USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 74 ASN : amide:sc= 0.596 K(o=1.8,f=-4.8!) USER MOD Set 1.2: A 76 SER OG : rot -85:sc= 1.18 USER MOD Set 2.1: A 36 HIS :FLIP no HE2:sc= -6.17! C(o=-11!,f=-6.8!) USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -0.618 F(o=-10,f=-6.8) USER MOD Single : A 19 GLN : amide:sc= -0.0726 K(o=-0.073,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.326 USER MOD Single : A 24 THR OG1 : rot 51:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= -3.45 K(o=-3.5,f=-11!) USER MOD Single : A 29 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-2.4!) USER MOD Single : A 30 TYR OH : rot -138:sc= -0.227 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -140:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.6!) USER MOD Single : A 45 GLN : amide:sc= -0.0807 K(o=-0.081,f=-2!) USER MOD Single : A 48 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 58 GLN : amide:sc= -0.103 K(o=-0.1,f=-3.2!) USER MOD Single : A 62 ASN : amide:sc= -1.75! C(o=-1.8!,f=-5.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1) USER MOD Single : A 71 CYS SG : rot 48:sc= -0.332 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc=-0.00466 (180deg=-0.131) USER MOD Single : A 77 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.4) USER MOD Single : A 78 MET CE :methyl -165:sc=-0.00212 (180deg=-0.156) USER MOD Single : A 81 ASN : amide:sc= -0.556 K(o=-0.56,f=-7.1!) USER MOD Single : A 85 CYS SG : rot 65:sc= 0.216 USER MOD Single : A 87 ASN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0775) USER MOD Single : A 100 SER OG : rot 12:sc= 0.421 USER MOD Single : A 106 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.5!) USER MOD Single : A 108 ASN : amide:sc=-0.00317 X(o=-0.0032,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0741) USER MOD Single : A 118 SER OG : rot 180:sc= -0.208 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.377 16.544 -5.323 1.00 0.00 N ATOM 202 CA GLY A 15 1.887 16.873 -3.997 1.00 0.00 C ATOM 203 C GLY A 15 1.322 15.668 -3.272 1.00 0.00 C ATOM 204 O GLY A 15 1.289 14.565 -3.818 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.699 17.299 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.116 17.639 -4.078 1.00 0.00 H new ATOM 208 N LEU A 16 0.877 15.878 -2.038 1.00 0.00 N ATOM 209 CA LEU A 16 0.312 14.799 -1.235 1.00 0.00 C ATOM 210 C LEU A 16 -0.780 14.062 -2.004 1.00 0.00 C ATOM 211 O LEU A 16 -0.782 12.833 -2.072 1.00 0.00 O ATOM 212 CB LEU A 16 -0.256 15.354 0.073 1.00 0.00 C ATOM 213 CG LEU A 16 0.769 15.851 1.092 1.00 0.00 C ATOM 214 CD1 LEU A 16 0.074 16.553 2.249 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.620 14.697 1.600 1.00 0.00 C ATOM 0 H LEU A 16 0.896 16.785 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 16 1.110 14.093 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.929 16.177 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.858 14.577 0.543 1.00 0.00 H new ATOM 0 HG LEU A 16 1.424 16.569 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.819 16.900 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.491 17.405 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.605 15.857 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.344 15.070 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.979 13.955 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.147 14.238 0.764 1.00 0.00 H new ATOM 227 N GLU A 17 -1.704 14.821 -2.584 1.00 0.00 N ATOM 228 CA GLU A 17 -2.800 14.239 -3.350 1.00 0.00 C ATOM 229 C GLU A 17 -2.276 13.535 -4.599 1.00 0.00 C ATOM 230 O GLU A 17 -2.860 12.555 -5.062 1.00 0.00 O ATOM 231 CB GLU A 17 -3.806 15.322 -3.746 1.00 0.00 C ATOM 232 CG GLU A 17 -4.574 15.899 -2.569 1.00 0.00 C ATOM 233 CD GLU A 17 -3.865 17.079 -1.932 1.00 0.00 C ATOM 234 OE1 GLU A 17 -3.994 18.203 -2.461 1.00 0.00 O ATOM 235 OE2 GLU A 17 -3.182 16.878 -0.906 1.00 0.00 O