USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 766 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 177:sc= -1.49 (180deg=-1.62) USER MOD Single : A 24 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.6 (180deg=1.53) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 170:sc= -0.0216 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 81:sc= 0.254 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= 0.532 K(o=0.53,f=-2.4!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0.937) USER MOD Single : A 79 THR OG1 : rot 119:sc= 0.261 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -10.040 1.595 3.901 1.00 0.00 N ATOM 177 CA GLU A 12 -8.647 2.017 3.800 1.00 0.00 C ATOM 178 C GLU A 12 -7.906 1.698 5.097 1.00 0.00 C ATOM 179 O GLU A 12 -6.827 1.107 5.057 1.00 0.00 O ATOM 180 CB GLU A 12 -8.601 3.510 3.442 1.00 0.00 C ATOM 181 CG GLU A 12 -8.992 3.683 1.961 1.00 0.00 C ATOM 182 CD GLU A 12 -9.757 4.952 1.585 1.00 0.00 C ATOM 183 OE1 GLU A 12 -9.950 5.866 2.408 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.225 4.993 0.423 1.00 0.00 O ATOM 0 HA GLU A 12 -8.138 1.469 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.284 4.071 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.602 3.908 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.080 3.649 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.597 2.825 1.669 1.00 0.00 H new ATOM 191 N SER A 13 -8.503 2.021 6.246 1.00 0.00 N ATOM 192 CA SER A 13 -7.908 1.759 7.547 1.00 0.00 C ATOM 193 C SER A 13 -7.927 0.271 7.953 1.00 0.00 C ATOM 194 O SER A 13 -7.291 -0.077 8.951 1.00 0.00 O ATOM 195 CB SER A 13 -8.595 2.650 8.584 1.00 0.00 C ATOM 196 OG SER A 13 -8.428 4.018 8.233 1.00 0.00 O ATOM 0 H SER A 13 -9.416 2.473 6.295 1.00 0.00 H new ATOM 0 HA SER A 13 -6.848 2.005 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.656 2.407 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.173 2.465 9.572 1.00 0.00 H new ATOM 0 HG SER A 13 -8.871 4.583 8.900 1.00 0.00 H new ATOM 202 N GLU A 14 -8.596 -0.624 7.215 1.00 0.00 N ATOM 203 CA GLU A 14 -8.390 -2.062 7.332 1.00 0.00 C ATOM 204 C GLU A 14 -7.135 -2.440 6.549 1.00 0.00 C ATOM 205 O GLU A 14 -6.187 -2.980 7.117 1.00 0.00 O ATOM 206 CB GLU A 14 -9.607 -2.809 6.772 1.00 0.00 C ATOM 207 CG GLU A 14 -10.774 -2.818 7.757 1.00 0.00 C ATOM 208 CD GLU A 14 -11.943 -3.656 7.249 1.00 0.00 C ATOM 209 OE1 GLU A 14 -12.525 -3.380 6.177 1.00 0.00 O ATOM 210 OE2 GLU A 14 -12.406 -4.548 7.991 1.00 0.00 O ATOM 0 H GLU A 14 -9.296 -0.364 6.520 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.267 -2.338 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.923 -2.341 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.325 -3.835 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.436 -3.211 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.109 -1.796 7.931 1.00 0.00 H new ATOM 217 N ILE A 15 -7.121 -2.107 5.254 1.00 0.00 N ATOM 218 CA ILE A 15 -6.054 -2.430 4.310 1.00 0.00 C ATOM 219 C ILE A 15 -4.701 -1.962 4.863 1.00 0.00 C ATOM 220 O ILE A 15 -3.691 -2.642 4.681 1.00 0.00 O ATOM 221 CB ILE A 15 -6.403 -1.811 2.934 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.676 -2.463 2.338 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.239 -1.953 1.936 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.385 -1.548 1.332 1.00 0.00 C ATOM 0 H ILE A 15 -7.883 -1.585 4.821 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.968 -3.508 4.173 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.589 -0.750 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.406 -3.398 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.364 -2.714 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.521 -1.507 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.359 -1.444 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.012 -3.009 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.270 -2.051 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.681 -0.623 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.708 -1.318 0.509 1.00 0.00 H new ATOM 236 N GLN A 16 -4.688 -0.839 5.581 1.00 0.00 N ATOM 237 CA GLN A 16 -3.521 -0.279 6.233 1.00 0.00 C ATOM 238 C GLN A 16 -2.775 -1.321 7.070 1.00 0.00 C ATOM 239 O GLN A 16 -1.565 -1.514 6.921 1.00 0.00 O ATOM 240 CB GLN A 16 -3.974 0.936 7.076 1.00 0.00 C ATOM 241 CG GLN A 16 -3.026 2.126 6.933 1.00 0.00 C ATOM 242 CD GLN A 16 -2.020 2.302 8.062 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.390 2.584 9.201 1.00 0.00 O ATOM 244 NE2 GLN A 16 -0.739 2.189 7.767 1.00 0.00 N ATOM 0 H GLN A 16 -5.527 -0.278 5.726 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.805 0.051 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.977 1.234 6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.034 0.646 8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.479 2.022 5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.622 3.036 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.453 1.954 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.034 2.336 8.490 1.00 0.00 H new ATOM 253 N LYS A 17 -3.516 -1.990 7.948 1.00 0.00 N ATOM 254 CA LYS A 17 -3.013 -3.018 8.859 1.00 0.00 C ATOM 255 C LYS A 17 -2.579 -4.272 8.101 1.00 0.00 C ATOM 256 O LYS A 17 -1.553 -4.861 8.448 1.00 0.00 O ATOM 257 CB LYS A 17 -4.093 -3.364 9.907 1.00 0.00 C ATOM 258 CG LYS A 17 -3.537 -3.170 11.326 1.00 0.00 C ATOM 259 CD LYS A 17 -4.450 -3.700 12.439 1.00 0.00 C ATOM 260 CE LYS A 17 -5.757 -2.906 12.549 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.481 -3.226 13.796 1.00 0.00 N ATOM 0 H LYS A 17 -4.518 -1.827 8.050 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.134 -2.622 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.968 -2.730 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.421 -4.395 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.570 -3.669 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.360 -2.107 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.680 -4.748 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.921 -3.657 13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.539 -1.838 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.392 -3.128 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.360 -2.672 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.710 -4.240 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.884 -2.991 14.614 1.00 0.00 H new ATOM 275 N LEU A 18 -3.342 -4.672 7.077 1.00 0.00 N ATOM 276 CA LEU A 18 -3.028 -5.846 6.257 1.00 0.00 C ATOM 277 C LEU A 18 -1.702 -5.667 5.519 1.00 0.00 C ATOM 278 O LEU A 18 -0.982 -6.640 5.279 1.00 0.00 O ATOM 279 CB LEU A 18 -4.129 -6.119 5.221 1.00 0.00 C ATOM 280 CG LEU A 18 -5.541 -6.386 5.769 1.00 0.00 C ATOM 281 CD1 LEU A 18 -6.479 -6.689 4.600 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.551 -7.554 6.760 1.00 0.00 C ATOM 0 H LEU A 18 -4.195 -4.190 6.794 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.956 -6.692 6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.182 -5.264 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.828 -6.979 4.623 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.877 -5.498 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.483 -6.880 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.503 -5.836 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.120 -7.568 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.566 -7.712 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.200 -8.457 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.895 -7.325 7.599 1.00 0.00 H new ATOM 294 N LEU A 19 -1.395 -4.441 5.095 1.00 0.00 N ATOM 295 CA LEU A 19 -0.138 -4.117 4.429 1.00 0.00 C ATOM 296 C LEU A 19 1.020 -4.202 5.414 1.00 0.00 C ATOM 297 O LEU A 19 2.089 -4.682 5.049 1.00 0.00 O ATOM 298 CB LEU A 19 -0.219 -2.709 3.830 1.00 0.00 C ATOM 299 CG LEU A 19 -1.083 -2.644 2.560 1.00 0.00 C ATOM 300 CD1 LEU A 19 -1.487 -1.192 2.305 1.00 0.00 C ATOM 301 CD2 LEU A 19 -0.322 -3.196 1.348 1.00 0.00 C ATOM 0 H LEU A 19 -2.018 -3.641 5.206 1.00 0.00 H new ATOM 0 HA LEU A 19 0.035 -4.837 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.627 -2.026 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.787 -2.361 3.596 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.972 -3.257 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.100 -1.138 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.057 -0.818 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.593 -0.584 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.956 -3.138 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.581 -2.607 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.049 -4.235 1.532 1.00 0.00 H new ATOM 313 N MET A 20 0.825 -3.739 6.649 1.00 0.00 N ATOM 314 CA MET A 20 1.885 -3.742 7.648 1.00 0.00 C ATOM 315 C MET A 20 2.295 -5.165 8.000 1.00 0.00 C ATOM 316 O MET A 20 3.479 -5.483 7.922 1.00 0.00 O ATOM 317 CB MET A 20 1.453 -2.939 8.878 1.00 0.00 C ATOM 318 CG MET A 20 1.456 -1.427 8.586 1.00 0.00 C ATOM 319 SD MET A 20 2.996 -0.474 8.819 1.00 0.00 S ATOM 320 CE MET A 20 4.309 -1.487 8.084 1.00 0.00 C ATOM 0 H MET A 20 -0.061 -3.357 6.979 1.00 0.00 H new ATOM 0 HA MET A 20 2.767 -3.255 7.232 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.455 -3.250 9.187 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.125 -3.153 9.709 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.141 -1.293 7.551 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.690 -0.971 9.214 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.257 -0.951 8.140 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.391 -2.428 8.629 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.070 -1.692 7.041 1.00 0.00 H new ATOM 330 N GLU A 21 1.334 -6.035 8.314 1.00 0.00 N ATOM 331 CA GLU A 21 1.605 -7.445 8.535 1.00 0.00 C ATOM 332 C GLU A 21 2.412 -8.075 7.404 1.00 0.00 C ATOM 333 O GLU A 21 3.395 -8.778 7.670 1.00 0.00 O ATOM 334 CB GLU A 21 0.264 -8.169 8.708 1.00 0.00 C ATOM 335 CG GLU A 21 -0.064 -8.290 10.188 1.00 0.00 C ATOM 336 CD GLU A 21 0.934 -9.213 10.889 1.00 0.00 C ATOM 337 OE1 GLU A 21 0.959 -10.430 10.610 1.00 0.00 O ATOM 338 OE2 GLU A 21 1.798 -8.699 11.644 1.00 0.00 O ATOM 0 H GLU A 21 0.353 -5.778 8.420 1.00 0.00 H new ATOM 0 HA GLU A 21 2.216 -7.543 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.526 -7.621 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.312 -9.159 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.043 -7.304 10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.075 -8.679 10.311 1.00 0.00 H new ATOM 345 N ALA A 22 1.993 -7.819 6.163 1.00 0.00 N ATOM 346 CA ALA A 22 2.632 -8.375 4.988 1.00 0.00 C ATOM 347 C ALA A 22 4.068 -7.873 4.859 1.00 0.00 C ATOM 348 O ALA A 22 4.931 -8.676 4.537 1.00 0.00 O ATOM 349 CB ALA A 22 1.813 -8.037 3.745 1.00 0.00 C ATOM 0 H ALA A 22 1.197 -7.217 5.953 1.00 0.00 H new ATOM 0 HA ALA A 22 2.675 -9.459 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.298 -8.458 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.812 -8.457 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.743 -6.954 3.639 1.00 0.00 H new ATOM 355 N LEU A 23 4.350 -6.592 5.126 1.00 0.00 N ATOM 356 CA LEU A 23 5.699 -6.022 5.066 1.00 0.00 C ATOM 357 C LEU A 23 6.638 -6.815 5.976 1.00 0.00 C ATOM 358 O LEU A 23 7.700 -7.256 5.529 1.00 0.00 O ATOM 359 CB LEU A 23 5.632 -4.529 