USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 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 Set 1.1: A 71 ASN : amide:sc= 1.09 K(o=2.4,f=-6.8!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 132:sc= 1.27 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.288 K(o=0.29,f=-0.96) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -178:sc= -2.68 (180deg=-2.81) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00603) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0692) USER MOD Single : A 84 ASN : amide:sc= -3.42 K(o=-3.4,f=-8.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -171:sc= 0.906 USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 0.456 (180deg=0.331) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -10.057 0.496 4.441 1.00 0.00 N ATOM 177 CA GLU A 12 -8.674 0.878 4.212 1.00 0.00 C ATOM 178 C GLU A 12 -7.823 0.537 5.441 1.00 0.00 C ATOM 179 O GLU A 12 -6.729 0.007 5.278 1.00 0.00 O ATOM 180 CB GLU A 12 -8.637 2.360 3.805 1.00 0.00 C ATOM 181 CG GLU A 12 -9.123 2.507 2.346 1.00 0.00 C ATOM 182 CD GLU A 12 -9.876 3.794 1.991 1.00 0.00 C ATOM 183 OE1 GLU A 12 -9.921 4.765 2.777 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.455 3.787 0.877 1.00 0.00 O ATOM 0 HA GLU A 12 -8.233 0.312 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.270 2.947 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.624 2.750 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.256 2.430 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.771 1.661 2.118 1.00 0.00 H new ATOM 191 N SER A 13 -8.340 0.719 6.662 1.00 0.00 N ATOM 192 CA SER A 13 -7.658 0.314 7.890 1.00 0.00 C ATOM 193 C SER A 13 -7.500 -1.214 7.984 1.00 0.00 C ATOM 194 O SER A 13 -6.521 -1.692 8.565 1.00 0.00 O ATOM 195 CB SER A 13 -8.414 0.856 9.116 1.00 0.00 C ATOM 196 OG SER A 13 -7.574 1.667 9.923 1.00 0.00 O ATOM 0 H SER A 13 -9.248 1.154 6.823 1.00 0.00 H new ATOM 0 HA SER A 13 -6.655 0.740 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.276 1.436 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.797 0.024 9.707 1.00 0.00 H new ATOM 0 HG SER A 13 -8.081 1.999 10.693 1.00 0.00 H new ATOM 202 N GLU A 14 -8.430 -1.985 7.413 1.00 0.00 N ATOM 203 CA GLU A 14 -8.326 -3.438 7.327 1.00 0.00 C ATOM 204 C GLU A 14 -7.168 -3.825 6.397 1.00 0.00 C ATOM 205 O GLU A 14 -6.396 -4.732 6.709 1.00 0.00 O ATOM 206 CB GLU A 14 -9.669 -4.027 6.842 1.00 0.00 C ATOM 207 CG GLU A 14 -10.424 -4.737 7.969 1.00 0.00 C ATOM 208 CD GLU A 14 -11.653 -5.483 7.445 1.00 0.00 C ATOM 209 OE1 GLU A 14 -12.330 -4.985 6.511 1.00 0.00 O ATOM 210 OE2 GLU A 14 -12.004 -6.552 7.994 1.00 0.00 O ATOM 0 H GLU A 14 -9.282 -1.611 6.995 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.113 -3.853 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.290 -3.228 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.484 -4.730 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.757 -5.440 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.733 -4.006 8.717 1.00 0.00 H new ATOM 217 N ILE A 15 -7.045 -3.138 5.258 1.00 0.00 N ATOM 218 CA ILE A 15 -5.989 -3.357 4.269 1.00 0.00 C ATOM 219 C ILE A 15 -4.638 -2.883 4.833 1.00 0.00 C ATOM 220 O ILE A 15 -3.604 -3.481 4.529 1.00 0.00 O ATOM 221 CB ILE A 15 -6.384 -2.664 2.939 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.669 -3.315 2.366 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.262 -2.737 1.887 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.343 -2.490 1.269 1.00 0.00 C ATOM 0 H ILE A 15 -7.693 -2.396 4.993 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.873 -4.419 4.052 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.562 -1.612 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.420 -4.298 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.379 -3.471 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.586 -2.238 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.369 -2.244 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.035 -3.781 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.234 -3.010 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.625 -1.516 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.651 -2.355 0.438 1.00 0.00 H new ATOM 236 N GLN A 16 -4.634 -1.845 5.674 1.00 0.00 N ATOM 237 CA GLN A 16 -3.439 -1.242 6.227 1.00 0.00 C ATOM 238 C GLN A 16 -2.577 -2.292 6.943 1.00 0.00 C ATOM 239 O GLN A 16 -1.393 -2.440 6.627 1.00 0.00 O ATOM 240 CB GLN A 16 -3.858 -0.046 7.092 1.00 0.00 C ATOM 241 CG GLN A 16 -2.710 0.808 7.642 1.00 0.00 C ATOM 242 CD GLN A 16 -2.046 0.233 8.895 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.719 -0.323 9.770 1.00 0.00 O ATOM 244 NE2 GLN A 16 -0.734 0.365 9.002 1.00 0.00 N ATOM 0 H GLN A 16 -5.492 -1.395 5.992 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.789 -0.854 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.513 0.595 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.446 -0.416 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.954 0.925 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.090 1.804 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.206 0.829 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.250 0.003 9.824 1.00 0.00 H new ATOM 253 N LYS A 17 -3.166 -3.044 7.879 1.00 0.00 N ATOM 254 CA LYS A 17 -2.472 -4.066 8.658 1.00 0.00 C ATOM 255 C LYS A 17 -2.010 -5.230 7.800 1.00 0.00 C ATOM 256 O LYS A 17 -0.918 -5.748 8.007 1.00 0.00 O ATOM 257 CB LYS A 17 -3.430 -4.574 9.741 1.00 0.00 C ATOM 258 CG LYS A 17 -2.740 -4.733 11.102 1.00 0.00 C ATOM 259 CD LYS A 17 -2.187 -6.144 11.364 1.00 0.00 C ATOM 260 CE LYS A 17 -3.344 -7.063 11.764 1.00 0.00 C ATOM 261 NZ LYS A 17 -2.922 -8.451 12.034 1.00 0.00 N ATOM 0 H LYS A 17 -4.154 -2.956 8.118 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.580 -3.619 9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.265 -3.880 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.847 -5.533 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.922 -4.016 11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.450 -4.481 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.693 -6.527 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.438 -6.115 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.829 -6.659 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.088 -7.066 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.751 -9.021 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.484 -8.853 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.233 -8.459 12.813 1.00 0.00 H new ATOM 275 N LEU A 18 -2.849 -5.641 6.855 1.00 0.00 N ATOM 276 CA LEU A 18 -2.555 -6.714 5.902 1.00 0.00 C ATOM 277 C LEU A 18 -1.223 -6.471 5.197 1.00 0.00 C ATOM 278 O LEU A 18 -0.379 -7.363 5.133 1.00 0.00 O ATOM 279 CB LEU A 18 -3.682 -6.787 4.859 1.00 0.00 C ATOM 280 CG LEU A 18 -4.650 -7.974 4.956 1.00 0.00 C ATOM 281 CD1 LEU A 18 -5.018 -8.460 6.357 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.947 -7.533 4.294 1.00 0.00 C ATOM 0 H LEU A 18 -3.774 -5.231 6.725 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.487 -7.655 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.265 -5.869 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.226 -6.803 3.869 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.131 -8.810 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.707 -9.301 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.116 -8.776 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.494 -7.650 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.672 -8.346 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.345 -6.664 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.754 -7.273 3.253 1.00 0.00 H new ATOM 294 N LEU A 19 -1.045 -5.265 4.658 1.00 0.00 N ATOM 295 CA LEU A 19 0.177 -4.890 3.958 1.00 0.00 C ATOM 296 C LEU A 19 1.374 -4.891 4.916 1.00 0.00 C ATOM 297 O LEU A 19 2.488 -5.182 4.491 1.00 0.00 O ATOM 298 CB LEU A 19 -0.001 -3.503 3.328 1.00 0.00 C ATOM 299 CG LEU A 19 -0.989 -3.447 2.145 1.00 0.00 C ATOM 300 CD1 LEU A 19 -1.503 -2.015 1.969 1.00 0.00 C ATOM 301 CD2 LEU A 19 -0.317 -3.900 0.844 1.00 0.00 C ATOM 0 H LEU A 19 -1.745 -4.524 4.696 1.00 0.00 H new ATOM 0 HA LEU A 19 0.373 -5.620 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.341 -2.811 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.971 -3.148 2.987 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.818 -4.120 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.201 -1.979 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.011 -1.696 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.663 -1.349 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.036 -3.851 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.528 -3.247 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.036 -4.925 0.955 1.00 0.00 H new ATOM 313 N MET A 20 1.183 -4.569 6.196 1.00 0.00 N ATOM 314 CA MET A 20 2.260 -4.573 7.183 1.00 0.00 C ATOM 315 C MET A 20 2.694 -5.997 7.530 1.00 0.00 C ATOM 316 O MET A 20 3.891 -6.273 7.533 1.00 0.00 O ATOM 317 CB MET A 20 1.808 -3.825 8.443 1.00 0.00 C ATOM 318 CG MET A 20 1.825 -2.301 8.267 1.00 0.00 C ATOM 319 SD MET A 20 3.391 -1.502 8.722 1.00 0.00 S ATOM 320 CE MET A 20 4.232 -1.432 7.126 1.00 0.00 C ATOM 0 H MET A 20 0.276 -4.298 6.576 1.00 0.00 H new ATOM 0 HA MET A 20 3.123 -4.064 6.753 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.800 -4.144 8.708 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.458 -4.098 9.275 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.602 -2.067 7.226 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.025 -1.870 8.869 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.223 -0.997 7.256 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.328 -2.439 6.721 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.654 -0.817 6.437 1.00 0.00 H new ATOM 330 N GLU A 21 1.758 -6.910 7.787 1.00 0.00 N ATOM 331 CA GLU A 21 2.062 -8.329 7.973 1.00 0.00 C ATOM 332 C GLU A 21 2.807 -8.880 6.758 1.00 0.00 C ATOM 333 O GLU A 21 3.847 -9.525 6.908 1.00 0.00 O ATOM 334 CB GLU A 21 0.766 -9.117 8.234 1.00 0.00 C ATOM 335 CG GLU A 21 0.544 -9.385 9.736 1.00 0.00 C ATOM 336 CD GLU A 21 0.458 -10.867 10.144 1.00 0.00 C ATOM 337 OE1 GLU A 21 0.846 -11.782 9.378 1.00 0.00 O ATOM 338 OE2 GLU A 21 -0.104 -11.123 11.236 1.00 0.00 O ATOM 0 H GLU A 21 0.766 -6.687 7.872 1.00 0.00 H new ATOM 0 HA GLU A 21 2.711 -8.441 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.083 -8.561 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.805 -10.066 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.357 -8.920 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.377 -8.889 10.043 1.00 0.00 H new ATOM 345 N ALA A 22 2.323 -8.569 5.552 1.00 0.00 N ATOM 346 CA ALA A 22 3.012 -8.928 4.326 1.00 0.00 C ATOM 347 C ALA A 22 4.439 -8.366 4.335 1.00 0.00 C ATOM 348 O ALA A 22 5.374 -9.117 4.088 1.00 0.00 O ATOM 349 CB ALA A 22 2.196 -8.464 3.119 1.00 0.00 C ATOM 0 H ALA A 22 1.448 -8.065 5.407 1.00 0.00 H new ATOM 0 HA ALA A 22 3.104 -10.012 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.717 -8.736 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.217 -8.943 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.071 -7.382 3.159 1.00 0.00 H new ATOM 355 N LEU A 23 4.644 -7.085 4.656 1.00 0.00 N ATOM 356 CA LEU A 23 5.974 -6.477 4.738 1.00 0.00 C ATOM 357 C LEU A 23 6.882 -7.249 5.700 1.00 0.00 C ATOM 358 