ATOM 0 H GLU A 17 -1.716 15.840 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.299 13.502 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.278 16.128 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.514 14.904 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.563 16.212 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.722 15.121 -1.820 1.00 0.00 H new ATOM 242 N ASP A 18 -1.173 14.041 -5.138 1.00 0.00 N ATOM 243 CA ASP A 18 -0.570 13.461 -6.332 1.00 0.00 C ATOM 244 C ASP A 18 0.080 12.118 -6.015 1.00 0.00 C ATOM 245 O ASP A 18 -0.041 11.164 -6.783 1.00 0.00 O ATOM 246 CB ASP A 18 0.468 14.418 -6.921 1.00 0.00 C ATOM 247 CG ASP A 18 -0.167 15.558 -7.693 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.978 16.298 -7.098 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.149 15.710 -8.891 1.00 0.00 O ATOM 0 H ASP A 18 -0.678 14.852 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.360 13.298 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.080 14.825 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.136 13.864 -7.581 1.00 0.00 H new ATOM 254 N GLN A 19 0.770 12.053 -4.881 1.00 0.00 N ATOM 255 CA GLN A 19 1.440 10.827 -4.464 1.00 0.00 C ATOM 256 C GLN A 19 0.461 9.659 -4.421 1.00 0.00 C ATOM 257 O GLN A 19 0.797 8.538 -4.806 1.00 0.00 O ATOM 258 CB GLN A 19 2.087 11.016 -3.091 1.00 0.00 C ATOM 259 CG GLN A 19 3.075 12.170 -3.038 1.00 0.00 C ATOM 260 CD GLN A 19 4.186 11.942 -2.032 1.00 0.00 C ATOM 261 OE1 GLN A 19 4.128 11.012 -1.226 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.206 12.791 -2.072 1.00 0.00 N ATOM 0 H GLN A 19 0.880 12.835 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 19 2.216 10.600 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.305 11.184 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.600 10.096 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.510 12.317 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.543 13.087 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.213 13.547 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.982 12.687 -1.419 1.00 0.00 H new ATOM 271 N LYS A 20 -0.752 9.927 -3.951 1.00 0.00 N ATOM 272 CA LYS A 20 -1.782 8.899 -3.858 1.00 0.00 C ATOM 273 C LYS A 20 -1.890 8.118 -5.164 1.00 0.00 C ATOM 274 O LYS A 20 -2.147 6.914 -5.159 1.00 0.00 O ATOM 275 CB LYS A 20 -3.133 9.531 -3.516 1.00 0.00 C ATOM 276 CG LYS A 20 -4.305 8.575 -3.657 1.00 0.00 C ATOM 277 CD LYS A 20 -5.617 9.322 -3.831 1.00 0.00 C ATOM 278 CE LYS A 20 -6.767 8.370 -4.118 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.085 9.061 -4.069 1.00 0.00 N ATOM 0 H LYS A 20 -1.047 10.849 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.500 8.208 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.101 9.905 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.297 10.391 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.141 7.921 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.363 7.937 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.833 9.894 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.524 10.038 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.629 7.920 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.756 7.558 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.843 8.378 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.228 9.469 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.106 9.820 -4.780 1.00 0.00 H new ATOM 293 N ARG A 21 -1.692 8.811 -6.281 1.00 0.00 N ATOM 294 CA ARG A 21 -1.767 8.182 -7.594 1.00 0.00 C ATOM 295 C ARG A 21 -0.492 7.401 -7.896 1.00 0.00 C ATOM 296 O ARG A 21 -0.544 6.280 -8.402 1.00 0.00 O ATOM 297 CB ARG A 21 -2.001 9.237 -8.676 1.00 0.00 C ATOM 298 CG ARG A 21 -2.613 8.678 -9.950 1.00 0.00 C ATOM 299 CD ARG A 21 -3.282 9.768 -10.772 1.00 0.00 C ATOM 300 NE ARG A 21 -2.327 10.479 -11.619 1.00 0.00 N ATOM 301 CZ ARG A 21 -2.610 