5.478 1.00 0.00 C ATOM 360 CG LEU A 23 6.992 -3.798 5.478 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.369 -3.372 4.051 1.00 0.00 C ATOM 362 CD2 LEU A 23 6.933 -2.527 6.327 1.00 0.00 C ATOM 0 H LEU A 23 3.637 -5.914 5.393 1.00 0.00 H new ATOM 0 HA LEU A 23 6.092 -6.085 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.955 -4.009 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.198 -4.461 6.476 1.00 0.00 H new ATOM 0 HG LEU A 23 7.728 -4.491 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.330 -2.858 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.440 -4.254 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.605 -2.701 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.904 -2.032 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.176 -1.855 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.677 -2.787 7.354 1.00 0.00 H new ATOM 374 N GLN A 24 6.259 -7.056 7.230 1.00 0.00 N ATOM 375 CA GLN A 24 7.101 -7.827 8.129 1.00 0.00 C ATOM 376 C GLN A 24 7.268 -9.273 7.643 1.00 0.00 C ATOM 377 O GLN A 24 8.361 -9.827 7.734 1.00 0.00 O ATOM 378 CB GLN A 24 6.484 -7.799 9.527 1.00 0.00 C ATOM 379 CG GLN A 24 6.119 -6.399 10.039 1.00 0.00 C ATOM 380 CD GLN A 24 7.251 -5.389 9.895 1.00 0.00 C ATOM 381 OE1 GLN A 24 7.102 -4.362 9.247 1.00 0.00 O ATOM 382 NE2 GLN A 24 8.397 -5.644 10.494 1.00 0.00 N ATOM 0 H GLN A 24 5.383 -6.730 7.639 1.00 0.00 H new ATOM 0 HA GLN A 24 8.095 -7.380 8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.585 -8.416 9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.183 -8.256 10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.247 -6.037 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.834 -6.467 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.511 -6.503 11.032 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.170 -4.982 10.420 1.00 0.00 H new ATOM 391 N GLN A 25 6.214 -9.874 7.089 1.00 0.00 N ATOM 392 CA GLN A 25 6.220 -11.245 6.580 1.00 0.00 C ATOM 393 C GLN A 25 6.909 -11.371 5.209 1.00 0.00 C ATOM 394 O GLN A 25 7.017 -12.477 4.674 1.00 0.00 O ATOM 395 CB GLN A 25 4.769 -11.740 6.507 1.00 0.00 C ATOM 396 CG GLN A 25 4.149 -11.886 7.910 1.00 0.00 C ATOM 397 CD GLN A 25 4.133 -13.322 8.423 1.00 0.00 C ATOM 398 OE1 GLN A 25 5.100 -14.068 8.275 1.00 0.00 O ATOM 399 NE2 GLN A 25 3.040 -13.740 9.035 1.00 0.00 N ATOM 0 H GLN A 25 5.312 -9.410 6.980 1.00 0.00 H new ATOM 0 HA GLN A 25 6.802 -11.863 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.175 -11.042 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.737 -12.700 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.706 -11.265 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.128 -11.505 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.247 -13.109 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.989 -14.694 9.393 1.00 0.00 H new ATOM 408 N LEU A 26 7.305 -10.261 4.588 1.00 0.00 N ATOM 409 CA LEU A 26 7.809 -10.207 3.224 1.00 0.00 C ATOM 410 C LEU A 26 9.257 -10.695 3.186 1.00 0.00 C ATOM 411 O LEU A 26 10.052 -10.379 4.070 1.00 0.00 O ATOM 412 CB LEU A 26 7.641 -8.759 2.735 1.00 0.00 C ATOM 413 CG LEU A 26 8.100 -8.433 1.321 1.00 0.00 C ATOM 414 CD1 LEU A 26 7.459 -9.289 0.228 1.00 0.00 C ATOM 415 CD2 LEU A 26 7.777 -6.968 1.009 1.00 0.00 C ATOM 0 H LEU A 26 7.282 -9.346 5.039 1.00 0.00 H new ATOM 0 HA LEU A 26 7.256 -10.866 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.585 -8.499 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.182 -8.108 3.422 1.00 0.00 H new ATOM 0 HG LEU A 26 9.170 -8.642 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.846 -8.986 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.696 -10.339 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.378 -9.153 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.104 -6.731 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.702 -6.807 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.295 -6.322 1.718 1.00 0.00 H new ATOM 427 N ARG A 27 9.610 -11.473 2.161 1.00 0.00 N ATOM 428 CA ARG A 27 10.993 -11.812 1.838 1.00 0.00 C ATOM 429 C ARG A 27 11.543 -10.696 0.969 1.00 0.00 C ATOM 430 O ARG A 27 11.091 -10.537 -0.166 1.00 0.00 O ATOM 431 CB ARG A 27 11.048 -13.158 1.100 1.00 0.00 C ATOM 432 CG ARG A 27 10.780 -14.333 2.053 1.00 0.00 C ATOM 433 CD ARG A 27 9.741 -15.316 1.525 1.00 0.00 C ATOM 434 NE ARG A 27 10.174 -15.982 0.284 1.00 0.00 N ATOM 435 CZ ARG A 27 10.607 -17.244 0.180 1.00 0.00 C ATOM 436 NH1 ARG A 27 10.579 -18.071 1.219 1.00 0.00 N ATOM 437 NH2 ARG A 27 11.076 -17.664 -0.986 1.00 0.00 N ATOM 0 H ARG A 27 8.931 -11.890 1.524 1.00 0.00 H new ATOM 0 HA ARG A 27 11.591 -11.911 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.311 -13.164 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.027 -13.280 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.714 -14.865 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.445 -13.943 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.538 -16.069 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.805 -14.788 1.343 1.00 0.00 H new ATOM 0 HE ARG A 27 10.141 -15.431 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.222 -17.748 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.914 -19.029 1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.102 -17.029 -1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.411 -18.622 -1.086 1.00 0.00 H new ATOM 451 N ASP A 28 12.471 -9.897 1.473 1.00 0.00 N ATOM 452 CA ASP A 28 13.045 -8.746 0.783 1.00 0.00 C ATOM 453 C ASP A 28 14.350 -8.312 1.446 1.00 0.00 C ATOM 454 O ASP A 28 14.487 -7.186 1.925 1.00 0.00 O ATOM 455 CB ASP A 28 12.072 -7.563 0.722 1.00 0.00 C ATOM 456 CG ASP A 28 11.502 -7.123 2.076 1.00 0.00 C ATOM 457 OD1 ASP A 28 11.904 -7.615 3.157 1.00 0.00 O ATOM 458 OD2 ASP A 28 10.573 -6.301 2.020 1.00 0.00 O ATOM 0 H ASP A 28 12.860 -10.035 2.406 1.00 0.00 H new ATOM 0 HA ASP A 28 13.249 -9.061 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.583 -6.715 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.244 -7.827 0.064 1.00 0.00 H new ATOM 463 N PRO A 29 15.399 -9.137 1.373 1.00 0.00 N ATOM 464 CA PRO A 29 16.648 -8.855 2.058 1.00 0.00 C ATOM 465 C PRO A 29 17.353 -7.623 1.485 1.00 0.00 C ATOM 466 O PRO A 29 18.249 -7.091 2.141 1.00 0.00 O ATOM 467 CB PRO A 29 17.476 -10.127 1.897 1.00 0.00 C ATOM 468 CG PRO A 29 16.964 -10.722 0.583 1.00 0.00 C ATOM 469 CD PRO A 29 15.492 -10.342 0.575 1.00 0.00 C ATOM 0 HA PRO A 29 16.490 -8.609 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.543 -9.908 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.327 -10.811 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.490 -10.309 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.100 -11.803 0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.137 -10.168 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.879 -11.139 0.995 1.00 0.00 H new ATOM 477 N ARG A 30 16.952 -7.135 0.304 1.00 0.00 N ATOM 478 CA ARG A 30 17.491 -5.886 -0.243 1.00 0.00 C ATOM 479 C ARG A 30 16.788 -4.646 0.296 1.00 0.00 C ATOM 480 O ARG A 30 17.356 -3.562 0.215 1.00 0.00 O ATOM 481 CB ARG A 30 17.456 -5.920 -1.784 1.00 0.00 C ATOM 482 CG ARG A 30 18.793 -5.497 -2.402 1.00 0.00 C ATOM 483 CD ARG A 30 19.857 -6.575 -2.154 1.00 0.00 C ATOM 484 NE ARG A 30 21.149 -6.236 -2.762 1.00 0.00 N ATOM 485 CZ ARG A 30 21.627 -6.722 -3.913 1.00 0.00 C ATOM 486 NH1 ARG A 30 20.871 -7.424 -4.753 1.00 0.00 N ATOM 487 NH2 ARG A 30 22.894 -6.504 -4.250 1.00 0.00 N ATOM 0 H ARG A 30 16.256 -7.587 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 30 18.527 -5.813 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.205 -6.927 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.667 -5.259 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.672 -5.335 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.117 -4.550 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.988 -6.712 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.508 -7.526 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 30 21.736 -5.569 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.893 -7.607 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.269 -7.779 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.501 -5.967 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.259 -6.874 -5.127 1.00 0.00 H new ATOM 501 N LEU A 31 15.582 -4.784 0.848 1.00 0.00 N ATOM 502 CA LEU A 31 14.885 -3.683 1.487 1.00 0.00 C ATOM 503 C LEU A 31 15.269 -3.656 2.960 1.00 0.00 C ATOM 504 O LEU A 31 15.312 -4.695 3.621 1.00 0.00 O ATOM 505 CB LEU A 31 13.364 -3.838 1.304 1.00 0.00 C ATOM 506 CG LEU A 31 12.522 -2.692 1.900 1.00 0.00 C ATOM 507 CD1 LEU A 31 12.968 -1.316 1.384 1.00 0.00 C ATOM 508 CD2 LEU A 31 11.047 -2.927 1.553 1.00 0.00 C ATOM 0 H LEU A 31 15.067 -5.664 0.861 1.00 0.00 H new ATOM 0 HA LEU A 31 15.172 -2.737 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.146 -3.914 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.051 -4.776 1.762 1.00 0.00 H new ATOM 0 HG LEU A 31 12.665 -2.691 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.346 -0.541 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.010 -1.146 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.865 -1.283 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.442 -2.122 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.927 -2.947 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.722 -3.879 1.972 1.00 0.00 H new ATOM 520 N LYS A 32 15.531 -2.461 3.476 1.00 0.00 N ATOM 521 CA LYS A 32 15.627 -2.164 4.890 1.00 0.00 C ATOM 522 C LYS A 32 14.206 -1.889 5.392 1.00 0.00 C ATOM 523 O LYS A 32 13.832 -0.720 5.498 1.00 0.00 O ATOM 524 CB LYS A 32 16.518 -0.917 5.038 1.00 0.00 C ATOM 525 CG LYS A 32 17.986 -1.119 4.638 1.00 0.00 C ATOM 526 CD LYS A 32 18.816 0.136 4.952 1.00 0.00 C ATOM 527 CE LYS A 32 20.163 0.041 4.236 1.00 0.00 C ATOM 528 NZ LYS A 32 21.128 1.077 4.660 1.00 0.00 N ATOM 0 H LYS A 32 15.688 -1.641 2.890 1.00 0.00 H new ATOM 0 HA LYS A 32 16.060 -2.982 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.099 -0.115 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.482 -0.584 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.398 -1.976 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.050 -1.345 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.282 1.030 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.968 0.226 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.594 -0.943 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.001 0.124 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.019 0.956 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.735 2.019 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.310 0.985 5.680 1.00 0.00 H new ATOM 542 N LYS A 33 13.375 -2.911 5.652 1.00 0.00 N ATOM 543 CA LYS A 33 11.998 -2.663 6.058 1.00 0.00 C ATOM 544 C LYS A 33 11.903 -1.929 7.387 1.00 0.00 C ATOM 545 O LYS A 33 10.889 -1.293 7.641 1.00 0.00 O ATOM 546 CB LYS A 33 11.234 -3.978 6.090 1.00 0.00 C ATOM 547 CG LYS A 33 11.637 -4.909 7.247 1.00 0.00 C ATOM 548 CD LYS A 33 10.800 -6.182 7.200 1.00 0.00 C ATOM 549 CE LYS A 33 11.264 -7.113 6.082 1.00 0.00 C ATOM 550 NZ LYS A 33 10.386 -8.276 5.894 1.00 0.00 N ATOM 0 H LYS A 33 13.633 -3.896 5.588 1.00 0.00 H new ATOM 0 HA LYS A 33 11.543 -2.002 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.168 -3.765 