USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 33 MET CE :methyl -143:sc= -0.461 (180deg=-2.73!) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc=-0.000613 (180deg=0) USER MOD Set 2.1: A 41 THR OG1 : rot 26:sc= 0.552! USER MOD Set 2.2: A 43 ASN : amide:sc= -3.59! C(o=-3!,f=-3!) USER MOD Set 3.1: A 23 TYR OH : rot -59:sc= -0.307 USER MOD Set 3.2: A 52 THR OG1 : rot -104:sc= -1.01 USER MOD Single : A 10 TYR OH : rot 139:sc= 1.99 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0159 (180deg=-0.268) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 156:sc= -0.0196 (180deg=-0.0543) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -9.38! C(o=-9.4!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.89 K(o=-2.9,f=-1.7!) USER MOD Single : A 53 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.7) USER MOD Single : A 55 THR OG1 : rot -130:sc= -5.48! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.23 USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= -0.254 (180deg=-1.16) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -4.88! K(o=-4.9!,f=-0.55) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -11.9! C(o=-12!,f=-7.6!) USER MOD Single : A 92 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.671 5.165 9.764 1.00 0.00 N ATOM 157 CA TYR A 10 -5.255 5.126 8.374 1.00 0.00 C ATOM 158 C TYR A 10 -6.454 5.288 7.438 1.00 0.00 C ATOM 159 O TYR A 10 -7.450 4.578 7.570 1.00 0.00 O ATOM 160 CB TYR A 10 -4.637 3.744 8.157 1.00 0.00 C ATOM 161 CG TYR A 10 -5.646 2.667 7.750 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.556 2.191 8.673 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.647 2.172 6.462 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.505 1.178 8.292 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.598 1.160 6.080 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.480 0.713 7.013 1.00 0.00 C ATOM 167 OH TYR A 10 -8.377 -0.243 6.652 1.00 0.00 O ATOM 0 HA TYR A 10 -4.556 5.935 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.869 3.818 7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.139 3.432 9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.556 2.579 9.681 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.935 2.543 5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.221 0.796 9.005 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.610 0.765 5.075 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.727 -0.043 5.759 1.00 0.00 H new ATOM 177 N LYS A 11 -6.319 6.226 6.511 1.00 0.00 N ATOM 178 CA LYS A 11 -7.379 6.491 5.554 1.00 0.00 C ATOM 179 C LYS A 11 -6.764 6.745 4.176 1.00 0.00 C ATOM 180 O LYS A 11 -5.545 6.684 4.016 1.00 0.00 O ATOM 181 CB LYS A 11 -8.276 7.629 6.047 1.00 0.00 C ATOM 182 CG LYS A 11 -7.453 8.705 6.758 1.00 0.00 C ATOM 183 CD LYS A 11 -6.632 9.519 5.756 1.00 0.00 C ATOM 184 CE LYS A 11 -7.530 10.450 4.940 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.052 11.544 5.790 1.00 0.00 N ATOM 0 H LYS A 11 -5.491 6.812 6.403 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.031 5.623 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.807 8.070 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.030 7.234 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.117 9.368 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.788 8.238 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.881 10.105 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.097 8.846 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.968 10.867 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.359 9.885 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.395 12.319 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.835 11.187 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.293 11.896 6.407 1.00 0.00 H new ATOM 199 N CYS A 12 -7.634 7.026 3.218 1.00 0.00 N ATOM 200 CA CYS A 12 -7.191 7.291 1.859 1.00 0.00 C ATOM 201 C CYS A 12 -5.924 8.143 1.924 1.00 0.00 C ATOM 202 O CYS A 12 -5.866 9.120 2.670 1.00 0.00 O ATOM 203 CB CYS A 12 -8.288 7.959 1.026 1.00 0.00 C ATOM 204 SG CYS A 12 -8.306 7.258 -0.664 1.00 0.00 S ATOM 0 H CYS A 12 -8.643 7.076 3.355 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.968 6.350 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.258 7.810 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.117 9.035 0.981 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.242 7.830 -1.361 1.00 0.00 H new ATOM 210 N GLY A 13 -4.939 7.745 1.133 1.00 0.00 N ATOM 211 CA GLY A 13 -3.675 8.462 1.091 1.00 0.00 C ATOM 212 C GLY A 13 -2.635 7.790 1.990 1.00 0.00 C ATOM 213 O GLY A 13 -1.455 8.138 1.946 1.00 0.00 O ATOM 0 H GLY A 13 -4.990 6.935 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.307 8.497 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.826 9.493 1.411 1.00 0.00 H new ATOM 217 N ASP A 14 -3.108 6.842 2.783 1.00 0.00 N ATOM 218 CA ASP A 14 -2.233 6.118 3.690 1.00 0.00 C ATOM 219 C ASP A 14 -1.526 4.998 2.924 1.00 0.00 C ATOM 220 O ASP A 14 -2.165 4.237 2.199 1.00 0.00 O ATOM 221 CB ASP A 14 -3.029 5.481 4.832 1.00 0.00 C ATOM 222 CG ASP A 14 -2.367 4.262 5.479 1.00 0.00 C ATOM 223 OD1 ASP A 14 -2.476 3.172 4.878 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.768 4.449 6.561 1.00 0.00 O ATOM 0 H ASP A 14 -4.087 6.557 2.817 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.514 6.826 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.199 6.235 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.007 5.186 4.453 1.00 0.00 H new ATOM 229 N LEU A 15 -0.217 4.932 3.112 1.00 0.00 N ATOM 230 CA LEU A 15 0.586 3.918 2.448 1.00 0.00 C ATOM 231 C LEU A 15 0.931 2.811 3.447 1.00 0.00 C ATOM 232 O LEU A 15 1.160 3.085 4.625 1.00 0.00 O ATOM 233 CB LEU A 15 1.809 4.552 1.783 1.00 0.00 C ATOM 234 CG LEU A 15 1.813 4.559 0.254 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.640 3.145 -0.303 1.00 0.00 C ATOM 236 CD2 LEU A 15 0.757 5.522 -0.292 1.00 0.00 C ATOM 0 H LEU A 15 0.309 5.564 3.715 1.00 0.00 H new ATOM 0 HA LEU A 15 0.020 3.453 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.894 5.581 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.699 4.024 2.126 1.00 0.00 H new ATOM 0 HG LEU A 15 2.785 4.920 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.646 3.180 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.458 2.514 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.692 2.732 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.781 5.508 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.230 5.214 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.967 6.531 0.063 1.00 0.00 H new ATOM 248 N VAL A 16 0.958 1.588 2.942 1.00 0.00 N ATOM 249 CA VAL A 16 1.273 0.441 3.775 1.00 0.00 C ATOM 250 C VAL A 16 1.670 -0.738 2.884 1.00 0.00 C ATOM 251 O VAL A 16 1.626 -0.638 1.659 1.00 0.00 O ATOM 252 CB VAL A 16 0.092 0.122 4.695 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.189 0.911 6.003 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.239 0.391 3.991 1.00 0.00 C ATOM 0 H VAL A 16 0.767 1.366 1.965 1.00 0.00 H new ATOM 0 HA VAL A 16 2.122 0.661 4.422 1.00 0.00 H new ATOM 0 HB VAL A 16 0.134 -0.940 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.662 0.667 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.114 0.650 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.184 1.979 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.062 0.156 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.293 1.441 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.312 -0.233 3.100 1.00 0.00 H new ATOM 264 N PHE A 17 2.050 -1.829 3.534 1.00 0.00 N ATOM 265 CA PHE A 17 2.455 -3.025 2.816 1.00 0.00 C ATOM 266 C PHE A 17 1.277 -3.985 2.642 1.00 0.00 C ATOM 267 O PHE A 17 0.726 -4.481 3.624 1.00 0.00 O ATOM 268 CB PHE A 17 3.535 -3.708 3.659 1.00 0.00 C ATOM 269 CG PHE A 17 4.940 -3.617 3.063 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.198 -4.153 1.840 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.933 -2.997 3.755 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.501 -4.068 1.287 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.239 -2.911 3.202 1.00 0.00 C ATOM 274 CZ PHE A 17 7.495 -3.448 1.979 1.00 0.00 C ATOM 0 H PHE A 17 2.086 -1.909 4.550 1.00 0.00 H new ATOM 0 HA PHE A 17 2.821 -2.758 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.543 -3.260 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.272 -4.758 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.409 -4.644 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.729 -2.570 4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.704 -4.495 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.028 -2.420 3.752 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.487 -3.382 1.557 1.00 0.00 H new ATOM 284 N ALA A 18 0.927 -4.219 1.386 1.00 0.00 N ATOM 285 CA ALA A 18 -0.176 -5.110 1.071 1.00 0.00 C ATOM 286 C ALA A 18 0.353 -6.539 0.924 1.00 0.00 C ATOM 287 O ALA A 18 1.373 -6.760 0.274 1.00 0.00 O ATOM 288 CB ALA A 18 -0.886 -4.620 -0.192 1.00 0.00 C ATOM 0 H ALA A 18 1.388 -3.807 0.575 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.909 -5.110 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.713 -5.289 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.270 -3.613 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.182 -4.608 -1.024 1.00 0.00 H new ATOM 294 N LYS A 19 -0.363 -7.468 1.538 1.00 0.00 N ATOM 295 CA LYS A 19 0.022 -8.868 1.483 1.00 0.00 C ATOM 296 C LYS A 19 -1.148 -9.695 0.946 1.00 0.00 C ATOM 297 O LYS A 19 -2.235 -9.686 1.522 1.00 0.00 O ATOM 298 CB LYS A 19 0.531 -9.338 2.847 1.00 0.00 C ATOM 299 CG LYS A 19 1.127 -10.743 2.757 1.00 0.00 C ATOM 300 CD LYS A 19 2.653 -10.702 2.870 1.00 0.00 C ATOM 301 CE LYS A 19 3.269 -12.043 2.470 1.00 0.00 C ATOM 302 NZ LYS A 19 4.475 -12.322 3.280 1.00 0.00 N ATOM 0 H LYS A 19 -1.208 -7.279 2.077 1.00 0.00 H new ATOM 0 HA LYS A 19 0.854 -9.006 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.285 -8.643 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.288 -9.332 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.717 -11.367 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.841 -11.203 