11.609 -12.257 1.00 0.00 C ATOM 302 NH1 ARG A 21 -3.813 12.155 -12.144 1.00 0.00 N ATOM 303 NH2 ARG A 21 -1.688 12.197 -13.009 1.00 0.00 N ATOM 0 H ARG A 21 -1.478 9.808 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.606 7.486 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.655 10.013 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.051 9.714 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.838 8.195 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.345 7.911 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.060 9.326 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.772 10.477 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.392 10.086 -11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.524 11.707 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.027 13.023 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.761 11.781 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.907 13.065 -13.498 1.00 0.00 H new ATOM 317 N ILE A 22 0.651 8.002 -7.584 1.00 0.00 N ATOM 318 CA ILE A 22 1.940 7.362 -7.822 1.00 0.00 C ATOM 319 C ILE A 22 1.981 5.965 -7.212 1.00 0.00 C ATOM 320 O ILE A 22 2.349 4.997 -7.877 1.00 0.00 O ATOM 321 CB ILE A 22 3.098 8.197 -7.244 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.198 9.540 -7.969 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.408 7.431 -7.352 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.183 10.497 -7.335 1.00 0.00 C ATOM 0 H ILE A 22 0.711 8.931 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 22 2.061 7.287 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 22 2.898 8.389 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.490 9.364 -9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.213 10.006 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.217 8.034 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.331 6.497 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.616 7.212 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.202 11.428 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.881 10.703 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.177 10.051 -7.338 1.00 0.00 H new ATOM 336 N TYR A 23 1.600 5.868 -5.943 1.00 0.00 N ATOM 337 CA TYR A 23 1.594 4.589 -5.243 1.00 0.00 C ATOM 338 C TYR A 23 0.522 3.663 -5.809 1.00 0.00 C ATOM 339 O TYR A 23 0.776 2.487 -6.073 1.00 0.00 O ATOM 340 CB TYR A 23 1.359 4.805 -3.747 1.00 0.00 C ATOM 341 CG TYR A 23 2.459 5.589 -3.068 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.796 5.279 -3.286 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.162 6.638 -2.207 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.805 5.992 -2.667 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.164 7.358 -1.586 1.00 0.00 C ATOM 346 CZ TYR A 23 4.484 7.030 -1.818 1.00 0.00 C ATOM 347 OH TYR A 23 5.485 7.744 -1.200 1.00 0.00 O ATOM 0 H TYR A 23 1.291 6.659 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 23 2.567 4.119 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.413 5.328 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.262 3.835 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.051 4.467 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.130 6.895 -2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.839 5.738 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.916 8.173 -0.923 1.00 0.00 H new ATOM 0 HH TYR A 23 5.116 8.575 -0.834 1.00 0.00 H new ATOM 357 N THR A 24 -0.679 4.202 -5.995 1.00 0.00 N ATOM 358 CA THR A 24 -1.791 3.426 -6.529 1.00 0.00 C ATOM 359 C THR A 24 -1.336 2.533 -7.678 1.00 0.00 C ATOM 360 O THR A 24 -1.610 1.333 -7.690 1.00 0.00 O ATOM 361 CB THR A 24 -2.928 4.340 -7.023 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.543 5.001 -5.912 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.974 3.539 -7.785 1.00 0.00 C ATOM 0 H THR A 24 -0.906 5.174 -5.783 1.00 0.00 H new