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.390 -4.500 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.696 -5.156 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.492 -4.402 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.867 -6.699 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.752 -5.925 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.317 -6.552 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.273 -7.460 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.685 -8.804 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.446 -8.895 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.405 -7.954 5.772 1.00 0.00 H new ATOM 564 N ASP A 34 12.969 -1.958 8.192 1.00 0.00 N ATOM 565 CA ASP A 34 13.035 -1.303 9.494 1.00 0.00 C ATOM 566 C ASP A 34 12.705 0.196 9.428 1.00 0.00 C ATOM 567 O ASP A 34 12.295 0.775 10.433 1.00 0.00 O ATOM 568 CB ASP A 34 14.430 -1.506 10.104 1.00 0.00 C ATOM 569 CG ASP A 34 14.443 -1.112 11.582 1.00 0.00 C ATOM 570 OD1 ASP A 34 13.709 -1.758 12.359 1.00 0.00 O ATOM 571 OD2 ASP A 34 15.167 -0.173 11.973 1.00 0.00 O ATOM 0 H ASP A 34 13.828 -2.450 7.947 1.00 0.00 H new ATOM 0 HA ASP A 34 12.276 -1.765 10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.729 -2.549 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.160 -0.909 9.558 1.00 0.00 H new ATOM 576 N PHE A 35 12.846 0.810 8.249 1.00 0.00 N ATOM 577 CA PHE A 35 12.653 2.231 7.981 1.00 0.00 C ATOM 578 C PHE A 35 11.511 2.472 6.986 1.00 0.00 C ATOM 579 O PHE A 35 11.488 3.525 6.347 1.00 0.00 O ATOM 580 CB PHE A 35 13.976 2.818 7.461 1.00 0.00 C ATOM 581 CG PHE A 35 15.187 2.469 8.301 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.201 2.772 9.673 1.00 0.00 C ATOM 583 CD2 PHE A 35 16.249 1.744 7.733 1.00 0.00 C ATOM 584 CE1 PHE A 35 16.250 2.307 10.481 1.00 0.00 C ATOM 585 CE2 PHE A 35 17.297 1.277 8.544 1.00 0.00 C ATOM 586 CZ PHE A 35 17.287 1.543 9.924 1.00 0.00 C ATOM 0 H PHE A 35 13.113 0.295 7.410 1.00 0.00 H new ATOM 0 HA PHE A 35 12.367 2.732 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.141 2.465 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.884 3.903 7.411 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.406 3.362 10.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.259 1.546 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 35 16.259 2.538 11.536 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.109 0.714 8.108 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.076 1.160 10.555 1.00 0.00 H new ATOM 596 N VAL A 36 10.603 1.505 6.816 1.00 0.00 N ATOM 597 CA VAL A 36 9.408 1.627 5.995 1.00 0.00 C ATOM 598 C VAL A 36 8.218 1.708 6.946 1.00 0.00 C ATOM 599 O VAL A 36 8.059 0.891 7.856 1.00 0.00 O ATOM 600 CB VAL A 36 9.277 0.423 5.033 1.00 0.00 C ATOM 601 CG1 VAL A 36 8.020 0.537 4.147 1.00 0.00 C ATOM 602 CG2 VAL A 36 10.494 0.273 4.107 1.00 0.00 C ATOM 0 H VAL A 36 10.688 0.592 7.262 1.00 0.00 H new ATOM 0 HA VAL A 36 9.456 2.519 5.371 1.00 0.00 H new ATOM 0 HB VAL A 36 9.206 -0.453 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.962 -0.327 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.132 0.570 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.076 1.448 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.350 -0.587 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.605 1.174 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.392 0.126 4.707 1.00 0.00 H new ATOM 612 N THR A 37 7.341 2.677 6.726 1.00 0.00 N ATOM 613 CA THR A 37 6.021 2.750 7.307 1.00 0.00 C ATOM 614 C THR A 37 5.141 3.405 6.234 1.00 0.00 C ATOM 615 O THR A 37 5.622 4.158 5.378 1.00 0.00 O ATOM 616 CB THR A 37 6.112 3.518 8.642 1.00 0.00 C ATOM 617 OG1 THR A 37 7.054 2.893 9.512 1.00 0.00 O ATOM 618 CG2 THR A 37 4.770 3.572 9.379 1.00 0.00 C ATOM 0 H THR A 37 7.545 3.464 6.110 1.00 0.00 H new ATOM 0 HA THR A 37 5.581 1.787 7.567 1.00 0.00 H new ATOM 0 HB THR A 37 6.421 4.532 8.388 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.102 3.392 10.354 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.889 4.123 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.031 4.073 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.434 2.558 9.597 1.00 0.00 H new ATOM 626 N PHE A 38 3.855 3.060 6.241 1.00 0.00 N ATOM 627 CA PHE A 38 2.859 3.618 5.347 1.00 0.00 C ATOM 628 C PHE A 38 2.020 4.573 6.205 1.00 0.00 C ATOM 629 O PHE A 38 1.642 4.212 7.321 1.00 0.00 O ATOM 630 CB PHE A 38 1.985 2.480 4.817 1.00 0.00 C ATOM 631 CG PHE A 38 2.739 1.304 4.215 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.520 1.483 3.059 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.678 0.031 4.819 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.227 0.402 2.507 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.360 -1.058 4.250 1.00 0.00 C ATOM 636 CZ PHE A 38 4.138 -0.872 3.096 1.00 0.00 C ATOM 0 H PHE A 38 3.474 2.368 6.886 1.00 0.00 H new ATOM 0 HA PHE A 38 3.301 4.137 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.363 2.112 5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.312 2.884 4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.576 2.456 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.104 -0.108 5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.839 0.549 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.286 -2.037 4.700 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.668 -1.707 2.661 1.00 0.00 H new ATOM 646 N SER A 39 1.702 5.766 5.716 1.00 0.00 N ATOM 647 CA SER A 39 1.153 6.843 6.541 1.00 0.00 C ATOM 648 C SER A 39 -0.259 7.239 6.123 1.00 0.00 C ATOM 649 O SER A 39 -1.144 7.426 6.959 1.00 0.00 O ATOM 650 CB SER A 39 2.181 7.981 6.537 1.00 0.00 C ATOM 651 OG SER A 39 1.680 9.303 6.584 1.00 0.00 O ATOM 0 H SER A 39 1.817 6.017 4.734 1.00 0.00 H new ATOM 0 HA SER A 39 1.007 6.517 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.844 7.840 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.791 7.882 5.639 1.00 0.00 H new ATOM 0 HG SER A 39 2.428 9.937 6.578 1.00 0.00 H new ATOM 657 N ARG A 40 -0.508 7.274 4.824 1.00 0.00 N ATOM 658 CA ARG A 40 -1.849 7.399 4.238 1.00 0.00 C ATOM 659 C ARG A 40 -2.148 6.158 3.391 1.00 0.00 C ATOM 660 O ARG A 40 -1.224 5.552 2.843 1.00 0.00 O ATOM 661 CB ARG A 40 -1.935 8.745 3.477 1.00 0.00 C ATOM 662 CG ARG A 40 -3.077 8.937 2.459 1.00 0.00 C ATOM 663 CD ARG A 40 -4.475 9.183 3.051 1.00 0.00 C ATOM 664 NE ARG A 40 -4.580 10.522 3.657 1.00 0.00 N ATOM 665 CZ ARG A 40 -4.864 10.823 4.929 1.00 0.00 C ATOM 666 NH1 ARG A 40 -5.260 9.884 5.779 1.00 0.00 N ATOM 667 NH2 ARG A 40 -4.754 12.077 5.352 1.00 0.00 N ATOM 0 H ARG A 40 0.230 7.215 4.123 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.629 7.430 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.012 9.541 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.992 8.890 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.824 9.779 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.124 8.052 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.226 9.078 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.691 8.425 3.804 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.417 11.312 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.351 8.918 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.473 10.129 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.454 12.808 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.970 12.309 6.321 1.00 0.00 H new ATOM 681 N VAL A 41 -3.431 5.815 3.257 1.00 0.00 N ATOM 682 CA VAL A 41 -3.979 4.872 2.289 1.00 0.00 C ATOM 683 C VAL A 41 -5.301 5.486 1.818 1.00 0.00 C ATOM 684 O VAL A 41 -6.088 5.910 2.665 1.00 0.00 O ATOM 685 CB VAL A 41 -4.182 3.477 2.929 1.00 0.00 C ATOM 686 CG1 VAL A 41 -4.855 2.497 1.954 1.00 0.00 C ATOM 687 CG2 VAL A 41 -2.850 2.866 3.387 1.00 0.00 C ATOM 0 H VAL A 41 -4.154 6.213 3.857 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.304 4.712 1.448 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.829 3.632 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.980 1.529 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.831 2.886 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.232 2.380 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.032 1.887 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.186 2.758 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.385 3.519 4.126 1.00 0.00 H new ATOM 697 N GLU A 42 -5.531 5.576 0.506 1.00 0.00 N ATOM 698 CA GLU A 42 -6.715 6.137 -0.124 1.00 0.00 C ATOM 699 C GLU A 42 -7.020 5.379 -1.427 1.00 0.00 C ATOM 700 O GLU A 42 -6.115 5.143 -2.228 1.00 0.00 O ATOM 701 CB GLU A 42 -6.405 7.617 -0.388 1.00 0.00 C ATOM 702 CG GLU A 42 -7.414 8.568 0.205 1.00 0.00 C ATOM 703 CD GLU A 42 -8.542 8.989 -0.752 1.00 0.00 C ATOM 704 OE1 GLU A 42 -9.004 8.153 -1.563 1.00 0.00 O ATOM 705 OE2 GLU A 42 -8.988 10.161 -0.711 1.00 0.00 O ATOM 0 H GLU A 42 -4.854 5.239 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.598 6.045 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.420 7.849 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.355 7.781 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.858 8.103 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.893 9.463 0.546 1.00 0.00 H new ATOM 712 N LEU A 43 -8.270 4.967 -1.661 1.00 0.00 N ATOM 713 CA LEU A 43 -8.658 4.171 -2.828 1.00 0.00 C ATOM 714 C LEU A 43 -9.340 4.997 -3.924 1.00 0.00 C ATOM 715 O LEU A 43 -9.900 6.066 -3.685 1.00 0.00 O ATOM 716 CB LEU A 43 -9.575 3.007 -2.395 1.00 0.00 C ATOM 717 CG LEU A 43 -8.801 1.704 -2.138 1.00 0.00 C ATOM 718 CD1 LEU A 43 -8.080 1.653 -0.791 1.00 0.00 C ATOM 719 CD2 LEU A 43 -9.735 0.495 -2.251 1.00 0.00 C ATOM 0 H LEU A 43 -9.049 5.180 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.736 3.780 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.111 3.290 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.324 2.833 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.030 1.674 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.560 0.700 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.358 2.468 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.807 1.755 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.171 -0.419 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.535 0.583 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.165 0.460 -3.252 1.00 0.00 H new ATOM 731 N SER A 44 -9.355 4.422 -5.127 1.00 0.00 N ATOM 732 CA SER A 44 -10.036 4.896 -6.323 1.00 0.00 C ATOM 733 C SER A 44 -11.545 5.014 -6.087 1.00 0.00 C ATOM 734 O SER A 44 -12.075 4.582 -5.060 1.00 0.00 O ATOM 735 CB SER A 44 -9.689 3.911 -7.448 1.00 0.00 C ATOM 736 OG SER A 44 -10.311 4.182 -8.687 1.00 0.00 O ATOM 0 H SER A 44 -8.854 3.550 -5.299 1.00 0.00 H new ATOM 0 HA SER A 44 -9.708 5.899 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.609 3.912 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.967 2.906 -7.130 1.00 0.00 H new ATOM 0 HG SER A 44 -9.917 3.614 -9.382 1.00 0.00 H new ATOM 742 N LYS A 45 -12.250 5.608 -7.056 1.00 0.00 N ATOM 743 CA LYS A 45 -13.692 5.828 -7.023 1.00 0.00 C ATOM 744 C LYS A 45 -14.387 4.495 -6.758 1.00 0.00 C ATOM 745 O LYS A 45 -15.009 4.293 -5.720 1.00 0.00 O ATOM 746 CB LYS A 45 -14.188 6.498 -8.318 1.00 0.00 C ATOM 747 CG LYS A 45 -13.901 8.009 -8.394 1.00 0.00 C ATOM 748 CD LYS A 45 -12.435 8.349 -8.697 1.00 0.00 C ATOM 749 CE LYS A 45 -12.279 9.862 -8.898 1.00 0.00 C ATOM 750 NZ LYS A 45 -11.424 10.237 -10.046 1.00 0.00 N ATOM 0 H LYS A 45 -11.815 5.958 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.939 6.517 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.720 6.007 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.262 6.338 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.533 8.451 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.183 8.470 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.799 8.015 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.107 7.819 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.266 10.302 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.860 10.296 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.369 11.273 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.469 9.848 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.832 9.854 -10.923 1.00 0.00 H new ATOM 764 N ASP A 46 -14.210 3.546 -7.675 1.00 0.00 N ATOM 765 CA ASP A 46 -14.900 2.258 -7.640 1.00 0.00 C ATOM 766 C ASP A 46 -13.949 1.174 -7.128 1.00 0.00 C ATOM 767 O ASP A 46 -13.920 0.064 -7.661 1.00 0.00 O ATOM 768 CB ASP A 46 -15.498 1.947 -9.020 1.00 0.00 C ATOM 769 CG ASP A 46 -16.460 3.042 -9.471 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.521 3.233 -8.821 1.00 0.00 O ATOM 771 OD2 ASP A 46 -16.129 3.755 -10.437 1.00 0.00 O ATOM 0 H ASP A 46 -13.579 3.650 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.736 2.293 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.696 1.842 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.023 0.992 -8.984 1.00 0.00 H new ATOM 776 N LYS A 47 -13.116 1.501 -6.124 1.00 0.00 N ATOM 777 CA LYS A 47 -12.077 0.636 -5.535 1.00 0.00 C ATOM 778 C LYS A 47 -11.216 -0.105 -6.578 1.00 0.00 C ATOM 779 O LYS A 47 -10.860 -1.272 -6.385 1.00 0.00 O ATOM 780 CB LYS A 47 -12.627 -0.258 -4.396 1.00 0.00 C ATOM 781 CG LYS A 47 -13.895 -1.031 -4.766 1.00 0.00 C ATOM 782 CD LYS A 47 -14.323 -2.088 -3.743 1.00 0.00 C ATOM 783 CE LYS A 47 -13.496 -3.369 -3.928 1.00 0.00 C ATOM 784 NZ LYS A 47 -14.058 -4.517 -3.186 1.00 0.00 N ATOM 0 H LYS A 47 -13.150 2.419 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.365 1.305 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.855 -0.968 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.835 0.366 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.711 -0.321 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.739 -1.519 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.189 -1.702 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.383 -2.311 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.446 -3.615 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.474 -3.189 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.464 -5.356 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.082 -4.296 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.024 -4.708 -3.522 1.00 0.00 H new ATOM 798 N ARG A 48 -10.885 0.548 -7.702 1.00 0.00 N ATOM 799 CA ARG A 48 -10.095 -0.057 -8.782 1.00 0.00 C ATOM 800 C ARG A 48 -8.592 0.080 -8.621 1.00 0.00 C ATOM 801 O ARG A 48 -7.866 -0.752 -9.170 1.00 0.00 O ATOM 802 CB ARG A 48 -10.538 0.483 -10.156 1.00 0.00 C ATOM 803 CG ARG A 48 -11.919 -0.030 -10.581 1.00 0.00 C ATOM 804 CD ARG A 48 -11.951 -1.558 -10.732 1.00 0.00 C ATOM 805 NE ARG A 48 -13.318 -2.059 -10.821 1.00 0.00 N ATOM 806 CZ ARG A 48 -13.948 -2.509 -11.901 1.00 0.00 C ATOM 807 NH1 ARG A 48 -13.363 -2.488 -13.094 1.00 0.00 N ATOM 808 NH2 ARG A 48 -15.178 -2.976 -11.754 1.00 0.00 N ATOM 0 H ARG A 48 -11.159 1.513 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.302 -1.125 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.554 1.572 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.802 0.197 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.661 0.276 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.201 0.433 -11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.398 -1.848 -11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.448 -2.019 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.853 -2.065 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.416 -2.122 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.861 -2.837 -13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.614 -2.983 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.690 -3.329 -12.563 1.00 0.00 H new ATOM 822 N TYR A 49 -8.130 1.044 -7.834 1.00 0.00 N ATOM 823 CA TYR A 49 -6.738 1.236 -7.457 1.00 0.00 C ATOM 824 C TYR A 49 -6.718 1.623 -5.988 1.00 0.00 C ATOM 825 O TYR A 49 -7.760 2.005 -5.443 1.00 0.00 O ATOM 826 CB TYR A 49 -6.087 2.299 -8.355 1.00 0.00 C ATOM 827 CG TYR A 49 -6.185 1.900 -9.812 1.00 0.00 C ATOM 828 CD1 TYR A 49 -5.408 0.829 -10.280 1.00 0.00 C ATOM 829 CD2 TYR A 49 -7.167 2.463 -10.643 1.00 0.00 C ATOM 830 CE1 TYR A 49 -5.621 0.295 -11.562 1.00 0.00 C ATOM 831 CE2 TYR A 49 -7.391 1.938 -11.925 1.00 0.00 C ATOM 832 CZ TYR A 49 -6.632 0.839 -12.384 1.00 0.00 C ATOM 833 OH TYR A 49 -6.909 0.285 -13.595 1.00 0.00 O ATOM 0 H TYR A 49 -8.746 1.745 -7.423 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.156 0.325 -7.595 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.577 3.261 -8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.041 2.426 -8.077 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.638 0.411 -9.648 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.751 3.302 -10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.015 -0.526 -11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.146 2.375 -12.562 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.633 0.785 -14.026 1.00 0.00 H new ATOM 843 N ALA A 50 -5.560 1.459 -5.362 1.00 0.00 N ATOM 844 CA ALA A 50 -5.311 1.798 -3.969 1.00 0.00 C ATOM 845 C ALA A 50 -3.965 2.505 -3.877 1.00 0.00 C ATOM 846 O ALA A 50 -2.950 1.936 -4.276 1.00 0.00 O ATOM 847 CB ALA A 50 -5.338 0.516 -3.132 1.00 0.00 C ATOM 0 H ALA A 50 -4.739 1.072 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.079 2.468 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.152 0.760 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.314 0.041 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.567 -0.167 -3.488 1.00 0.00 H new ATOM 853 N ASP A 51 -3.956 3.730 -3.368 1.00 0.00 N ATOM 854 CA ASP A 51 -2.774 4.569 -3.259 1.00 0.00 C ATOM 855 C ASP A 51 -2.287 4.422 -1.825 1.00 0.00 C ATOM 856 O ASP A 51 -3.071 4.612 -0.891 1.00 0.00 O ATOM 857 CB ASP A 51 -3.102 6.039 -3.579 1.00 0.00 C ATOM 858 CG ASP A 51 -3.498 6.315 -5.027 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.934 5.402 -5.771 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.369 7.473 -5.480 1.00 0.00 O ATOM 0 H ASP A 51 -4.798 4.179 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.009 4.265 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.914 6.363 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.234 6.650 -3.334 1.00 0.00 H new ATOM 865 N VAL A 52 -1.022 4.045 -1.636 1.00 0.00 N ATOM 866 CA VAL A 52 -0.426 3.758 -0.333 1.00 0.00 C ATOM 867 C VAL A 52 0.837 4.598 -0.223 1.00 0.00 C ATOM 868 O VAL A 52 1.682 4.549 -1.118 1.00 0.00 O ATOM 869 CB VAL A 52 -0.158 2.249 -0.204 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.615 1.901 1.084 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.475 1.460 -0.208 1.00 0.00 C ATOM 0 H VAL A 52 -0.366 3.928 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.093 4.018 0.489 1.00 0.00 H new ATOM 0 HB VAL A 52 0.452 1.972 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.780 0.825 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.576 2.416 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.036 2.217 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.261 0.395 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.093 1.780 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.006 1.644 -1.142 1.00 0.00 H new ATOM 881 N TYR A 53 0.959 5.361 0.864 1.00 0.00 N ATOM 882 CA TYR A 53 1.850 6.504 0.956 1.00 0.00 C ATOM 883 C TYR A 53 2.955 6.202 1.959 1.00 0.00 C ATOM 884 O TYR A 53 2.679 5.982 3.135 1.00 0.00 O ATOM 885 CB TYR A 53 1.047 7.723 1.370 1.00 0.00 C ATOM 886 CG TYR A 53 0.022 8.187 0.351 1.00 0.00 C ATOM 887 CD1 TYR A 53 -1.161 7.460 0.116 1.00 0.00 C ATOM 888 CD2 TYR A 53 0.263 9.362 -0.382 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.115 7.919 -0.800 1.00 0.00 C ATOM 890 CE2 TYR A 53 -0.683 9.825 -1.318 1.00 0.00 C ATOM 891 CZ TYR A 53 -1.883 9.104 -1.521 1.00 0.00 C ATOM 892 OH TYR A 53 -2.838 9.549 -2.377 1.00 0.00 O ATOM 0 H TYR A 53 0.428 5.193 1.719 1.00 0.00 H new ATOM 0 HA TYR A 53 2.314 6.706 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.534 7.502 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.736 8.543 1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.334 6.537 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.179 9.913 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.028 7.363 -0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.492 10.728 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.536 10.379 -2.802 1.00 0.00 H new ATOM 902 N VAL A 54 4.193 6.179 1.489 1.00 0.00 N ATOM 903 CA VAL A 54 5.337 5.562 2.177 1.00 0.00 C ATOM 904 C VAL A 54 6.476 6.547 2.425 1.00 0.00 C ATOM 905 O VAL A 54 7.127 7.012 1.489 1.00 0.00 O ATOM 906 CB VAL A 54 5.731 4.271 1.445 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.033 4.295 -0.031 1.00 0.00 C ATOM 908 CG2 VAL A 54 6.802 3.456 2.182 1.00 0.00 C ATOM 0 H VAL A 54 4.446 6.598 0.594 1.00 0.00 H new ATOM 0 HA VAL A 54 5.046 5.272 3.187 1.00 0.00 H new ATOM 0 HB VAL A 54 4.759 3.778 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.291 3.290 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.157 4.645 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.870 4.967 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.033 2.557 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.704 4.057 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.430 3.173 3.167 1.00 0.00 H new ATOM 918 N SER A 55 6.709 6.881 3.693 1.00 0.00 N ATOM 919 CA SER A 55 7.641 7.929 4.077 1.00 0.00 C ATOM 920 C SER A 55 8.974 7.324 4.541 1.00 0.00 C ATOM 921 O SER A 55 9.318 7.408 5.724 1.00 0.00 O ATOM 922 CB SER A 55 6.970 8.809 5.137 1.00 0.00 C ATOM 923 OG SER A 55 7.663 10.036 5.255 1.00 0.00 O ATOM 0 H SER A 55 6.252 6.427 4.484 1.00 0.00 H new ATOM 0 HA SER A 55 7.887 8.561 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.931 8.993 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.961 8.293 6.097 1.00 0.00 H new ATOM 0 HG SER A 55 7.378 10.643 4.540 1.00 0.00 H new ATOM 929 N PHE A 56 9.746 6.738 3.612 1.00 0.00 N ATOM 930 CA PHE A 56 10.977 6.005 3.935 1.00 0.00 C ATOM 931 C PHE A 56 11.917 6.849 4.797 1.00 0.00 C ATOM 932 O PHE A 56 12.200 7.996 4.427 1.00 0.00 O ATOM 933 CB PHE A 56 11.730 5.606 2.657 1.00 0.00 C ATOM 934 CG PHE A 56 12.835 4.585 2.886 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.528 3.325 3.430 1.00 0.00 C ATOM 936 CD2 PHE A 56 14.182 4.905 2.618 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.550 2.407 3.732 1.00 0.00 C ATOM 938 CE2 PHE A 56 15.206 3.986 2.922 1.00 0.00 C ATOM 939 CZ PHE A 56 14.893 2.741 3.495 1.00 0.00 C ATOM 0 H PHE A 56 9.532 6.760 2.615 1.00 0.00 H new ATOM 0 HA PHE A 56 10.676 5.113 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.017 5.201 