5.241 1.00 0.00 C ATOM 744 CG GLU A 42 -4.793 8.606 4.624 1.00 0.00 C ATOM 745 CD GLU A 42 -4.797 10.111 4.806 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.255 10.817 3.930 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.343 10.584 5.825 1.00 0.00 O ATOM 0 H GLU A 42 -5.146 6.704 6.672 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.953 6.070 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.455 8.300 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.682 8.262 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.830 8.372 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.693 8.187 5.074 1.00 0.00 H new ATOM 754 N ALA A 43 -1.940 5.694 6.821 1.00 0.00 N ATOM 755 CA ALA A 43 -0.654 5.149 7.237 1.00 0.00 C ATOM 756 C ALA A 43 -0.509 3.695 6.799 1.00 0.00 C ATOM 757 O ALA A 43 0.576 3.257 6.414 1.00 0.00 O ATOM 758 CB ALA A 43 -0.494 5.265 8.746 1.00 0.00 C ATOM 0 H ALA A 43 -2.559 5.948 7.591 1.00 0.00 H new ATOM 0 HA ALA A 43 0.133 5.729 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.471 4.854 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.547 6.314 9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.292 4.710 9.240 1.00 0.00 H new ATOM 764 N GLN A 44 -1.610 2.952 6.855 1.00 0.00 N ATOM 765 CA GLN A 44 -1.598 1.549 6.461 1.00 0.00 C ATOM 766 C GLN A 44 -1.411 1.420 4.956 1.00 0.00 C ATOM 767 O GLN A 44 -0.656 0.570 4.484 1.00 0.00 O ATOM 768 CB GLN A 44 -2.897 0.861 6.886 1.00 0.00 C ATOM 769 CG GLN A 44 -3.292 1.139 8.328 1.00 0.00 C ATOM 770 CD GLN A 44 -3.601 -0.127 9.103 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.360 -0.981 8.644 1.00 0.00 O ATOM 772 NE2 GLN A 44 -3.014 -0.254 10.288 1.00 0.00 N ATOM 0 H GLN A 44 -2.518 3.297 7.168 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.762 1.061 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.703 1.187 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.790 -0.215 6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.484 1.677 8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.165 1.791 8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.392 0.478 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.185 -1.084 10.856 1.00 0.00 H new ATOM 781 N ILE A 45 -2.095 2.277 4.205 1.00 0.00 N ATOM 782 CA ILE A 45 -1.988 2.261 2.753 1.00 0.00 C ATOM 783 C ILE A 45 -0.576 2.634 2.316 1.00 0.00 C ATOM 784 O ILE A 45 0.007 1.990 1.444 1.00 0.00 O ATOM 785 CB ILE A 45 -2.994 3.229 2.101 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.405 2.971 2.633 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.959 3.090 0.585 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.165 4.235 2.966 1.00 0.00 C ATOM 0 H ILE A 45 -2.726 2.987 4.577 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.217 1.248 2.423 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.711 4.249 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.967 2.404 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.340 2.350 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.675 3.780 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.958 3.321 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.219 2.069 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.157 3.976 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.625 4.793 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.262 4.848 2.070 1.00 0.00 H new ATOM 800 N LYS A 46 -0.030 3.679 2.933 1.00 0.00 N ATOM 801 CA LYS A 46 1.317 4.138 2.613 1.00 0.00 C ATOM 802 C LYS A 46 2.338 3.029 2.844 1.00 0.00 C ATOM 803 O LYS A 46 3.204 2.785 2.004 1.00 0.00 O ATOM 804 CB LYS A 46 1.677 5.362 3.455 1.00 0.00 C ATOM 805 CG LYS A 46 3.000 5.999 3.065 1.00 0.00 C ATOM 806 CD LYS A 46 2.808 7.082 2.016 1.00 0.00 C ATOM 807 CE LYS A 46 4.137 7.678 1.580 1.00 0.00 C ATOM 808 NZ LYS A 46 4.774 8.475 2.667 1.00 0.00 N ATOM 0 H LYS A 46 -0.500 4.223 3.657 1.00 0.00 H new ATOM 0 HA LYS A 46 1.338 4.414 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.884 6.104 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.718 5.071 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.474 6.427 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.674 5.234 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.294 6.664 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.169 7.869 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.811 