ATOM 0 HA THR A 24 -2.163 2.804 -5.714 1.00 0.00 H new ATOM 0 HB THR A 24 -2.500 5.083 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.852 5.418 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.767 4.206 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.509 3.060 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.396 2.776 -7.131 1.00 0.00 H new ATOM 371 N ASP A 25 -0.640 3.126 -8.642 1.00 0.00 N ATOM 372 CA ASP A 25 -0.145 2.384 -9.795 1.00 0.00 C ATOM 373 C ASP A 25 0.929 1.384 -9.378 1.00 0.00 C ATOM 374 O ASP A 25 0.960 0.253 -9.863 1.00 0.00 O ATOM 375 CB ASP A 25 0.415 3.344 -10.845 1.00 0.00 C ATOM 376 CG ASP A 25 0.857 2.630 -12.107 1.00 0.00 C ATOM 377 OD1 ASP A 25 1.998 2.120 -12.132 1.00 0.00 O ATOM 378 OD2 ASP A 25 0.063 2.579 -13.069 1.00 0.00 O ATOM 0 H ASP A 25 -0.406 4.119 -8.647 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.981 1.833 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.344 4.085 -11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.261 3.886 -10.423 1.00 0.00 H new ATOM 383 N TRP A 26 1.807 1.809 -8.477 1.00 0.00 N ATOM 384 CA TRP A 26 2.884 0.950 -7.996 1.00 0.00 C ATOM 385 C TRP A 26 2.331 -0.361 -7.449 1.00 0.00 C ATOM 386 O TRP A 26 2.843 -1.437 -7.757 1.00 0.00 O ATOM 387 CB TRP A 26 3.691 1.669 -6.913 1.00 0.00 C ATOM 388 CG TRP A 26 4.772 0.820 -6.317 1.00 0.00 C ATOM 389 CD1 TRP A 26 6.007 0.573 -6.846 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.715 0.104 -5.078 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.720 -0.253 -6.011 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.950 -0.554 -4.919 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.741 -0.043 -4.087 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.233 -1.347 -3.810 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.024 -0.830 -2.987 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.262 -1.474 -2.855 1.00 0.00 C ATOM 0 H TRP A 26 1.795 2.742 -8.065 1.00 0.00 H new ATOM 0 HA TRP A 26 3.539 0.723 -8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.138 2.567 -7.339 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.015 1.993 -6.121 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.370 0.969 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.669 -0.588 -6.177 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.784 0.450 -4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.186 -1.845 -3.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.278 -0.951 -2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.453 -2.082 -1.983 1.00 0.00 H new ATOM 407 N ALA A 27 1.284 -0.264 -6.636 1.00 0.00 N ATOM 408 CA ALA A 27 0.661 -1.444 -6.049 1.00 0.00 C ATOM 409 C ALA A 27 -0.129 -2.225 -7.093 1.00 0.00 C ATOM 410 O ALA A 27 -0.033 -3.449 -7.170 1.00 0.00 O ATOM 411 CB ALA A 27 -0.242 -1.043 -4.892 1.00 0.00 C ATOM 0 H ALA A 27 0.850 0.619 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 27 1.452 -2.092 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.701 -1.934 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.348 -0.535 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.021 -0.372 -5.254 1.00 0.00 H new ATOM 417 N ASN A 28 -0.910 -1.509 -7.895 1.00 0.00 N ATOM 418 CA ASN A 28 -1.718 -2.136 -8.935 1.00 0.00 C ATOM 419 C ASN A 28 -0.888 -3.127 -9.746 1.00 0.00 C ATOM 420 O ASN A 28 -1.362 -4.206 -10.100 1.00 0.00 O ATOM 421 CB ASN A 28 -2.311 -1.072 -9.861 1.00 0.00 C ATOM 422 CG ASN A 28 -3.607 -0.496 -9.324 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.532 -1.233 -8.983 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.679 0.828 -9.248 1.00 0.00 N ATOM 0 H ASN A 28 -1.001 -0.494 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.529 -2.680 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.588 -0.268 -9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.490 -1.508 -10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.526 1.273 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.887 1.400 -9.542 1.00 0.00 H new ATOM 431 N HIS A 29 0.354 -2.752 -10.035 1.00 0.00 N ATOM 432 CA HIS A 29 1.251 -3.607 -10.803 1.00 0.00 C ATOM 433 C HIS A 29 1.405 -4.971 -10.136 1.00 0.00 C ATOM 434 O HIS A 29 1.446 -6.001 -10.809 1.00 0.00 O ATOM 435 CB HIS A 29 2.620 -2.942 -10.954 1.00 0.00 C ATOM 436 CG HIS A 29 3.746 -3.918 -11.106 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.689 -5.008 -11.949 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.965 -3.962 -10.519 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.823 -5.681 -11.873 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.614 -5.067 -11.012 1.00 0.00 N ATOM 0 H HIS A 29 0.762 -1.862 -9.749 1.00 0.00 H new ATOM 0 HA HIS A 29 0.816 -3.753 -11.792 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.601 -2.283 -11.822 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.808 -2.315 -10.082 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.354 -3.259 -9.797 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.062 -6.580 -12.421 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.555 -5.365 -10.755 1.00 0.00 H new ATOM 449 N TYR A 30 1.492 -4.969 -8.811 1.00 0.00 N ATOM 450 CA TYR A 30 1.645 -6.205 -8.053 1.00 0.00 C ATOM 451 C TYR A 30 0.340 -6.995 -8.030 1.00 0.00 C ATOM 452 O TYR A 30 0.340 -8.210 -7.828 1.00 0.00 O ATOM 453 CB TYR A 30 2.095 -5.899 -6.623 1.00 0.00 C ATOM 454 CG TYR A 30 3.491 -5.325 -6.537 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.606 -6.155 -6.548 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.696 -3.954 -6.444 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.883 -5.636 -6.468 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.970 -3.426 -6.365 1.00 0.00 C ATOM 459 CZ TYR A 30 6.061 -4.271 -6.378 1.00 0.00 C ATOM 460 OH TYR A 30 7.331 -3.749 -6.299 1.00 0.00 O ATOM 0 H TYR A 30 1.459 -4.125 -8.239 1.00 0.00 H new ATOM 0 HA TYR A 30 2.406 -6.811 -8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.394 -5.196 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.051 -6.815 -6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.471 -7.224 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.845 -3.290 -6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.738 -6.295 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.111 -2.358 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 30 7.347 -3.027 -5.636 1.00 0.00 H new ATOM 470 N LEU A 31 -0.770 -6.296 -8.238 1.00 0.00 N ATOM 471 CA LEU A 31 -2.084 -6.931 -8.243 1.00 0.00 C ATOM 472 C LEU A 31 -2.357 -7.608 -9.582 1.00 0.00 C ATOM 473 O LEU A 31 -2.684 -8.793 -9.634 1.00 0.00 O ATOM 474 CB LEU A 31 -3.172 -5.897 -7.949 1.00 0.00 C ATOM 475 CG LEU A 31 -3.442 -5.607 -6.472 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.576 -4.604 -6.324 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.763 -6.893 -5.726 1.00 0.00 C ATOM 0 H LEU A 31 -0.787 -5.290 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.095 -7.693 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.898 -4.962 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.101 -6.236 -8.408 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.542 -5.173 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.754 -4.410 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.306 -3.673 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.481 -5.009 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.952 -6.667 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.648 -7.356 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.919 -7.579 -5.803 1.00 0.00 H new ATOM 489 N ALA A 32 -2.219 -6.847 -10.663 1.00 0.00 N ATOM 490 CA ALA A 32 -2.447 -7.374 -12.002 1.00 0.00 C ATOM 491 C ALA A 32 -1.545 -8.572 -12.282 1.00 0.00 C ATOM 492 O ALA A 32 -1.977 -9.565 -12.867 1.00 0.00 O ATOM 493 CB ALA A 32 -2.222 -6.287 -13.043 1.00 0.00 C ATOM 0 H ALA A 32 -1.950 -5.863 -10.637 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.482 -7.710 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.396 -6.695 -14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.912 -5.463 -12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.197 -5.924 -12.974 1.00 0.00 H new ATOM 499 N LYS A 33 -0.289 -8.471 -11.861 1.00 0.00 N ATOM 500 CA LYS A 33 0.676 -9.546 -12.064 1.00 0.00 C ATOM 501 C LYS A 33 0.200 -10.836 -11.404 1.00 0.00 C ATOM 502 O LYS A 33 0.330 -11.920 -11.973 1.00 0.00 O ATOM 503 CB LYS A 33 2.042 -9.146 -11.503 1.00 0.00 C ATOM 504 CG LYS A 33 2.238 -9.533 -10.047 1.00 0.00 C ATOM 505 CD LYS A 33 3.458 -8.854 -9.449 1.00 0.00 C ATOM 506 CE LYS A 33 4.737 -9.601 -9.793 1.00 0.00 C ATOM 507 NZ LYS A 33 5.887 -9.142 -8.965 1.00 0.00 N ATOM 0 H LYS A 33 0.085 -7.655 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 33 0.768 -9.720 -13.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.823 -9.613 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.165 -8.068 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.351 -9.260 -9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.348 -10.615 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.523 -7.830 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.349 -8.796 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.585 -10.670 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.969 -9.457 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.740 -9.675 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.049 -8.128 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.677 -9.302 -7.959 1.00 0.00 H new ATOM 521 N SER A 34 -0.352 -10.711 -10.201 1.00 0.00 N ATOM 522 CA SER A 34 -0.844 -11.868 -9.463 1.00 0.00 C ATOM 523 C SER A 34 -2.294 -12.171 -9.831 1.00 0.00 C ATOM 524 O SER A 34 -3.089 -12.579 -8.986 1.00 0.00 O ATOM 525 CB SER A 34 -0.729 -11.625 -7.957 1.00 0.00 C ATOM 526 OG SER A 34 0.604 -11.802 -7.512 1.00 0.00 O ATOM 0 H SER A 34 -0.470 -9.821 -9.717 1.00 0.00 H new ATOM 0 HA SER A 34 -0.231 -12.728 -9.733 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.063 -10.614 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.388 -12.310 -7.424 1.00 0.00 H new ATOM 0 HG SER A 34 0.602 -12.261 -6.646 1.00 0.00 H new ATOM 532 N GLY A 35 -2.630 -11.966 -11.101 1.00 0.00 N ATOM 533 CA GLY A 35 -3.983 -12.222 -11.561 1.00 0.00 C ATOM 534 C GLY A 35 -5.030 -11.663 -10.618 1.00 0.00 C ATOM 535 O GLY A 35 -5.768 -12.416 -9.981 1.00 0.00 O ATOM 0 H GLY A 35 -1.990 -11.627 -11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.117 -11.783 -12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.130 -13.297 -11.667 1.00 0.00 H new ATOM 539 N HIS A 36 -5.097 -10.338 -10.527 1.00 0.00 N ATOM 540 CA HIS A 36 -6.061 -9.679 -9.655 1.00 0.00 C ATOM 541 C HIS A 36 -6.901 -8.672 -10.435 1.00 0.00 C ATOM 542 O HIS A 36 -6.620 -7.473 -10.424 1.00 0.00 O ATOM 543 CB HIS A 36 -5.342 -8.977 -8.502 1.00 0.00 C ATOM 544 CG HIS A 36 -6.271 -8.318 -7.530 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.534 -7.009 -7.305 1.00 0.00 N flip ATOM 546 CD2 HIS A 36 -7.059 -9.022 -6.645 1.00 0.00 C flip ATOM 547 CE1 HIS A 36 -7.467 -6.948 -6.300 1.00 0.00 C flip ATOM 548 NE2 HIS A 36 -7.767 -8.176 -5.919 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.494 -9.700 -11.047 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.725 -10.441 -9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.729 -9.705 -7.970 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.664 -8.227 -8.910 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.117 -6.216 -7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.092 -10.098 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.887 -6.043 -5.888 1.00 0.00 H new ATOM 557 