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.047 -9.912 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.939 -10.457 3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.539 -12.841 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.530 -12.029 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.881 -13.236 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.177 -11.570 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.217 -12.356 4.287 1.00 0.00 H new ATOM 316 N MET A 20 -0.886 -10.389 -0.151 1.00 0.00 N ATOM 317 CA MET A 20 -1.904 -11.219 -0.773 1.00 0.00 C ATOM 318 C MET A 20 -1.361 -12.617 -1.074 1.00 0.00 C ATOM 319 O MET A 20 -0.153 -12.801 -1.221 1.00 0.00 O ATOM 320 CB MET A 20 -2.376 -10.563 -2.071 1.00 0.00 C ATOM 321 CG MET A 20 -3.841 -10.900 -2.356 1.00 0.00 C ATOM 322 SD MET A 20 -4.694 -9.454 -2.960 1.00 0.00 S ATOM 323 CE MET A 20 -4.136 -9.450 -4.655 1.00 0.00 C ATOM 0 H MET A 20 0.017 -10.394 -0.626 1.00 0.00 H new ATOM 0 HA MET A 20 -2.741 -11.316 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.255 -9.482 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.754 -10.900 -2.900 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.902 -11.702 -3.092 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.322 -11.263 -1.448 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.856 -8.915 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.166 -8.957 -4.718 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.044 -10.476 -5.010 1.00 0.00 H new ATOM 333 N LYS A 21 -2.281 -13.567 -1.161 1.00 0.00 N ATOM 334 CA LYS A 21 -1.910 -14.944 -1.444 1.00 0.00 C ATOM 335 C LYS A 21 -1.132 -14.998 -2.761 1.00 0.00 C ATOM 336 O LYS A 21 -1.627 -14.555 -3.795 1.00 0.00 O ATOM 337 CB LYS A 21 -3.144 -15.847 -1.420 1.00 0.00 C ATOM 338 CG LYS A 21 -2.773 -17.292 -1.766 1.00 0.00 C ATOM 339 CD LYS A 21 -2.295 -18.047 -0.523 1.00 0.00 C ATOM 340 CE LYS A 21 -1.437 -19.252 -0.912 1.00 0.00 C ATOM 341 NZ LYS A 21 -0.293 -19.394 0.016 1.00 0.00 N ATOM 0 H LYS A 21 -3.282 -13.411 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.248 -15.328 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.605 -15.812 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.883 -15.477 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.636 -17.800 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.990 -17.299 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.719 -17.377 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.155 -18.380 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.042 -20.158 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.073 -19.132 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.279 -20.217 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.293 -18.536 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.646 -19.530 0.985 1.00 0.00 H new ATOM 355 N GLY A 22 0.072 -15.546 -2.679 1.00 0.00 N ATOM 356 CA GLY A 22 0.921 -15.663 -3.851 1.00 0.00 C ATOM 357 C GLY A 22 1.743 -14.391 -4.064 1.00 0.00 C ATOM 358 O GLY A 22 2.751 -14.408 -4.768 1.00 0.00 O ATOM 0 H GLY A 22 0.479 -15.914 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.589 -16.517 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.307 -15.855 -4.731 1.00 0.00 H new ATOM 362 N TYR A 23 1.281 -13.316 -3.441 1.00 0.00 N ATOM 363 CA TYR A 23 1.960 -12.037 -3.552 1.00 0.00 C ATOM 364 C TYR A 23 2.613 -11.645 -2.225 1.00 0.00 C ATOM 365 O TYR A 23 1.938 -11.544 -1.202 1.00 0.00 O ATOM 366 CB TYR A 23 0.876 -11.012 -3.895 1.00 0.00 C ATOM 367 CG TYR A 23 1.421 -9.653 -4.335 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.275 -9.569 -5.416 1.00 0.00 C ATOM 369 CD2 TYR A 23 1.059 -8.509 -3.653 1.00 0.00 C ATOM 370 CE1 TYR A 23 2.789 -8.290 -5.832 1.00 0.00 C ATOM 371 CE2 TYR A 23 1.573 -7.229 -4.068 1.00 0.00 C ATOM 372 CZ TYR A 23 2.412 -7.183 -5.137 1.00 0.00 C ATOM 373 OH TYR A 23 2.897 -5.974 -5.529 1.00 0.00 O ATOM 0 H TYR A 23 0.444 -13.305 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 23 2.745 -12.084 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.248 -11.415 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.236 -10.870 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.558 -10.464 -5.951 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.390 -8.574 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.458 -8.211 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.298 -6.327 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 23 3.876 -5.986 -5.489 1.00 0.00 H new ATOM 383 N PRO A 24 3.955 -11.430 -2.287 1.00 0.00 N ATOM 384 CA PRO A 24 4.708 -11.052 -1.103 1.00 0.00 C ATOM 385 C PRO A 24 4.455 -9.587 -0.737 1.00 0.00 C ATOM 386 O PRO A 24 4.068 -8.789 -1.588 1.00 0.00 O ATOM 387 CB PRO A 24 6.159 -11.335 -1.453 1.00 0.00 C ATOM 388 CG PRO A 24 6.213 -11.419 -2.969 1.00 0.00 C ATOM 389 CD PRO A 24 4.788 -11.541 -3.481 1.00 0.00 C ATOM 0 HA PRO A 24 4.409 -11.613 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.812 -10.545 -1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.496 -12.266 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.693 -10.532 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.806 -12.278 -3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.557 -10.755 -4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.629 -12.493 -3.988 1.00 0.00 H new ATOM 397 N HIS A 25 4.684 -9.280 0.531 1.00 0.00 N ATOM 398 CA HIS A 25 4.485 -7.925 1.020 1.00 0.00 C ATOM 399 C HIS A 25 5.019 -6.927 -0.007 1.00 0.00 C ATOM 400 O HIS A 25 6.222 -6.873 -0.260 1.00 0.00 O ATOM 401 CB HIS A 25 5.118 -7.751 2.403 1.00 0.00 C ATOM 402 CG HIS A 25 4.123 -7.450 3.499 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.861 -6.940 3.247 1.00 0.00 N ATOM 404 CD2 HIS A 25 4.217 -7.596 4.852 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.234 -6.788 4.404 1.00 0.00 C ATOM 406 NE2 HIS A 25 3.075 -7.194 5.397 1.00 0.00 N ATOM 0 H HIS A 25 5.005 -9.945 1.235 1.00 0.00 H new ATOM 0 HA HIS A 25 3.420 -7.730 1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.662 -8.660 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.849 -6.944 2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.075 -7.974 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.232 -6.409 4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.862 -7.190 6.395 1.00 0.00 H new ATOM 414 N TRP A 26 4.099 -6.159 -0.572 1.00 0.00 N ATOM 415 CA TRP A 26 4.462 -5.162 -1.566 1.00 0.00 C ATOM 416 C TRP A 26 3.896 -3.816 -1.115 1.00 0.00 C ATOM 417 O TRP A 26 2.899 -3.766 -0.395 1.00 0.00 O ATOM 418 CB TRP A 26 3.981 -5.578 -2.957 1.00 0.00 C ATOM 419 CG TRP A 26 5.096 -5.670 -3.999 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.267 -4.917 -5.094 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.197 -6.603 -4.001 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.393 -5.295 -5.799 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.976 -6.353 -5.112 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.526 -7.625 -3.092 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.132 -7.082 -5.419 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.682 -8.344 -3.412 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.476 -8.105 -4.527 1.00 0.00 C ATOM 0 H TRP A 26 3.102 -6.207 -0.361 1.00 0.00 H new ATOM 0 HA TRP A 26 5.545 -5.073 -1.646 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.485 -6.546 -2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.234 -4.862 -3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.607 -4.115 -5.389 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.734 -4.875 -6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.932 -7.838 -2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.725 -6.867 -6.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.978 -9.141 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.355 -8.706 -4.705 1.00 0.00 H new ATOM 438 N PRO A 27 4.573 -2.727 -1.566 1.00 0.00 N ATOM 439 CA PRO A 27 4.149 -1.382 -1.215 1.00 0.00 C ATOM 440 C PRO A 27 2.904 -0.977 -2.006 1.00 0.00 C ATOM 441 O PRO A 27 2.995 -0.638 -3.185 1.00 0.00 O ATOM 442 CB PRO A 27 5.352 -0.500 -1.509 1.00 0.00 C ATOM 443 CG PRO A 27 6.240 -1.306 -2.444 1.00 0.00 C ATOM 444 CD PRO A 27 5.760 -2.746 -2.418 1.00 0.00 C ATOM 0 HA PRO A 27 3.854 -1.293 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.045 0.437 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.882 -0.243 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.190 -0.906 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.281 -1.245 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.522 -3.102 -3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.525 -3.411 -2.017 1.00 0.00 H new ATOM 452 N ALA A 28 1.768 -1.026 -1.327 1.00 0.00 N ATOM 453 CA ALA A 28 0.505 -0.669 -1.950 1.00 0.00 C ATOM 454 C ALA A 28 -0.140 0.477 -1.167 1.00 0.00 C ATOM 455 O ALA A 28 0.032 0.577 0.046 1.00 0.00 O ATOM 456 CB ALA A 28 -0.395 -1.905 -2.026 1.00 0.00 C ATOM 0 H ALA A 28 1.696 -1.308 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 28 0.665 -0.320 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.343 -1.637 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.096 -2.677 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.580 -2.282 -1.020 1.00 0.00 H new ATOM 462 N ARG A 29 -0.868 1.311 -1.895 1.00 0.00 N ATOM 463 CA ARG A 29 -1.538 2.447 -1.284 1.00 0.00 C ATOM 464 C ARG A 29 -2.994 2.095 -0.968 1.00 0.00 C ATOM 465 O ARG A 29 -3.582 1.231 -1.618 1.00 0.00 O ATOM 466 CB ARG A 29 -1.503 3.669 -2.202 1.00 0.00 C ATOM 467 CG ARG A 29 -2.371 3.445 -3.444 1.00 0.00 C ATOM 468 CD ARG A 29 -2.729 4.777 -4.108 1.00 0.00 C ATOM 469 NE ARG A 29 -2.810 4.606 -5.575 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.155 5.579 -6.427 1.00 0.00 C ATOM 471 NH1 ARG A 29 -3.455 6.801 -5.964 1.00 0.00 N ATOM 472 NH2 ARG A 29 -3.202 5.334 -7.744 1.00 0.00 N ATOM 0 H ARG A 29 -1.009 1.223 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.009 2.687 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.856 4.546 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.476 3.873 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.840 2.811 