6.877 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.981 8.313 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.625 8.947 2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.103 9.191 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.039 7.844 3.450 1.00 0.00 H new ATOM 822 N ILE A 47 2.228 2.355 3.986 1.00 0.00 N ATOM 823 CA ILE A 47 3.142 1.268 4.317 1.00 0.00 C ATOM 824 C ILE A 47 2.946 0.093 3.367 1.00 0.00 C ATOM 825 O ILE A 47 3.907 -0.573 2.979 1.00 0.00 O ATOM 826 CB ILE A 47 2.947 0.788 5.771 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.168 1.945 6.746 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.894 -0.363 6.091 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.564 1.709 8.113 1.00 0.00 C ATOM 0 H ILE A 47 1.518 2.542 4.694 1.00 0.00 H new ATOM 0 HA ILE A 47 4.156 1.655 4.212 1.00 0.00 H new ATOM 0 HB ILE A 47 1.923 0.429 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.239 2.117 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.741 2.854 6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.740 -0.686 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.696 -1.196 5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.925 -0.032 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.760 2.571 8.751 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.488 1.567 8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.009 0.819 8.558 1.00 0.00 H new ATOM 841 N TRP A 48 1.696 -0.155 2.993 1.00 0.00 N ATOM 842 CA TRP A 48 1.376 -1.248 2.085 1.00 0.00 C ATOM 843 C TRP A 48 2.074 -1.054 0.744 1.00 0.00 C ATOM 844 O TRP A 48 2.631 -1.996 0.180 1.00 0.00 O ATOM 845 CB TRP A 48 -0.136 -1.345 1.875 1.00 0.00 C ATOM 846 CG TRP A 48 -0.536 -2.490 0.998 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.822 -3.765 1.396 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.688 -2.469 -0.426 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.143 -4.537 0.307 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.069 -3.766 -0.823 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.542 -1.480 -1.406 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.304 -4.099 -2.154 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.775 -1.813 -2.726 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.152 -3.112 -3.089 1.00 0.00 C ATOM 0 H TRP A 48 0.889 0.386 3.304 1.00 0.00 H new ATOM 0 HA TRP A 48 1.730 -2.176 2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.625 -1.449 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.496 -0.415 1.435 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.799 -4.115 2.418 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.396 -5.525 0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.253 -0.475 -1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.595 -5.099 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.665 -1.059 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.327 -3.340 -4.130 1.00 0.00 H new ATOM 865 N PHE A 49 2.046 0.176 0.242 1.00 0.00 N ATOM 866 CA PHE A 49 2.682 0.497 -1.029 1.00 0.00 C ATOM 867 C PHE A 49 4.199 0.411 -0.903 1.00 0.00 C ATOM 868 O PHE A 49 4.877 -0.118 -1.784 1.00 0.00 O ATOM 869 CB PHE A 49 2.269 1.895 -1.493 1.00 0.00 C ATOM 870 CG PHE A 49 1.265 1.881 -2.611 1.00 0.00 C ATOM 871 CD1 PHE A 49 1.681 1.820 -3.930 1.00 0.00 C ATOM 872 CD2 PHE A 49 -0.093 1.928 -2.341 1.00 0.00 C ATOM 873 CE1 PHE A 49 0.761 1.805 -4.961 1.00 0.00 C ATOM 874 CE2 PHE A 49 -1.018 1.914 -3.368 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.591 1.852 -4.679 1.00 0.00 C ATOM 0 H PHE A 49 1.589 0.967 0.697 1.00 0.00 H new ATOM 0 HA PHE A 49 2.353 -0.229 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.852 2.442 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.156 2.439 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.737 1.784 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.433 1.976 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.098 1.757 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.074 1.952 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.312 1.840 -5.483 1.00 0.00 H new ATOM 885 N GLN A 50 4.725 0.930 0.202 1.00 0.00 N ATOM 886 CA GLN A 50 6.161 0.906 0.449 1.00 0.00 C ATOM 887 C GLN A 50 6.660 -0.530 0.562 1.00 0.00 C ATOM 888 O GLN A 50 7.738 -0.865 0.071 1.00 0.00 O ATOM 889 