USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 18 GLN : amide:sc= -0.0775 K(o=-0.077,f=-1.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -120:sc= -0.218 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.011 F(o=-0.69,f=-0.011) USER MOD Single : A 29 ASN : amide:sc= -3.25! X(o=-3.3!,f=-3.4) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -49:sc= 0.186 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.588 (180deg=-1.89!) USER MOD Single : A 46 MET CE :methyl -176:sc= 0 (180deg=-0.01) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00619) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.719 4.733 2.209 1.00 0.00 N ATOM 175 CA ARG A 14 -7.598 3.290 2.380 1.00 0.00 C ATOM 176 C ARG A 14 -8.289 2.834 3.662 1.00 0.00 C ATOM 177 O ARG A 14 -8.659 3.651 4.504 1.00 0.00 O ATOM 178 CB ARG A 14 -6.124 2.880 2.409 1.00 0.00 C ATOM 179 CG ARG A 14 -5.327 3.391 1.220 1.00 0.00 C ATOM 180 CD ARG A 14 -5.424 2.442 0.036 1.00 0.00 C ATOM 181 NE ARG A 14 -5.255 3.137 -1.237 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.352 2.539 -2.420 1.00 0.00 C ATOM 183 NH1 ARG A 14 -5.615 1.242 -2.490 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.185 3.240 -3.534 1.00 0.00 N ATOM 0 HA ARG A 14 -8.086 2.807 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.670 3.252 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.059 1.792 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.695 4.375 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.282 3.512 1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.664 1.667 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.392 1.942 0.050 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.051 4.136 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.743 0.701 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.689 0.785 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.982 4.238 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.260 2.781 -4.442 1.00 0.00 H new ATOM 198 N ALA A 15 -8.462 1.523 3.801 1.00 0.00 N ATOM 199 CA ALA A 15 -9.107 0.959 4.979 1.00 0.00 C ATOM 200 C ALA A 15 -8.175 0.994 6.186 1.00 0.00 C ATOM 201 O ALA A 15 -6.952 0.931 6.058 1.00 0.00 O ATOM 202 CB ALA A 15 -9.559 -0.467 4.701 1.00 0.00 C ATOM 0 H ALA A 15 -8.164 0.833 3.112 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.981 1.568 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.039 -0.876 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.267 -0.469 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.695 -1.079 4.441 1.00 0.00 H new ATOM 208 N PRO A 16 -8.763 1.098 7.386 1.00 0.00 N ATOM 209 CA PRO A 16 -8.003 1.145 8.639 1.00 0.00 C ATOM 210 C PRO A 16 -7.346 -0.191 8.968 1.00 0.00 C ATOM 211 O PRO A 16 -6.439 -0.259 9.798 1.00 0.00 O ATOM 212 CB PRO A 16 -9.065 1.491 9.686 1.00 0.00 C ATOM 213 CG PRO A 16 -10.346 1.002 9.101 1.00 0.00 C ATOM 214 CD PRO A 16 -10.216 1.178 7.614 1.00 0.00 C ATOM 0 HA PRO A 16 -7.183 1.861 8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.854 1.006 10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.100 2.564 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.518 -0.044 9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.193 1.568 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.752 0.401 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.622 2.135 7.286 1.00 0.00 H new ATOM 222 N GLU A 17 -7.809 -1.251 8.313 1.00 0.00 N ATOM 223 CA GLU A 17 -7.265 -2.585 8.537 1.00 0.00 C ATOM 224 C GLU A 17 -6.118 -2.874 7.573 1.00 0.00 C ATOM 225 O GLU A 17 -5.137 -3.523 7.936 1.00 0.00 O ATOM 226 CB GLU A 17 -8.360 -3.641 8.375 1.00 0.00 C ATOM 227 CG GLU A 17 -9.137 -3.912 9.653 1.00 0.00 C ATOM 228 CD GLU A 17 -10.278 -4.889 9.445 1.00 0.00 C ATOM 229 OE1 GLU A 17 -10.885 -4.868 8.353 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.564 -5.674 10.372 1.00 0.00 O ATOM 0 H GLU A 17 -8.559 -1.212 7.623 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.880 -2.625 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.054 -3.317 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.908 -4.571 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.459 -4.307 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.533 -2.973 10.039 1.00 0.00 H new ATOM 237 N GLN A 18 -6.250 -2.389 6.343 1.00 0.00 N ATOM 238 CA GLN A 18 -5.226 -2.596 5.326 1.00 0.00 C ATOM 239 C GLN A 18 -3.969 -1.795 5.648 1.00 0.00 C ATOM 240 O GLN A 18 -2.868 -2.345 5.711 1.00 0.00 O ATOM 241 CB GLN A 18 -5.758 -2.200 3.948 1.00 0.00 C ATOM 242 CG GLN A 18 -7.015 -2.953 3.541 1.00 0.00 C ATOM 243 CD GLN A 18 -7.588 -2.464 2.225 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.745 -2.050 2.155 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.778 -2.510 1.173 1.00 0.00 N ATOM 0 H GLN A 18 -7.056 -1.850 6.026 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.968 -3.655 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.968 -1.130 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.982 -2.377 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.787 -4.016 3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.767 -2.846 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.826 -2.861 1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.108 -2.194 0.261 1.00 0.00 H new ATOM 254 N LEU A 19 -4.139 -0.493 5.852 1.00 0.00 N ATOM 255 CA LEU A 19 -3.017 0.384 6.167 1.00 0.00 C ATOM 256 C LEU A 19 -2.189 -0.182 7.316 1.00 0.00 C ATOM 257 O LEU A 19 -0.964 -0.266 7.229 1.00 0.00 O ATOM 258 CB LEU A 19 -3.524 1.782 6.529 1.00 0.00 C ATOM 259 CG LEU A 19 -3.912 2.680 5.354 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.576 3.954 5.853 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.691 3.009 4.508 1.00 0.00 C ATOM 0 H LEU A 19 -5.042 -0.022 5.805 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.381 0.451 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.391 1.675 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.751 2.288 7.108 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.626 2.142 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.845 4.581 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.474 3.700 