O LEU A 23 8.017 -7.564 5.344 1.00 0.00 O ATOM 359 CB LEU A 23 5.851 -4.994 5.148 1.00 0.00 C ATOM 360 CG LEU A 23 7.201 -4.318 5.435 1.00 0.00 C ATOM 361 CD1 LEU A 23 8.044 -4.265 4.166 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.017 -2.890 5.943 1.00 0.00 C ATOM 0 H LEU A 23 3.886 -6.437 4.868 1.00 0.00 H new ATOM 0 HA LEU A 23 6.438 -6.526 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.343 -4.448 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.223 -4.923 6.036 1.00 0.00 H new ATOM 0 HG LEU A 23 7.699 -4.911 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.998 -3.784 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.222 -5.278 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.516 -3.695 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.993 -2.444 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.490 -2.302 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.436 -2.904 6.865 1.00 0.00 H new ATOM 374 N GLN A 24 6.411 -7.579 6.902 1.00 0.00 N ATOM 375 CA GLN A 24 7.180 -8.345 7.876 1.00 0.00 C ATOM 376 C GLN A 24 7.583 -9.728 7.340 1.00 0.00 C ATOM 377 O GLN A 24 8.574 -10.296 7.805 1.00 0.00 O ATOM 378 CB GLN A 24 6.323 -8.515 9.140 1.00 0.00 C ATOM 379 CG GLN A 24 6.066 -7.214 9.916 1.00 0.00 C ATOM 380 CD GLN A 24 7.276 -6.739 10.714 1.00 0.00 C ATOM 381 OE1 GLN A 24 8.021 -7.532 11.296 1.00 0.00 O ATOM 382 NE2 GLN A 24 7.499 -5.442 10.785 1.00 0.00 N ATOM 0 H GLN A 24 5.480 -7.320 7.227 1.00 0.00 H new ATOM 0 HA GLN A 24 8.100 -7.802 8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.364 -8.950 8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.814 -9.228 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.772 -6.433 9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.227 -7.364 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.880 -4.791 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.291 -5.089 11.323 1.00 0.00 H new ATOM 391 N GLN A 25 6.863 -10.255 6.352 1.00 0.00 N ATOM 392 CA GLN A 25 7.082 -11.545 5.710 1.00 0.00 C ATOM 393 C GLN A 25 7.697 -11.403 4.308 1.00 0.00 C ATOM 394 O GLN A 25 7.891 -12.414 3.627 1.00 0.00 O ATOM 395 CB GLN A 25 5.722 -12.259 5.670 1.00 0.00 C ATOM 396 CG GLN A 25 5.328 -12.817 7.047 1.00 0.00 C ATOM 397 CD GLN A 25 5.591 -14.320 7.124 1.00 0.00 C ATOM 398 OE1 GLN A 25 6.720 -14.787 6.963 1.00 0.00 O ATOM 399 NE2 GLN A 25 4.555 -15.112 7.339 1.00 0.00 N ATOM 0 H GLN A 25 6.063 -9.761 5.956 1.00 0.00 H new ATOM 0 HA GLN A 25 7.806 -12.130 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.956 -11.563 5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.760 -13.073 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.893 -12.305 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.273 -12.619 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.626 -14.712 7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.685 -16.123 7.373 1.00 0.00 H new ATOM 408 N LEU A 26 7.994 -10.184 3.847 1.00 0.00 N ATOM 409 CA LEU A 26 8.498 -9.914 2.503 1.00 0.00 C ATOM 410 C LEU A 26 9.961 -10.332 2.382 1.00 0.00 C ATOM 411 O LEU A 26 10.341 -10.919 1.366 1.00 0.00 O ATOM 412 CB LEU A 26 8.295 -8.425 2.172 1.00 0.00 C ATOM 413 CG LEU A 26 8.937 -7.950 0.859 1.00 0.00 C ATOM 414 CD1 LEU A 26 8.482 -8.732 -0.375 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.592 -6.476 0.653 1.00 0.00 C ATOM 0 H LEU A 26 7.887 -9.342 4.412 1.00 0.00 H new ATOM 0 HA LEU A 26 7.939 -10.505 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.225 -8.222 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.699 -7.830 2.991 1.00 0.00 H new ATOM 0 HG LEU A 26 10.010 -8.115 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.980 -8.336 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.739 -9.784 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.403 -8.633 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.041 -6.124 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.510 -6.360 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.979 -5.892 1.488 1.00 0.00 H new ATOM 427 N ARG A 27 10.767 -10.103 3.424 1.00 0.00 N ATOM 428 CA ARG A 27 12.213 -10.338 3.494 1.00 0.00 C ATOM 429 C ARG A 27 13.002 -9.410 2.564 1.00 0.00 C ATOM 430 O ARG A 27 13.902 -8.729 3.066 1.00 0.00 O ATOM 431 CB ARG A 27 12.521 -11.845 3.368 1.00 0.00 C ATOM 432 CG ARG A 27 13.958 -12.252 3.713 1.00 0.00 C ATOM 433 CD ARG A 27 14.858 -12.228 2.481 1.00 0.00 C ATOM 434 NE ARG A 27 14.536 -13.310 1.531 1.00 0.00 N ATOM 435 CZ ARG A 27 14.724 -13.296 0.209 1.00 0.00 C ATOM 436 NH1 ARG A 27 15.112 -12.186 -0.409 1.00 0.00 N ATOM 437 NH2 ARG A 27 14.538 -14.414 -0.493 1.00 0.00 N ATOM 0 H ARG A 27 10.403 -9.724 4.298 1.00 0.00 H new ATOM 0 HA ARG A 27 12.577 -10.055 4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.840 -12.394 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.308 -12.158 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.357 -11.576 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.960 -13.252 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.758 -11.265 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.899 -12.319 2.792 1.00 0.00 H new ATOM 0 HE ARG A 27 14.127 -14.157 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.270 -11.332 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.252 -12.187 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.254 -15.272 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.680 -14.411 -1.503 1.00 0.00 H new ATOM 451 N ASP A 28 12.644 -9.325 1.276 1.00 0.00 N ATOM 452 CA ASP A 28 13.164 -8.368 0.281 1.00 0.00 C ATOM 453 C ASP A 28 14.665 -8.549 0.003 1.00 0.00 C ATOM 454 O ASP A 28 15.327 -9.356 0.666 1.00 0.00 O ATOM 455 CB ASP A 28 12.711 -6.923 0.608 1.00 0.00 C ATOM 456 CG ASP A 28 11.829 -6.252 -0.468 1.00 0.00 C ATOM 457 OD1 ASP A 28 11.615 -6.839 -1.556 1.00 0.00 O ATOM 458 OD2 ASP A 28 11.404 -5.108 -0.205 1.00 0.00 O ATOM 0 H ASP A 28 11.947 -9.953 0.875 1.00 0.00 H new ATOM 0 HA ASP A 28 12.710 -8.596 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.162 -6.936 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.597 -6.308 0.764 1.00 0.00 H new ATOM 463 N PRO A 29 15.220 -7.941 -1.062 1.00 0.00 N ATOM 464 CA PRO A 29 16.656 -7.908 -1.265 1.00 0.00 C ATOM 465 C PRO A 29 17.295 -7.016 -0.207 1.00 0.00 C ATOM 466 O PRO A 29 18.193 -7.468 0.505 1.00 0.00 O ATOM 467 CB PRO A 29 16.868 -7.356 -2.680 1.00 0.00 C ATOM 468 CG PRO A 29 15.594 -6.581 -2.995 1.00 0.00 C ATOM 469 CD PRO A 29 14.535 -7.173 -2.084 1.00 0.00 C ATOM 0 HA PRO A 29 17.117 -8.891 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.745 -6.710 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.028 -8.160 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.724 -5.515 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.317 -6.688 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.933 -6.384 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.854 -7.809 -2.650 1.00 0.00 H new ATOM 477 N ARG A 30 16.838 -5.762 -0.118 1.00 0.00 N ATOM 478 CA ARG A 30 17.327 -4.701 0.731 1.00 0.00 C ATOM 479 C ARG A 30 16.243 -3.636 0.790 1.00 0.00 C ATOM 480 O ARG A 30 16.270 -2.660 0.042 1.00 0.00 O ATOM 481 CB ARG A 30 18.627 -4.121 0.171 1.00 0.00 C ATOM 482 CG ARG A 30 19.834 -4.948 0.621 1.00 0.00 C ATOM 483 CD ARG A 30 21.117 -4.144 0.790 1.00 0.00 C ATOM 484 NE ARG A 30 21.997 -4.875 1.708 1.00 0.00 N ATOM 485 CZ ARG A 30 23.329 -4.892 1.713 1.00 0.00 C ATOM 486 NH1 ARG A 30 24.038 -4.073 0.941 1.00 0.00 N ATOM 487 NH2 ARG A 30 23.942 -5.757 2.510 1.00 0.00 N ATOM 0 H ARG A 30 16.053 -5.451 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 30 17.547 -5.077 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.581 -4.100 -0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.743 -3.090 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.595 -5.432 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.009 -5.740 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 30 21.606 -4.002 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.895 -3.152 1.184 1.00 0.00 H new ATOM 0 HE ARG A 30 21.536 -5.435 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.562 -3.412 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 30 25.057 -4.106 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.394 -6.386 3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.961 -5.793 2.535 1.00 0.00 H new ATOM 501 N LEU A 31 15.287 -3.852 1.679 1.00 0.00 N ATOM 502 CA LEU A 31 14.362 -2.853 2.179 1.00 0.00 C ATOM 503 C LEU A 31 14.513 -2.867 3.690 1.00 0.00 C ATOM 504 O LEU A 31 14.189 -3.855 4.350 1.00 0.00 O ATOM 505 CB LEU A 31 12.929 -3.161 1.726 1.00 0.00 C ATOM 506 CG LEU A 31 11.840 -2.489 2.586 1.00 0.00 C ATOM 507 CD1 LEU A 31 11.954 -0.958 2.604 1.00 0.00 C ATOM 508 CD2 LEU A 31 10.466 -2.982 2.128 1.00 0.00 C ATOM 0 H LEU A 31 15.129 -4.772 2.090 1.00 0.00 H new ATOM 0 HA LEU A 31 14.580 -1.860 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.809 -2.840 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.777 -4.240 1.745 1.00 0.00 H new ATOM 0 HG LEU A 31 11.984 -2.783 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.161 -0.541 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.923 -0.670 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.859 -0.574 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.691 -2.511 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.317 -2.723 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.410 -4.064 2.246 1.00 0.00 H new ATOM 520 N LYS A 32 15.048 -1.781 4.238 1.00 0.00 N ATOM 521 CA LYS A 32 15.162 -1.561 5.668 1.00 0.00 C ATOM 522 C LYS A 32 13.771 -1.318 6.265 1.00 0.00 C ATOM 523 O LYS A 32 13.319 -0.175 6.354 1.00 0.00 O ATOM 524 CB LYS A 32 16.134 -0.392 5.891 1.00 0.00 C ATOM 525 CG LYS A 32 17.568 -0.767 5.478 1.00 0.00 C ATOM 526 CD LYS A 32 18.597 0.261 5.956 1.00 0.00 C ATOM 527 CE LYS A 32 19.884 0.163 5.137 1.00 0.00 C ATOM 528 NZ LYS A 32 20.969 0.983 5.702 1.00 0.00 N ATOM 0 H LYS A 32 15.423 -1.012 3.682 1.00 0.00 H new ATOM 0 HA LYS A 32 15.564 -2.435 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.803 0.473 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.121 -0.101 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.818 -1.746 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.621 -0.853 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.182 1.265 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.818 0.097 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.204 -0.878 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.686 0.481 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.821 0.885 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.676 1.981 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.178 0.664 6.669 1.00 0.00 H new ATOM 542 N LYS A 33 13.042 -2.379 6.635 1.00 0.00 N ATOM 543 CA LYS A 33 11.653 -2.284 7.096 1.00 0.00 C ATOM 544 C LYS A 33 11.525 -1.547 8.423 1.00 0.00 C ATOM 545 O LYS A 33 10.436 -1.107 8.801 1.00 0.00 O ATOM 546 CB LYS A 33 11.026 -3.664 7.259 1.00 0.00 C ATOM 547 CG LYS A 33 11.336 -4.626 6.109 1.00 0.00 C ATOM 548 CD LYS A 33 10.493 -5.901 6.216 1.00 0.00 C ATOM 549 CE LYS A 33 11.273 -7.129 6.678 1.00 0.00 C ATOM 550 NZ LYS A 33 11.983 -6.931 7.960 1.00 0.00 N ATOM 0 H LYS A 33 13.403 -3.333 6.622 1.00 0.00 H new ATOM 0 HA LYS A 33 11.128 -1.719 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.377 -4.104 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.945 -3.553 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.139 -4.135 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.395 -4.884 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.672 -5.723 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.048 -6.112 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.586 -7.969 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.997 -7.400 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.463 -7.813 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.686 -6.172 7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.299 -6.668 8.698 1.00 0.00 H new ATOM 564 N ASP A 34 12.630 -1.426 9.142 1.00 0.00 N ATOM 565 CA ASP A 34 12.697 -0.754 10.436 1.00 0.00 C ATOM 566 C ASP A 34 12.599 0.763 10.242 1.00 0.00 C ATOM 567 O ASP A 34 12.408 1.505 11.201 1.00 0.00 O ATOM 568 CB ASP A 34 14.011 -1.084 11.157 1.00 0.00 C ATOM 569 CG ASP A 34 14.333 -2.572 11.329 1.00 0.00 C ATOM 570 OD1 ASP A 34 13.544 -3.460 10.929 1.00 0.00 O ATOM 571 OD2 ASP A 34 15.463 -2.861 11.790 1.00 0.00 O ATOM 0 H ASP A 34 13.528 -1.801 8.837 1.00 0.00 H new ATOM 0 HA ASP A 34 11.863 -1.105 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.829 -0.618 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.985 -0.623 12.144 1.00 0.00 H new ATOM 576 N PHE A 35 12.733 1.239 9.000 1.00 0.00 N ATOM 577 CA PHE A 35 12.780 2.641 8.621 1.00 0.00 C ATOM 578 C PHE A 35 11.661 2.927 7.621 1.00 0.00 C ATOM 579 O PHE A 35 11.864 3.651 6.653 1.00 0.00 O ATOM 580 CB PHE A 35 14.149 2.955 7.998 1.00 0.00 C ATOM 581 CG PHE A 35 15.396 2.612 8.797 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.403 2.586 10.206 1.00 0.00 C ATOM 583 CD2 PHE A 35 16.590 2.359 8.102 1.00 0.00 C ATOM 584 CE1 PHE A 35 16.576 2.244 10.899 1.00 0.00 C ATOM 585 CE2 PHE A 35 17.771 2.057 8.799 1.00 0.00 C ATOM 586 CZ PHE A 35 17.762 1.979 10.199 1.00 0.00 C ATOM 0 H PHE A 35 12.815 0.618 8.195 1.00 0.00 H new ATOM 0 HA PHE A 35 12.641 3.271 9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.209 2.430 7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.178 4.022 7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.505 2.829 10.754 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.600 2.397 7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 35 16.564 2.185 11.977 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.688 1.884 8.256 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.662 1.717 10.735 1.00 0.00 H new ATOM 596 N VAL A 36 10.475 2.356 7.794 1.00 0.00 N ATOM 597 CA VAL A 36 9.350 2.637 6.908 1.00 0.00 C ATOM 598 C VAL A 36 8.058 2.387 7.666 1.00 0.00 C ATOM 599 O VAL A 36 8.073 1.785 8.743 1.00 0.00 O ATOM 600 CB VAL A 36 9.509 1.829 5.605 1.00 0.00 C ATOM 601 CG1 VAL A 36 9.383 0.328 5.785 1.00 0.00 C ATOM 602 CG2 VAL A 36 8.586 2.332 4.492 1.00 0.00 C ATOM 0 H VAL A 36 10.266 1.694 8.541 1.00 0.00 H new ATOM 0 HA VAL A 36 9.322 3.682 6.599 1.00 0.00 H new ATOM 0 HB VAL A 36 10.539 2.007 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.507 -0.166 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.152 -0.022 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.399 0.091 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.736 1.730 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.548 2.250 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.816 3.375 4.272 1.00 0.00 H new ATOM 612 N THR A 37 6.939 2.856 7.137 1.00 0.00 N ATOM 613 CA THR A 37 5.643 2.276 7.425 1.00 0.00 C ATOM 614 C THR A 37 4.773 2.486 6.186 1.00 0.00 C ATOM 615 O THR A 37 5.149 3.214 5.255 1.00 0.00 O ATOM 616 CB THR A 37 5.046 2.874 8.717 1.00 0.00 C ATOM 617 OG1 THR A 37 3.965 2.082 9.160 1.00 0.00 O ATOM 618 CG2 THR A 37 4.562 4.313 8.533 1.00 0.00 C ATOM 0 H THR A 37 6.907 3.649 6.497 1.00 0.00 H new ATOM 0 HA THR A 37 5.714 1.207 7.624 1.00 0.00 H new ATOM 0 HB THR A 37 5.846 2.883 9.457 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.593 2.467 9.981 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.152 4.682 9.473 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.399 4.942 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.790 4.342 7.764 1.00 0.00 H new ATOM 626 N PHE A 38 3.593 1.881 6.215 1.00 0.00 N ATOM 627 CA PHE A 38 2.491 2.126 5.313 1.00 0.00 C ATOM 628 C PHE A 38 1.397 2.680 6.216 1.00 0.00 C ATOM 629 O PHE A 38 0.881 1.954 7.073 1.00 0.00 O ATOM 630 CB PHE A 38 2.051 0.825 4.639 1.00 0.00 C ATOM 631 CG PHE A 38 3.097 -0.024 3.944 1.00 0.00 C ATOM 632 CD1 PHE A 38 4.204 0.546 3.293 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.950 -1.422 3.966 1.00 0.00 C ATOM 634 CE1 PHE A 38 5.160 -0.278 2.673 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.886 -2.243 3.319 1.00 0.00 C ATOM 636 CZ PHE A 38 4.998 -1.674 2.676 1.00 0.00 C ATOM 0 H PHE A 38 3.374 1.167 6.910 1.00 0.00 H new ATOM 0 HA PHE A 38 2.745 2.810 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.573 0.205 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.287 1.076 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.321 1.619 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.113 -1.866 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.021 0.163 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.751 -3.315 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.724 -2.306 2.187 1.00 0.00 H new ATOM 646 N SER A 39 1.129 3.980 6.104 1.00 0.00 N ATOM 647 CA SER A 39 0.205 4.653 6.998 1.00 0.00 C ATOM 648 C SER A 39 -1.088 4.898 6.239 1.00 0.00 C ATOM 649 O SER A 39 -2.123 4.338 6.609 1.00 0.00 O ATOM 650 CB SER A 39 0.845 5.917 7.586 1.00 0.00 C ATOM 651 OG SER A 39 0.050 6.434 8.634 1.00 0.00 O ATOM 0 H SER A 39 1.544 4.586 5.397 1.00 0.00 H new ATOM 0 HA SER A 39 -0.035 4.036 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.843 5.686 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.962 6.669 6.806 1.00 0.00 H new ATOM 0 HG SER A 39 0.473 7.239 8.999 1.00 0.00 H new ATOM 657 N ARG A 40 -1.072 5.748 5.211 1.00 0.00 N ATOM 658 CA ARG A 40 -2.287 6.093 4.488 1.00 0.00 C ATOM 659 C ARG A 40 -2.520 5.064 3.378 1.00 0.00 C ATOM 660 O ARG A 40 -1.595 4.702 2.654 1.00 0.00 O ATOM 661 CB ARG A 40 -2.189 7.554 4.024 1.00 0.00 C ATOM 662 CG ARG A 40 -3.383 7.995 3.163 1.00 0.00 C ATOM 663 CD ARG A 40 -3.987 9.323 3.638 1.00 0.00 C ATOM 664 NE ARG A 40 -5.429 9.418 3.317 1.00 0.00 N ATOM 665 CZ ARG A 40 -6.444 9.428 4.198 1.00 0.00 C ATOM 666 NH1 ARG A 40 -6.213 9.400 5.508 1.00 0.00 N ATOM 667 NH2 ARG A 40 -7.706 9.456 3.781 1.00 0.00 N ATOM 0 H ARG A 40 -0.230 6.207 4.864 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.175 6.043 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.120 8.202 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.269 7.687 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.063 8.095 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.150 7.221 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.847 9.421 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.455 10.152 3.171 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.677 9.482 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.255 9.370 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.994 9.408 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.913 9.470 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.467 9.463 4.460 1.00 0.00 H new ATOM 681 N VAL A 41 -3.758 4.594 3.254 1.00 0.00 N ATOM 682 CA VAL A 41 -4.230 3.734 2.183 1.00 0.00 C ATOM 683 C VAL A 41 -5.562 4.335 1.733 1.00 0.00 C ATOM 684 O VAL A 41 -6.380 4.679 2.591 1.00 0.00 O ATOM 685 CB VAL A 41 -4.371 2.276 2.681 1.00 0.00 C ATOM 686 CG1 VAL A 41 -4.905 1.354 1.573 1.00 0.00 C ATOM 687 CG2 VAL A 41 -3.037 1.703 3.188 1.00 0.00 C ATOM 0 H VAL A 41 -4.489 4.815 3.930 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.533 3.687 1.346 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.080 2.311 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.992 0.337 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.885 1.705 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.217 1.365 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.187 0.678 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.305 1.715 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.672 2.309 4.017 1.00 0.00 H new ATOM 697 N GLU A 42 -5.795 4.480 0.428 1.00 0.00 N ATOM 698 CA GLU A 42 -7.047 4.974 -0.115 1.00 0.00 C ATOM 699 C GLU A 42 -7.433 4.202 -1.373 1.00 0.00 C ATOM 700 O GLU A 42 -6.701 4.180 -2.364 1.00 0.00 O ATOM 701 CB GLU A 42 -6.937 6.481 -0.378 1.00 0.00 C ATOM 702 CG GLU A 42 -7.496 7.251 0.835 1.00 0.00 C ATOM 703 CD GLU A 42 -8.104 8.614 0.523 1.00 0.00 C ATOM 704 OE1 GLU A 42 -7.690 9.313 -0.428 1.00 0.00 O ATOM 705 OE2 GLU A 42 -8.982 9.043 1.306 1.00 0.00 O ATOM 0 H GLU A 42 -5.104 4.252 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.843 4.815 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.897 6.757 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.491 6.746 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.256 6.635 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.692 7.388 1.558 1.00 0.00 H new ATOM 712 N LEU A 43 -8.584 3.530 -1.339 1.00 0.00 N ATOM 713 CA LEU A 43 -9.076 2.780 -2.479 1.00 0.00 C ATOM 714 C LEU A 43 -9.935 3.671 -3.363 1.00 0.00 C ATOM 715 O LEU A 43 -10.483 4.684 -2.922 1.00 0.00 O ATOM 716 CB LEU A 43 -9.836 1.531 -2.013 1.00 0.00 C ATOM 717 CG LEU A 43 -8.905 0.318 -1.883 1.00 0.00 C ATOM 718 CD1 LEU A 43 -7.947 0.420 -0.692 1.00 0.00 C ATOM 719 CD2 LEU A 43 -9.723 -0.970 -1.783 1.00 0.00 C ATOM 0 H LEU A 43 -9.194 3.494 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.229 2.441 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.310 1.731 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.633 1.304 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.292 0.301 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.316 -0.468 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.321 1.305 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.521 0.495 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.050 -1.822 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.370 -0.923 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.333 -1.084 -2.679 1.00 0.00 H new ATOM 731 N SER A 44 -10.029 3.263 -4.626 1.00 0.00 N ATOM 732 CA SER A 44 -10.661 3.982 -5.716 1.00 0.00 C ATOM 733 C SER A 44 -12.186 4.035 -5.597 1.00 0.00 C ATOM 734 O SER A 44 -12.787 3.415 -4.712 1.00 0.00 O ATOM 735 CB SER A 44 -10.262 3.292 -7.022 1.00 0.00 C ATOM 736 OG SER A 44 -10.103 4.248 -8.040 1.00 0.00 O ATOM 0 H SER A 44 -9.642 2.369 -4.928 1.00 0.00 H new ATOM 0 HA SER A 44 -10.321 5.017 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.333 2.739 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.024 2.567 -7.308 1.00 0.00 H new ATOM 0 HG SER A 44 -9.846 3.800 -8.873 1.00 0.00 H new ATOM 742 N LYS A 45 -12.810 4.714 -6.568 1.00 0.00 N ATOM 743 CA LYS A 45 -14.254 4.855 -6.716 1.00 0.00 C ATOM 744 C LYS A 45 -14.932 3.492 -6.638 1.00 0.00 C ATOM 745 O LYS A 45 -15.695 3.246 -5.708 1.00 0.00 O ATOM 746 CB LYS A 45 -14.575 5.580 -8.037 1.00 0.00 C ATOM 747 CG LYS A 45 -16.086 5.828 -8.231 1.00 0.00 C ATOM 748 CD LYS A 45 -16.472 7.293 -8.033 1.00 0.00 C ATOM 749 CE LYS A 45 -16.167 7.791 -6.620 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.157 