CB GLN A 50 6.494 1.678 1.728 1.00 0.00 C ATOM 890 CG GLN A 50 7.982 1.917 1.925 1.00 0.00 C ATOM 891 CD GLN A 50 8.303 2.504 3.286 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.997 1.886 4.093 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.797 3.704 3.547 1.00 0.00 N ATOM 0 H GLN A 50 4.178 1.372 0.940 1.00 0.00 H new ATOM 0 HA GLN A 50 6.662 1.385 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.980 2.639 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.106 1.128 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.517 0.975 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.344 2.591 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.227 4.180 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.979 4.149 4.446 1.00 0.00 H new ATOM 902 N ASN A 51 5.862 -1.375 1.207 1.00 0.00 N ATOM 903 CA ASN A 51 6.215 -2.779 1.381 1.00 0.00 C ATOM 904 C ASN A 51 6.111 -3.524 0.055 1.00 0.00 C ATOM 905 O ASN A 51 6.927 -4.394 -0.247 1.00 0.00 O ATOM 906 CB ASN A 51 5.304 -3.430 2.425 1.00 0.00 C ATOM 907 CG ASN A 51 6.053 -3.827 3.682 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.203 -5.011 3.981 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.529 -2.835 4.425 1.00 0.00 N ATOM 0 H ASN A 51 4.966 -1.112 1.618 1.00 0.00 H new ATOM 0 HA ASN A 51 7.246 -2.835 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.503 -2.738 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.833 -4.313 1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.043 -3.041 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.381 -1.867 4.139 1.00 0.00 H new ATOM 916 N LYS A 52 5.101 -3.172 -0.734 1.00 0.00 N ATOM 917 CA LYS A 52 4.886 -3.801 -2.031 1.00 0.00 C ATOM 918 C LYS A 52 6.017 -3.453 -2.994 1.00 0.00 C ATOM 919 O LYS A 52 6.414 -4.270 -3.824 1.00 0.00 O ATOM 920 CB LYS A 52 3.542 -3.358 -2.615 1.00 0.00 C ATOM 921 CG LYS A 52 2.595 -4.511 -2.901 1.00 0.00 C ATOM 922 CD LYS A 52 2.053 -5.117 -1.617 1.00 0.00 C ATOM 923 CE LYS A 52 1.179 -6.326 -1.900 1.00 0.00 C ATOM 924 NZ LYS A 52 0.729 -6.993 -0.647 1.00 0.00 N ATOM 0 H LYS A 52 4.418 -2.453 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 52 4.874 -4.882 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.063 -2.669 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.720 -2.807 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.767 -4.159 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.116 -5.277 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.882 -5.409 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.476 -4.368 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.309 -6.017 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.732 -7.039 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.068 -7.761 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.553 -7.385 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.252 -6.299 -0.036 1.00 0.00 H new ATOM 938 N ARG A 53 6.531 -2.233 -2.874 1.00 0.00 N ATOM 939 CA ARG A 53 7.618 -1.771 -3.729 1.00 0.00 C ATOM 940 C ARG A 53 8.916 -2.505 -3.403 1.00 0.00 C ATOM 941 O ARG A 53 9.743 -2.745 -4.282 1.00 0.00 O ATOM 942 CB ARG A 53 7.814 -0.262 -3.562 1.00 0.00 C ATOM 943 CG ARG A 53 8.018 0.477 -4.875 1.00 0.00 C ATOM 944 CD ARG A 53 9.256 1.359 -4.835 1.00 0.00 C ATOM 945 NE ARG A 53 9.117 2.457 -3.880 1.00 0.00 N ATOM 946 CZ ARG A 53 10.088 3.323 -3.599 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.269 3.223 -4.198 1.00 0.00 N ATOM 948 NH2 ARG A 53 9.879 4.291 -2.718 1.00 0.00 N ATOM 0 H ARG A 53 6.211 -1.546 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 53 7.353 -1.985 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.945 0.154 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.676 -0.086 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.110 -0.243 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.142 1.089 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.123 0.755 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.444 1.765 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 53 8.223 2.566 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.435 2.480 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.010 3.889 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.974 4.373 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.623 4.954 -2.503 1.00 0.00 H new