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.283 2.917 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.682 5.140 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.979 5.528 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.589 3.688 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.420 6.989 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.718 7.542 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.975 4.405 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.465 6.077 -8.392 1.00 0.00 H new ATOM 486 N ILE A 30 -3.534 2.784 0.025 1.00 0.00 N ATOM 487 CA ILE A 30 -4.910 2.554 0.434 1.00 0.00 C ATOM 488 C ILE A 30 -5.849 3.298 -0.519 1.00 0.00 C ATOM 489 O ILE A 30 -5.516 4.374 -1.012 1.00 0.00 O ATOM 490 CB ILE A 30 -5.102 2.931 1.905 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.909 1.862 2.643 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.731 4.319 2.038 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.406 2.022 2.374 1.00 0.00 C ATOM 0 H ILE A 30 -3.044 3.502 0.559 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.157 1.495 0.366 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.121 2.977 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.583 0.872 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.719 1.932 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.856 4.562 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.082 5.059 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.704 4.326 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.957 1.249 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.734 3.004 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.596 1.927 1.305 1.00 0.00 H new ATOM 505 N ASP A 31 -7.007 2.693 -0.747 1.00 0.00 N ATOM 506 CA ASP A 31 -7.996 3.283 -1.631 1.00 0.00 C ATOM 507 C ASP A 31 -9.397 2.899 -1.148 1.00 0.00 C ATOM 508 O ASP A 31 -9.580 1.854 -0.527 1.00 0.00 O ATOM 509 CB ASP A 31 -7.833 2.768 -3.062 1.00 0.00 C ATOM 510 CG ASP A 31 -6.790 3.509 -3.901 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.713 3.802 -3.338 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.092 3.767 -5.087 1.00 0.00 O ATOM 0 H ASP A 31 -7.281 1.801 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.857 4.364 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.563 1.713 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.797 2.833 -3.567 1.00 0.00 H new ATOM 517 N GLU A 32 -10.351 3.768 -1.453 1.00 0.00 N ATOM 518 CA GLU A 32 -11.730 3.534 -1.059 1.00 0.00 C ATOM 519 C GLU A 32 -12.582 3.187 -2.281 1.00 0.00 C ATOM 520 O GLU A 32 -12.254 3.580 -3.400 1.00 0.00 O ATOM 521 CB GLU A 32 -12.301 4.745 -0.318 1.00 0.00 C ATOM 522 CG GLU A 32 -12.450 5.942 -1.259 1.00 0.00 C ATOM 523 CD GLU A 32 -13.113 7.121 -0.544 1.00 0.00 C ATOM 524 OE1 GLU A 32 -12.654 7.439 0.574 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.066 7.678 -1.132 1.00 0.00 O ATOM 0 H GLU A 32 -10.196 4.635 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.752 2.686 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.271 4.491 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.647 5.010 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.470 6.242 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.046 5.656 -2.126 1.00 0.00 H new ATOM 532 N MET A 33 -13.656 2.456 -2.026 1.00 0.00 N ATOM 533 CA MET A 33 -14.556 2.051 -3.092 1.00 0.00 C ATOM 534 C MET A 33 -15.543 3.171 -3.430 1.00 0.00 C ATOM 535 O MET A 33 -16.370 3.545 -2.601 1.00 0.00 O ATOM 536 CB MET A 33 -15.328 0.803 -2.663 1.00 0.00 C ATOM 537 CG MET A 33 -14.421 -0.429 -2.659 1.00 0.00 C ATOM 538 SD MET A 33 -14.688 -1.390 -4.139 1.00 0.00 S ATOM 539 CE MET A 33 -16.433 -1.731 -3.974 1.00 0.00 C ATOM 0 H MET A 33 -13.924 2.133 -1.096 1.00 0.00 H new ATOM 0 HA MET A 33 -13.963 1.834 -3.980 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.746 0.954 -1.668 1.00 0.00 H new ATOM 0 HB3 MET A 33 -16.167 0.639 -3.340 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.377 -0.122 -2.599 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.625 -1.038 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.642 -2.739 -4.332 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.722 -1.651 -2.926 1.00 0.00 H new ATOM 0 HE3 MET A 33 -17.002 -1.012 -4.563 1.00 0.00 H new ATOM 549 N PRO A 34 -15.420 3.688 -4.682 1.00 0.00 N ATOM 550 CA PRO A 34 -16.291 4.757 -5.140 1.00 0.00 C ATOM 551 C PRO A 34 -17.690 4.226 -5.459 1.00 0.00 C ATOM 552 O PRO A 34 -17.901 3.015 -5.511 1.00 0.00 O ATOM 553 CB PRO A 34 -15.587 5.346 -6.352 1.00 0.00 C ATOM 554 CG PRO A 34 -14.589 4.293 -6.807 1.00 0.00 C ATOM 555 CD PRO A 34 -14.452 3.269 -5.691 1.00 0.00 C ATOM 0 HA PRO A 34 -16.454 5.522 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.300 5.577 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.082 6.278 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.931 3.814 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.624 4.751 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.665 2.262 -6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.440 3.256 -5.287 1.00 0.00 H new ATOM 563 N GLU A 35 -18.607 5.158 -5.667 1.00 0.00 N ATOM 564 CA GLU A 35 -19.981 4.798 -5.982 1.00 0.00 C ATOM 565 C GLU A 35 -20.563 5.770 -7.009 1.00 0.00 C ATOM 566 O GLU A 35 -21.755 6.072 -6.977 1.00 0.00 O ATOM 567 CB GLU A 35 -20.840 4.758 -4.715 1.00 0.00 C ATOM 568 CG GLU A 35 -20.661 6.034 -3.890 1.00 0.00 C ATOM 569 CD GLU A 35 -21.511 5.988 -2.618 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.553 5.301 -2.658 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.098 6.643 -1.637 1.00 0.00 O ATOM 0 H GLU A 35 -18.427 6.161 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.984 3.798 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.889 4.640 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.567 3.891 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.611 6.156 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.942 6.901 -4.488 1.00 0.00 H new ATOM 578 N ALA A 36 -19.694 6.237 -7.894 1.00 0.00 N ATOM 579 CA ALA A 36 -20.106 7.169 -8.928 1.00 0.00 C ATOM 580 C ALA A 36 -20.318 6.409 -10.239 1.00 0.00 C ATOM 581 O ALA A 36 -21.451 6.255 -10.696 1.00 0.00 O ATOM 582 CB ALA A 36 -19.063 8.280 -9.061 1.00 0.00 C ATOM 0 H ALA A 36 -18.705 5.986 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.052 7.641 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.373 8.979 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.972 8.809 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.100 7.845 -9.328 1.00 0.00 H new ATOM 588 N ALA A 37 -19.212 5.954 -10.808 1.00 0.00 N ATOM 589 CA ALA A 37 -19.262 5.215 -12.056 1.00 0.00 C ATOM 590 C ALA A 37 -20.254 4.057 -11.921 1.00 0.00 C ATOM 591 O ALA A 37 -21.071 3.826 -12.811 1.00 0.00 O ATOM 592 CB ALA A 37 -17.856 4.735 -12.424 1.00 0.00 C ATOM 0 H ALA A 37 -18.275 6.083 -10.427 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.611 5.856 -12.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.895 4.180 -13.361 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.196 5.595 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.474 4.087 -11.635 1.00 0.00 H new ATOM 598 N VAL A 38 -20.153 3.362 -10.797 1.00 0.00 N ATOM 599 CA VAL A 38 -21.031 2.235 -10.533 1.00 0.00 C ATOM 600 C VAL A 38 -21.393 2.214 -9.046 1.00 0.00 C ATOM 601 O VAL A 38 -20.722 2.847 -8.232 1.00 0.00 O ATOM 602 CB VAL A 38 -20.375 0.937 -11.007 1.00 0.00 C ATOM 603 CG1 VAL A 38 -20.163 0.951 -12.523 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.057 0.689 -10.271 1.00 0.00 C ATOM 0 H VAL A 38 -19.477 3.558 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.961 2.336 -11.093 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.050 0.115 -10.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -19.695 0.017 -12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -21.125 1.059 -13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.518 1.787 -12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -18.611 -0.240 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -18.373 1.516 -10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.247 0.614 -9.200 1.00 0.00 H new ATOM 614 N LYS A 39 -22.453 1.481 -8.738 1.00 0.00 N ATOM 615 CA LYS A 39 -22.911 1.370 -7.363 1.00 0.00 C ATOM 616 C LYS A 39 -22.565 -0.020 -6.827 1.00 0.00 C ATOM 617 O LYS A 39 -23.237 -0.999 -7.147 1.00 0.00 O ATOM 618 CB LYS A 39 -24.399 1.713 -7.267 1.00 0.00 C ATOM 619 CG LYS A 39 -24.645 3.185 -7.605 1.00 0.00 C ATOM 620 CD LYS A 39 -25.723 3.327 -8.683 1.00 0.00 C ATOM 621 CE LYS A 39 -25.123 3.832 -9.995 1.00 0.00 C ATOM 622 NZ LYS A 39 -25.889 3.310 -11.150 1.00 0.00 N ATOM 0 H LYS A 39 -23.007 0.959 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.398 2.094 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.967 1.080 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.760 1.502 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.951 3.722 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.718 3.643 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -26.207 2.364 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.494 4.018 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -25.130 4.922 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -24.082 3.519 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -25.468 3.662 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -25.861 2.270 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.876 3.630 -11.085 1.00 0.00 H new ATOM 636 N SER A 40 -21.516 -0.063 -6.018 1.00 0.00 N ATOM 637 CA SER A 40 -21.071 -1.316 -5.433 1.00 0.00 C ATOM 638 C SER A 40 -21.406 -1.344 -3.941 1.00 0.00 C ATOM 639 O SER A 40 -21.768 -0.321 -3.363 1.00 0.00 O ATOM 640 CB SER A 40 -19.571 -1.522 -5.645 1.00 0.00 C ATOM 641 OG SER A 40 -19.288 -2.145 -6.895 1.00 0.00 O ATOM 0 H SER A 40 -20.961 0.751 -5.754 1.00 0.00 H new ATOM 0 HA SER A 40 -21.595 -2.131 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.063 -0.559 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.171 -2.134 -4.836 1.00 0.00 H new ATOM 0 HG SER A 40 -18.319 -2.257 -6.993 1.00 0.00 H new ATOM 