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.162 6.500 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.498 3.060 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.430 5.859 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.301 1.442 4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.235 4.239 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.680 2.047 3.751 1.00 0.00 H new ATOM 949 N LEU A 57 12.413 6.279 5.898 1.00 0.00 N ATOM 950 CA LEU A 57 13.310 6.911 6.873 1.00 0.00 C ATOM 951 C LEU A 57 14.777 6.798 6.418 1.00 0.00 C ATOM 952 O LEU A 57 15.672 6.418 7.180 1.00 0.00 O ATOM 953 CB LEU A 57 13.043 6.304 8.269 1.00 0.00 C ATOM 954 CG LEU A 57 12.886 7.376 9.359 1.00 0.00 C ATOM 955 CD1 LEU A 57 12.368 6.730 10.646 1.00 0.00 C ATOM 956 CD2 LEU A 57 14.225 8.064 9.647 1.00 0.00 C ATOM 0 H LEU A 57 12.189 5.316 6.148 1.00 0.00 H new ATOM 0 HA LEU A 57 13.109 7.980 6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.139 5.696 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.864 5.638 8.535 1.00 0.00 H new ATOM 0 HG LEU A 57 12.176 8.123 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.258 7.493 11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.401 6.264 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.076 5.973 10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.087 8.818 10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.949 7.323 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.592 8.540 8.738 1.00 0.00 H new ATOM 968 N GLY A 58 15.008 7.072 5.135 1.00 0.00 N ATOM 969 CA GLY A 58 16.310 7.011 4.479 1.00 0.00 C ATOM 970 C GLY A 58 16.849 8.407 4.219 1.00 0.00 C ATOM 971 O GLY A 58 16.535 9.343 4.954 1.00 0.00 O ATOM 0 H GLY A 58 14.262 7.354 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.011 6.456 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.223 6.469 3.537 1.00 0.00 H new ATOM 975 N THR A 59 17.700 8.561 3.208 1.00 0.00 N ATOM 976 CA THR A 59 17.903 9.850 2.550 1.00 0.00 C ATOM 977 C THR A 59 16.812 10.001 1.472 1.00 0.00 C ATOM 978 O THR A 59 16.205 8.996 1.070 1.00 0.00 O ATOM 979 CB THR A 59 19.329 9.905 1.967 1.00 0.00 C ATOM 980 OG1 THR A 59 19.582 8.744 1.206 1.00 0.00 O ATOM 981 CG2 THR A 59 20.375 10.030 3.079 1.00 0.00 C ATOM 0 H THR A 59 18.264 7.803 2.824 1.00 0.00 H new ATOM 0 HA THR A 59 17.816 10.683 3.248 1.00 0.00 H new ATOM 0 HB THR A 59 19.400 10.785 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.489 8.786 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 59 21.371 10.067 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 59 20.195 10.943 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 59 20.304 9.169 3.744 1.00 0.00 H new ATOM 989 N PRO A 60 16.553 11.216 0.958 1.00 0.00 N ATOM 990 CA PRO A 60 15.509 11.426 -0.040 1.00 0.00 C ATOM 991 C PRO A 60 15.875 10.861 -1.424 1.00 0.00 C ATOM 992 O PRO A 60 14.996 10.752 -2.279 1.00 0.00 O ATOM 993 CB PRO A 60 15.282 12.940 -0.059 1.00 0.00 C ATOM 994 CG PRO A 60 16.639 13.512 0.346 1.00 0.00 C ATOM 995 CD PRO A 60 17.133 12.491 1.367 1.00 0.00 C ATOM 0 HA PRO A 60 14.598 10.885 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.979 13.288 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.498 13.237 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 60 17.315 13.595 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.547 14.508 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.222 12.441 1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.817 12.760 2.375 1.00 0.00 H new ATOM 1003 N GLU A 61 17.141 10.509 -1.671 1.00 0.00 N ATOM 1004 CA GLU A 61 17.558 9.745 -2.847 1.00 0.00 C ATOM 1005 C GLU A 61 17.265 8.265 -2.611 1.00 0.00 C ATOM 1006 O GLU A 61 16.586 7.649 -3.427 1.00 0.00 O ATOM 1007 CB GLU A 61 19.052 9.955 -3.120 1.00 0.00 C ATOM 1008 CG GLU A 61 19.349 11.316 -3.771 1.00 0.00 C ATOM 1009 CD GLU A 61 20.848 11.645 -3.763 1.00 0.00 C ATOM 1010 OE1 GLU A 61 21.482 11.575 -2.682 1.00 0.00 O ATOM 1011 OE2 GLU A 61 21.436 12.052 -4.787 1.00 0.00 O ATOM 0 H GLU A 61 17.914 10.751 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 61 17.002 10.091 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.603 9.877 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.414 9.159 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.984 11.313 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.804 12.097 -3.241 1.00 0.00 H new ATOM 1018 N GLU A 62 17.723 7.695 -1.487 1.00 0.00 N ATOM 1019 CA GLU A 62 17.519 6.279 -1.186 1.00 0.00 C ATOM 1020 C GLU A 62 16.035 5.932 -1.243 1.00 0.00 C ATOM 1021 O GLU A 62 15.681 4.914 -1.833 1.00 0.00 O ATOM 1022 CB GLU A 62 18.083 5.917 0.196 1.00 0.00 C ATOM 1023 CG GLU A 62 19.614 5.841 0.230 1.00 0.00 C ATOM 1024 CD GLU A 62 20.184 4.583 -0.417 1.00 0.00 C ATOM 1025 OE1 GLU A 62 19.893 3.467 0.074 1.00 0.00 O ATOM 1026 OE2 GLU A 62 21.019 4.714 -1.342 1.00 0.00 O ATOM 0 H GLU A 62 18.241 8.202 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 62 18.054 5.700 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.748 6.658 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.672 4.957 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 20.023 6.715 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 62 19.948 5.888 1.267 1.00 0.00 H new ATOM 1033 N ARG A 63 15.163 6.796 -0.696 1.00 0.00 N ATOM 1034 CA ARG A 63 13.709 6.637 -0.742 1.00 0.00 C ATOM 1035 C ARG A 63 13.225 6.234 -2.139 1.00 0.00 C ATOM 1036 O ARG A 63 12.346 5.369 -2.220 1.00 0.00 O ATOM 1037 CB ARG A 63 13.021 7.913 -0.245 1.00 0.00 C ATOM 1038 CG ARG A 63 11.499 7.730 -0.180 1.00 0.00 C ATOM 1039 CD ARG A 63 10.836 8.981 0.376 1.00 0.00 C ATOM 1040 NE ARG A 63 10.877 9.165 1.838 1.00 0.00 N ATOM 1041 CZ ARG A 63 10.021 9.936 2.525 1.00 0.00 C ATOM 1042 NH1 ARG A 63 9.015 10.569 1.919 1.00 0.00 N ATOM 1043 NH2 ARG A 63 10.165 10.036 3.843 1.00 0.00 N ATOM 0 H ARG A 63 15.459 7.638 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 63 13.434 5.821 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.402 8.174 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.263 8.743 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.110 7.517 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.256 6.873 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.305 9.848 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.792 8.979 0.064 1.00 0.00 H new ATOM 0 HE ARG A 63 11.603 8.675 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.884 10.472 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.377 11.150 2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.916 9.531 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.524 10.617 4.383 1.00 0.00 H new ATOM 1057 N LYS A 64 13.795 6.802 -3.202 1.00 0.00 N ATOM 1058 CA LYS A 64 13.303 6.584 -4.551 1.00 0.00 C ATOM 1059 C LYS A 64 13.672 5.229 -5.124 1.00 0.00 C ATOM 1060 O LYS A 64 12.984 4.726 -6.005 1.00 0.00 O ATOM 1061 CB LYS A 64 13.873 7.649 -5.482 1.00 0.00 C ATOM 1062 CG LYS A 64 13.392 9.072 -5.181 1.00 0.00 C ATOM 1063 CD LYS A 64 13.714 10.044 -6.316 1.00 0.00 C ATOM 1064 CE LYS A 64 13.074 11.395 -5.984 1.00 0.00 C ATOM 1065 NZ LYS A 64 13.014 12.279 -7.160 1.00 0.00 N ATOM 0 H LYS A 64 14.604 7.421 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 64 12.216 6.635 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.961 7.625 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.607 7.398 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.316 9.061 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.858 9.424 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.793 10.152 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.330 9.664 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.067 11.235 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.644 11.882 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.574 13.183 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.977 12.453 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.449 11.826 -7.906 1.00 0.00 H new ATOM 1079 N GLU A 65 14.771 4.639 -4.688 1.00 0.00 N ATOM 1080 CA GLU A 65 15.039 3.236 -4.982 1.00 0.00 C ATOM 1081 C GLU A 65 14.012 2.363 -4.251 1.00 0.00 C ATOM 1082 O GLU A 65 13.531 1.379 -4.811 1.00 0.00 O ATOM 1083 CB GLU A 65 16.493 2.914 -4.601 1.00 0.00 C ATOM 1084 CG GLU A 65 16.871 1.452 -4.863 1.00 0.00 C ATOM 1085 CD GLU A 65 18.380 1.234 -4.718 1.00 0.00 C ATOM 1086 OE1 GLU A 65 18.860 1.036 -3.576 1.00 0.00 O ATOM 1087 OE2 GLU A 65 19.080 1.183 -5.755 1.00 0.00 O ATOM 0 H GLU A 65 15.490 5.103 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 65 14.933 3.025 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.163 3.563 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.645 3.139 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.339 0.806 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.555 1.166 -5.866 1.00 0.00 H new ATOM 1094 N THR A 66 13.634 2.715 -3.019 1.00 0.00 N ATOM 1095 CA THR A 66 12.800 1.827 -2.220 1.00 0.00 C ATOM 1096 C THR A 66 11.389 1.667 -2.791 1.00 0.00 C ATOM 1097 O THR A 66 10.824 0.572 -2.732 1.00 0.00 O ATOM 1098 CB THR A 66 12.792 2.246 -0.742 1.00 0.00 C ATOM 1099 OG1 THR A 66 12.017 3.406 -0.514 1.00 0.00 O ATOM 1100 CG2 THR A 66 14.183 2.538 -0.200 1.00 0.00 C ATOM 0 H THR A 66 13.888 3.592 -2.564 1.00 0.00 H new ATOM 0 HA THR A 66 13.252 0.836 -2.272 1.00 0.00 H new ATOM 0 HB THR A 66 12.361 1.388 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.387 4.153 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.111 2.829 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.802 1.645 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.633 3.350 -0.772 1.00 0.00 H new ATOM 1108 N VAL A 67 10.798 2.723 -3.353 1.00 0.00 N ATOM 1109 CA VAL A 67 9.425 2.660 -3.847 1.00 0.00 C ATOM 1110 C VAL A 67 9.303 1.616 -4.975 1.00 0.00 C ATOM 1111 O VAL A 67 8.251 0.983 -5.120 1.00 0.00 O ATOM 1112 CB VAL A 67 8.957 4.080 -4.235 1.00 0.00 C ATOM 1113 CG1 VAL A 67 9.654 4.603 -5.489 1.00 0.00 C ATOM 1114 CG2 VAL A 67 7.437 4.144 -4.417 1.00 0.00 C ATOM 0 H VAL A 67 11.249 3.629 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 67 8.748 2.314 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 67 9.238 4.726 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.289 5.604 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.730 4.639 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.441 3.939 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.146 5.158 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.136 3.455 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.947 3.864 -3.485 1.00 0.00 H new ATOM 1124 N GLU A 68 10.385 1.367 -5.726 1.00 0.00 N ATOM 1125 CA GLU A 68 10.420 0.336 -6.751 1.00 0.00 C ATOM 1126 C GLU A 68 10.419 -1.063 -6.135 1.00 0.00 C ATOM 1127 O GLU A 68 9.745 -1.940 -6.679 1.00 0.00 O ATOM 1128 CB GLU A 68 11.660 0.506 -7.640 1.00 0.00 C ATOM 1129 CG GLU A 68 11.378 1.381 -8.864 1.00 0.00 C ATOM 1130 CD GLU A 68 10.326 0.733 -9.778 1.00 0.00 C ATOM 1131 OE1 GLU A 68 10.626 -0.339 -10.355 1.00 0.00 O ATOM 1132 OE2 GLU A 68 9.184 1.248 -9.894 1.00 0.00 O ATOM 0 H GLU A 68 11.260 1.882 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 68 9.521 0.446 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.466 0.950 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.007 -0.474 