N LYS A 37 -7.931 -9.167 -11.112 1.00 0.00 N ATOM 558 CA LYS A 37 -8.813 -8.312 -11.898 1.00 0.00 C ATOM 559 C LYS A 37 -8.980 -6.948 -11.236 1.00 0.00 C ATOM 560 O LYS A 37 -8.409 -5.954 -11.687 1.00 0.00 O ATOM 561 CB LYS A 37 -10.180 -8.976 -12.072 1.00 0.00 C ATOM 562 CG LYS A 37 -10.126 -10.287 -12.839 1.00 0.00 C ATOM 563 CD LYS A 37 -11.437 -10.570 -13.552 1.00 0.00 C ATOM 564 CE LYS A 37 -11.385 -11.886 -14.313 1.00 0.00 C ATOM 565 NZ LYS A 37 -10.811 -11.716 -15.677 1.00 0.00 N ATOM 0 H LYS A 37 -8.176 -10.157 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.359 -8.168 -12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.614 -9.157 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.846 -8.287 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.315 -10.251 -13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.901 -11.103 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.249 -10.601 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.659 -9.757 -14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.786 -12.605 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.390 -12.300 -14.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.793 -12.635 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.396 -11.049 -16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.842 -11.345 -15.602 1.00 0.00 H new ATOM 579 N ARG A 38 -9.764 -6.907 -10.163 1.00 0.00 N ATOM 580 CA ARG A 38 -10.005 -5.665 -9.439 1.00 0.00 C ATOM 581 C ARG A 38 -8.713 -4.870 -9.279 1.00 0.00 C ATOM 582 O ARG A 38 -7.621 -5.439 -9.249 1.00 0.00 O ATOM 583 CB ARG A 38 -10.609 -5.960 -8.065 1.00 0.00 C ATOM 584 CG ARG A 38 -10.959 -4.711 -7.273 1.00 0.00 C ATOM 585 CD ARG A 38 -11.139 -5.021 -5.795 1.00 0.00 C ATOM 586 NE ARG A 38 -12.239 -5.952 -5.561 1.00 0.00 N ATOM 587 CZ ARG A 38 -12.381 -6.657 -4.444 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.496 -6.536 -3.464 1.00 0.00 N ATOM 589 NH2 ARG A 38 -13.409 -7.484 -4.306 1.00 0.00 N ATOM 0 H ARG A 38 -10.243 -7.720 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.710 -5.067 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.509 -6.562 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.904 -6.560 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.171 -3.968 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.876 -4.273 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.216 -5.444 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.326 -4.095 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.937 -6.068 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.705 -5.901 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.607 -7.078 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.092 -7.579 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.517 -8.025 -3.448 1.00 0.00 H new ATOM 603 N LEU A 39 -8.844 -3.552 -9.177 1.00 0.00 N ATOM 604 CA LEU A 39 -7.687 -2.677 -9.020 1.00 0.00 C ATOM 605 C LEU A 39 -7.896 -1.700 -7.868 1.00 0.00 C ATOM 606 O LEU A 39 -8.901 -1.765 -7.160 1.00 0.00 O ATOM 607 CB LEU A 39 -7.426 -1.907 -10.316 1.00 0.00 C ATOM 608 CG LEU A 39 -6.782 -2.703 -11.452 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.839 -1.918 -12.753 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.344 -3.061 -11.104 1.00 0.00 C ATOM 0 H LEU A 39 -9.740 -3.065 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.821 -3.298 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.374 -1.505 -10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.785 -1.056 -10.087 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.343 -3.628 -11.586 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.376 -2.500 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.879 -1.714 -13.