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.885 4.496 6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.986 3.649 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.953 3.527 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.258 2.087 4.120 1.00 0.00 H new ATOM 273 N ARG A 20 -2.866 -0.571 8.391 1.00 0.00 N ATOM 274 CA ARG A 20 -2.193 -1.131 9.557 1.00 0.00 C ATOM 275 C ARG A 20 -1.064 -2.067 9.136 1.00 0.00 C ATOM 276 O ARG A 20 0.028 -2.032 9.702 1.00 0.00 O ATOM 277 CB ARG A 20 -3.192 -1.884 10.437 1.00 0.00 C ATOM 278 CG ARG A 20 -2.543 -2.649 11.579 1.00 0.00 C ATOM 279 CD ARG A 20 -3.582 -3.198 12.543 1.00 0.00 C ATOM 280 NE ARG A 20 -2.975 -3.707 13.770 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.672 -4.228 14.774 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.994 -4.308 14.697 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.048 -4.670 15.858 1.00 0.00 N ATOM 0 H ARG A 20 -3.880 -0.509 8.479 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.765 -0.307 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.909 -1.173 10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.755 -2.582 9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.948 -3.469 11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.858 -1.992 12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.297 -2.413 12.791 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.141 -3.997 12.057 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.960 -3.660 13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.478 -3.969 13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.527 -4.708 15.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.032 -4.610 15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.584 -5.070 16.628 1.00 0.00 H new ATOM 297 N ALA A 21 -1.336 -2.903 8.139 1.00 0.00 N ATOM 298 CA ALA A 21 -0.344 -3.847 7.641 1.00 0.00 C ATOM 299 C ALA A 21 0.679 -3.149 6.750 1.00 0.00 C ATOM 300 O ALA A 21 1.881 -3.395 6.858 1.00 0.00 O ATOM 301 CB ALA A 21 -1.024 -4.977 6.883 1.00 0.00 C ATOM 0 H ALA A 21 -2.236 -2.945 7.660 1.00 0.00 H new ATOM 0 HA ALA A 21 0.185 -4.266 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.271 -5.674 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.710 -5.501 7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.579 -4.567 6.039 1.00 0.00 H new ATOM 307 N LEU A 22 0.194 -2.280 5.871 1.00 0.00 N ATOM 308 CA LEU A 22 1.067 -1.547 4.960 1.00 0.00 C ATOM 309 C LEU A 22 1.975 -0.591 5.727 1.00 0.00 C ATOM 310 O LEU A 22 3.194 -0.757 5.742 1.00 0.00 O ATOM 311 CB LEU A 22 0.233 -0.769 3.940 1.00 0.00 C ATOM 312 CG LEU A 22 -0.685 -1.603 3.047 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.712 -0.717 2.360 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.129 -2.375 2.018 1.00 0.00 C ATOM 0 H LEU A 22 -0.798 -2.065 5.769 1.00 0.00 H new ATOM 0 HA LEU A 22 1.692 -2.269 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.378 -0.044 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.912 -0.203 3.302 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.216 -2.320 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.356 -1.329 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.317 -0.210 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.200 0.024 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.541 -2.963 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.687 -1.675 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.825 -3.040 2.529 1.00 0.00 H new ATOM 326 N GLU A 23 1.371 0.408 6.363 1.00 0.00 N ATOM 327 CA GLU A 23 2.127 1.389 7.134 1.00 0.00 C ATOM 328 C GLU A 23 3.272 0.722 7.891 1.00 0.00 C ATOM 329 O GLU A 23 4.421 1.153 7.804 1.00 0.00 O ATOM 330 CB GLU A 23 1.207 2.117 8.116 1.00 0.00 C ATOM 331 CG GLU A 23 0.364 3.204 7.470 1.00 0.00 C ATOM 332 CD GLU A 23 -0.187 4.192 8.479 1.00 0.00 C ATOM 333 OE1 GLU A 23 0.466 4.399 9.523 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.271 4.758 8.225 1.00 0.00 O ATOM 0 H GLU A 23 0.362 0.559 6.360 1.00 0.00 H new ATOM 0 HA GLU A 23 2.549 2.113 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.547 1.390 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.812 2.560 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.967 3.738 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.463 2.744 6.929 1.00 0.00 H new ATOM 341 N SER A 24 2.948 -0.332 8.633 1.00 0.00 N ATOM 342 CA SER A 24 3.947 -1.056 9.409 1.00 0.00 C ATOM 343 C SER A 24 5.091 -1.527 8.517 1.00 0.00 C ATOM 344 O SER A 24 6.262 -1.423 8.883 1.00 0.00 O ATOM 345 CB SER A 24 3.307 -2.255 10.112 1.00 0.00 C ATOM 346 OG SER A 24 4.107 -2.698 11.194 1.00 0.00 O ATOM 0 H SER A 24 2.001 -0.703 8.713 1.00 0.00 H new ATOM 0 HA SER A 24 4.350 -0.376 10.160 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.317 -1.981 10.476 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.171 -3.068 9.399 1.00 0.00 H new ATOM 0 HG SER A 24 3.676 -3.464 11.628 1.00 0.00 H new ATOM 352 N SER A 25 4.743 -2.046 7.344 1.00 0.00 N ATOM 353 CA SER A 25 5.740 -2.538 6.399 1.00 0.00 C ATOM 354 C SER A 25 6.557 -1.385 5.823 1.00 0.00 C ATOM 355 O SER A 25 7.769 -1.499 5.639 1.00 0.00 O ATOM 356 CB SER A 25 5.062 -3.313 5.268 1.00 0.00 C ATOM 357 OG SER A 25 6.017 -3.806 4.344 1.00 0.00 O ATOM 0 H SER A 25 3.778 -2.137 7.025 1.00 0.00 H new ATOM 0 HA SER A 25 6.414 -3.206 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.491 -4.143 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.353 -2.665 4.752 1.00 0.00 H new ATOM 0 HG SER A 25 5.834 -3.435 3.456 1.00 0.00 H new ATOM 363 N PHE A 26 5.884 -0.275 5.540 1.00 0.00 N ATOM 364 CA PHE A 26 6.545 0.900 4.984 1.00 0.00 C ATOM 365 C PHE A 26 7.759 1.289 5.823 1.00 0.00 C ATOM 366 O PHE A 26 8.839 1.545 5.291 1.00 0.00 O ATOM 367 CB PHE A 26 5.567 2.074 4.906 1.00 0.00 C ATOM 368 CG PHE A 26 6.110 3.258 4.158 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.617 3.112 2.877 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.114 4.517 4.737 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.118 4.200 2.187 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.614 5.608 4.052 1.00 0.00 C ATOM 373 