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.029 2.362 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.301 1.539 -9.422 1.00 0.00 H new ATOM 1139 N ILE A 69 11.132 -1.274 -5.024 1.00 0.00 N ATOM 1140 CA ILE A 69 11.161 -2.553 -4.316 1.00 0.00 C ATOM 1141 C ILE A 69 9.753 -2.864 -3.804 1.00 0.00 C ATOM 1142 O ILE A 69 9.291 -4.001 -3.936 1.00 0.00 O ATOM 1143 CB ILE A 69 12.221 -2.563 -3.180 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.622 -2.169 -3.704 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.230 -3.956 -2.518 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.687 -1.998 -2.612 1.00 0.00 C ATOM 0 H ILE A 69 11.709 -0.554 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 69 11.466 -3.341 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 69 11.954 -1.815 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.960 -2.930 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.538 -1.236 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.971 -3.974 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.244 -4.168 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.481 -4.711 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.637 -1.722 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.377 -1.215 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.805 -2.936 -2.069 1.00 0.00 H new ATOM 1158 N LEU A 70 9.051 -1.867 -3.255 1.00 0.00 N ATOM 1159 CA LEU A 70 7.685 -2.028 -2.766 1.00 0.00 C ATOM 1160 C LEU A 70 6.773 -2.440 -3.930 1.00 0.00 C ATOM 1161 O LEU A 70 6.005 -3.397 -3.841 1.00 0.00 O ATOM 1162 CB LEU A 70 7.183 -0.715 -2.118 1.00 0.00 C ATOM 1163 CG LEU A 70 6.539 -0.791 -0.713 1.00 0.00 C ATOM 1164 CD1 LEU A 70 5.987 -2.161 -0.325 1.00 0.00 C ATOM 1165 CD2 LEU A 70 7.486 -0.340 0.393 1.00 0.00 C ATOM 0 H LEU A 70 9.419 -0.923 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 70 7.665 -2.807 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.028 -0.028 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.454 -0.268 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 70 5.698 -0.104 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.558 -2.110 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.216 -2.457 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.793 -2.895 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.982 -0.414 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.371 -0.977 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.784 0.694 0.218 1.00 0.00 H new ATOM 1177 N ASN A 71 6.883 -1.728 -5.054 1.00 0.00 N ATOM 1178 CA ASN A 71 6.085 -1.961 -6.255 1.00 0.00 C ATOM 1179 C ASN A 71 6.346 -3.323 -6.892 1.00 0.00 C ATOM 1180 O ASN A 71 5.420 -3.926 -7.425 1.00 0.00 O ATOM 1181 CB ASN A 71 6.352 -0.862 -7.284 1.00 0.00 C ATOM 1182 CG ASN A 71 5.348 0.271 -7.132 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.198 0.147 -7.534 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.755 1.377 -6.529 1.00 0.00 N ATOM 0 H ASN A 71 7.544 -0.958 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 71 5.041 -1.944 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.364 -0.477 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.291 -1.276 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.105 2.151 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.718 1.455 -6.203 1.00 0.00 H new ATOM 1191 N ARG A 72 7.575 -3.824 -6.842 1.00 0.00 N ATOM 1192 CA ARG A 72 7.930 -5.210 -7.092 1.00 0.00 C ATOM 1193 C ARG A 72 7.148 -6.123 -6.155 1.00 0.00 C ATOM 1194 O ARG A 72 6.405 -6.986 -6.627 1.00 0.00 O ATOM 1195 CB ARG A 72 9.465 -5.326 -6.998 1.00 0.00 C ATOM 1196 CG ARG A 72 9.967 -6.708 -6.591 1.00 0.00 C ATOM 1197 CD ARG A 72 11.460 -6.906 -6.875 1.00 0.00 C ATOM 1198 NE ARG A 72 11.665 -7.644 -8.128 1.00 0.00 N ATOM 1199 CZ ARG A 72 12.710 -7.566 -8.958 1.00 0.00 C ATOM 1200 NH1 ARG A 72 13.702 -6.698 -8.773 1.00 0.00 N ATOM 1201 NH2 ARG A 72 12.751 -8.380 -9.997 1.00 0.00 N ATOM 0 H ARG A 72 8.385 -3.247 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 72 7.649 -5.540 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.897 -5.066 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.830 -4.593 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.781 -6.858 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.397 -7.468 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.954 -5.936 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.922 -7.448 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 72 10.924 -8.291 -8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.681 -6.062 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.483 -6.669 -9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.996 -9.048 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.538 -8.340 -10.645 1.00 0.00 H new ATOM 1215 N ALA A 73 7.285 -5.928 -4.844 1.00 0.00 N ATOM 1216 CA ALA A 73 6.724 -6.787 -3.812 1.00 0.00 C ATOM 1217 C ALA A 73 5.188 -6.835 -3.784 1.00 0.00 C ATOM 1218 O ALA A 73 4.634 -7.668 -3.064 1.00 0.00 O ATOM 1219 CB ALA A 73 7.281 -6.352 -2.457 1.00 0.00 C ATOM 0 H ALA A 73 7.808 -5.140 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 73 7.026 -7.807 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.869 -6.988 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.367 -6.443 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.005 -5.315 -2.266 1.00 0.00 H new ATOM 1225 N LYS A 74 4.488 -6.024 -4.590 1.00 0.00 N ATOM 1226 CA LYS A 74 3.033 -6.011 -4.745 1.00 0.00 C ATOM 1227 C LYS A 74 2.445 -7.418 -4.860 1.00 0.00 C ATOM 1228 O LYS A 74 1.414 -7.679 -4.244 1.00 0.00 O ATOM 1229 CB LYS A 74 2.688 -5.219 -6.022 1.00 0.00 C ATOM 1230 CG LYS A 74 2.128 -3.817 -5.776 1.00 0.00 C ATOM 1231 CD LYS A 74 1.348 -3.290 -6.996 1.00 0.00 C ATOM 1232 CE LYS A 74 2.162 -2.471 -8.013 1.00 0.00 C ATOM 1233 NZ LYS A 74 3.077 -3.288 -8.842 1.00 0.00 N ATOM 0 H LYS A 74 4.946 -5.328 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 74 2.603 -5.548 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.586 -5.134 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.961 -5.789 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.472 -3.835 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.946 -3.134 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.906 -4.140 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.525 -2.672 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.475 -1.935 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.744 -1.720 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.450 -2.709 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.865 -3.629 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.559 -4.101 -9.233 1.00 0.00 H new ATOM 1247 N GLY A 75 3.083 -8.332 -5.593 1.00 0.00 N ATOM 1248 CA GLY A 75 2.592 -9.691 -5.800 1.00 0.00 C ATOM 1249 C GLY A 75 2.565 -10.567 -4.543 1.00 0.00 C ATOM 1250 O GLY A 75 2.073 -11.695 -4.611 1.00 0.00 O ATOM 0 H GLY A 75 3.967 -8.144 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.583 -9.639 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.216 -10.177 -6.550 1.00 0.00 H new ATOM 1254 N PHE A 76 3.080 -10.086 -3.412 1.00 0.00 N ATOM 1255 CA PHE A 76 2.899 -10.700 -2.106 1.00 0.00 C ATOM 1256 C PHE A 76 1.756 -9.982 -1.393 1.00 0.00 C ATOM 1257 O PHE A 76 0.760 -10.616 -1.046 1.00 0.00 O ATOM 1258 CB PHE A 76 4.219 -10.618 -1.338 1.00 0.00 C ATOM 1259 CG PHE A 76 4.234 -11.338 -0.007 1.00 0.00 C ATOM 1260 CD1 PHE A 76 4.144 -12.740 0.037 1.00 0.00 C ATOM 1261 CD2 PHE A 76 4.442 -10.619 1.182 1.00 0.00 C ATOM 1262 CE1 PHE A 76 4.303 -13.425 1.256 1.00 0.00 C ATOM 1263 CE2 PHE A 76 4.657 -11.305 2.385 1.00 0.00 C ATOM 1264 CZ PHE A 76 4.582 -12.707 2.431 1.00 0.00 C ATOM 0 H PHE A 76 3.647 -9.239 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 76 2.633 -11.754 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.012 -11.028 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.458 -9.568 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.952 -13.295 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.436 -9.539 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.211 -14.501 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.882 -10.751 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.738 -13.229 3.363 1.00 0.00 H new ATOM 1274 N PHE A 77 1.880 -8.655 -1.250 1.00 0.00 N ATOM 1275 CA PHE A 77 0.895 -7.785 -0.618 1.00 0.00 C ATOM 1276 C PHE A 77 -0.512 -8.088 -1.116 1.00 0.00 C ATOM 1277 O PHE A 77 -1.344 -8.543 -0.339 1.00 0.00 O ATOM 1278 CB PHE A 77 1.242 -6.307 -0.857 1.00 0.00 C ATOM 1279 CG PHE A 77 2.457 -5.828 -0.096 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.372 -5.655 1.295 1.00 0.00 C ATOM 1281 CD2 PHE A 77 3.660 -5.532 -0.761 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.489 -5.221 2.023 1.00 0.00 C ATOM 1283 CE2 PHE A 77 4.779 -5.107 -0.030 1.00 0.00 C ATOM 1284 CZ PHE A 77 4.697 -4.960 1.365 1.00 0.00 C ATOM 0 H PHE A 77 2.699 -8.147 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 77 0.921 -7.979 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.410 -6.152 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.386 -5.694 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.442 -5.857 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.722 -5.632 -1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.417 -5.088 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.706 -4.892 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.564 -4.646 1.928 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.773 -7.858 -2.407 1.00 0.00 N ATOM 1295 CA ARG A 78 -2.109 -7.887 -3.005 1.00 0.00 C ATOM 1296 C ARG A 78 -2.782 -9.237 -2.752 1.00 0.00 C ATOM 1297 O ARG A 78 -3.983 -9.284 -2.486 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.969 -7.628 -4.521 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.107 -6.783 -5.115 1.00 0.00 C ATOM 1300 CD ARG A 78 -2.917 -6.487 -6.615 1.00 0.00 C ATOM 1301 NE ARG A 78 -2.661 -7.696 -7.418 1.00 0.00 N ATOM 1302 CZ ARG A 78 -3.555 -8.597 -7.842 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -4.855 -8.462 -7.620 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -3.107 -9.660 -8.491 1.00 0.00 N ATOM 0 H ARG A 78 -0.040 -7.641 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.733 -7.116 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.020 -7.125 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.930 -8.585 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.053 -7.305 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.175 -5.841 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.808 -5.988 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.085 -5.793 -6.739 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.690 -7.866 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.204 -7.650 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.506 -9.170 -7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.107 -9.774 -8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.762 -10.366 -8.828 1.00 0.00 H new ATOM 1318 N THR A 79 -2.012 -10.320 -2.827 1.00 0.00 N ATOM 1319 CA THR A 79 -2.486 -11.669 -2.559 1.00 0.00 C ATOM 1320 C THR A 79 -3.007 -11.789 -1.128 1.00 0.00 C ATOM 1321 O THR A 79 -4.094 -12.315 -0.907 1.00 0.00 O ATOM 1322 CB THR A 79 -1.367 -12.675 -2.876 1.00 0.00 C ATOM 1323 OG1 