9.262 -6.565 1.00 0.00 N ATOM 0 H LYS A 45 -12.294 5.200 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.645 5.459 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.049 6.534 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.198 4.989 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.376 5.512 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.645 5.211 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.936 7.908 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.536 7.416 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.913 7.404 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.200 7.406 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.947 9.572 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.428 9.629 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.088 9.626 -6.851 1.00 0.00 H new ATOM 764 N ASP A 46 -14.652 2.606 -7.594 1.00 0.00 N ATOM 765 CA ASP A 46 -15.211 1.253 -7.629 1.00 0.00 C ATOM 766 C ASP A 46 -14.273 0.278 -6.907 1.00 0.00 C ATOM 767 O ASP A 46 -14.273 -0.914 -7.189 1.00 0.00 O ATOM 768 CB ASP A 46 -15.492 0.837 -9.085 1.00 0.00 C ATOM 769 CG ASP A 46 -16.466 -0.346 -9.187 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.594 -0.224 -8.654 1.00 0.00 O ATOM 771 OD2 ASP A 46 -16.199 -1.310 -9.942 1.00 0.00 O ATOM 0 H ASP A 46 -14.025 2.808 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.164 1.232 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.902 1.688 -9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.553 0.572 -9.570 1.00 0.00 H new ATOM 776 N LYS A 47 -13.401 0.777 -6.015 1.00 0.00 N ATOM 777 CA LYS A 47 -12.363 0.017 -5.308 1.00 0.00 C ATOM 778 C LYS A 47 -11.445 -0.806 -6.225 1.00 0.00 C ATOM 779 O LYS A 47 -10.785 -1.730 -5.756 1.00 0.00 O ATOM 780 CB LYS A 47 -13.002 -0.820 -4.181 1.00 0.00 C ATOM 781 CG LYS A 47 -13.564 0.075 -3.065 1.00 0.00 C ATOM 782 CD LYS A 47 -13.920 -0.728 -1.807 1.00 0.00 C ATOM 783 CE LYS A 47 -15.207 -1.540 -1.973 1.00 0.00 C ATOM 784 NZ LYS A 47 -16.416 -0.725 -1.728 1.00 0.00 N ATOM 0 H LYS A 47 -13.402 1.764 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.685 0.742 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.802 -1.436 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.258 -1.499 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.831 0.841 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.452 0.592 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.098 -1.402 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.031 -0.046 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.247 -1.953 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.194 -2.384 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.263 -1.315 -1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.392 -0.352 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.444 0.066 -2.403 1.00 0.00 H new ATOM 798 N ARG A 48 -11.376 -0.493 -7.525 1.00 0.00 N ATOM 799 CA ARG A 48 -10.546 -1.223 -8.490 1.00 0.00 C ATOM 800 C ARG A 48 -9.057 -0.887 -8.378 1.00 0.00 C ATOM 801 O ARG A 48 -8.221 -1.633 -8.884 1.00 0.00 O ATOM 802 CB ARG A 48 -11.081 -0.994 -9.920 1.00 0.00 C ATOM 803 CG ARG A 48 -12.480 -1.595 -10.176 1.00 0.00 C ATOM 804 CD ARG A 48 -12.455 -3.123 -10.088 1.00 0.00 C ATOM 805 NE ARG A 48 -13.769 -3.767 -10.255 1.00 0.00 N ATOM 806 CZ ARG A 48 -14.596 -4.117 -9.256 1.00 0.00 C ATOM 807 NH1 ARG A 48 -14.541 -3.540 -8.061 1.00 0.00 N ATOM 808 NH2 ARG A 48 -15.490 -5.078 -9.451 1.00 0.00 N ATOM 0 H ARG A 48 -11.898 0.279 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.620 -2.284 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.117 0.078 -10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.377 -1.424 -10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.187 -1.198 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.834 -1.291 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.777 -3.507 -10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.044 -3.412 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.076 -3.963 -11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.855 -2.807 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.184 -3.830 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.546 -5.546 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.121 -5.348 -8.696 1.00 0.00 H new ATOM 822 N TYR A 49 -8.705 0.187 -7.675 1.00 0.00 N ATOM 823 CA TYR A 49 -7.333 0.598 -7.410 1.00 0.00 C ATOM 824 C TYR A 49 -7.215 0.846 -5.913 1.00 0.00 C ATOM 825 O TYR A 49 -8.232 1.094 -5.253 1.00 0.00 O ATOM 826 CB TYR A 49 -6.969 1.820 -8.275 1.00 0.00 C ATOM 827 CG TYR A 49 -7.028 1.476 -9.748 1.00 0.00 C ATOM 828 CD1 TYR A 49 -8.237 1.557 -10.467 1.00 0.00 C ATOM 829 CD2 TYR A 49 -5.901 0.889 -10.334 1.00 0.00 C ATOM 830 CE1 TYR A 49 -8.347 0.937 -11.725 1.00 0.00 C ATOM 831 CE2 TYR A 49 -6.004 0.260 -11.583 1.00 0.00 C ATOM 832 CZ TYR A 49 -7.242 0.237 -12.259 1.00 0.00 C ATOM 833 OH TYR A 49 -7.356 -0.458 -13.419 1.00 0.00 O ATOM 0 H TYR A 49 -9.393 0.816 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.614 -0.174 -7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.655 2.639 -8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.968 2.167 -8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.078 2.094 -10.053 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.950 0.920 -9.823 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.272 0.996 -12.280 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.137 -0.206 -12.027 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.496 -0.876 -13.636 1.00 0.00 H new ATOM 843 N ALA A 50 -5.997 0.730 -5.390 1.00 0.00 N ATOM 844 CA ALA A 50 -5.667 0.867 -3.982 1.00 0.00 C ATOM 845 C ALA A 50 -4.361 1.645 -3.886 1.00 0.00 C ATOM 846 O ALA A 50 -3.316 1.151 -4.307 1.00 0.00 O ATOM 847 CB ALA A 50 -5.550 -0.519 -3.346 1.00 0.00 C ATOM 0 H ALA A 50 -5.179 0.529 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.445 1.406 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.302 -0.415 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.499 -1.046 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.765 -1.085 -3.848 1.00 0.00 H new ATOM 853 N ASP A 51 -4.434 2.875 -3.390 1.00 0.00 N ATOM 854 CA ASP A 51 -3.312 3.797 -3.319 1.00 0.00 C ATOM 855 C ASP A 51 -2.674 3.618 -1.948 1.00 0.00 C ATOM 856 O ASP A 51 -3.371 3.787 -0.949 1.00 0.00 O ATOM 857 CB ASP A 51 -3.777 5.262 -3.538 1.00 0.00 C ATOM 858 CG ASP A 51 -4.177 5.585 -4.987 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.935 4.763 -5.902 1.00 0.00 O ATOM 860 OD2 ASP A 51 -4.796 6.645 -5.229 1.00 0.00 O ATOM 0 H ASP A 51 -5.299 3.266 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.589 3.584 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.626 5.464 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.975 5.935 -3.235 1.00 0.00 H new ATOM 865 N VAL A 52 -1.394 3.239 -1.880 1.00 0.00 N ATOM 866 CA VAL A 52 -0.687 2.926 -0.638 1.00 0.00 C ATOM 867 C VAL A 52 0.474 3.905 -0.482 1.00 0.00 C ATOM 868 O VAL A 52 1.367 3.972 -1.330 1.00 0.00 O ATOM 869 CB VAL A 52 -0.229 1.453 -0.621 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.555 1.124 0.663 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.428 0.497 -0.712 1.00 0.00 C ATOM 0 H VAL A 52 -0.808 3.139 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.354 3.042 0.216 1.00 0.00 H new ATOM 0 HB VAL A 52 0.417 1.318 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.863 0.079 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.437 1.761 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.080 1.299 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.073 -0.534 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.092 0.664 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.971 0.681 -1.639 1.00 0.00 H new ATOM 881 N TYR A 53 0.440 4.681 0.598 1.00 0.00 N ATOM 882 CA TYR A 53 1.368 5.753 0.891 1.00 0.00 C ATOM 883 C TYR A 53 2.444 5.197 1.832 1.00 0.00 C ATOM 884 O TYR A 53 2.183 4.827 2.983 1.00 0.00 O ATOM 885 CB TYR A 53 0.619 6.880 1.596 1.00 0.00 C ATOM 886 CG TYR A 53 -0.440 7.695 0.852 1.00 0.00 C ATOM 887 CD1 TYR A 53 -1.412 7.142 -0.015 1.00 0.00 C ATOM 888 CD2 TYR A 53 -0.452 9.084 1.072 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.361 7.970 -0.653 1.00 0.00 C ATOM 890 CE2 TYR A 53 -1.384 9.915 0.440 1.00 0.00 C ATOM 891 CZ TYR A 53 -2.341 9.369 -0.437 1.00 0.00 C ATOM 892 OH TYR A 53 -3.198 10.224 -1.054 1.00 0.00 O ATOM 0 H TYR A 53 -0.270 4.569 1.321 1.00 0.00 H new ATOM 0 HA TYR A 53 1.819 6.135 -0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.135 6.446 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.367 7.583 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.428 6.076 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.274 9.519 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.103 7.536 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.369 10.979 0.626 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.012 11.141 -0.762 1.00 0.00 H new ATOM 902 N VAL A 54 3.665 5.146 1.327 1.00 0.00 N ATOM 903 CA VAL A 54 4.845 4.578 1.972 1.00 0.00 C ATOM 904 C VAL A 54 5.721 5.710 2.516 1.00 0.00 C ATOM 905 O VAL A 54 6.206 6.551 1.756 1.00 0.00 O ATOM 906 CB VAL A 54 5.630 3.678 0.993 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.746 2.957 1.769 1.00 0.00 C ATOM 908 CG2 VAL A 54 4.730 2.651 0.280 1.00 0.00 C ATOM 0 H VAL A 54 3.875 5.521 0.402 1.00 0.00 H new ATOM 0 HA VAL A 54 4.531 3.948 2.804 1.00 0.00 H new ATOM 0 HB VAL A 54 6.053 4.314 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.308 2.318 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.416 3.694 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.305 2.348 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.334 2.045 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.257 2.006 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.962 3.174 -0.290 1.00 0.00 H new ATOM 918 N SER A 55 5.943 5.732 3.831 1.00 0.00 N ATOM 919 CA SER A 55 6.702 6.780 4.501 1.00 0.00 C ATOM 920 C SER A 55 8.083 6.238 4.908 1.00 0.00 C ATOM 921 O SER A 55 8.254 5.827 6.061 1.00 0.00 O ATOM 922 CB SER A 55 5.870 7.269 5.699 1.00 0.00 C ATOM 923 OG SER A 55 6.515 8.309 6.407 1.00 0.00 O ATOM 0 H SER A 55 5.595 5.013 4.465 1.00 0.00 H new ATOM 0 HA SER A 55 6.887 7.629 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.900 7.619 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.682 6.434 6.374 1.00 0.00 H new ATOM 0 HG SER A 55 5.953 8.591 7.158 1.00 0.00 H new ATOM 929 N PHE A 56 9.067 6.222 3.996 1.00 0.00 N ATOM 930 CA PHE A 56 10.434 5.797 4.329 1.00 0.00 C ATOM 931 C PHE A 56 11.105 6.798 5.282 1.00 0.00 C ATOM 932 O PHE A 56 10.857 8.003 5.204 1.00 0.00 O ATOM 933 CB PHE A 56 11.294 5.585 3.066 1.00 0.00 C ATOM 934 CG PHE A 56 12.510 4.710 3.322 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.304 3.356 3.649 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.824 5.231 3.308 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.374 2.557 4.080 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.896 4.418 3.726 1.00 0.00 C ATOM 939 CZ PHE A 56 14.665 3.100 4.156 1.00 0.00 C ATOM 0 H PHE A 56 8.941 6.499 3.022 1.00 0.00 H new ATOM 0 HA PHE A 56 10.357 4.836 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.682 5.130 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.622 6.554 