647 N THR A 41 -21.273 -2.528 -3.359 1.00 0.00 N ATOM 648 CA THR A 41 -21.556 -2.703 -1.945 1.00 0.00 C ATOM 649 C THR A 41 -20.318 -2.372 -1.108 1.00 0.00 C ATOM 650 O THR A 41 -19.252 -2.948 -1.316 1.00 0.00 O ATOM 651 CB THR A 41 -22.065 -4.131 -1.739 1.00 0.00 C ATOM 652 OG1 THR A 41 -20.923 -4.946 -1.991 1.00 0.00 O ATOM 653 CG2 THR A 41 -23.070 -4.555 -2.811 1.00 0.00 C ATOM 0 H THR A 41 -20.973 -3.375 -3.842 1.00 0.00 H new ATOM 0 HA THR A 41 -22.331 -2.014 -1.608 1.00 0.00 H new ATOM 0 HB THR A 41 -22.528 -4.213 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 41 -20.108 -4.431 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 41 -23.399 -5.576 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.930 -3.886 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 41 -22.598 -4.506 -3.792 1.00 0.00 H new ATOM 661 N ALA A 42 -20.502 -1.444 -0.181 1.00 0.00 N ATOM 662 CA ALA A 42 -19.413 -1.029 0.688 1.00 0.00 C ATOM 663 C ALA A 42 -19.324 -1.987 1.879 1.00 0.00 C ATOM 664 O ALA A 42 -20.290 -2.151 2.621 1.00 0.00 O ATOM 665 CB ALA A 42 -19.632 0.422 1.123 1.00 0.00 C ATOM 0 H ALA A 42 -21.388 -0.968 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.461 -1.071 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.816 0.734 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.660 1.065 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.577 0.502 1.661 1.00 0.00 H new ATOM 671 N ASN A 43 -18.155 -2.591 2.023 1.00 0.00 N ATOM 672 CA ASN A 43 -17.926 -3.526 3.111 1.00 0.00 C ATOM 673 C ASN A 43 -16.421 -3.737 3.290 1.00 0.00 C ATOM 674 O ASN A 43 -15.922 -3.754 4.414 1.00 0.00 O ATOM 675 CB ASN A 43 -18.561 -4.887 2.811 1.00 0.00 C ATOM 676 CG ASN A 43 -20.055 -4.741 2.517 1.00 0.00 C ATOM 677 OD1 ASN A 43 -20.883 -4.648 3.407 1.00 0.00 O ATOM 678 ND2 ASN A 43 -20.351 -4.728 1.220 1.00 0.00 N ATOM 0 H ASN A 43 -17.356 -2.452 1.405 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.374 -3.109 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -18.062 -5.345 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -18.417 -5.555 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.321 -4.636 0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.608 -4.810 0.526 1.00 0.00 H new ATOM 685 N LYS A 44 -15.740 -3.893 2.165 1.00 0.00 N ATOM 686 CA LYS A 44 -14.302 -4.102 2.182 1.00 0.00 C ATOM 687 C LYS A 44 -13.597 -2.796 1.806 1.00 0.00 C ATOM 688 O LYS A 44 -14.250 -1.792 1.526 1.00 0.00 O ATOM 689 CB LYS A 44 -13.920 -5.284 1.291 1.00 0.00 C ATOM 690 CG LYS A 44 -14.008 -4.906 -0.189 1.00 0.00 C ATOM 691 CD LYS A 44 -15.244 -5.527 -0.841 1.00 0.00 C ATOM 692 CE LYS A 44 -15.960 -4.513 -1.738 1.00 0.00 C ATOM 693 NZ LYS A 44 -16.864 -5.205 -2.684 1.00 0.00 N ATOM 0 H LYS A 44 -16.158 -3.879 1.234 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.969 -4.369 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.907 -5.610 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.581 -6.126 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.046 -3.821 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.111 -5.243 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.951 -6.396 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.927 -5.881 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.531 -3.815 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.227 -3.926 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.341 -4.503 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.312 -5.853 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.575 -5.746 -2.152 1.00 0.00 H new ATOM 707 N TYR A 45 -12.273 -2.852 1.813 1.00 0.00 N ATOM 708 CA TYR A 45 -11.473 -1.688 1.477 1.00 0.00 C ATOM 709 C TYR A 45 -10.737 -1.892 0.151 1.00 0.00 C ATOM 710 O TYR A 45 -10.435 -3.023 -0.226 1.00 0.00 O ATOM 711 CB TYR A 45 -10.445 -1.543 2.601 1.00 0.00 C ATOM 712 CG TYR A 45 -10.542 -0.223 3.366 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.766 0.390 3.535 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.402 0.355 3.891 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.857 1.632 4.255 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.494 1.598 4.612 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.716 2.176 4.760 1.00 0.00 C ATOM 718 OH TYR A 45 -10.803 3.349 5.441 1.00 0.00 O ATOM 0 H TYR A 45 -11.735 -3.686 2.046 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.105 -0.806 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.570 -2.368 3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.444 -1.633 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.657 -0.063 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.443 -0.125 3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.810 2.122 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.611 2.062 5.027 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.911 3.618 5.745 1.00 0.00 H new ATOM 728 N GLN A 46 -10.470 -0.780 -0.519 1.00 0.00 N ATOM 729 CA GLN A 46 -9.775 -0.824 -1.793 1.00 0.00 C ATOM 730 C GLN A 46 -8.263 -0.752 -1.578 1.00 0.00 C ATOM 731 O GLN A 46 -7.787 0.019 -0.746 1.00 0.00 O ATOM 732 CB GLN A 46 -10.251 0.300 -2.716 1.00 0.00 C ATOM 733 CG GLN A 46 -10.438 -0.206 -4.148 1.00 0.00 C ATOM 734 CD GLN A 46 -11.492 0.618 -4.888 1.00 0.00 C ATOM 735 OE1 GLN A 46 -12.596 0.171 -5.152 1.00 0.00 O ATOM 736 NE2 GLN A 46 -11.092 1.846 -5.208 1.00 0.00 N ATOM 0 H GLN A 46 -10.723 0.156 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.008 -1.772 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.192 0.706 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.526 1.114 -2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.489 -0.154 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.737 -1.254 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.154 2.158 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.723 2.475 -5.704 1.00 0.00 H new ATOM 745 N VAL A 47 -7.547 -1.566 -2.340 1.00 0.00 N ATOM 746 CA VAL A 47 -6.099 -1.604 -2.242 1.00 0.00 C ATOM 747 C VAL A 47 -5.492 -1.440 -3.637 1.00 0.00 C ATOM 748 O VAL A 47 -6.008 -1.989 -4.609 1.00 0.00 O ATOM 749 CB VAL A 47 -5.655 -2.894 -1.545 1.00 0.00 C ATOM 750 CG1 VAL A 47 -5.090 -3.895 -2.553 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.641 -2.596 -0.438 1.00 0.00 C ATOM 0 H VAL A 47 -7.944 -2.205 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.736 -0.778 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.533 -3.346 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.782 -4.802 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.855 -4.141 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.229 -3.457 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.341 -3.528 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.765 -2.111 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.094 -1.936 0.302 1.00 0.00 H new ATOM 761 N PHE A 48 -4.406 -0.684 -3.690 1.00 0.00 N ATOM 762 CA PHE A 48 -3.724 -0.441 -4.950 1.00 0.00 C ATOM 763 C PHE A 48 -2.218 -0.670 -4.812 1.00 0.00 C ATOM 764 O PHE A 48 -1.526 0.110 -4.159 1.00 0.00 O ATOM 765 CB PHE A 48 -3.975 1.022 -5.319 1.00 0.00 C ATOM 766 CG PHE A 48 -4.634 1.215 -6.687 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.889 1.114 -7.820 1.00 0.00 C ATOM 768 CD2 PHE A 48 -5.964 1.487 -6.769 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.501 1.293 -9.089 1.00 0.00 C ATOM 770 CE2 PHE A 48 -6.576 1.666 -8.037 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.830 1.565 -9.171 1.00 0.00 C ATOM 0 H PHE A 48 -3.981 -0.231 -2.881 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.098 -1.123 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.607 1.475 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.026 1.557 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.833 0.898 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.555 1.567 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.910 1.213 -9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.632 1.882 -8.102 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.294 1.701 -10.136 1.00 0.00 H new ATOM 781 N PHE A 49 -1.753 -1.741 -5.437 1.00 0.00 N ATOM 782 CA PHE A 49 -0.342 -2.082 -5.391 1.00 0.00 C ATOM 783 C PHE A 49 0.454 -1.258 -6.404 1.00 0.00 C ATOM 784 O PHE A 49 0.185 -1.314 -7.604 1.00 0.00 O ATOM 785 CB PHE A 49 -0.226 -3.563 -5.754 1.00 0.00 C ATOM 786 CG PHE A 49 -1.319 -4.442 -5.139 1.00 0.00 C ATOM 787 CD1 PHE A 49 -2.494 -4.625 -5.797 1.00 0.00 C ATOM 788 CD2 PHE A 49 -1.113 -5.037 -3.933 1.00 0.00 C ATOM 789 CE1 PHE A 49 -3.507 -5.440 -5.226 1.00 0.00 C ATOM 790 CE2 PHE A 49 -2.126 -5.853 -3.363 1.00 0.00 C ATOM 791 CZ PHE A 49 -3.303 -6.037 -4.021 1.00 0.00 C ATOM 0 H PHE A 49 -2.329 -2.385 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 49 0.058 -1.874 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.260 -3.664 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.747 -3.931 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.657 -4.151 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.180 -4.889 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.441 -5.586 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.962 -6.328 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.074 -6.656 -3.587 1.00 0.00 H new ATOM 801 N PHE A 50 1.417 -0.510 -5.885 1.00 0.00 N ATOM 802 CA PHE A 50 2.253 0.326 -6.730 1.00 0.00 C ATOM 803 C PHE A 50 3.212 -0.525 -7.566 1.00 0.00 C ATOM 804 O PHE A 50 3.195 -0.461 -8.793 1.00 0.00 O ATOM 805 CB PHE A 50 3.068 1.227 -5.802 1.00 0.00 C ATOM 806 CG PHE A 50 2.345 2.510 -5.386 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.705 3.263 -6.320 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.340 2.894 -4.081 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.034 4.453 -5.934 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.667 4.085 -3.695 1.00 0.00 C ATOM 811 CZ PHE A 50 1.029 4.839 -4.629 1.00 0.00 C ATOM 0 H PHE A 50 1.637 -0.466 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 50 1.631 0.903 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.332 0.665 -4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.001 1.493 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.707 