THR A 79 -0.883 -12.451 -4.193 1.00 0.00 O ATOM 1324 CG2 THR A 79 -1.851 -14.123 -2.751 1.00 0.00 C ATOM 0 H THR A 79 -1.025 -10.280 -3.080 1.00 0.00 H new ATOM 0 HA THR A 79 -3.331 -11.900 -3.207 1.00 0.00 H new ATOM 0 HB THR A 79 -0.568 -12.523 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.069 -12.220 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.031 -14.802 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.196 -14.305 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.672 -14.294 -3.448 1.00 0.00 H new ATOM 1332 N PHE A 80 -2.272 -11.261 -0.152 1.00 0.00 N ATOM 1333 CA PHE A 80 -2.701 -11.238 1.245 1.00 0.00 C ATOM 1334 C PHE A 80 -4.024 -10.474 1.392 1.00 0.00 C ATOM 1335 O PHE A 80 -4.901 -10.930 2.123 1.00 0.00 O ATOM 1336 CB PHE A 80 -1.581 -10.677 2.139 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.824 -10.798 3.634 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -1.676 -12.040 4.283 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -2.169 -9.660 4.388 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -1.886 -12.146 5.671 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -2.371 -9.767 5.776 1.00 0.00 C ATOM 1342 CZ PHE A 80 -2.240 -11.009 6.418 1.00 0.00 C ATOM 0 H PHE A 80 -1.358 -10.835 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.893 -12.257 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.652 -11.192 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.436 -9.625 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.400 -12.915 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.279 -8.703 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.775 -13.101 6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.628 -8.890 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.411 -11.090 7.481 1.00 0.00 H new ATOM 1352 N ILE A 81 -4.221 -9.371 0.666 1.00 0.00 N ATOM 1353 CA ILE A 81 -5.466 -8.594 0.703 1.00 0.00 C ATOM 1354 C ILE A 81 -6.619 -9.425 0.122 1.00 0.00 C ATOM 1355 O ILE A 81 -7.713 -9.437 0.687 1.00 0.00 O ATOM 1356 CB ILE A 81 -5.324 -7.217 -0.005 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.912 -6.633 0.217 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -6.419 -6.257 0.493 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -3.654 -5.187 -0.178 1.00 0.00 C ATOM 0 H ILE A 81 -3.519 -8.988 0.032 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.695 -8.370 1.745 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.454 -7.352 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.674 -6.735 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.205 -7.257 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.314 -5.294 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.400 -6.677 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.320 -6.119 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.618 -4.929 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.842 -5.062 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.317 -4.532 0.386 1.00 0.00 H new ATOM 1371 N ALA A 82 -6.402 -10.155 -0.975 1.00 0.00 N ATOM 1372 CA ALA A 82 -7.400 -11.064 -1.545 1.00 0.00 C ATOM 1373 C ALA A 82 -7.563 -12.368 -0.751 1.00 0.00 C ATOM 1374 O ALA A 82 -8.439 -13.169 -1.059 1.00 0.00 O ATOM 1375 CB ALA A 82 -7.072 -11.348 -3.007 1.00 0.00 C ATOM 0 H ALA A 82 -5.525 -10.132 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.363 -10.558 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.819 -12.024 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.076 -10.414 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.087 -11.809 -3.076 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.734 -12.614 0.259 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.872 -13.737 1.179 1.00 0.00 C ATOM 1383 C LYS A 83 -7.689 -13.290 2.392 1.00 0.00 C ATOM 1384 O LYS A 83 -8.567 -14.015 2.854 1.00 0.00 O ATOM 1385 CB LYS A 83 -5.452 -14.231 1.507 1.00 0.00 C ATOM 1386 CG LYS A 83 -5.386 -15.405 2.485 1.00 0.00 C ATOM 1387 CD LYS A 83 -3.948 -15.954 2.584 1.00 0.00 C ATOM 1388 CE LYS A 83 -3.493 -16.716 1.324 1.00 0.00 C ATOM 1389 NZ LYS A 83 -2.048 -17.044 1.345 1.00 0.00 N ATOM 0 H LYS A 83 -5.928 -12.023 0.465 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.420 -14.578 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.962 -14.523 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.881 -13.400 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.726 -15.084 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.060 -16.196 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.263 -15.126 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.880 -16.618 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.069 -17.637 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.712 -16.115 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.795 -17.555 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.494 -16.166 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.839 -17.641 2.171 1.00 0.00 H new ATOM 1403 N ASN A 84 -7.415 -12.087 2.897 1.00 0.00 N ATOM 1404 CA ASN A 84 -7.932 -11.582 4.167 1.00 0.00 C ATOM 1405 C ASN A 84 -9.251 -10.845 3.984 1.00 0.00 C ATOM 1406 O ASN A 84 -10.187 -11.064 4.745 1.00 0.00 O ATOM 1407 CB ASN A 84 -6.895 -10.644 4.802 1.00 0.00 C ATOM 1408 CG ASN A 84 -5.832 -11.447 5.518 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -5.868 -11.583 6.734 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -4.921 -12.051 4.778 1.00 0.00 N ATOM 0 H ASN A 84 -6.810 -11.419 2.420 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.117 -12.434 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.436 -10.024 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.386 -9.970 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.222 -12.650 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.916 -11.919 3.767 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.344 -9.986 2.970 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.523 -9.189 2.619 1.00 0.00 C ATOM 1419 C LEU A 85 -11.363 -9.856 1.575 1.00 0.00 C ATOM 1420 O LEU A 85 -12.143 -9.211 0.868 1.00 0.00 O ATOM 1421 CB LEU A 85 -10.085 -7.744 2.336 1.00 0.00 C ATOM 1422 CG LEU A 85 -11.235 -6.719 2.395 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -10.936 -5.655 3.456 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -11.407 -6.036 1.038 1.00 0.00 C ATOM 0 H LEU A 85 -8.561 -9.817 2.338 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.214 -9.125 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.320 -7.459 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.624 -7.701 1.349 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.153 -7.247 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.754 -4.935 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.831 -6.132 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.010 -5.139 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.222 -5.315 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.485 -5.521 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.637 -6.785 0.280 1.00 0.00 H new ATOM 1436 N ARG A 86 -11.300 -11.185 1.622 1.00 0.00 N ATOM 1437 CA ARG A 86 -12.141 -12.024 0.827 1.00 0.00 C ATOM 1438 C ARG A 86 -11.884 -11.639 -0.623 1.00 0.00 C ATOM 1439 O ARG A 86 -10.849 -11.074 -1.011 1.00 0.00 O ATOM 1440 CB ARG A 86 -13.611 -11.987 1.327 1.00 0.00 C ATOM 1441 CG ARG A 86 -13.778 -12.316 2.820 1.00 0.00 C ATOM 1442 CD ARG A 86 -15.259 -12.382 3.225 1.00 0.00 C ATOM 1443 NE ARG A 86 -15.464 -12.184 4.674 1.00 0.00 N ATOM 1444 CZ ARG A 86 -15.808 -13.095 5.595 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -15.781 -14.398 5.343 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -16.214 -12.688 6.791 1.00 0.00 N ATOM 0 H ARG A 86 -10.654 -11.696 2.223 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.909 -13.085 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.023 -10.996 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.200 -12.694 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.298 -13.270 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.270 -11.559 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.815 -11.622 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.668 -13.349 2.933 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.326 -11.233 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.492 -14.734 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.050 -15.063 6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.262 -11.691 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.478 -13.372 7.500 1.00 0.00 H new ATOM 1460 N LEU A 87 -12.838 -12.043 -1.419 1.00 0.00 N ATOM 1461 CA LEU A 87 -12.800 -12.083 -2.860 1.00 0.00 C ATOM 1462 C LEU A 87 -11.579 -12.890 -3.351 1.00 0.00 C ATOM 1463 O LEU A 87 -11.047 -13.719 -2.619 1.00 0.00 O ATOM 1464 CB LEU A 87 -12.879 -10.627 -3.361 1.00 0.00 C ATOM 1465 CG LEU A 87 -13.861 -10.516 -4.522 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -15.325 -10.450 -4.076 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -13.531 -9.282 -5.359 1.00 0.00 C ATOM 0 H LEU A 87 -13.729 -12.378 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.650 -12.618 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.192 -9.973 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.892 -10.291 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.749 -11.426 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.969 -10.372 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.577 -11.353 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.472 -9.578 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.235 -9.206 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.605 -8.390 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.517 -9.368 -5.750 1.00 0.00 H new ATOM 1479 N TYR A 88 -11.161 -12.698 -4.606 1.00 0.00 N ATOM 1480 CA TYR A 88 -9.914 -13.250 -5.156 1.00 0.00 C ATOM 1481 C TYR A 88 -9.085 -12.177 -5.871 1.00 0.00 C ATOM 1482 O TYR A 88 -7.878 -12.338 -6.078 1.00 0.00 O ATOM 1483 CB TYR A 88 -10.244 -14.416 -6.095 1.00 0.00 C ATOM 1484 CG TYR A 88 -9.058 -14.982 -6.857 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -8.241 -15.982 -6.293 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -8.750 -14.469 -8.130 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -7.133 -16.475 -7.009 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -7.619 -14.918 -8.827 1.00 0.00 C ATOM 1489 CZ TYR A 88 -6.821 -15.944 -8.282 1.00 0.00 C ATOM 1490 OH TYR A 88 -5.736 -16.378 -8.978 1.00 0.00 O ATOM 0 H TYR A 88 -11.688 -12.145 -5.282 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.303 -13.618 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.697 -15.217 -5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.993 -14.083 -6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.465 -16.371 -5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.391 -13.722 -8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.522 -17.258 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.360 -14.479 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.682 -15.900 -9.832 1.00 0.00 H new ATOM 1500 N VAL A 89 -9.705 -11.052 -6.225 1.00 0.00 N ATOM 1501 CA VAL A 89 -9.031 -9.900 -6.791 1.00 0.00 C ATOM 1502 C VAL A 89 -9.146 -8.734 -5.813 1.00 0.00 C ATOM 1503 O VAL A 89 -10.129 -8.612 -5.073 1.00 0.00 O ATOM 1504 CB VAL A 89 -9.569 -9.590 -8.200 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -9.316 -10.754 -9.173 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -11.063 -9.238 -8.246 1.00 0.00 C ATOM 0 H VAL A 89 -10.711 -10.920 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.969 -10.104 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.012 -8.705 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.710 -10.498 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.244 -10.939 -9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.814 -11.651 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.357 -9.034 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.646 -10.075 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.248 -8.355 -7.634 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.122 -7.890 -5.809 1.00 0.00 N ATOM 1517 CA ALA A 90 -8.034 -6.652 -5.062 1.00 0.00 C ATOM 1518 C ALA A 90 -7.230 -5.659 -5.924 1.00 0.00 C ATOM 1519 O ALA A 90 -6.455 -6.111 -6.788 1.00 0.00 O ATOM 1520 CB ALA A 90 -7.363 -6.955 -3.713 1.00 0.00 C ATOM 0 H ALA A 90 -7.283 -8.067 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.007 -6.210 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.285 -6.037 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.961 -7.683 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.366 -7.361 -3.885 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.396 -4.335 -5.723 1.00 0.00 N ATOM 1527 CA PRO A 91 -6.823 -3.296 -6.575 1.00 0.00 C ATOM 1528 C PRO A 91 -5.297 -3.311 -6.628 1.00 0.00 C ATOM 1529 O PRO A 91 -4.626 -3.874 -5.761 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.314 -1.957 -6.007 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.835 -2.281 -4.617 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.289 -3.728 -4.747 1.00 0.00 C ATOM 0 HA PRO A 91 -7.144 -3.465 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.505 -1.227 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.098 -1.528 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -7.059 -2.168 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.657 -1.625 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.231 -4.244 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.326 -3.785 -5.077 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.736 -2.616 -7.616 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.314 -2.339 -7.664 1.00 0.00 C ATOM 1542 C GLU A 92 -2.958 -1.445 -6.481 1.00 0.00 C ATOM 1543 O GLU A 92 -3.477 -0.334 -6.383 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.953 -1.658 -8.995 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.616 -2.161 -9.545 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.639 -3.657 -9.864 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.202 -4.049 -10.908 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.091 -4.459 -9.069 1.00 0.00 O ATOM 0 H GLU A 92 -5.260 -2.232 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.746 -3.267 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.740 -1.846 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.904 -0.579 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.366 -1.604 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.829 -1.960 -8.818 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.083 -1.929 -5.600 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.489 -1.138 -4.533 1.00 0.00 C ATOM 1557 C ILE A 93 -0.395 -0.273 -5.176 1.00 0.00 C ATOM 1558 O ILE A 93 0.756 -0.707 -5.291 1.00 0.00 O ATOM 1559 CB ILE A 93 -0.952 -2.067 -3.414 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.032 -2.994 -2.803 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.296 -1.231 -2.310 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.035 -2.289 -1.879 1.00 0.00 C ATOM 0 H ILE A 93 -1.765 -2.898 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.219 -0.488 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.216 -2.720 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.581 -3.473 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.536 -3.786 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.079 -1.891 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.532 -0.659 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.031 -0.547 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.752 -3.016 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.503 -1.833 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.563 -1.516 -2.437 1.00 0.00 H new ATOM 1574 N ARG A 94 -0.738 0.921 -5.657 1.00 0.00 N ATOM 1575 CA ARG A 94 0.271 1.886 -6.061 1.00 0.00 C ATOM 1576 C ARG A 94 0.903 2.442 -4.797 1.00 0.00 C ATOM 1577 O ARG A 94 0.373 3.348 -4.159 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.294 2.986 -6.969 1.00 0.00 C ATOM 1579 CG ARG A 94 -0.576 2.430 -8.373 1.00 0.00 C ATOM 1580 CD ARG A 94 -0.463 3.501 -9.470 1.00 0.00 C ATOM 1581 NE ARG A 94 -0.089 2.878 -10.752 1.00 0.00 N ATOM 1582 CZ ARG A 94 1.165 2.558 -11.101 1.00 0.00 C ATOM 1583 NH1 ARG A 94 2.214 3.092 -10.487 1.00 0.00 N ATOM 1584 NH2 ARG A 94 1.381 1.654 -12.045 1.00 0.00 N ATOM 0 H ARG A 94 -1.701 1.237 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 94 1.030 1.394 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.212 3.386 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.414 3.812 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.124 1.622 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.577 1.999 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.413 4.026 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.282 4.244 -9.187 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.834 2.677 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.076 3.762 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.158 2.832 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.593 1.201 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.336 1.411 -12.310 1.00 0.00 H new ATOM 1598 N PHE A 95 2.038 1.856 -4.430 1.00 0.00 N ATOM 1599 CA PHE A 95 2.946 2.454 -3.479 1.00 0.00 C ATOM 1600 C PHE A 95 3.493 3.725 -4.118 1.00 0.00 C ATOM 1601 O PHE A 95 4.274 3.649 -5.076 1.00 0.00 O ATOM 1602 CB PHE A 95 4.063 1.474 -3.115 1.00 0.00 C ATOM 1603 CG PHE A 95 3.559 0.196 -2.481 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.105 0.218 -1.151 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.556 -1.009 -3.209 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.689 -0.977 -0.535 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.135 -2.204 -2.600 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.707 -2.186 -1.258 1.00 0.00 C ATOM 0 H PHE A 95 2.347 0.953 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 95 2.435 2.699 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.627 1.227 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.755 1.962 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.076 1.149 -0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.879 -1.015 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.356 -0.967 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.140 -3.129 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.391 -3.102 -0.782 1.00 0.00 H new ATOM 1618 N TYR A 96 3.070 4.875 -3.606 1.00 0.00 N ATOM 1619 CA TYR A 96 3.676 6.166 -3.880 1.00 0.00 C ATOM 1620 C TYR A 96 4.400 6.580 -2.612 1.00 0.00 C ATOM 1621 O TYR A 96 3.850 6.492 -1.520 1.00 0.00 O ATOM 1622 CB TYR A 96 2.618 7.216 -4.209 1.00 0.00 C ATOM 1623 CG TYR A 96 1.795 6.959 -5.451 1.00 0.00 C ATOM 1624 CD1 TYR A 96 2.278 7.317 -6.725 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.505 6.425 -5.314 1.00 0.00 C ATOM 1626 CE1 TYR A 96 1.450 7.193 -7.855 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.326 6.307 -6.438 1.00 0.00 C ATOM 1628 CZ TYR A 96 0.133 6.708 -7.713 1.00 0.00 C ATOM 1629 OH TYR A 96 -0.672 6.599 -8.806 1.00 0.00 O ATOM 0 H TYR A 96 2.274 4.933 -2.971 1.00 0.00 H new ATOM 0 HA TYR A 96 4.346 6.090 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.941 7.300 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.113 8.181 -4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.287 7.688 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.152 6.105 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.822 7.469 -8.831 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.323 5.907 -6.328 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.546 6.248 -8.535 1.00 0.00 H new ATOM 1639 N GLU A 97 5.640 7.022 -2.707 1.00 0.00 N ATOM 1640 CA GLU A 97 6.386 7.434 -1.530 1.00 0.00 C ATOM 1641 C GLU A 97 5.959 8.846 -1.117 1.00 0.00 C ATOM 1642 O GLU A 97 6.580 9.840 -1.474 1.00 0.00 O ATOM 1643 CB GLU A 97 7.889 7.354 -1.804 1.00 0.00 C ATOM 1644 CG GLU A 97 8.334 7.979 -3.145 1.00 0.00 C ATOM 1645 CD GLU A 97 9.657 8.737 -3.083 1.00 0.00 C ATOM 1646 OE1 GLU A 97 9.689 9.922 -2.677 1.00 0.00 O ATOM 1647 OE2 GLU A 97 10.663 8.155 -3.534 1.00 0.00 O ATOM 0 H GLU A 97 6.152 7.105 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 97 6.167 6.760 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.420 7.852 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.192 6.307 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.418 7.188 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.556 8.660 -3.490 1.00 0.00 H new ATOM 1654 N ASP A 98 4.894 8.906 -0.322 1.00 0.00 N ATOM 1655 CA ASP A 98 4.505 10.076 0.484 1.00 0.00 C ATOM 1656 C ASP A 98 4.400 11.354 -0.372 1.00 0.00 C ATOM 1657 O ASP A 98 5.131 12.329 -0.212 1.00 0.00 O ATOM 1658 CB ASP A 98 5.458 10.121 1.690 1.00 0.00 C ATOM 1659 CG ASP A 98 5.505 11.421 2.487 1.00 0.00 C ATOM 1660 OD1 ASP A 98 4.454 11.848 3.012 1.00 0.00 O ATOM 1661 OD2 ASP A 98 6.633 11.898 2.786 1.00 0.00 O ATOM 0 H ASP A 98 4.253 8.120 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 98 3.492 9.997 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.181 9.316 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.465 9.905 1.334 1.00 0.00 H new ATOM 1666 N LYS A 99 3.480 11.309 -1.347 1.00 0.00 N ATOM 1667 CA LYS A 99 3.338 12.303 -2.417 1.00 0.00 C ATOM 1668 C LYS A 99 2.918 13.700 -1.966 1.00 0.00 C ATOM 1669 O LYS A 99 3.158 14.649 -2.723 1.00 0.00 O ATOM 1670 CB LYS A 99 2.322 11.805 -3.470 1.00 0.00 C ATOM 1671 CG LYS A 99 3.043 11.111 -4.629 1.00 0.00 C ATOM 1672 CD LYS A 99 2.103 10.672 -5.767 1.00 0.00 C ATOM 1673 CE LYS A 99 1.612 11.904 -6.529 1.00 0.00 C ATOM 1674 NZ LYS A 99 0.924 11.577 -7.794 1.00 0.00 N ATOM 0 H LYS A 99 2.794 10.557 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 99 4.342 12.405 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.619 11.114 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.740 12.646 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.797 11.786 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.570 10.237 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.626 9.997 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.255 10.121 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.933 12.470 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.462 12.552 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.617 12.455 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.575 11.062 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.094 10.983 -7.594 1.00 0.00 H new