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.315 2.929 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.005 6.244 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.204 1.526 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.902 4.810 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.480 2.507 4.544 1.00 0.00 H new ATOM 949 N LEU A 57 12.001 6.312 6.140 1.00 0.00 N ATOM 950 CA LEU A 57 12.676 7.025 7.230 1.00 0.00 C ATOM 951 C LEU A 57 14.147 7.272 6.887 1.00 0.00 C ATOM 952 O LEU A 57 14.998 7.460 7.758 1.00 0.00 O ATOM 953 CB LEU A 57 12.521 6.203 8.532 1.00 0.00 C ATOM 954 CG LEU A 57 12.121 7.018 9.769 1.00 0.00 C ATOM 955 CD1 LEU A 57 11.376 6.125 10.767 1.00 0.00 C ATOM 956 CD2 LEU A 57 13.354 7.593 10.470 1.00 0.00 C ATOM 0 H LEU A 57 12.298 5.337 6.090 1.00 0.00 H new ATOM 0 HA LEU A 57 12.218 8.003 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.772 5.428 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.464 5.696 8.738 1.00 0.00 H new ATOM 0 HG LEU A 57 11.480 7.834 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.096 6.712 11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.478 5.724 10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.023 5.303 11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.042 8.166 11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.007 6.779 10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.893 8.245 9.782 1.00 0.00 H new ATOM 968 N GLY A 58 14.446 7.294 5.599 1.00 0.00 N ATOM 969 CA GLY A 58 15.722 7.681 5.029 1.00 0.00 C ATOM 970 C GLY A 58 15.589 9.055 4.405 1.00 0.00 C ATOM 971 O GLY A 58 14.612 9.776 4.633 1.00 0.00 O ATOM 0 H GLY A 58 13.767 7.028 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.491 7.691 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.034 6.955 4.278 1.00 0.00 H new ATOM 975 N THR A 59 16.590 9.399 3.616 1.00 0.00 N ATOM 976 CA THR A 59 16.611 10.582 2.773 1.00 0.00 C ATOM 977 C THR A 59 15.567 10.433 1.658 1.00 0.00 C ATOM 978 O THR A 59 15.135 9.315 1.370 1.00 0.00 O ATOM 979 CB THR A 59 18.045 10.755 2.222 1.00 0.00 C ATOM 980 OG1 THR A 59 18.706 9.503 2.102 1.00 0.00 O ATOM 981 CG2 THR A 59 18.856 11.590 3.213 1.00 0.00 C ATOM 0 H THR A 59 17.442 8.843 3.541 1.00 0.00 H new ATOM 0 HA THR A 59 16.350 11.478 3.336 1.00 0.00 H new ATOM 0 HB THR A 59 17.973 11.230 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.610 9.643 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.870 11.719 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 59 18.387 12.566 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.890 11.081 4.176 1.00 0.00 H new ATOM 989 N PRO A 60 15.176 11.522 0.978 1.00 0.00 N ATOM 990 CA PRO A 60 14.231 11.450 -0.126 1.00 0.00 C ATOM 991 C PRO A 60 14.823 10.723 -1.337 1.00 0.00 C ATOM 992 O PRO A 60 14.076 10.100 -2.092 1.00 0.00 O ATOM 993 CB PRO A 60 13.878 12.899 -0.446 1.00 0.00 C ATOM 994 CG PRO A 60 15.101 13.688 0.012 1.00 0.00 C ATOM 995 CD PRO A 60 15.598 12.890 1.212 1.00 0.00 C ATOM 0 HA PRO A 60 13.346 10.873 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.689 13.038 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.978 13.216 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.857 13.751 -0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.841 14.710 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 60 16.682 12.955 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.177 13.276 2.140 1.00 0.00 H new ATOM 1003 N GLU A 61 16.144 10.796 -1.516 1.00 0.00 N ATOM 1004 CA GLU A 61 16.878 10.111 -2.571 1.00 0.00 C ATOM 1005 C GLU A 61 16.730 8.598 -2.381 1.00 0.00 C ATOM 1006 O GLU A 61 16.379 7.880 -3.314 1.00 0.00 O ATOM 1007 CB GLU A 61 18.355 10.550 -2.505 1.00 0.00 C ATOM 1008 CG GLU A 61 19.015 10.667 -3.880 1.00 0.00 C ATOM 1009 CD GLU A 61 18.610 11.964 -4.581 1.00 0.00 C ATOM 1010 OE1 GLU A 61 17.558 11.989 -5.258 1.00 0.00 O ATOM 1011 OE2 GLU A 61 19.331 12.977 -4.407 1.00 0.00 O ATOM 0 H GLU A 61 16.747 11.352 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 61 16.484 10.368 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.418 11.512 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.913 9.834 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.099 10.634 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.731 9.814 -4.496 1.00 0.00 H new ATOM 1018 N GLU A 62 16.951 8.129 -1.150 1.00 0.00 N ATOM 1019 CA GLU A 62 16.741 6.747 -0.745 1.00 0.00 C ATOM 1020 C GLU A 62 15.270 6.374 -0.858 1.00 0.00 C ATOM 1021 O GLU A 62 14.953 5.301 -1.359 1.00 0.00 O ATOM 1022 CB GLU A 62 17.197 6.576 0.710 1.00 0.00 C ATOM 1023 CG GLU A 62 18.677 6.200 0.805 1.00 0.00 C ATOM 1024 CD GLU A 62 18.834 4.734 1.193 1.00 0.00 C ATOM 1025 OE1 GLU A 62 18.603 4.425 2.384 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.273 3.896 0.372 1.00 0.00 O ATOM 0 H GLU A 62 17.290 8.720 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 62 17.319 6.095 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.022 7.503 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.595 5.805 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.166 6.383 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 62 19.172 6.832 1.542 1.00 0.00 H new ATOM 1033 N ARG A 63 14.365 7.236 -0.383 1.00 0.00 N ATOM 1034 CA ARG A 63 12.935 6.964 -0.363 1.00 0.00 C ATOM 1035 C ARG A 63 12.453 6.571 -1.758 1.00 0.00 C ATOM 1036 O ARG A 63 11.696 5.607 -1.851 1.00 0.00 O ATOM 1037 CB ARG A 63 12.193 8.176 0.228 1.00 0.00 C ATOM 1038 CG ARG A 63 10.677 7.963 0.291 1.00 0.00 C ATOM 1039 CD ARG A 63 9.931 9.120 0.982 1.00 0.00 C ATOM 1040 NE ARG A 63 9.763 10.271 0.085 1.00 0.00 N ATOM 1041 CZ ARG A 63 8.936 11.311 0.251 1.00 0.00 C ATOM 1042 NH1 ARG A 63 8.369 11.562 1.430 1.00 0.00 N ATOM 1043 NH2 ARG A 63 8.710 12.121 -0.773 1.00 0.00 N ATOM 0 H ARG A 63 14.613 8.148 0.000 1.00 0.00 H new ATOM 0 HA ARG A 63 12.716 6.113 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.571 8.375 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.408 9.059 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.291 7.843 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.469 7.035 0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.953 8.774 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.481 9.429 1.871 1.00 0.00 H new ATOM 0 HE ARG A 63 10.339 10.279 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.562 10.957 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.742 12.360 1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.163 11.947 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.083 12.918 -0.664 1.00 0.00 H new ATOM 1057 N LYS A 64 12.910 7.254 -2.812 1.00 0.00 N ATOM 1058 CA LYS A 64 12.525 6.939 -4.187 1.00 0.00 C ATOM 1059 C LYS A 64 12.897 5.498 -4.541 1.00 0.00 C ATOM 1060 O LYS A 64 12.063 4.796 -5.111 1.00 0.00 O ATOM 1061 CB LYS A 64 13.239 7.884 -5.171 1.00 0.00 C ATOM 1062 CG LYS A 64 12.773 9.345 -5.137 1.00 0.00 C ATOM 1063 CD LYS A 64 13.831 10.306 -5.694 1.00 0.00 C ATOM 1064 CE LYS A 64 13.416 11.770 -5.491 1.00 0.00 C ATOM 1065 NZ LYS A 64 12.442 12.229 -6.502 1.00 0.00 N ATOM 0 H LYS A 64 13.556 8.039 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 64 11.445 7.065 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.309 7.857 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.101 7.500 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.854 9.445 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.536 9.625 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.786 10.125 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.979 10.112 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.985 11.887 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.302 12.404 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.195 13.223 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.860 12.144 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.584 11.644 -6.448 1.00 0.00 H new ATOM 1079 N GLU A 65 14.118 5.057 -4.205 1.00 0.00 N ATOM 1080 CA GLU A 65 14.637 3.719 -4.509 1.00 0.00 C ATOM 1081 C GLU A 65 13.687 2.648 -3.965 1.00 0.00 C ATOM 1082 O GLU A 65 13.427 1.650 -4.639 1.00 0.00 O ATOM 1083 CB GLU A 65 16.069 3.577 -3.933 1.00 0.00 C ATOM 1084 CG GLU A 65 16.801 2.270 -4.295 1.00 0.00 C ATOM 1085 CD GLU A 65 18.210 2.166 -3.674 1.00 0.00 C ATOM 1086 OE1 GLU A 65 19.029 3.104 -3.826 1.00 0.00 O ATOM 1087 OE2 GLU A 65 18.572 1.103 -3.106 1.00 0.00 O ATOM 0 H GLU A 65 14.788 5.638 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 65 14.695 3.579 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.668 4.418 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.015 3.654 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.202 1.422 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.883 2.196 -5.379 1.00 0.00 H new ATOM 1094 N THR A 66 13.131 2.870 -2.772 1.00 0.00 N ATOM 1095 CA THR A 66 12.267 1.896 -2.117 1.00 0.00 C ATOM 1096 C THR A 66 10.984 1.631 -2.912 1.00 0.00 C ATOM 1097 O THR A 66 10.399 0.553 -2.790 1.00 0.00 O ATOM 1098 CB THR A 66 11.949 2.330 -0.674 1.00 0.00 C ATOM 1099 OG1 THR A 66 10.989 3.372 -0.602 1.00 0.00 O ATOM 1100 CG2 THR A 66 13.184 2.824 0.076 1.00 0.00 C ATOM 0 H THR A 66 13.269 3.728 -2.238 1.00 0.00 H new ATOM 0 HA THR A 66 12.814 0.954 -2.079 1.00 0.00 H new ATOM 0 HB THR A 66 11.554 1.425 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.279 4.123 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.902 3.117 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.925 2.026 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.607 3.682 -0.446 1.00 0.00 H new ATOM 1108 N VAL A 67 10.516 2.601 -3.703 1.00 0.00 N ATOM 1109 CA VAL A 67 9.241 2.509 -4.400 1.00 0.00 C ATOM 1110 C VAL A 67 9.345 1.465 -5.511 1.00 0.00 C ATOM 1111 O VAL A 67 8.392 0.718 -5.728 1.00 0.00 O ATOM 1112 CB VAL A 67 8.804 3.902 -4.902 1.00 0.00 C ATOM 1113 CG1 VAL A 67 7.349 3.903 -5.398 1.00 0.00 C ATOM 1114 CG2 VAL A 67 8.848 4.933 -3.777 1.00 0.00 C ATOM 0 H VAL A 67 11.017 3.473 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 67 8.458 2.174 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 67 9.495 4.149 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.083 4.902 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.245 3.196 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.687 3.611 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.535 5.904 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.176 4.626 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.864 5.006 -3.390 1.00 0.00 H new ATOM 1124 N GLU A 68 10.509 1.343 -6.156 1.00 0.00 N ATOM 1125 CA GLU A 68 10.718 0.355 -7.205 1.00 0.00 C ATOM 1126 C GLU A 68 10.826 -1.041 -6.604 1.00 0.00 C ATOM 1127 O GLU A 68 10.232 -1.976 -7.136 1.00 0.00 O ATOM 1128 CB GLU A 68 11.951 0.713 -8.044 1.00 0.00 C ATOM 1129 CG GLU A 68 11.632 1.989 -8.829 1.00 0.00 C ATOM 1130 CD GLU A 68 12.613 2.284 -9.956 1.00 0.00 C ATOM 1131 OE1 GLU A 68 13.767 2.679 -9.691 1.00 0.00 O ATOM 1132 OE2 GLU A 68 12.189 2.237 -11.137 1.00 0.00 O ATOM 0 H GLU A 68 11.325 1.925 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 68 9.857 0.360 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.818 0.867 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.199 -0.102 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.629 1.905 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.621 