CZ PHE A 26 7.115 5.450 2.775 1.00 0.00 C ATOM 0 H PHE A 26 4.881 -0.164 5.687 1.00 0.00 H new ATOM 0 HA PHE A 26 6.884 0.653 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.648 1.740 4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.302 2.383 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.621 2.137 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.722 4.647 5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.511 4.073 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.613 6.584 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.504 6.302 2.237 1.00 0.00 H new ATOM 383 N ALA A 27 7.572 1.332 7.138 1.00 0.00 N ATOM 384 CA ALA A 27 8.650 1.688 8.051 1.00 0.00 C ATOM 385 C ALA A 27 9.938 0.953 7.695 1.00 0.00 C ATOM 386 O ALA A 27 10.984 1.572 7.505 1.00 0.00 O ATOM 387 CB ALA A 27 8.248 1.386 9.487 1.00 0.00 C ATOM 0 H ALA A 27 6.684 1.125 7.594 1.00 0.00 H new ATOM 0 HA ALA A 27 8.835 2.758 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.063 1.657 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.359 1.962 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.033 0.322 9.589 1.00 0.00 H new ATOM 393 N GLN A 28 9.852 -0.371 7.606 1.00 0.00 N ATOM 394 CA GLN A 28 11.012 -1.190 7.273 1.00 0.00 C ATOM 395 C GLN A 28 11.589 -0.792 5.919 1.00 0.00 C ATOM 396 O GLN A 28 12.771 -0.471 5.807 1.00 0.00 O ATOM 397 CB GLN A 28 10.630 -2.671 7.263 1.00 0.00 C ATOM 398 CG GLN A 28 10.279 -3.218 8.638 1.00 0.00 C ATOM 399 CD GLN A 28 11.505 -3.591 9.448 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.185 -2.587 9.988 1.00 0.00 O flip ATOM 401 NE2 GLN A 28 11.837 -4.769 9.587 1.00 0.00 N flip ATOM 0 H GLN A 28 8.993 -0.898 7.760 1.00 0.00 H new ATOM 0 HA GLN A 28 11.774 -1.023 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.780 -2.814 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.458 -3.249 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.700 -2.473 9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.643 -4.096 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.285 -5.509 9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.664 -5.004 10.135 1.00 0.00 H new ATOM 410 N ASN A 29 10.746 -0.816 4.892 1.00 0.00 N ATOM 411 CA ASN A 29 11.173 -0.459 3.544 1.00 0.00 C ATOM 412 C ASN A 29 10.013 0.124 2.743 1.00 0.00 C ATOM 413 O ASN A 29 8.867 -0.314 2.853 1.00 0.00 O ATOM 414 CB ASN A 29 11.739 -1.684 2.824 1.00 0.00 C ATOM 415 CG ASN A 29 11.084 -2.975 3.277 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.327 -3.452 4.385 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.247 -3.546 2.418 1.00 0.00 N ATOM 0 H ASN A 29 9.763 -1.079 4.967 1.00 0.00 H new ATOM 0 HA ASN A 29 11.953 0.298 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.600 -1.567 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.813 -1.743 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.776 -4.416 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.076 -3.115 1.510 1.00 0.00 H new ATOM 424 N PRO A 30 10.315 1.136 1.916 1.00 0.00 N ATOM 425 CA PRO A 30 9.311 1.801 1.078 1.00 0.00 C ATOM 426 C PRO A 30 8.808 0.903 -0.046 1.00 0.00 C ATOM 427 O PRO A 30 7.601 0.761 -0.249 1.00 0.00 O ATOM 428 CB PRO A 30 10.067 3.003 0.506 1.00 0.00 C ATOM 429 CG PRO A 30 11.500 2.595 0.529 1.00 0.00 C ATOM 430 CD PRO A 30 11.659 1.710 1.734 1.00 0.00 C ATOM 0 HA PRO A 30 8.420 2.071 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.737 3.233 -0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.900 3.898 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.769 2.064 -0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.153 3.466 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.408 0.935 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.976 2.277 2.610 1.00 0.00 H new ATOM 438 N LEU A 31 9.739 0.297 -0.775 1.00 0.00 N ATOM 439 CA LEU A 31 9.390 -0.589 -1.880 1.00 0.00 C ATOM 440 C LEU A 31 9.771 -2.031 -1.563 1.00 0.00 C ATOM 441 O LEU A 31 10.832 -2.519 -1.952 1.00 0.00 O ATOM 442 CB LEU A 31 10.088 -0.135 -3.164 1.00 0.00 C ATOM 443 CG LEU A 31 9.556 1.150 -3.798 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.190 1.374 -5.162 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.040 1.100 -3.915 1.00 0.00 C ATOM 0 H LEU A 31 10.742 0.403 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 31 8.311 -0.541 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.148 0.001 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.012 -0.937 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 31 9.823 1.987 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.799 2.293 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.271 1.456 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.954 0.534 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.679 2.023 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.751 0.253 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.602 0.988 -2.923 1.00 0.00 H new ATOM 457 N PRO A 32 8.884 -2.733 -0.841 1.00 0.00 N ATOM 458 CA PRO A 32 9.104 -4.131 -0.458 1.00 0.00 C ATOM 459 C PRO A 32 9.030 -5.077 -1.651 1.00 0.00 C ATOM 460 O PRO A 32 8.322 -4.812 -2.624 1.00 0.00 O ATOM 461 CB PRO A 32 7.963 -4.414 0.521 1.00 0.00 C ATOM 462 CG PRO A 32 6.891 -3.450 0.144 1.00 0.00 C ATOM 463 CD PRO A 32 7.598 -2.216 -0.344 1.00 0.00 C ATOM 0 HA PRO A 32 10.096 -4.286 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.616 -5.444 0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.282 -4.268 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.249 -3.865 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.253 -3.222 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.035 -1.715 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.739 -1.491 0.457 1.00 0.00 H new ATOM 471 N LEU A 33 9.763 -6.182 -1.571 1.00 0.00 N ATOM 472 CA LEU A 33 9.780 -7.169 -2.645 1.00 0.00 C ATOM 473 C LEU A 33 8.528 -8.040 -2.603 1.00 0.00 C ATOM 474 O LEU A 33 7.642 -7.832 -1.774 1.00 0.00 O ATOM 475 CB LEU A 33 11.029 -8.046 -2.539 1.00 0.00 C ATOM 476 CG LEU A 33 12.360 -7.358 -2.842 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.525 -8.268 -2.486 