2.956 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.847 2.295 -3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.527 5.052 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.663 4.391 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.518 5.744 -4.335 1.00 0.00 H new ATOM 821 N GLY A 51 4.025 -1.303 -6.867 1.00 0.00 N ATOM 822 CA GLY A 51 4.989 -2.166 -7.528 1.00 0.00 C ATOM 823 C GLY A 51 4.383 -2.806 -8.779 1.00 0.00 C ATOM 824 O GLY A 51 4.923 -2.669 -9.874 1.00 0.00 O ATOM 0 H GLY A 51 4.036 -1.354 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.872 -1.589 -7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.318 -2.944 -6.840 1.00 0.00 H new ATOM 828 N THR A 52 3.269 -3.492 -8.573 1.00 0.00 N ATOM 829 CA THR A 52 2.583 -4.155 -9.670 1.00 0.00 C ATOM 830 C THR A 52 1.715 -3.156 -10.437 1.00 0.00 C ATOM 831 O THR A 52 1.519 -3.297 -11.642 1.00 0.00 O ATOM 832 CB THR A 52 1.792 -5.330 -9.092 1.00 0.00 C ATOM 833 OG1 THR A 52 1.283 -4.832 -7.857 1.00 0.00 O ATOM 834 CG2 THR A 52 2.691 -6.497 -8.682 1.00 0.00 C ATOM 0 H THR A 52 2.823 -3.604 -7.662 1.00 0.00 H new ATOM 0 HA THR A 52 3.291 -4.549 -10.399 1.00 0.00 H new ATOM 0 HB THR A 52 1.065 -5.674 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.804 -5.203 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.079 -7.304 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.239 -6.858 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.397 -6.163 -7.922 1.00 0.00 H new ATOM 842 N HIS A 53 1.221 -2.167 -9.707 1.00 0.00 N ATOM 843 CA HIS A 53 0.378 -1.145 -10.303 1.00 0.00 C ATOM 844 C HIS A 53 -1.012 -1.721 -10.579 1.00 0.00 C ATOM 845 O HIS A 53 -1.628 -1.404 -11.596 1.00 0.00 O ATOM 846 CB HIS A 53 1.037 -0.560 -11.555 1.00 0.00 C ATOM 847 CG HIS A 53 0.689 0.885 -11.814 1.00 0.00 C ATOM 848 ND1 HIS A 53 -0.612 1.321 -11.999 1.00 0.00 N ATOM 849 CD2 HIS A 53 1.483 1.990 -11.917 1.00 0.00 C ATOM 850 CE1 HIS A 53 -0.590 2.631 -12.205 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.710 3.042 -12.155 1.00 0.00 N ATOM 0 H HIS A 53 1.389 -2.052 -8.707 1.00 0.00 H new ATOM 0 HA HIS A 53 0.257 -0.317 -9.605 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.119 -0.651 -11.460 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.742 -1.155 -12.420 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.446 0.734 -11.980 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.559 2.006 -11.821 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.449 3.261 -12.381 1.00 0.00 H new ATOM 859 N GLU A 54 -1.464 -2.558 -9.657 1.00 0.00 N ATOM 860 CA GLU A 54 -2.769 -3.182 -9.788 1.00 0.00 C ATOM 861 C GLU A 54 -3.649 -2.831 -8.586 1.00 0.00 C ATOM 862 O GLU A 54 -3.204 -2.145 -7.667 1.00 0.00 O ATOM 863 CB GLU A 54 -2.639 -4.697 -9.948 1.00 0.00 C ATOM 864 CG GLU A 54 -2.049 -5.055 -11.313 1.00 0.00 C ATOM 865 CD GLU A 54 -3.010 -5.939 -12.112 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.021 -5.385 -12.596 1.00 0.00 O ATOM 867 OE2 GLU A 54 -2.711 -7.148 -12.221 1.00 0.00 O ATOM 0 H GLU A 54 -0.949 -2.819 -8.816 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.246 -2.794 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.004 -5.097 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.618 -5.163 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.838 -4.143 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.100 -5.573 -11.178 1.00 0.00 H new ATOM 874 N THR A 55 -4.879 -3.319 -8.631 1.00 0.00 N ATOM 875 CA THR A 55 -5.824 -3.065 -7.557 1.00 0.00 C ATOM 876 C THR A 55 -6.543 -4.357 -7.162 1.00 0.00 C ATOM 877 O THR A 55 -6.725 -5.248 -7.992 1.00 0.00 O ATOM 878 CB THR A 55 -6.774 -1.957 -8.014 1.00 0.00 C ATOM 879 OG1 THR A 55 -5.951 -0.796 -8.071 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.828 -1.616 -6.958 1.00 0.00 C ATOM 0 H THR A 55 -5.244 -3.889 -9.394 1.00 0.00 H new ATOM 0 HA THR A 55 -5.315 -2.725 -6.655 1.00 0.00 H new ATOM 0 HB THR A 55 -7.270 -2.262 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.383 -0.065 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.476 -0.824 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.425 -2.501 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.334 -1.279 -6.046 1.00 0.00 H new ATOM 888 N ALA A 56 -6.933 -4.418 -5.898 1.00 0.00 N ATOM 889 CA ALA A 56 -7.629 -5.587 -5.385 1.00 0.00 C ATOM 890 C ALA A 56 -8.444 -5.188 -4.153 1.00 0.00 C ATOM 891 O ALA A 56 -8.325 -4.068 -3.660 1.00 0.00 O ATOM 892 CB ALA A 56 -6.614 -6.690 -5.080 1.00 0.00 C ATOM 0 H ALA A 56 -6.781 -3.677 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.324 -5.979 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.134 -7.567 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.080 -6.956 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.903 -6.334 -4.335 1.00 0.00 H new ATOM 898 N PHE A 57 -9.257 -6.128 -3.692 1.00 0.00 N ATOM 899 CA PHE A 57 -10.092 -5.889 -2.528 1.00 0.00 C ATOM 900 C PHE A 57 -9.440 -6.446 -1.261 1.00 0.00 C ATOM 901 O PHE A 57 -9.425 -7.657 -1.048 1.00 0.00 O ATOM 902 CB PHE A 57 -11.416 -6.620 -2.770 1.00 0.00 C ATOM 903 CG PHE A 57 -11.275 -8.140 -2.888 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.931 -8.699 -4.080 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.492 -8.929 -1.804 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.801 -10.109 -4.191 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.362 -10.338 -1.914 1.00 0.00 C ATOM 908 CZ PHE A 57 -11.019 -10.899 -3.104 1.00 0.00 C ATOM 0 H PHE A 57 -9.355 -7.056 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.238 -4.818 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.100 -6.391 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.870 -6.235 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.757 -8.071 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.764 -8.484 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.529 -10.554 -5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.536 -10.965 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.920 -11.971 -3.187 1.00 0.00 H new ATOM 918 N LEU A 58 -8.917 -5.535 -0.453 1.00 0.00 N ATOM 919 CA LEU A 58 -8.264 -5.920 0.786 1.00 0.00 C ATOM 920 C LEU A 58 -8.763 -5.022 1.920 1.00 0.00 C ATOM 921 O LEU A 58 -9.559 -4.112 1.692 1.00 0.00 O ATOM 922 CB LEU A 58 -6.744 -5.910 0.616 1.00 0.00 C ATOM 923 CG LEU A 58 -6.152 -7.064 -0.197 1.00 0.00 C ATOM 924 CD1 LEU A 58 -6.583 -6.977 -1.662 1.00 0.00 C ATOM 925 CD2 LEU A 58 -4.630 -7.115 -0.049 1.00 0.00 C ATOM 0 H LEU A 58 -8.932 -4.531 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.524 -6.944 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.458 -4.972 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.288 -5.917 1.606 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.545 -8.000 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.150 -7.808 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.670 -7.026 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.237 -6.035 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.235 -7.944 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.198 -6.180 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.371 -7.258 1.000 1.00 0.00 H new ATOM 937 N GLY A 59 -8.274 -5.308 3.118 1.00 0.00 N ATOM 938 CA GLY A 59 -8.660 -4.537 4.287 1.00 0.00 C ATOM 939 C GLY A 59 -7.431 -4.111 5.092 1.00 0.00 C ATOM 940 O GLY A 59 -6.327 -4.041 4.556 1.00 0.00 O ATOM 0 H GLY A 59 -7.614 -6.063 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.220 -3.655 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.323 -5.131 4.916 1.00 0.00 H new ATOM 944 N PRO A 60 -7.671 -3.829 6.402 1.00 0.00 N ATOM 945 CA PRO A 60 -6.597 -3.411 7.286 1.00 0.00 C ATOM 946 C PRO A 60 -5.709 -4.596 7.668 1.00 0.00 C ATOM 947 O PRO A 60 -4.525 -4.423 7.955 1.00 0.00 O ATOM 948 CB PRO A 60 -7.294 -2.782 8.481 1.00 0.00 C ATOM 949 CG PRO A 60 -8.728 -3.285 8.439 1.00 0.00 C ATOM 950 CD PRO A 60 -8.966 -3.901 7.071 1.00 0.00 C ATOM 0 HA PRO A 60 -5.919 -2.698 6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.807 -3.069 9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.260 -1.694 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.897 -4.022 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.425 -2.466 8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.311 -4.931 7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.729 -3.353 6.517 1.00 0.00 H new ATOM 958 N LYS A 61 -6.314 -5.775 7.660 1.00 0.00 N ATOM 959 CA LYS A 61 -5.593 -6.989 8.002 1.00 0.00 C ATOM 960 C LYS A 61 -4.587 -7.310 6.894 1.00 0.00 C ATOM 961 O LYS A 61 -3.447 -7.678 7.174 1.00 0.00 O ATOM 962 CB LYS A 61 -6.570 -8.129 8.293 1.00 0.00 C ATOM 963 CG LYS A 61 -7.721 -7.652 9.180 1.00 0.00 C ATOM 964 CD LYS A 61 -7.575 -8.189 10.606 1.00 0.00 C ATOM 965 CE LYS A 61 -8.804 -7.848 11.449 1.00 0.00 C ATOM 966 NZ LYS A 61 -8.512 -8.030 12.889 1.00 0.00 N ATOM 0 H LYS A 61 -7.296 -5.915 7.422 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.023 -6.846 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.966 -8.521 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.043 -8.948 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.743 -6.562 9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.670 -7.983 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.437 -9.270 10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.684 -7.765 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.107 -6.818 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.640 -8.484 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.357 -7.794 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.245 -9.019 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.729 -7.405 13.166 1.00 0.00 H new ATOM 980 N ASP A 62 -5.045 -7.158 5.661 1.00 0.00 N ATOM 981 CA ASP A 62 -4.200 -7.426 4.510 1.00 0.00 C ATOM 982 C ASP A 62 -3.172 -6.301 4.363 1.00 0.00 C ATOM 983 O ASP A 62 -2.252 -6.398 3.553 1.00 0.00 O ATOM 984 CB ASP A 62 -5.025 -7.483 3.222 1.00 0.00 C ATOM 985 CG ASP A 62 -5.535 -8.874 2.842 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.786 -9.579 2.131 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.662 -9.201 3.271 1.00 0.00 O ATOM 0 H ASP A 62 -5.991 -6.852 5.433 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.711 -8.387 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.880 -6.815 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.418 -7.099 2.402 1.00 0.00 H new ATOM 992 N LEU A 63 -3.364 -5.261 5.161 1.00 0.00 N ATOM 993 CA LEU A 63 -2.466 -4.119 5.131 1.00 0.00 C ATOM 994 C LEU A 63 -1.701 -4.043 6.452 1.00 0.00 C ATOM 995 O LEU A 63 -2.297 -3.842 7.509 1.00 0.00 O ATOM 996 CB LEU A 63 -3.234 -2.841 4.790 1.00 0.00 C ATOM 997 CG LEU A 63 -3.508 -2.599 3.305 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.187 -1.246 3.086 1.00 0.00 C ATOM 999 CD2 LEU A 63 -2.226 -2.736 2.481 1.00 0.00 C ATOM 0 H LEU A 63 -4.128 -5.185 5.832 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.726 -4.238 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.188 -2.863 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.675 -1.990 5.179 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.199 -3.367 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.371 -1.099 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.135 -1.223 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.540 -0.450 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.449 -2.559 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.493 -2.006 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.821 -3.741 2.602 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.389 -4.209 6.352 1.00 0.00 N ATOM 1012 CA PHE A 64 0.463 -4.161 7.527 1.00 0.00 C ATOM 1013 C PHE A 64 1.207 -2.826 7.611 1.00 0.00 C ATOM 1014 O PHE A 64 1.625 -2.280 6.592 1.00 0.00 O ATOM 1015 CB PHE A 64 1.484 -5.291 7.386 1.00 0.00 C ATOM 1016 CG PHE A 64 1.133 -6.549 8.183 1.00 0.00 C ATOM 1017 CD1 PHE A 64 -0.107 -7.098 8.077 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.062 -7.120 8.997 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.433 -8.266 8.816 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.736 -8.288 9.736 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.496 -8.836 9.631 1.00 0.00 C ATOM 0 H PHE A 64 0.104 -4.377 5.475 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.141 -4.268 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.576 -5.555 6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.459 -4.928 7.710 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.844 -6.645 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.047 -6.685 9.081 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.418 -8.702 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.473 -8.741 10.382 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.248 -9.724 10.194 1.00 0.00 H new ATOM 1031 N PRO A 65 1.354 -2.328 8.869 1.00 0.00 N ATOM 1032 CA PRO A 65 2.040 -1.068 9.099 1.00 0.00 C ATOM 1033 C PRO A 65 3.554 -1.233 8.950 1.00 0.00 C ATOM 1034 O PRO A 65 4.060 -2.354 8.920 1.00 0.00 O ATOM 1035 CB PRO A 65 1.624 -0.643 10.498 1.00 0.00 C ATOM 1036 CG PRO A 65 1.095 -1.897 11.174 1.00 0.00 C ATOM 1037 CD PRO A 65 0.873 -2.949 10.099 1.00 0.00 C ATOM 0 HA PRO A 65 1.772 -0.304 8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.469 -0.230 11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.859 0.132 10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.804 -2.257 11.919 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.163 -1.684 11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.421 -3.864 10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.180 -3.219 10.021 1.00 0.00 H new ATOM 1045 N TYR A 66 4.235 -0.101 8.864 1.00 0.00 N ATOM 1046 CA TYR A 66 5.680 -0.105 8.719 1.00 0.00 C ATOM 1047 C TYR A 66 6.366 -0.288 10.075 1.00 0.00 C ATOM 1048 O TYR A 66 7.386 -0.969 10.172 1.00 0.00 O ATOM 1049 CB TYR A 66 6.052 1.267 8.153 1.00 0.00 C ATOM 1050 CG TYR A 66 7.510 1.665 8.393 1.00 0.00 C ATOM 1051 CD1 TYR A 66 7.866 2.322 9.553 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.473 1.366 7.448 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.237 2.695 9.778 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.844 1.740 7.674 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.159 2.386 8.827 1.00 0.00 C ATOM 1056 OH TYR A 66 11.456 2.739 9.040 1.00 0.00 O ATOM 0 H TYR A 66 3.812 0.827 8.892 1.00 0.00 H new ATOM 0 HA TYR A 66 5.999 -0.923 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.857 1.271 7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.402 2.021 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.115 2.556 10.293 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.197 0.851 6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 66 9.528 3.209 10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.606 1.512 6.943 1.00 0.00 H new ATOM 0 HH TYR A 66 12.002 2.454 8.278 1.00 0.00 H new ATOM 1066 N GLU A 67 5.779 0.334 11.087 1.00 0.00 N ATOM 1067 CA GLU A 67 6.321 0.249 12.433 1.00 0.00 C ATOM 1068 C GLU A 67 6.475 -1.215 12.850 1.00 0.00 C ATOM 1069 O GLU A 67 7.538 -1.620 13.322 1.00 0.00 O ATOM 1070 CB GLU A 67 5.443 1.012 13.427 1.00 0.00 C ATOM 1071 CG GLU A 67 5.782 2.504 13.424 1.00 0.00 C ATOM 1072 CD GLU A 67 4.573 3.341 13.000 1.00 0.00 C ATOM 1073 OE1 GLU A 67 4.315 3.389 11.778 1.00 0.00 O ATOM 1074 OE2 GLU A 67 3.932 3.912 13.909 1.00 0.00 O ATOM 0 H GLU A 67 4.934 0.899 11.002 1.00 0.00 H new ATOM 0 HA GLU A 67 7.307 0.715 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.393 0.873 13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.583 0.605 14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.109 2.808 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.614 2.690 12.745 1.00 0.00 H new ATOM 1081 N GLU A 68 5.403 -1.968 12.663 1.00 0.00 N ATOM 1082 CA GLU A 68 5.407 -3.377 13.014 1.00 0.00 C ATOM 1083 C GLU A 68 6.328 -4.157 12.073 1.00 0.00 C ATOM 1084 O GLU A 68 6.962 -5.127 12.484 1.00 0.00 O ATOM 1085 CB GLU A 68 3.988 -3.951 12.992 1.00 0.00 C ATOM 1086 CG GLU A 68 3.901 -5.231 13.828 1.00 0.00 C ATOM 1087 CD GLU A 68 2.582 -5.963 13.576 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.775 -5.422 12.789 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.411 -7.046 14.175 1.00 0.00 O ATOM 0 H GLU A 68 4.524 -1.629 12.272 1.00 0.00 H new ATOM 0 HA GLU A 68 5.789 -3.477 14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.287 -3.212 13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.693 -4.163 11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.737 -5.886 13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.988 -4.985 14.886 1.00 0.00 H new ATOM 1096 N SER A 69 6.372 -3.703 10.830 1.00 0.00 N ATOM 1097 CA SER A 69 7.204 -4.345 9.827 1.00 0.00 C ATOM 1098 C SER A 69 8.680 -4.199 10.201 1.00 0.00 C ATOM 1099 O SER A 69 9.408 -5.187 10.273 1.00 0.00 O ATOM 1100 CB SER A 69 6.947 -3.757 8.439 1.00 0.00 C ATOM 1101 OG SER A 69 7.988 -2.874 8.033 1.00 0.00 O ATOM 0 H SER A 69 5.844 -2.897 10.494 1.00 0.00 H new ATOM 0 HA SER A 69 6.947 -5.404 9.796 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.854 -4.566 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.998 -3.221 8.442 1.00 0.00 H new ATOM 0 HG SER A 69 7.788 -2.521 7.141 1.00 0.00 H new ATOM 1107 N LYS A 70 9.079 -2.955 10.430 1.00 0.00 N ATOM 1108 CA LYS A 70 10.455 -2.666 10.795 1.00 0.00 C ATOM 1109 C LYS A 70 10.746 -3.253 12.177 1.00 0.00 C ATOM 1110 O LYS A 70 11.906 -3.397 12.563 1.00 0.00 O ATOM 1111 CB LYS A 70 10.731 -1.164 10.695 1.00 0.00 C ATOM 1112 CG LYS A 70 10.550 -0.481 12.051 1.00 0.00 C ATOM 1113 CD LYS A 70 10.085 0.966 11.880 1.00 0.00 C ATOM 1114 CE LYS A 70 10.160 1.728 13.204 1.00 0.00 C ATOM 1115 NZ LYS A 70 9.290 1.091 14.218 1.00 0.00 N ATOM 0 H LYS A 70 8.473 -2.137 10.370 1.00 0.00 H new ATOM 0 HA LYS A 70 11.142 -3.141 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.747 -1.001 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.058 -0.715 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.822 -1.033 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.491 -0.501 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.704 1.465 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.061 0.981 11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.190 1.749 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.854 2.763 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.583 1.778 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.807 0.273 13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.868 0.774 15.022 1.00 0.00 H new ATOM 1129 N GLU A 71 9.674 -3.578 12.885 1.00 0.00 N ATOM 1130 CA GLU A 71 9.801 -4.148 14.215 1.00 0.00 C ATOM 1131 C GLU A 71 10.393 -5.557 14.138 1.00 0.00 C ATOM 1132 O GLU A 71 11.338 -5.877 14.856 1.00 0.00 O ATOM 1133 CB GLU A 71 8.452 -4.159 14.937 1.00 0.00 C ATOM 1134 CG GLU A 71 8.398 -3.074 16.015 1.00 0.00 C ATOM 1135 CD GLU A 71 7.727 -3.599 17.287 1.00 0.00 C ATOM 1136 OE1 GLU A 71 8.073 -4.731 17.686 1.00 0.00 O ATOM 1137 OE2 GLU A 71 6.884 -2.855 17.832 1.00 0.00 O ATOM 0 H GLU A 71 8.714 -3.457 12.562 1.00 0.00 H new ATOM 0 HA GLU A 71 10.481 -3.522 14.792 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.649 -4.002 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.286 -5.136 15.391 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.408 -2.735 16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.849 -2.210 15.640 1.00 0.00 H new ATOM 1144 N LYS A 72 9.812 -6.358 13.258 1.00 0.00 N ATOM 1145 CA LYS A 72 10.270 -7.726 13.076 1.00 0.00 C ATOM 1146 C LYS A 72 11.076 -7.821 11.779 1.00 0.00 C ATOM 1147 O LYS A 72 12.290 -8.018 11.812 1.00 0.00 O ATOM 1148 CB LYS A 72 9.090 -8.699 13.139 1.00 0.00 C ATOM 1149 CG LYS A 72 9.506 -10.095 12.669 1.00 0.00 C ATOM 1150 CD LYS A 72 10.235 -10.852 13.780 1.00 0.00 C ATOM 1151 CE LYS A 72 11.730 -10.969 13.472 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.357 -11.998 14.332 1.00 0.00 N ATOM 0 H LYS A 72 9.029 -6.087 12.663 1.00 0.00 H new ATOM 0 HA LYS A 72 10.936 -8.016 13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.712 -8.753 14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.275 -8.329 12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.624 -10.656 12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.153 -10.011 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.095 -10.336 14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.804 -11.847 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.872 -11.228 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.217 -10.007 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.371 -12.065 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.238 -11.735 15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.904 -12.918 14.159 1.00 0.00 H new ATOM 1166 N PHE A 73 10.368 -7.676 10.668 1.00 0.00 N ATOM 1167 CA PHE A 73 11.004 -7.742 9.363 1.00 0.00 C ATOM 1168 C PHE A 73 10.547 -6.586 8.471 1.00 0.00 C ATOM 1169 O PHE A 73 11.226 -5.565 8.378 1.00 0.00 O ATOM 1170 CB PHE A 73 10.572 -9.064 8.723 1.00 0.00 C ATOM 1171 CG PHE A 73 11.640 -10.159 8.778 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.219 -10.486 9.965 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.011 -10.804 7.640 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.210 -11.502 10.016 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.002 -11.821 7.691 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.580 -12.147 8.877 1.00 0.00 C ATOM 0 H PHE A 73 9.361 -7.513 10.645 1.00 0.00 H new ATOM 0 HA PHE A 73 12.086 -7.676 9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.673 -9.422 9.224 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.306 -8.882 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.925 -9.973 10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.553 -10.543 6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.669 -11.762 10.958 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.296 -12.335 6.788 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.334 -12.919 8.915 1.00 0.00 H new ATOM 1186 N GLY A 74 9.400 -6.785 7.839 1.00 0.00 N ATOM 1187 CA GLY A 74 8.846 -5.771 6.958 1.00 0.00 C ATOM 1188 C GLY A 74 9.648 -5.675 5.659 1.00 0.00 C ATOM 1189 O GLY A 74 9.438 -4.762 4.862 1.00 0.00 O ATOM 0 H GLY A 74 8.839 -7.633 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.807 -6.010 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.848 -4.805 7.463 1.00 0.00 H new ATOM 1193 N LYS A 75 10.551 -6.628 5.486 1.00 0.00 N ATOM 1194 CA LYS A 75 11.386 -6.663 4.298 1.00 0.00 C ATOM 1195 C LYS A 75 11.032 -7.897 3.466 1.00 0.00 C ATOM 1196 O LYS A 75 11.539 -8.987 3.720 1.00 0.00 O ATOM 1197 CB LYS A 75 12.866 -6.584 4.680 1.00 0.00 C ATOM 1198 CG LYS A 75 13.107 -5.475 5.708 1.00 0.00 C ATOM 1199 CD LYS A 75 12.809 -4.099 5.110 1.00 0.00 C ATOM 1200 CE LYS A 75 13.294 -2.982 6.037 1.00 0.00 C ATOM 1201 NZ LYS A 75 13.837 -1.854 5.249 1.00 0.00 N ATOM 0 H LYS A 75 10.723 -7.383 6.150 1.00 0.00 H new ATOM 0 HA LYS A 75 11.194 -5.791 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.192 -7.541 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.466 -6.396 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.476 -5.640 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.141 -5.510 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.295 -4.007 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.737 -3.996 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.470 -2.635 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.061 -3.367 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.162 -1.105 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.637 -2.186 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.095 -1.477 4.626 1.00 0.00 H new ATOM 1215 N PRO A 76 10.139 -7.676 2.462 1.00 0.00 N ATOM 1216 CA PRO A 76 9.711 -8.756 1.592 1.00 0.00 C ATOM 1217 C PRO A 76 10.805 -9.117 0.585 1.00 0.00 C ATOM 1218 O PRO A 76 11.834 -8.446 0.515 1.00 0.00 O ATOM 1219 CB PRO A 76 8.440 -8.248 0.930 1.00 0.00 C ATOM 1220 CG PRO A 76 8.459 -6.738 1.098 1.00 0.00 C ATOM 1221 CD PRO A 76 9.518 -6.396 2.133 1.00 0.00 C ATOM 0 HA PRO A 76 9.520 -9.682 2.135 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.412 -8.524 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.556 -8.682 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.682 -6.251 0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.482 -6.378 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.249 -5.692 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.075 -5.932 3.014 1.00 0.00 H new ATOM 1229 N ASN A 77 10.548 -10.176 -0.168 1.00 0.00 N ATOM 1230 CA ASN A 77 11.499 -10.634 -1.168 1.00 0.00 C ATOM 1231 C ASN A 77 11.933 -9.447 -2.031 1.00 0.00 C ATOM 1232 O ASN A 77 11.097 -8.695 -2.526 1.00 0.00 O ATOM 1233 CB ASN A 77 10.868 -11.682 -2.088 1.00 0.00 C ATOM 1234 CG ASN A 77 10.075 -12.712 -1.281 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.561 -13.779 -0.942 1.00 0.00 O ATOM 1236 ND2 ASN A 77 8.832 -12.336 -0.997 1.00 0.00 N ATOM 0 H ASN A 77 9.694 -10.731 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 77 12.350 -11.075 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.210 -11.192 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.647 -12.185 -2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.221 -12.955 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.489 -11.428 -1.312 1.00 0.00 H new ATOM 1243 N LYS A 78 13.244 -9.319 -2.185 1.00 0.00 N ATOM 1244 CA LYS A 78 13.802 -8.239 -2.981 1.00 0.00 C ATOM 1245 C LYS A 78 13.790 -8.638 -4.457 1.00 0.00 C ATOM 1246 O LYS A 78 14.769 -9.182 -4.965 1.00 0.00 O ATOM 1247 CB LYS A 78 15.186 -7.849 -2.459 1.00 0.00 C ATOM 1248 CG LYS A 78 15.590 -6.461 -2.959 1.00 0.00 C ATOM 1249 CD LYS A 78 15.162 -5.376 -1.968 1.00 0.00 C ATOM 1250 CE LYS A 78 16.340 -4.931 -1.101 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.733 -3.542 -1.432 1.00 0.00 N ATOM 0 H LYS A 78 13.935 -9.945 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 78 13.188 -7.343 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.184 -7.860 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.922 -8.585 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.670 -6.422 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.132 -6.273 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.762 -4.520 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.361 -5.754 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.069 -4.997 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.186 -5.601 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.534 -3.256 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.012 -3.489 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.929 -2.904 -1.262 1.00 0.00 H new ATOM 1265 N ARG A 79 12.669 -8.355 -5.106 1.00 0.00 N ATOM 1266 CA ARG A 79 12.517 -8.677 -6.513 1.00 0.00 C ATOM 1267 C ARG A 79 12.752 -7.432 -7.372 1.00 0.00 C ATOM 1268 O ARG A 79 13.122 -6.379 -6.856 1.00 0.00 O ATOM 1269 CB ARG A 79 11.121 -9.233 -6.803 1.00 0.00 C ATOM 1270 CG ARG A 79 10.935 -10.608 -6.160 1.00 0.00 C ATOM 1271 CD ARG A 79 11.639 -11.695 -6.975 1.00 0.00 C ATOM 1272 NE ARG A 79 11.545 -12.995 -6.275 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.417 -13.712 -6.173 1.00 0.00 C ATOM 1274 NH1 ARG A 79 9.282 -13.261 -6.723 1.00 0.00 N ATOM 1275 NH2 ARG A 79 10.425 -14.882 -5.517 1.00 0.00 N ATOM 0 H ARG A 79 11.858 -7.906 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 79 13.257 -9.438 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.365 -8.545 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.972 -9.308 -7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.332 -10.595 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.872 -10.837 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.185 -11.771 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.685 -11.428 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 79 12.390 -13.369 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.275 -12.371 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.425 -13.808 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.289 -15.225 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.567 -15.429 -5.439 1.00 0.00 H new ATOM 1289 N LYS A 80 12.525 -7.595 -8.668 1.00 0.00 N ATOM 1290 CA LYS A 80 12.707 -6.498 -9.602 1.00 0.00 C ATOM 1291 C LYS A 80 11.631 -5.438 -9.354 1.00 0.00 C ATOM 1292 O LYS A 80 11.940 -4.255 -9.227 1.00 0.00 O ATOM 1293 CB LYS A 80 12.737 -7.019 -11.041 1.00 0.00 C ATOM 1294 CG LYS A 80 14.061 -6.669 -11.723 1.00 0.00 C ATOM 1295 CD LYS A 80 13.919 -5.408 -12.578 1.00 0.00 C ATOM 1296 CE LYS A 80 14.742 -4.256 -11.996 1.00 0.00 C ATOM 1297 NZ LYS A 80 15.951 -4.017 -12.815 1.00 0.00 N ATOM 0 H LYS A 80 12.217 -8.470 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 80 13.672 -6.017 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.597 -8.100 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.909 -6.589 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.834 -6.517 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.384 -7.502 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.247 -5.616 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.870 -5.118 -12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.136 -3.351 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.030 -4.489 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.498 -3.232 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.536 -4.877 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.670 -3.774 -13.786 1.00 0.00 H new ATOM 1311 N GLY A 81 10.392 -5.903 -9.293 1.00 0.00 N ATOM 1312 CA GLY A 81 9.268 -5.010 -9.063 1.00 0.00 C ATOM 1313 C GLY A 81 9.280 -4.474 -7.629 1.00 0.00 C ATOM 1314 O GLY A 81 8.509 -3.576 -7.293 1.00 0.00 O ATOM 0 H GLY A 81 10.141 -6.886 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.309 -4.178 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.334 -5.539 -9.250 1.00 0.00 H new ATOM 1318 N PHE A 82 10.163 -5.047 -6.824 1.00 0.00 N ATOM 1319 CA PHE A 82 10.284 -4.639 -5.434 1.00 0.00 C ATOM 1320 C PHE A 82 11.145 -3.379 -5.307 1.00 0.00 C ATOM 1321 O PHE A 82 10.792 -2.454 -4.578 1.00 0.00 O ATOM 1322 CB PHE A 82 10.966 -5.787 -4.688 1.00 0.00 C ATOM 1323 CG PHE A 82 11.331 -5.457 -3.240 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.262 -4.502 -2.973 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.724 -6.119 -2.219 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.600 -4.197 -1.628 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.063 -5.814 -0.874 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.993 -4.859 -0.606 1.00 0.00 C ATOM 0 H PHE A 82 10.801 -5.790 -7.107 1.00 0.00 H new ATOM 0 HA PHE A 82 9.299 -4.417 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.307 -6.655 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.872 -6.069 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.744 -3.976 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.984 -6.877 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.339 -3.439 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.582 -6.341 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.250 -4.626 0.417 1.00 0.00 H new ATOM 1338 N SER A 83 12.255 -3.386 -6.028 1.00 0.00 N ATOM 1339 CA SER A 83 13.169 -2.257 -6.005 1.00 0.00 C ATOM 1340 C SER A 83 12.510 -1.037 -6.652 1.00 0.00 C ATOM 1341 O SER A 83 12.413 0.021 -6.035 1.00 0.00 O ATOM 1342 CB SER A 83 14.481 -2.594 -6.718 1.00 0.00 C ATOM 1343 OG SER A 83 15.450 -1.559 -6.570 1.00 0.00 O ATOM 0 H SER A 83 12.543 -4.156 -6.632 1.00 0.00 H new ATOM 0 HA SER A 83 13.402 -2.027 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.882 -3.526 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.286 -2.759 -7.778 1.00 0.00 H new ATOM 0 HG SER A 83 16.273 -1.812 -7.037 1.00 0.00 H new ATOM 1349 N GLU A 84 12.075 -1.226 -7.890 1.00 0.00 N ATOM 1350 CA GLU A 84 11.429 -0.155 -8.628 1.00 0.00 C ATOM 1351 C GLU A 84 10.058 0.154 -8.023 1.00 0.00 C ATOM 1352 O GLU A 84 9.533 1.253 -8.197 1.00 0.00 O ATOM 1353 CB GLU A 84 11.306 -0.508 -10.112 1.00 0.00 C ATOM 1354 CG GLU A 84 9.995 -1.244 -10.394 1.00 0.00 C ATOM 1355 CD GLU A 84 9.886 -1.621 -11.873 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.652 -2.517 -12.289 1.00 0.00 O ATOM 1357 OE2 GLU A 84 9.038 -1.006 -12.554 1.00 0.00 O ATOM 0 H GLU A 84 12.158 -2.106 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 84 12.049 0.738 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.353 0.402 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.149 -1.131 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.939 -2.143 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.152 -0.613 -10.112 1.00 0.00 H new ATOM 1364 N GLY A 85 9.517 -0.835 -7.327 1.00 0.00 N ATOM 1365 CA GLY A 85 8.217 -0.682 -6.696 1.00 0.00 C ATOM 1366 C GLY A 85 8.311 0.209 -5.455 1.00 0.00 C ATOM 1367 O GLY A 85 7.625 1.225 -5.364 1.00 0.00 O ATOM 0 H GLY A 85 9.955 -1.745 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.513 -0.249 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.827 -1.661 -6.417 1.00 0.00 H new ATOM 1371 N LEU A 86 9.167 -0.205 -4.532 1.00 0.00 N ATOM 1372 CA LEU A 86 9.360 0.543 -3.302 1.00 0.00 C ATOM 1373 C LEU A 86 9.814 1.963 -3.640 1.00 0.00 C ATOM 1374 O LEU A 86 9.558 2.898 -2.880 1.00 0.00 O ATOM 1375 CB LEU A 86 10.315 -0.201 -2.367 1.00 0.00 C ATOM 1376 CG LEU A 86 11.091 0.664 -1.372 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.284 1.343 -2.050 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.168 1.677 -0.689 1.00 0.00 C ATOM 0 H LEU A 86 9.734 -1.049 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 86 8.420 0.629 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.741 -0.939 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.032 -0.751 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 86 11.489 0.014 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.819 1.952 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.955 0.584 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.928 1.978 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.745 2.279 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.720 2.326 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.381 1.148 -0.152 1.00 0.00 H new ATOM 1390 N TRP A 87 10.479 2.084 -4.780 1.00 0.00 N ATOM 1391 CA TRP A 87 10.970 3.376 -5.227 1.00 0.00 C ATOM 1392 C TRP A 87 9.847 4.065 -6.005 1.00 0.00 C ATOM 1393 O TRP A 87 9.841 5.287 -6.141 1.00 0.00 O ATOM 1394 CB TRP A 87 12.255 3.221 -6.043 1.00 0.00 C ATOM 1395 CG TRP A 87 13.447 3.997 -5.479 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.793 5.269 -5.719 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.446 3.495 -4.566 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.934 5.623 -5.031 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.344 4.510 -4.307 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.585 2.225 -3.977 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.444 4.360 -3.452 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.689 2.091 -3.128 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.603 3.104 -2.856 1.00 0.00 C ATOM 0 H TRP A 87 10.689 1.308 -5.407 1.00 0.00 H new ATOM 0 HA TRP A 87 11.239 4.002 -4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.515 2.164 -6.095 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.068 3.554 -7.064 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.246 5.934 -6.371 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.393 6.534 -5.050 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.894 1.417 -4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.132 5.171 -3.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.842 1.135 -2.651 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.432 2.922 -2.188 1.00 0.00 H new ATOM 1414 N GLU A 88 8.924 3.250 -6.495 1.00 0.00 N ATOM 1415 CA GLU A 88 7.799 3.768 -7.256 1.00 0.00 C ATOM 1416 C GLU A 88 6.838 4.523 -6.335 1.00 0.00 C ATOM 1417 O GLU A 88 6.091 5.388 -6.788 1.00 0.00 O ATOM 1418 CB GLU A 88 7.076 2.641 -7.997 1.00 0.00 C ATOM 1419 CG GLU A 88 7.609 2.494 -9.425 1.00 0.00 C ATOM 1420 CD GLU A 88 6.593 3.016 -10.444 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.641 2.260 -10.735 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.795 4.158 -10.911 1.00 0.00 O ATOM 0 H GLU A 88 8.932 2.237 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 88 8.179 4.466 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.207 1.703 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.006 2.846 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.546 3.042 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.829 1.446 -9.629 1.00 0.00 H new ATOM 1429 N ILE A 89 6.889 4.167 -5.059 1.00 0.00 N ATOM 1430 CA ILE A 89 6.032 4.800 -4.072 1.00 0.00 C ATOM 1431 C ILE A 89 6.816 5.901 -3.353 1.00 0.00 C ATOM 1432 O ILE A 89 6.299 6.996 -3.139 1.00 0.00 O ATOM 1433 CB ILE A 89 5.437 3.754 -3.128 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.843 4.413 -1.882 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.471 2.684 -2.773 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.918 4.640 -0.817 1.00 0.00 C ATOM 0 H ILE A 89 7.510 3.449 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 89 5.181 5.278 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 89 4.620 3.253 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.387 5.365 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.051 3.784 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.022 1.953 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.804 2.184 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.325 3.152 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.469 5.110 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.355 3.683 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.696 5.289 -1.218 1.00 0.00 H new ATOM 1448 N GLU A 90 8.049 5.571 -3.002 1.00 0.00 N ATOM 1449 CA GLU A 90 8.910 6.517 -2.313 1.00 0.00 C ATOM 1450 C GLU A 90 9.420 7.580 -3.288 1.00 0.00 C ATOM 1451 O GLU A 90 9.682 8.714 -2.894 1.00 0.00 O ATOM 1452 CB GLU A 90 10.075 5.801 -1.625 1.00 0.00 C ATOM 1453 CG GLU A 90 9.707 5.407 -0.193 1.00 0.00 C ATOM 1454 CD GLU A 90 10.282 6.404 0.815 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.513 6.352 1.024 1.00 0.00 O ATOM 1456 OE2 GLU A 90 9.479 7.195 1.353 1.00 0.00 O ATOM 0 H GLU A 90 8.473 4.661 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 90 8.324 7.013 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.346 4.911 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.950 6.451 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.623 5.366 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.086 4.408 0.022 1.00 0.00 H new ATOM 1463 N ASN A 91 9.544 7.174 -4.542 1.00 0.00 N ATOM 1464 CA ASN A 91 10.016 8.076 -5.579 1.00 0.00 C ATOM 1465 C ASN A 91 9.119 7.949 -6.811 1.00 0.00 C ATOM 1466 O ASN A 91 9.551 7.448 -7.849 1.00 0.00 O ATOM 1467 CB ASN A 91 11.447 7.733 -5.998 1.00 0.00 C ATOM 1468 CG ASN A 91 12.325 7.451 -4.776 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.302 8.131 -4.512 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.921 6.414 -4.048 1.00 0.00 N ATOM 0 H ASN A 91 9.326 6.231 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 91 9.990 9.090 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.439 6.862 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.870 8.558 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.439 6.146 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.093 5.887 -4.326 1.00 0.00 H new ATOM 1477 N ASN A 92 7.886 8.408 -6.656 1.00 0.00 N ATOM 1478 CA ASN A 92 6.923 8.351 -7.743 1.00 0.00 C ATOM 1479 C ASN A 92 7.330 9.346 -8.832 1.00 0.00 C ATOM 1480 O ASN A 92 7.611 10.508 -8.542 1.00 0.00 O ATOM 1481 CB ASN A 92 5.522 8.725 -7.259 1.00 0.00 C ATOM 1482 CG ASN A 92 5.567 9.960 -6.355 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.533 10.705 -6.326 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.471 10.135 -5.622 1.00 0.00 N ATOM 0 H ASN A 92 7.531 8.821 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 92 6.910 7.331 -8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.877 8.920 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.085 7.887 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.403 10.931 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.698 9.473 -5.694 1.00 0.00 H new