2.834 -8.140 1.00 0.00 H new ATOM 1139 N ILE A 69 11.514 -1.175 -5.467 1.00 0.00 N ATOM 1140 CA ILE A 69 11.561 -2.423 -4.709 1.00 0.00 C ATOM 1141 C ILE A 69 10.119 -2.840 -4.342 1.00 0.00 C ATOM 1142 O ILE A 69 9.746 -3.998 -4.540 1.00 0.00 O ATOM 1143 CB ILE A 69 12.519 -2.277 -3.496 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.948 -1.879 -3.940 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.569 -3.577 -2.675 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.961 -1.728 -2.795 1.00 0.00 C ATOM 0 H ILE A 69 12.054 -0.418 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 69 11.977 -3.234 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 69 12.123 -1.478 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.319 -2.630 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.894 -0.937 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.247 -3.449 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.571 -3.813 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.925 -4.392 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.932 -1.448 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.620 -0.955 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.051 -2.674 -2.261 1.00 0.00 H new ATOM 1158 N LEU A 70 9.283 -1.906 -3.872 1.00 0.00 N ATOM 1159 CA LEU A 70 7.878 -2.176 -3.560 1.00 0.00 C ATOM 1160 C LEU A 70 7.112 -2.616 -4.809 1.00 0.00 C ATOM 1161 O LEU A 70 6.321 -3.558 -4.768 1.00 0.00 O ATOM 1162 CB LEU A 70 7.181 -0.928 -2.973 1.00 0.00 C ATOM 1163 CG LEU A 70 6.728 -1.011 -1.507 1.00 0.00 C ATOM 1164 CD1 LEU A 70 6.087 -2.341 -1.109 1.00 0.00 C ATOM 1165 CD2 LEU A 70 7.876 -0.787 -0.536 1.00 0.00 C ATOM 0 H LEU A 70 9.564 -0.941 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 70 7.869 -2.977 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.861 -0.082 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.307 -0.707 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 70 5.981 -0.220 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.800 -2.306 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.203 -2.516 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.801 -3.150 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.506 -0.855 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.642 -1.546 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.305 0.201 -0.701 1.00 0.00 H new ATOM 1177 N ASN A 71 7.307 -1.908 -5.922 1.00 0.00 N ATOM 1178 CA ASN A 71 6.580 -2.159 -7.159 1.00 0.00 C ATOM 1179 C ASN A 71 6.984 -3.470 -7.818 1.00 0.00 C ATOM 1180 O ASN A 71 6.177 -4.066 -8.531 1.00 0.00 O ATOM 1181 CB ASN A 71 6.758 -0.995 -8.137 1.00 0.00 C ATOM 1182 CG ASN A 71 5.539 -0.088 -8.061 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.431 -0.515 -8.376 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.690 1.137 -7.588 1.00 0.00 N ATOM 0 H ASN A 71 7.977 -1.142 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 71 5.526 -2.244 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.660 -0.434 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.883 -1.373 -9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.879 1.745 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.618 1.474 -7.332 1.00 0.00 H new ATOM 1191 N ARG A 72 8.205 -3.936 -7.581 1.00 0.00 N ATOM 1192 CA ARG A 72 8.618 -5.316 -7.818 1.00 0.00 C ATOM 1193 C ARG A 72 7.835 -6.253 -6.905 1.00 0.00 C ATOM 1194 O ARG A 72 7.188 -7.171 -7.404 1.00 0.00 O ATOM 1195 CB ARG A 72 10.141 -5.469 -7.647 1.00 0.00 C ATOM 1196 CG ARG A 72 10.872 -4.902 -8.871 1.00 0.00 C ATOM 1197 CD ARG A 72 12.387 -5.159 -8.840 1.00 0.00 C ATOM 1198 NE ARG A 72 12.986 -4.911 -10.164 1.00 0.00 N ATOM 1199 CZ ARG A 72 12.775 -5.648 -11.262 1.00 0.00 C ATOM 1200 NH1 ARG A 72 12.186 -6.834 -11.185 1.00 0.00 N ATOM 1201 NH2 ARG A 72 13.128 -5.196 -12.457 1.00 0.00 N ATOM 0 H ARG A 72 8.954 -3.351 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 72 8.391 -5.589 -8.848 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.467 -4.949 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.396 -6.521 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.453 -5.345 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.693 -3.828 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.855 -4.513 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.580 -6.188 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 72 13.613 -4.111 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.887 -7.197 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.033 -7.383 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.565 -4.279 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.963 -5.766 -13.287 1.00 0.00 H new ATOM 1215 N ALA A 73 7.812 -6.010 -5.594 1.00 0.00 N ATOM 1216 CA ALA A 73 7.106 -6.841 -4.620 1.00 0.00 C ATOM 1217 C ALA A 73 5.565 -6.857 -4.762 1.00 0.00 C ATOM 1218 O ALA A 73 4.906 -7.610 -4.044 1.00 0.00 O ATOM 1219 CB ALA A 73 7.521 -6.402 -3.211 1.00 0.00 C ATOM 0 H ALA A 73 8.293 -5.215 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 73 7.402 -7.872 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.002 -7.013 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.598 -6.526 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.258 -5.354 -3.064 1.00 0.00 H new ATOM 1225 N LYS A 74 4.955 -6.077 -5.668 1.00 0.00 N ATOM 1226 CA LYS A 74 3.502 -5.925 -5.829 1.00 0.00 C ATOM 1227 C LYS A 74 2.740 -7.252 -5.783 1.00 0.00 C ATOM 1228 O LYS A 74 1.738 -7.337 -5.071 1.00 0.00 O ATOM 1229 CB LYS A 74 3.202 -5.190 -7.156 1.00 0.00 C ATOM 1230 CG LYS A 74 2.530 -3.811 -7.011 1.00 0.00 C ATOM 1231 CD LYS A 74 1.390 -3.585 -8.031 1.00 0.00 C ATOM 1232 CE LYS A 74 1.424 -2.232 -8.762 1.00 0.00 C ATOM 1233 NZ LYS A 74 2.584 -2.105 -9.665 1.00 0.00 N ATOM 0 H LYS A 74 5.482 -5.513 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 74 3.151 -5.340 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.137 -5.064 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.560 -5.825 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.132 -3.711 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.282 -3.032 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.425 -4.382 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.436 -3.675 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.506 -2.110 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.450 -1.427 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.266 -1.758 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.267 -1.434 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.038 -3.034 -9.780 1.00 0.00 H new ATOM 1247 N GLY A 75 3.172 -8.266 -6.534 1.00 0.00 N ATOM 1248 CA GLY A 75 2.470 -9.537 -6.629 1.00 0.00 C ATOM 1249 C GLY A 75 2.388 -10.256 -5.286 1.00 0.00 C ATOM 1250 O GLY A 75 1.313 -10.741 -4.922 1.00 0.00 O ATOM 0 H GLY A 75 4.023 -8.224 -7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.463 -9.365 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.978 -10.177 -7.351 1.00 0.00 H new ATOM 1254 N PHE A 76 3.494 -10.291 -4.537 1.00 0.00 N ATOM 1255 CA PHE A 76 3.580 -10.865 -3.196 1.00 0.00 C ATOM 1256 C PHE A 76 2.566 -10.189 -2.267 1.00 0.00 C ATOM 1257 O PHE A 76 1.825 -10.866 -1.552 1.00 0.00 O ATOM 1258 CB PHE A 76 5.027 -10.729 -2.682 1.00 0.00 C ATOM 1259 CG PHE A 76 5.181 -10.862 -1.183 1.00 0.00 C ATOM 1260 CD1 PHE A 76 5.016 -9.731 -0.362 1.00 0.00 C ATOM 1261 CD2 PHE A 76 5.479 -12.109 -0.605 1.00 0.00 C ATOM 1262 CE1 PHE A 76 5.089 -9.859 1.029 1.00 0.00 C ATOM 1263 CE2 PHE A 76 5.566 -12.229 0.792 1.00 0.00 C ATOM 1264 CZ PHE A 76 5.341 -11.112 1.610 1.00 0.00 C ATOM 0 H PHE A 76 4.382 -9.907 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 76 3.329 -11.925 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.643 -11.488 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.417 -9.759 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.833 -8.764 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.641 -12.972 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.951 -8.992 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.807 -13.183 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.362 -11.216 2.685 1.00 0.00 H new ATOM 1274 N PHE A 77 2.496 -8.855 -2.296 1.00 0.00 N ATOM 1275 CA PHE A 77 1.525 -8.127 -1.490 1.00 0.00 C ATOM 1276 C PHE A 77 0.104 -8.490 -1.909 1.00 0.00 C ATOM 1277 O PHE A 77 -0.703 -8.885 -1.068 1.00 0.00 O ATOM 1278 CB PHE A 77 1.752 -6.613 -1.580 1.00 0.00 C ATOM 1279 CG PHE A 77 2.920 -6.145 -0.743 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.774 -6.041 0.651 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.151 -5.823 -1.339 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.852 -5.622 1.443 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.229 -5.411 -0.540 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.079 -5.298 0.851 1.00 0.00 C ATOM 0 H PHE A 77 3.099 -8.264 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 77 1.662 -8.420 -0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.923 -6.337 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.849 -6.095 -1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.829 -6.285 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.268 -5.892 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.736 -5.549 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.179 -5.180 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.905 -4.963 1.461 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.221 -8.321 -3.192 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.593 -8.362 -3.681 1.00 0.00 C ATOM 1296 C ARG A 78 -2.185 -9.766 -3.554 1.00 0.00 C ATOM 1297 O ARG A 78 -3.391 -9.882 -3.320 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.604 -7.836 -5.128 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.018 -7.638 -5.688 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.031 -7.032 -7.096 1.00 0.00 C ATOM 1301 NE ARG A 78 -2.265 -7.823 -8.075 1.00 0.00 N ATOM 1302 CZ ARG A 78 -2.111 -7.513 -9.368 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -2.743 -6.471 -9.900 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -1.295 -8.244 -10.113 1.00 0.00 N ATOM 0 H ARG A 78 0.469 -8.151 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.232 -7.722 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.069 -6.887 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.062 -8.534 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.531 -8.599 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.581 -6.990 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.062 -6.944 -7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.622 -6.023 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.816 -8.676 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.355 -5.896 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.616 -6.247 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.794 -9.031 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.167 -8.020 -11.100 1.00 0.00 H new ATOM 1318 N THR A 79 -1.378 -10.822 -3.681 1.00 0.00 N ATOM 1319 CA THR A 79 -1.871 -12.182 -3.505 1.00 0.00 C ATOM 1320 C THR A 79 -2.298 -12.447 -2.063 1.00 0.00 C ATOM 1321 O THR A 79 -3.341 -13.060 -1.844 1.00 0.00 O ATOM 1322 CB THR A 79 -0.947 -13.206 -4.153 1.00 0.00 C ATOM 1323 OG1 THR A 79 -1.625 -14.426 -4.372 1.00 0.00 O ATOM 1324 CG2 THR A 79 0.233 -13.464 -3.259 1.00 0.00 C ATOM 0 H THR A 79 -0.385 -10.758 -3.904 1.00 0.00 H new ATOM 0 HA THR A 79 -2.800 -12.305 -4.062 1.00 0.00 H new ATOM 0 HB THR A 79 -0.614 -12.804 -5.110 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.015 -15.069 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.891 -14.197 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.780 -12.534 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.114 -13.848 -2.300 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.567 -11.909 -1.082 1.00 0.00 N ATOM 1333 CA PHE A 80 -1.949 -12.056 0.316 1.00 0.00 C ATOM 1334 C PHE A 80 -3.332 -11.454 0.538 1.00 0.00 C ATOM 1335 O PHE A 80 -4.171 -12.075 1.173 1.00 0.00 O ATOM 1336 CB PHE A 80 -0.927 -11.412 1.261 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.338 -11.529 2.718 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -1.586 -12.799 3.277 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -1.538 -10.374 3.500 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -2.058 -12.913 4.595 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -1.973 -10.494 4.830 1.00 0.00 C ATOM 1342 CZ PHE A 80 -2.254 -11.759 5.369 1.00 0.00 C ATOM 0 H PHE A 80 -0.713 -11.372 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.974 -13.121 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.044 -11.886 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.808 -10.360 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.412 -13.688 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.357 -9.397 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.270 -13.887 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.092 -9.610 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.622 -11.844 6.381 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.614 -10.270 -0.007 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.938 -9.657 0.129 1.00 0.00 C ATOM 1354 C ILE A 81 -5.985 -10.572 -0.520 1.00 0.00 C ATOM 1355 O ILE A 81 -7.059 -10.771 0.027 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.973 -8.235 -0.497 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.630 -7.488 -0.327 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -6.143 -7.410 0.064 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -3.634 -5.998 -0.665 1.00 0.00 C ATOM 0 H ILE A 81 -2.947 -9.717 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.167 -9.542 1.188 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.132 -8.363 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.304 -7.603 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.885 -7.978 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.142 -6.420 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.084 -7.912 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.034 -7.312 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.637 -5.586 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.921 -5.862 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.346 -5.481 -0.022 1.00 0.00 H new ATOM 1371 N ALA A 82 -5.682 -11.211 -1.649 1.00 0.00 N ATOM 1372 CA ALA A 82 -6.629 -12.141 -2.245 1.00 0.00 C ATOM 1373 C ALA A 82 -6.847 -13.419 -1.415 1.00 0.00 C ATOM 1374 O ALA A 82 -7.757 -14.180 -1.739 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.194 -12.470 -3.666 1.00 0.00 C ATOM 0 H ALA A 82 -4.805 -11.103 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.599 -11.644 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.904 -13.167 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.163 -11.555 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.203 -12.924 -3.647 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.067 -13.698 -0.365 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.400 -14.745 0.605 1.00 0.00 C ATOM 1383 C LYS A 83 -7.560 -14.295 1.494 1.00 0.00 C ATOM 1384 O LYS A 83 -8.437 -15.100 1.812 1.00 0.00 O ATOM 1385 CB LYS A 83 -5.156 -15.083 1.446 1.00 0.00 C ATOM 1386 CG LYS A 83 -5.433 -16.112 2.542 1.00 0.00 C ATOM 1387 CD LYS A 83 -4.145 -16.597 3.214 1.00 0.00 C ATOM 1388 CE LYS A 83 -4.410 -17.268 4.578 1.00 0.00 C ATOM 1389 NZ LYS A 83 -5.508 -18.263 4.554 1.00 0.00 N ATOM 0 H LYS A 83 -5.195 -13.209 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.715 -15.643 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.373 -15.463 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.774 -14.170 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.090 -15.674 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.961 -16.964 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.639 -17.304 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.470 -15.752 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.496 -17.758 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.647 -16.497 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.550 -18.755 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.412 -17.779 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.334 -18.954 3.797 1.00 0.00 H new ATOM 1403 N ASN A 84 -7.516 -13.043 1.955 1.00 0.00 N ATOM 1404 CA ASN A 84 -8.427 -12.463 2.932 1.00 0.00 C ATOM 1405 C ASN A 84 -9.665 -11.856 2.262 1.00 0.00 C ATOM 1406 O ASN A 84 -10.781 -12.288 2.549 1.00 0.00 O ATOM 1407 CB ASN A 84 -7.684 -11.464 3.844 1.00 0.00 C ATOM 1408 CG ASN A 84 -6.734 -10.532 3.156 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -7.135 -9.595 2.485 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -5.449 -10.804 3.335 1.00 0.00 N ATOM 0 H ASN A 84 -6.809 -12.379 1.640 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.798 -13.263 3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.425 -10.868 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.130 -12.029 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.738 -10.216 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.171 -11.602 3.907 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.498 -10.861 1.392 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.577 -10.174 0.690 1.00 0.00 C ATOM 1419 C LEU A 85 -11.277 -11.148 -0.252 1.00 0.00 C ATOM 1420 O LEU A 85 -10.720 -11.580 -1.265 1.00 0.00 O ATOM 1421 CB LEU A 85 -10.040 -8.946 -0.077 1.00 0.00 C ATOM 1422 CG LEU A 85 -10.399 -7.573 0.525 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -11.866 -7.220 0.260 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -10.088 -7.429 2.021 1.00 0.00 C ATOM 0 H LEU A 85 -8.575 -10.500 1.149 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.301 -9.812 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.954 -9.024 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.418 -8.985 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.747 -6.866 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.090 -6.247 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.044 -7.186 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.509 -7.976 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.373 -6.432 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.649 -8.176 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.021 -7.576 2.187 1.00 0.00 H new ATOM 1436 N ARG A 86 -12.526 -11.482 0.068 1.00 0.00 N ATOM 1437 CA ARG A 86 -13.410 -12.212 -0.828 1.00 0.00 C ATOM 1438 C ARG A 86 -13.844 -11.295 -1.972 1.00 0.00 C ATOM 1439 O ARG A 86 -14.920 -10.691 -1.901 1.00 0.00 O ATOM 1440 CB ARG A 86 -14.602 -12.793 -0.043 1.00 0.00 C ATOM 1441 CG ARG A 86 -14.153 -13.888 0.939 1.00 0.00 C ATOM 1442 CD ARG A 86 -15.314 -14.779 1.398 1.00 0.00 C ATOM 1443 NE ARG A 86 -16.240 -14.132 2.343 1.00 0.00 N ATOM 1444 CZ ARG A 86 -16.231 -14.274 3.675 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -15.195 -14.845 4.275 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -17.263 -13.869 4.413 1.00 0.00 N ATOM 0 H ARG A 86 -12.953 -11.250 0.965 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.884 -13.059 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.101 -11.994 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.331 -13.205 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.391 -14.506 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.690 -13.423 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.876 -15.103 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.906 -15.676 1.864 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.953 -13.520 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.404 -15.176 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.189 -14.953 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.075 -13.444 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.242 -13.984 5.426 1.00 0.00 H new ATOM 1460 N LEU A 87 -13.025 -11.171 -3.017 1.00 0.00 N ATOM 1461 CA LEU A 87 -13.403 -10.781 -4.377 1.00 0.00 C ATOM 1462 C LEU A 87 -12.561 -11.616 -5.340 1.00 0.00 C ATOM 1463 O LEU A 87 -11.546 -12.189 -4.934 1.00 0.00 O ATOM 1464 CB LEU A 87 -13.172 -9.282 -4.658 1.00 0.00 C ATOM 1465 CG LEU A 87 -14.331 -8.383 -4.181 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -13.924 -7.604 -2.930 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -14.770 -7.401 -5.272 1.00 0.00 C ATOM 0 H LEU A 87 -12.024 -11.350 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.471 -10.958 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.251 -8.966 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.028 -9.139 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.172 -9.036 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.754 -6.975 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.667 -8.303 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.061 -6.978 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.588 -6.785 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.930 -6.762 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.104 -7.956 -6.148 1.00 0.00 H new ATOM 1479 N TYR A 88 -12.975 -11.679 -6.609 1.00 0.00 N ATOM 1480 CA TYR A 88 -12.312 -12.436 -7.668 1.00 0.00 C ATOM 1481 C TYR A 88 -10.867 -11.957 -7.830 1.00 0.00 C ATOM 1482 O TYR A 88 -9.938 -12.638 -7.388 1.00 0.00 O ATOM 1483 CB TYR A 88 -13.147 -12.351 -8.959 1.00 0.00 C ATOM 1484 CG TYR A 88 -12.444 -12.741 -10.251 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -11.460 -13.752 -10.280 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -12.758 -12.043 -11.433 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -10.756 -14.022 -11.466 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -12.076 -12.324 -12.628 1.00 0.00 C ATOM 1489 CZ TYR A 88 -11.054 -13.300 -12.643 1.00 0.00 C ATOM 1490 OH TYR A 88 -10.402 -13.562 -13.807 1.00 0.00 O ATOM 0 H TYR A 88 -13.807 -11.188 -6.935 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.250 -13.492 -7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.023 -12.989 -8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.510 -11.328 -9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.247 -14.321 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.529 -11.286 -11.420 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.988 -14.781 -11.478 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.332 -11.795 -13.534 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.738 -12.969 -14.511 1.00 0.00 H new ATOM 1500 N VAL A 89 -10.670 -10.788 -8.435 1.00 0.00 N ATOM 1501 CA VAL A 89 -9.366 -10.152 -8.534 1.00 0.00 C ATOM 1502 C VAL A 89 -9.280 -9.043 -7.485 1.00 0.00 C ATOM 1503 O VAL A 89 -10.304 -8.581 -6.961 1.00 0.00 O ATOM 1504 CB VAL A 89 -9.072 -9.685 -9.969 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -9.033 -10.869 -10.943 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -10.086 -8.651 -10.453 1.00 0.00 C ATOM 0 H VAL A 89 -11.420 -10.254 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.577 -10.871 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.090 -9.213 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.823 -10.506 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.252 -11.565 -10.638 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.996 -11.379 -10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.840 -8.349 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.086 -9.085 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.057 -7.779 -9.799 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.056 -8.626 -7.175 1.00 0.00 N ATOM 1517 CA ALA A 90 -7.763 -7.628 -6.164 1.00 0.00 C ATOM 1518 C ALA A 90 -7.368 -6.314 -6.843 1.00 0.00 C ATOM 1519 O ALA A 90 -6.901 -6.346 -7.989 1.00 0.00 O ATOM 1520 CB ALA A 90 -6.637 -8.168 -5.272 1.00 0.00 C ATOM 0 H ALA A 90 -7.220 -8.986 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.637 -7.427 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.399 -7.434 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.960 -9.096 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.752 -8.358 -5.879 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.489 -5.167 -6.148 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.134 -3.877 -6.716 1.00 0.00 C ATOM 1528 C PRO A 91 -5.663 -3.817 -7.098 1.00 0.00 C ATOM 1529 O PRO A 91 -4.817 -4.538 -6.555 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.450 -2.824 -5.649 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.544 -3.618 -4.349 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.036 -4.985 -4.811 1.00 0.00 C ATOM 0 HA PRO A 91 -7.699 -3.701 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.669 -2.065 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.384 -2.306 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.578 -3.686 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.237 -3.157 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.696 -5.772 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.125 -5.026 -4.824 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.348 -2.901 -8.007 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.972 -2.569 -8.304 1.00 0.00 C ATOM 1542 C GLU A 92 -3.440 -1.775 -7.108 1.00 0.00 C ATOM 1543 O GLU A 92 -3.813 -0.617 -6.912 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.879 -1.808 -9.631 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.718 -2.310 -10.484 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.655 -1.538 -11.803 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -3.387 -1.894 -12.754 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.839 -0.599 -11.903 1.00 0.00 O ATOM 0 H GLU A 92 -6.035 -2.377 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.357 -3.458 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.812 -1.921 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.753 -0.744 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.781 -2.191 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.838 -3.375 -10.683 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.640 -2.435 -6.270 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.918 -1.843 -5.151 1.00 0.00 C ATOM 1557 C ILE A 93 -0.834 -0.947 -5.755 1.00 0.00 C ATOM 1558 O ILE A 93 0.240 -1.431 -6.118 1.00 0.00 O ATOM 1559 CB ILE A 93 -1.362 -2.967 -4.236 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.488 -3.814 -3.593 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.429 -2.427 -3.141 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.231 -3.125 -2.439 1.00 0.00 C ATOM 0 H ILE A 93 -2.473 -3.437 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.556 -1.234 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.779 -3.612 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.210 -4.079 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.058 -4.746 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.068 -3.254 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.419 -1.920 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.975 -1.723 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.001 -3.793 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.525 -2.885 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.695 -2.208 -2.801 1.00 0.00 H new ATOM 1574 N ARG A 94 -1.119 0.340 -5.946 1.00 0.00 N ATOM 1575 CA ARG A 94 -0.142 1.306 -6.425 1.00 0.00 C ATOM 1576 C ARG A 94 0.554 1.885 -5.202 1.00 0.00 C ATOM 1577 O ARG A 94 -0.086 2.537 -4.378 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.809 2.379 -7.300 1.00 0.00 C ATOM 1579 CG ARG A 94 -1.321 1.785 -8.628 1.00 0.00 C ATOM 1580 CD ARG A 94 -1.127 2.719 -9.830 1.00 0.00 C ATOM 1581 NE ARG A 94 -2.255 3.635 -10.081 1.00 0.00 N ATOM 1582 CZ ARG A 94 -2.316 4.450 -11.143 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -1.264 4.590 -11.939 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -3.423 5.119 -11.424 1.00 0.00 N ATOM 0 H ARG A 94 -2.041 0.740 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 94 0.599 0.832 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.640 2.829 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.095 3.176 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.803 0.845 -8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.381 1.550 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.224 3.309 -9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.962 2.114 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.026 3.649 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.405 4.076 -11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.314 5.211 -12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.245 5.018 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.454 5.736 -12.236 1.00 0.00 H new ATOM 1598 N PHE A 95 1.841 1.577 -5.051 1.00 0.00 N ATOM 1599 CA PHE A 95 2.670 2.150 -4.006 1.00 0.00 C ATOM 1600 C PHE A 95 3.146 3.520 -4.466 1.00 0.00 C ATOM 1601 O PHE A 95 3.563 3.677 -5.619 1.00 0.00 O ATOM 1602 CB PHE A 95 3.874 1.240 -3.740 1.00 0.00 C ATOM 1603 CG PHE A 95 3.494 -0.124 -3.201 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.029 -0.253 -1.879 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.616 -1.266 -4.016 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.682 -1.518 -1.375 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.285 -2.531 -3.506 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.808 -2.656 -2.189 1.00 0.00 C ATOM 0 H PHE A 95 2.335 0.920 -5.655 1.00 0.00 H new ATOM 0 HA PHE A 95 2.097 2.246 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.434 1.113 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.540 1.730 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.939 0.621 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.964 -1.168 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.319 -1.615 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.397 -3.409 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.538 -3.628 -1.803 1.00 0.00 H new ATOM 1618 N TYR A 96 3.160 4.484 -3.552 1.00 0.00 N ATOM 1619 CA TYR A 96 3.700 5.816 -3.756 1.00 0.00 C ATOM 1620 C TYR A 96 4.487 6.190 -2.508 1.00 0.00 C ATOM 1621 O TYR A 96 4.147 5.768 -1.402 1.00 0.00 O ATOM 1622 CB TYR A 96 2.562 6.822 -3.951 1.00 0.00 C ATOM 1623 CG TYR A 96 1.487 6.433 -4.948 1.00 0.00 C ATOM 1624 CD1 TYR A 96 1.622 6.664 -6.334 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.321 5.828 -4.457 1.00 0.00 C ATOM 1626 CE1 TYR A 96 0.570 6.332 -7.218 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.714 5.499 -5.335 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.623 5.770 -6.709 1.00 0.00 C ATOM 1629 OH TYR A 96 -1.689 5.478 -7.510 1.00 0.00 O ATOM 0 H TYR A 96 2.780 4.350 -2.615 1.00 0.00 H new ATOM 0 HA TYR A 96 4.336 5.832 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.087 6.994 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.994 7.771 -4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.533 7.096 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.224 5.617 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.677 6.507 -8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.604 5.026 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.458 5.232 -6.954 1.00 0.00 H new ATOM 1639 N GLU A 97 5.506 7.030 -2.656 1.00 0.00 N ATOM 1640 CA GLU A 97 6.310 7.531 -1.542 1.00 0.00 C ATOM 1641 C GLU A 97 5.630 8.703 -0.846 1.00 0.00 C ATOM 1642 O GLU A 97 6.133 9.824 -0.797 1.00 0.00 O ATOM 1643 CB GLU A 97 7.726 7.843 -1.993 1.00 0.00 C ATOM 1644 CG GLU A 97 7.844 8.866 -3.132 1.00 0.00 C ATOM 1645 CD GLU A 97 9.026 8.658 -4.054 1.00 0.00 C ATOM 1646 OE1 GLU A 97 10.075 9.274 -3.752 1.00 0.00 O ATOM 1647 OE2 GLU A 97 8.842 8.042 -5.132 1.00 0.00 O ATOM 0 H GLU A 97 5.802 7.388 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 97 6.389 6.744 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.289 8.212 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.201 6.915 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.930 8.836 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.910 9.864 -2.699 1.00 0.00 H new ATOM 1654 N ASP A 98 4.471 8.381 -0.287 1.00 0.00 N ATOM 1655 CA ASP A 98 3.602 9.245 0.507 1.00 0.00 C ATOM 1656 C ASP A 98 3.421 10.618 -0.153 1.00 0.00 C ATOM 1657 O ASP A 98 4.073 11.609 0.195 1.00 0.00 O ATOM 1658 CB ASP A 98 4.171 9.283 1.927 1.00 0.00 C ATOM 1659 CG ASP A 98 3.428 10.237 2.847 1.00 0.00 C ATOM 1660 OD1 ASP A 98 2.221 10.010 3.084 1.00 0.00 O ATOM 1661 OD2 ASP A 98 4.094 11.136 3.408 1.00 0.00 O ATOM 0 H ASP A 98 4.084 7.442 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 98 2.587 8.853 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.137 8.280 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.220 9.575 1.883 1.00 0.00 H new ATOM 1666 N LYS A 99 2.563 10.661 -1.177 1.00 0.00 N ATOM 1667 CA LYS A 99 2.306 11.813 -2.036 1.00 0.00 C ATOM 1668 C LYS A 99 0.801 11.996 -2.223 1.00 0.00 C ATOM 1669 O LYS A 99 0.260 11.697 -3.291 1.00 0.00 O ATOM 1670 CB LYS A 99 3.066 11.666 -3.366 1.00 0.00 C ATOM 1671 CG LYS A 99 4.570 11.960 -3.235 1.00 0.00 C ATOM 1672 CD LYS A 99 4.973 13.431 -3.449 1.00 0.00 C ATOM 1673 CE LYS A 99 4.384 14.435 -2.446 1.00 0.00 C ATOM 1674 NZ LYS A 99 4.747 14.135 -1.043 1.00 0.00 N ATOM 0 H LYS A 99 2.002 9.850 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 99 2.680 12.721 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.931 10.653 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.632 12.342 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.899 11.651 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.108 11.344 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.060 13.500 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.671 13.729 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.730 15.437 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.298 14.440 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.214 14.760 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.516 13.144 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.767 14.289 -0.908 1.00 0.00 H new