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.428 -6.949 -4.306 1.00 0.00 C ATOM 0 H LEU A 33 10.354 -6.417 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 33 9.798 -6.636 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.076 -8.456 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.915 -8.889 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 33 12.429 -6.458 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.464 -7.761 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.486 -8.510 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.461 -9.186 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.382 -6.461 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.336 -7.834 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.614 -6.259 -4.529 1.00 0.00 H new ATOM 490 N ASP A 34 8.463 -9.017 -3.501 1.00 0.00 N ATOM 491 CA ASP A 34 7.322 -9.922 -3.565 1.00 0.00 C ATOM 492 C ASP A 34 7.109 -10.624 -2.228 1.00 0.00 C ATOM 493 O ASP A 34 6.002 -10.635 -1.691 1.00 0.00 O ATOM 494 CB ASP A 34 7.527 -10.958 -4.672 1.00 0.00 C ATOM 495 CG ASP A 34 8.985 -11.325 -4.859 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.450 -12.271 -4.189 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.663 -10.666 -5.675 1.00 0.00 O ATOM 0 H ASP A 34 9.187 -9.202 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 34 6.434 -9.332 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.957 -11.856 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.131 -10.567 -5.609 1.00 0.00 H new ATOM 502 N GLU A 35 8.178 -11.210 -1.696 1.00 0.00 N ATOM 503 CA GLU A 35 8.106 -11.915 -0.422 1.00 0.00 C ATOM 504 C GLU A 35 7.356 -11.088 0.618 1.00 0.00 C ATOM 505 O GLU A 35 6.262 -11.455 1.046 1.00 0.00 O ATOM 506 CB GLU A 35 9.513 -12.239 0.087 1.00 0.00 C ATOM 507 CG GLU A 35 10.354 -13.024 -0.906 1.00 0.00 C ATOM 508 CD GLU A 35 11.789 -13.196 -0.448 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.042 -14.097 0.379 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.657 -12.431 -0.915 1.00 0.00 O ATOM 0 H GLU A 35 9.102 -11.210 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 35 7.561 -12.845 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.026 -11.308 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.433 -12.809 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.906 -14.006 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.343 -12.514 -1.869 1.00 0.00 H new ATOM 517 N GLU A 36 7.953 -9.970 1.019 1.00 0.00 N ATOM 518 CA GLU A 36 7.341 -9.091 2.008 1.00 0.00 C ATOM 519 C GLU A 36 5.925 -8.704 1.592 1.00 0.00 C ATOM 520 O GLU A 36 5.056 -8.481 2.436 1.00 0.00 O ATOM 521 CB GLU A 36 8.190 -7.832 2.199 1.00 0.00 C ATOM 522 CG GLU A 36 7.486 -6.736 2.982 1.00 0.00 C ATOM 523 CD GLU A 36 7.164 -7.150 4.405 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.032 -6.972 5.285 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.045 -7.652 4.637 1.00 0.00 O ATOM 0 H GLU A 36 8.859 -9.652 0.674 1.00 0.00 H new ATOM 0 HA GLU A 36 7.288 -9.632 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.112 -8.100 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.474 -7.443 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.115 -5.846 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.563 -6.464 2.469 1.00 0.00 H new ATOM 532 N LEU A 37 5.699 -8.627 0.285 1.00 0.00 N ATOM 533 CA LEU A 37 4.389 -8.267 -0.245 1.00 0.00 C ATOM 534 C LEU A 37 3.401 -9.419 -0.084 1.00 0.00 C ATOM 535 O LEU A 37 2.203 -9.201 0.096 1.00 0.00 O ATOM 536 CB LEU A 37 4.503 -7.881 -1.721 1.00 0.00 C ATOM 537 CG LEU A 37 5.035 -6.476 -2.007 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.487 -6.362 -3.455 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.976 -5.430 -1.693 1.00 0.00 C ATOM 0 H LEU A 37 6.406 -8.809 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 37 4.018 -7.412 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.154 -8.602 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.518 -7.975 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 37 5.896 -6.296 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.863 -5.356 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.279 -7.086 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.644 -6.562 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.372 -4.437 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.095 -5.607 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.700 -5.496 -0.641 1.00 0.00 H new ATOM 551 N ASP A 38 3.913 -10.643 -0.148 1.00 0.00 N ATOM 552 CA ASP A 38 3.076 -11.829 -0.006 1.00 0.00 C ATOM 553 C ASP A 38 2.392 -11.852 1.357 1.00 0.00 C ATOM 554 O ASP A 38 1.251 -12.297 1.483 1.00 0.00 O ATOM 555 CB ASP A 38 3.914 -13.095 -0.191 1.00 0.00 C ATOM 556 CG ASP A 38 3.060 -14.336 -0.355 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.347 -14.436 -1.376 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.104 -15.209 0.537 1.00 0.00 O ATOM 0 H ASP A 38 4.903 -10.840 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 38 2.307 -11.795 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.553 -12.979 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.571 -13.221 0.669 1.00 0.00 H new ATOM 563 N ARG A 39 3.097 -11.370 2.376 1.00 0.00 N ATOM 564 CA ARG A 39 2.559 -11.337 3.730 1.00 0.00 C ATOM 565 C ARG A 39 1.411 -10.337 3.834 1.00 0.00 C ATOM 566 O ARG A 39 0.285 -10.702 4.175 1.00 0.00 O ATOM 567 CB ARG A 39 3.658 -10.974 4.730 1.00 0.00 C ATOM 568 CG ARG A 39 4.481 -12.166 5.190 1.00 0.00 C ATOM 569 CD ARG A 39 5.647 -11.734 6.066 1.00 0.00 C ATOM 570 NE ARG A 39 6.425 -12.874 6.544 1.00 0.00 N ATOM 571 CZ ARG A 39 7.202 -12.834 7.620 1.00 0.00 C ATOM 572 NH1 ARG A 39 7.305 -11.716 8.326 1.00 0.00 N ATOM 573 NH2 ARG A 39 7.879 -13.913 7.991 1.00 0.00 N ATOM 0 H ARG A 39 4.042 -10.997 2.289 1.00 0.00 H new ATOM 0 HA ARG A 39 2.176 -12.330 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.322 -10.238 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.204 -10.500 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.845 -12.857 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.858 -12.706 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.295 -11.064 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.270 -11.169 6.919 1.00 0.00 H new ATOM 0 HE ARG A 39 6.368 -13.749 6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.787 -10.884 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.903 -11.688 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.803 -14.774 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.476 -13.881 8.818 1.00 0.00 H new ATOM 587 N LEU A 40 1.704 -9.076 3.540 1.00 0.00 N ATOM 588 CA LEU A 40 0.696 -8.022 3.602 1.00 0.00 C ATOM 589 C LEU A 40 -0.565 -8.430 2.847 1.00 0.00 C ATOM 590 O LEU A 40 -1.677 -8.287 3.354 1.00 0.00 O ATOM 591 CB LEU A 40 1.254 -6.722 3.020 1.00 0.00 C ATOM 592 CG LEU A 40 2.533 -6.191 3.669 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.149 -5.094 2.814 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.246 -5.678 5.072 1.00 0.00 C ATOM 0 H LEU A 40 2.631 -8.757 3.256 1.00 0.00 H new ATOM 0 HA LEU A 40 0.435 -7.863 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.446 -6.876 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.485 -5.953 3.097 1.00 0.00 H new ATOM 0 HG LEU A 40 3.248 -7.011 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.058 -4.728 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.392 -5.493 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.439 -4.274 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.167 -5.304 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.514 -4.872 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.851 -6.490 5.682 1.00 0.00 H new ATOM 606 N ARG A 41 -0.383 -8.941 1.633 1.00 0.00 N ATOM 607 CA ARG A 41 -1.506 -9.371 0.809 1.00 0.00 C ATOM 608 C ARG A 41 -2.587 -10.027 1.663 1.00 0.00 C ATOM 609 O ARG A 41 -3.771 -9.973 1.331 1.00 0.00 O ATOM 610 CB ARG A 41 -1.031 -10.346 -0.269 1.00 0.00 C ATOM 611 CG ARG A 41 -0.609 -9.667 -1.562 1.00 0.00 C ATOM 612 CD ARG A 41 -0.774 -10.593 -2.757 1.00 0.00 C ATOM 613 NE ARG A 41 -2.041 -11.319 -2.716 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.266 -12.443 -3.388 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.314 -12.967 -4.147 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.445 -13.045 -3.300 1.00 0.00 N ATOM 0 H ARG A 41 0.531 -9.067 1.199 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.931 -8.489 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.191 -10.923 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.831 -11.054 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.205 -8.767 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.432 -9.351 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.719 -10.011 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.051 -11.305 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.794 -10.943 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.406 -12.507 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.489 -13.830 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.180 -12.645 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.617 -13.908 -3.816 1.00 0.00 H new ATOM 630 N SER A 42 -2.171 -10.646 2.763 1.00 0.00 N ATOM 631 CA SER A 42 -3.103 -11.316 3.662 1.00 0.00 C ATOM 632 C SER A 42 -3.953 -10.300 4.419 1.00 0.00 C ATOM 633 O SER A 42 -5.182 -10.358 4.386 1.00 0.00 O ATOM 634 CB SER A 42 -2.342 -12.200 4.652 1.00 0.00 C ATOM 635 OG SER A 42 -1.873 -13.381 4.025 1.00 0.00 O ATOM 0 H SER A 42 -1.194 -10.697 3.053 1.00 0.00 H new ATOM 0 HA SER A 42 -3.764 -11.941 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.500 -11.646 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.993 -12.461 5.486 1.00 0.00 H new ATOM 0 HG SER A 42 -1.389 -13.928 4.678 1.00 0.00 H new ATOM 641 N GLU A 43 -3.289 -9.371 5.099 1.00 0.00 N ATOM 642 CA GLU A 43 -3.983 -8.343 5.865 1.00 0.00 C ATOM 643 C GLU A 43 -4.679 -7.351 4.938 1.00 0.00 C ATOM 644 O GLU A 43 -5.856 -7.037 5.115 1.00 0.00 O ATOM 645 CB GLU A 43 -3.002 -7.605 6.777 1.00 0.00 C ATOM 646 CG GLU A 43 -2.269 -8.516 7.747 1.00 0.00 C ATOM 647 CD GLU A 43 -1.760 -7.777 8.970 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.597 -7.261 9.741 1.00 0.00 O ATOM 649 OE2 GLU A 43 -0.527 -7.715 9.157 1.00 0.00 O ATOM 0 H GLU A 43 -2.272 -9.309 5.135 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.739 -8.832 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.271 -7.081 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.545 -6.847 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.937 -9.317 8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.429 -8.985 7.235 1.00 0.00 H new ATOM 656 N THR A 44 -3.941 -6.858 3.947 1.00 0.00 N ATOM 657 CA THR A 44 -4.484 -5.900 2.993 1.00 0.00 C ATOM 658 C THR A 44 -5.493 -6.563 2.062 1.00 0.00 C ATOM 659 O THR A 44 -6.377 -5.903 1.517 1.00 0.00 O ATOM 660 CB THR A 44 -3.369 -5.256 2.147 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.728 -6.251 1.342 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.340 -4.576 3.037 1.00 0.00 C ATOM 0 H THR A 44 -2.965 -7.107 3.785 1.00 0.00 H new ATOM 0 HA THR A 44 -4.984 -5.125 3.574 1.00 0.00 H new ATOM 0 HB THR A 44 -3.822 -4.504 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.484 -7.018 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.562 -4.128 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.826 -3.799 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.893 -5.313 3.705 1.00 0.00 H new ATOM 670 N LYS A 45 -5.356 -7.873 1.885 1.00 0.00 N ATOM 671 CA LYS A 45 -6.257 -8.627 1.022 1.00 0.00 C ATOM 672 C LYS A 45 -6.225 -8.085 -0.403 1.00 0.00 C ATOM 673 O LYS A 45 -7.228 -8.126 -1.115 1.00 0.00 O ATOM 674 CB LYS A 45 -7.686 -8.571 1.568 1.00 0.00 C ATOM 675 CG LYS A 45 -7.843 -9.230 2.928 1.00 0.00 C ATOM 676 CD LYS A 45 -7.818 -10.745 2.820 1.00 0.00 C ATOM 677 CE LYS A 45 -9.208 -11.309 2.567 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.619 -11.155 1.144 1.00 0.00 N ATOM 0 H LYS A 45 -4.629 -8.435 2.328 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.921 -9.664 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.998 -7.529 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.356 -9.056 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.042 -8.898 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.782 -8.912 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.151 -11.042 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.414 -11.170 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.226 -12.365 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.928 -10.802 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.274 -11.921 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.092 -10.238 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.778 -11.199 0.533 1.00 0.00 H new ATOM 692 N MET A 46 -5.067 -7.579 -0.814 1.00 0.00 N ATOM 693 CA MET A 46 -4.905 -7.031 -2.155 1.00 0.00 C ATOM 694 C MET A 46 -3.856 -7.814 -2.939 1.00 0.00 C ATOM 695 O MET A 46 -3.330 -8.819 -2.460 1.00 0.00 O ATOM 696 CB MET A 46 -4.509 -5.555 -2.083 1.00 0.00 C ATOM 697 CG MET A 46 -5.511 -4.693 -1.333 1.00 0.00 C ATOM 698 SD MET A 46 -5.540 -2.989 -1.923 1.00 0.00 S ATOM 699 CE MET A 46 -3.887 -2.453 -1.488 1.00 0.00 C ATOM 0 H MET A 46 -4.227 -7.537 -0.237 1.00 0.00 H new ATOM 0 HA MET A 46 -5.860 -7.118 -2.673 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.536 -5.472 -1.599 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.395 -5.168 -3.096 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.506 -5.126 -1.436 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.268 -4.701 -0.270 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.773 -1.395 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.724 -2.606 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.156 -3.032 -2.053 1.00 0.00 H new ATOM 709 N THR A 47 -3.554 -7.346 -4.146 1.00 0.00 N ATOM 710 CA THR A 47 -2.569 -8.003 -4.996 1.00 0.00 C ATOM 711 C THR A 47 -1.271 -7.206 -5.050 1.00 0.00 C ATOM 712 O THR A 47 -1.255 -6.007 -4.768 1.00 0.00 O ATOM 713 CB THR A 47 -3.101 -8.193 -6.429 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.658 -6.965 -6.912 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.157 -9.287 -6.474 1.00 0.00 C ATOM 0 H THR A 47 -3.978 -6.514 -4.557 1.00 0.00 H new ATOM 0 HA THR A 47 -2.374 -8.981 -4.556 1.00 0.00 H new ATOM 0 HB THR A 47 -2.267 -8.489 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.992 -7.094 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.518 -9.403 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.722 -10.227 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.989 -9.016 -5.824 1.00 0.00 H new ATOM 723 N ARG A 48 -0.184 -7.878 -5.414 1.00 0.00 N ATOM 724 CA ARG A 48 1.120 -7.232 -5.504 1.00 0.00 C ATOM 725 C ARG A 48 1.010 -5.882 -6.208 1.00 0.00 C ATOM 726 O ARG A 48 1.544 -4.879 -5.735 1.00 0.00 O ATOM 727 CB ARG A 48 2.108 -8.130 -6.250 1.00 0.00 C ATOM 728 CG ARG A 48 2.870 -9.082 -5.343 1.00 0.00 C ATOM 729 CD ARG A 48 1.926 -9.980 -4.559 1.00 0.00 C ATOM 730 NE ARG A 48 1.387 -11.060 -5.382 1.00 0.00 N ATOM 731 CZ ARG A 48 2.108 -12.093 -5.803 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.390 -12.186 -5.479 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.546 -13.036 -6.548 1.00 0.00 N ATOM 0 H ARG A 48 -0.180 -8.870 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 48 1.486 -7.065 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.566 -8.709 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.821 -7.504 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.544 -9.695 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.489 -8.510 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.455 -10.404 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.105 -9.383 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 48 0.403 -11.018 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.825 -11.463 -4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.942 -12.980 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.559 -12.968 -6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.101 -13.829 -6.871 1.00 0.00 H new ATOM 747 N ARG A 49 0.316 -5.867 -7.341 1.00 0.00 N ATOM 748 CA ARG A 49 0.138 -4.642 -8.112 1.00 0.00 C ATOM 749 C ARG A 49 -0.569 -3.575 -7.281 1.00 0.00 C ATOM 750 O ARG A 49 -0.100 -2.442 -7.181 1.00 0.00 O ATOM 751 CB ARG A 49 -0.663 -4.927 -9.384 1.00 0.00 C ATOM 752 CG ARG A 49 -1.997 -5.608 -9.125 1.00 0.00 C ATOM 753 CD ARG A 49 -2.442 -6.434 -10.321 1.00 0.00 C ATOM 754 NE ARG A 49 -1.904 -7.791 -10.281 1.00 0.00 N ATOM 755 CZ ARG A 49 -2.122 -8.696 -11.228 1.00 0.00 C ATOM 756 NH1 ARG A 49 -2.865 -8.391 -12.283 1.00 0.00 N ATOM 757 NH2 ARG A 49 -1.598 -9.910 -11.121 1.00 0.00 N ATOM 0 H ARG A 49 -0.132 -6.689 -7.746 1.00 0.00 H new ATOM 0 HA ARG A 49 1.124 -4.269 -8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.840 -3.989 -9.910 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.067 -5.555 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.915 -6.250 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.753 -4.856 -8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.531 -6.477 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.120 -5.944 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.329 -8.058 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.271 -7.459 -12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.031 -9.088 -13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.027 -10.149 -10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.766 -10.604 -11.849 1.00 0.00 H new ATOM 771 N GLU A 50 -1.699 -3.946 -6.688 1.00 0.00 N ATOM 772 CA GLU A 50 -2.471 -3.020 -5.868 1.00 0.00 C ATOM 773 C GLU A 50 -1.598 -2.401 -4.780 1.00 0.00 C ATOM 774 O GLU A 50 -1.552 -1.180 -4.626 1.00 0.00 O ATOM 775 CB GLU A 50 -3.663 -3.738 -5.233 1.00 0.00 C ATOM 776 CG GLU A 50 -4.779 -4.052 -6.216 1.00 0.00 C ATOM 777 CD GLU A 50 -5.558 -2.818 -6.628 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.164 -2.176 -5.744 1.00 0.00 O ATOM 779 OE2 GLU A 50 -5.561 -2.494 -7.834 1.00 0.00 O ATOM 0 H GLU A 50 -2.100 -4.881 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.839 -2.222 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.317 -4.667 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.062 -3.120 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.355 -4.522 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.461 -4.774 -5.767 1.00 0.00 H new ATOM 786 N ILE A 51 -0.908 -3.251 -4.027 1.00 0.00 N ATOM 787 CA ILE A 51 -0.037 -2.788 -2.954 1.00 0.00 C ATOM 788 C ILE A 51 1.106 -1.940 -3.501 1.00 0.00 C ATOM 789 O ILE A 51 1.263 -0.777 -3.129 1.00 0.00 O ATOM 790 CB ILE A 51 0.550 -3.968 -2.157 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.572 -4.861 -1.624 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.416 -3.457 -1.015 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.074 -6.114 -0.940 1.00 0.00 C ATOM 0 H ILE A 51 -0.935 -4.264 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.651 -2.180 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 51 1.175 -4.562 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.177 -4.289 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.224 -5.143 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.824 -4.303 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.233 -2.859 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.812 -2.843 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.924 -6.698 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.507 -6.708 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.555 -5.841 -0.093 1.00 0.00 H new ATOM 805 N ASP A 52 1.900 -2.529 -4.389 1.00 0.00 N ATOM 806 CA ASP A 52 3.028 -1.827 -4.990 1.00 0.00 C ATOM 807 C ASP A 52 2.659 -0.383 -5.313 1.00 0.00 C ATOM 808 O ASP A 52 3.415 0.543 -5.018 1.00 0.00 O ATOM 809 CB ASP A 52 3.484 -2.546 -6.261 1.00 0.00 C ATOM 810 CG ASP A 52 4.935 -2.260 -6.598 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.226 -1.138 -7.061 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.778 -3.160 -6.400 1.00 0.00 O ATOM 0 H ASP A 52 1.783 -3.491 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 52 3.847 -1.822 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.348 -3.620 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.853 -2.239 -7.095 1.00 0.00 H new ATOM 817 N SER A 53 1.492 -0.197 -5.922 1.00 0.00 N ATOM 818 CA SER A 53 1.024 1.134 -6.290 1.00 0.00 C ATOM 819 C SER A 53 0.945 2.040 -5.065 1.00 0.00 C ATOM 820 O SER A 53 1.475 3.151 -5.066 1.00 0.00 O ATOM 821 CB SER A 53 -0.347 1.049 -6.964 1.00 0.00 C ATOM 822 OG SER A 53 -0.706 2.288 -7.548 1.00 0.00 O ATOM 0 H SER A 53 0.853 -0.952 -6.171 1.00 0.00 H new ATOM 0 HA SER A 53 1.740 1.562 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.332 0.273 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.099 0.758 -6.230 1.00 0.00 H new ATOM 0 HG SER A 53 -1.585 2.207 -7.974 1.00 0.00 H new ATOM 828 N TRP A 54 0.281 1.556 -4.021 1.00 0.00 N ATOM 829 CA TRP A 54 0.132 2.322 -2.789 1.00 0.00 C ATOM 830 C TRP A 54 1.461 2.938 -2.367 1.00 0.00 C ATOM 831 O TRP A 54 1.546 4.138 -2.106 1.00 0.00 O ATOM 832 CB TRP A 54 -0.407 1.427 -1.671 1.00 0.00 C ATOM 833 CG TRP A 54 -0.563 2.141 -0.362 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.692 2.745 0.113 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.445 2.326 0.638 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.446 3.295 1.348 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.143 3.051 1.693 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.786 1.949 0.746 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.565 3.405 2.838 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.488 2.301 1.883 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.876 3.022 2.917 1.00 0.00 C ATOM 0 H TRP A 54 -0.162 0.638 -4.003 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.578 3.128 -2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.373 1.022 -1.973 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.266 0.580 -1.537 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.639 2.785 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.124 3.803 1.916 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.266 1.392 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.096 3.962 3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.525 2.016 1.976 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.451 3.281 3.794 1.00 0.00 H new ATOM 852 N PHE A 55 2.499 2.109 -2.301 1.00 0.00 N ATOM 853 CA PHE A 55 3.824 2.574 -1.909 1.00 0.00 C ATOM 854 C PHE A 55 4.344 3.622 -2.889 1.00 0.00 C ATOM 855 O PHE A 55 4.688 4.737 -2.496 1.00 0.00 O ATOM 856 CB PHE A 55 4.800 1.397 -1.839 1.00 0.00 C ATOM 857 CG PHE A 55 4.598 0.522 -0.635 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.077 0.908 0.607 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.929 -0.686 -0.744 1.00 0.00 C ATOM 860 CE1 PHE A 55 4.893 0.106 1.717 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.741 -1.493 0.363 1.00 0.00 C ATOM 862 CZ PHE A 55 4.225 -1.097 1.594 1.00 0.00 C ATOM 0 H PHE A 55 2.447 1.113 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 55 3.745 3.031 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.693 0.792 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.820 1.781 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.600 1.847 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.550 -1.001 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.271 0.419 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.216 -2.432 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.082 -1.727 2.460 1.00 0.00 H new ATOM 872 N SER A 56 4.400 3.255 -4.165 1.00 0.00 N ATOM 873 CA SER A 56 4.882 4.161 -5.201 1.00 0.00 C ATOM 874 C SER A 56 4.104 5.473 -5.180 1.00 0.00 C ATOM 875 O SER A 56 4.604 6.510 -5.614 1.00 0.00 O ATOM 876 CB SER A 56 4.762 3.506 -6.578 1.00 0.00 C ATOM 877 OG SER A 56 5.582 4.163 -7.529 1.00 0.00 O ATOM 0 H SER A 56 4.117 2.336 -4.506 1.00 0.00 H new ATOM 0 HA SER A 56 5.931 4.377 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.047 2.456 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.724 3.534 -6.908 1.00 0.00 H new ATOM 0 HG SER A 56 5.488 3.724 -8.400 1.00 0.00 H new ATOM 883 N GLU A 57 2.877 5.418 -4.671 1.00 0.00 N ATOM 884 CA GLU A 57 2.029 6.602 -4.595 1.00 0.00 C ATOM 885 C GLU A 57 2.063 7.206 -3.194 1.00 0.00 C ATOM 886 O GLU A 57 1.722 8.373 -3.001 1.00 0.00 O ATOM 887 CB GLU A 57 0.589 6.251 -4.975 1.00 0.00 C ATOM 888 CG GLU A 57 0.300 6.392 -6.460 1.00 0.00 C ATOM 889 CD GLU A 57 0.079 7.833 -6.877 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.909 8.440 -6.415 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.896 8.354 -7.665 1.00 0.00 O ATOM 0 H GLU A 57 2.449 4.567 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 57 2.414 7.339 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.381 5.226 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.092 6.895 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.132 5.976 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.583 5.805 -6.712 1.00 0.00 H new ATOM 898 N ARG A 58 2.476 6.402 -2.219 1.00 0.00 N ATOM 899 CA ARG A 58 2.553 6.856 -0.836 1.00 0.00 C ATOM 900 C ARG A 58 3.924 7.457 -0.536 1.00 0.00 C ATOM 901 O ARG A 58 4.039 8.646 -0.238 1.00 0.00 O ATOM 902 CB ARG A 58 2.274 5.695 0.120 1.00 0.00 C ATOM 903 CG ARG A 58 2.323 6.089 1.588 1.00 0.00 C ATOM 904 CD ARG A 58 1.070 6.843 2.004 1.00 0.00 C ATOM 905 NE ARG A 58 1.221 7.477 3.311 1.00 0.00 N ATOM 906 CZ ARG A 58 0.366 8.368 3.799 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.697 8.728 3.092 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.571 8.900 4.997 1.00 0.00 N ATOM 0 H ARG A 58 2.762 5.433 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 58 1.797 7.628 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.291 5.280 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.002 4.904 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.432 5.195 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.200 6.710 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.839 7.603 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.225 6.155 2.030 1.00 0.00 H new ATOM 0 HE ARG A 58 2.028 7.221 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.859 8.320 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.352 9.413 3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.386 8.625 5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.087 9.584 5.370 1.00 0.00 H new ATOM 922 N ARG A 59 4.959 6.627 -0.618 1.00 0.00 N ATOM 923 CA ARG A 59 6.320 7.076 -0.355 1.00 0.00 C ATOM 924 C ARG A 59 6.609 8.389 -1.077 1.00 0.00 C ATOM 925 O ARG A 59 7.430 9.190 -0.629 1.00 0.00 O ATOM 926 CB ARG A 59 7.326 6.009 -0.791 1.00 0.00 C ATOM 927 CG ARG A 59 7.604 6.010 -2.286 1.00 0.00 C ATOM 928 CD ARG A 59 8.670 4.990 -2.654 1.00 0.00 C ATOM 929 NE ARG A 59 10.018 5.537 -2.527 1.00 0.00 N ATOM 930 CZ ARG A 59 10.601 6.279 -3.461 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.958 6.562 -4.585 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.831 6.741 -3.271 1.00 0.00 N ATOM 0 H ARG A 59 4.880 5.640 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 59 6.420 7.242 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.263 6.164 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.951 5.028 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.685 5.789 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.927 7.004 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.572 4.115 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.511 4.653 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 59 10.540 5.338 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.013 6.209 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.409 7.132 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.329 6.526 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.278 7.311 -3.989 1.00 0.00 H new ATOM 946 N LYS A 60 5.930 8.603 -2.199 1.00 0.00 N ATOM 947 CA LYS A 60 6.112 9.818 -2.984 1.00 0.00 C ATOM 948 C LYS A 60 5.389 10.996 -2.339 1.00 0.00 C ATOM 949 O LYS A 60 5.837 12.139 -2.433 1.00 0.00 O ATOM 950 CB LYS A 60 5.597 9.610 -4.410 1.00 0.00 C ATOM 951 CG LYS A 60 4.128 9.232 -4.478 1.00 0.00 C ATOM 952 CD LYS A 60 3.241 10.460 -4.598 1.00 0.00 C ATOM 953 CE LYS A 60 3.040 10.861 -6.052 1.00 0.00 C ATOM 954 NZ LYS A 60 2.534 12.256 -6.177 1.00 0.00 N ATOM 0 H LYS A 60 5.248 7.950 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 60 7.178 10.042 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.755 10.525 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.187 8.829 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.959 8.576 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.854 8.670 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.274 10.258 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.688 11.289 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.984 10.768 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.336 10.176 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.410 12.492 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.621 12.339 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.218 12.913 -5.749 1.00 0.00 H new ATOM 968 N LYS A 61 4.270 10.711 -1.683 1.00 0.00 N ATOM 969 CA LYS A 61 3.486 11.746 -1.019 1.00 0.00 C ATOM 970 C LYS A 61 4.273 12.372 0.129 1.00 0.00 C ATOM 971 O LYS A 61 4.170 13.572 0.383 1.00 0.00 O ATOM 972 CB LYS A 61 2.173 11.162 -0.493 1.00 0.00 C ATOM 973 CG LYS A 61 1.039 11.209 -1.501 1.00 0.00 C ATOM 974 CD LYS A 61 -0.317 11.190 -0.817 1.00 0.00 C ATOM 975 CE LYS A 61 -0.737 12.583 -0.372 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.246 13.398 -1.510 1.00 0.00 N ATOM 0 H LYS A 61 3.885 9.771 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 61 3.263 12.523 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.339 10.127 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.875 11.708 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.128 12.110 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.118 10.359 -2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.064 10.784 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.281 10.527 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.510 12.503 0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.112 13.090 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.062 14.405 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.762 13.112 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.270 13.247 -1.615 1.00 0.00 H new