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.303 -0.976 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.901 -3.627 -11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.771 -2.148 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.329 -3.664 -10.196 1.00 0.00 H new ATOM 622 N ILE A 40 -6.941 -0.794 -7.687 1.00 0.00 N ATOM 623 CA ILE A 40 -7.021 0.199 -6.623 1.00 0.00 C ATOM 624 C ILE A 40 -7.447 1.557 -7.170 1.00 0.00 C ATOM 625 O ILE A 40 -6.766 2.138 -8.016 1.00 0.00 O ATOM 626 CB ILE A 40 -5.675 0.351 -5.891 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.327 -0.938 -5.144 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.724 1.530 -4.931 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.892 -0.992 -4.668 1.00 0.00 C ATOM 0 H ILE A 40 -6.102 -0.727 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.770 -0.156 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.896 0.542 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.990 -1.041 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.517 -1.790 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.765 1.624 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.930 2.444 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.512 1.368 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.717 -1.933 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.222 -0.921 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.702 -0.161 -3.989 1.00 0.00 H new ATOM 641 N ARG A 41 -8.575 2.060 -6.679 1.00 0.00 N ATOM 642 CA ARG A 41 -9.091 3.351 -7.118 1.00 0.00 C ATOM 643 C ARG A 41 -8.605 4.470 -6.202 1.00 0.00 C ATOM 644 O ARG A 41 -7.920 5.393 -6.643 1.00 0.00 O ATOM 645 CB ARG A 41 -10.620 3.329 -7.148 1.00 0.00 C ATOM 646 CG ARG A 41 -11.196 2.486 -8.274 1.00 0.00 C ATOM 647 CD ARG A 41 -11.214 1.009 -7.911 1.00 0.00 C ATOM 648 NE ARG A 41 -12.457 0.624 -7.248 1.00 0.00 N ATOM 649 CZ ARG A 41 -12.653 -0.563 -6.685 1.00 0.00 C ATOM 650 NH1 ARG A 41 -11.692 -1.476 -6.706 1.00 0.00 N ATOM 651 NH2 ARG A 41 -13.812 -0.839 -6.101 1.00 0.00 N ATOM 0 H ARG A 41 -9.149 1.593 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.718 3.541 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.988 2.948 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.988 4.350 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.209 2.819 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.605 2.632 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.085 0.412 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.370 0.786 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.216 1.304 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.800 -1.268 -7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.844 -2.387 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.554 -0.139 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.961 -1.751 -5.669 1.00 0.00 H new ATOM 665 N ASP A 42 -8.964 4.382 -4.926 1.00 0.00 N ATOM 666 CA ASP A 42 -8.565 5.387 -3.948 1.00 0.00 C ATOM 667 C ASP A 42 -7.638 4.783 -2.897 1.00 0.00 C ATOM 668 O ASP A 42 -8.092 4.153 -1.942 1.00 0.00 O ATOM 669 CB ASP A 42 -9.797 5.990 -3.273 1.00 0.00 C ATOM 670 CG ASP A 42 -10.928 6.244 -4.251 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.641 6.434 -5.451 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.098 6.252 -3.816 1.00 0.00 O ATOM 0 H ASP A 42 -9.531 3.625 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.026 6.176 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.143 5.317 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.521 6.927 -2.790 1.00 0.00 H new ATOM 677 N LEU A 43 -6.337 4.980 -3.081 1.00 0.00 N ATOM 678 CA LEU A 43 -5.345 4.454 -2.149 1.00 0.00 C ATOM 679 C LEU A 43 -5.795 4.652 -0.705 1.00 0.00 C ATOM 680 O LEU A 43 -5.367 3.928 0.193 1.00 0.00 O ATOM 681 CB LEU A 43 -3.995 5.138 -2.372 1.00 0.00 C ATOM 682 CG LEU A 43 -2.771 4.400 -1.827 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.474 3.167 -2.666 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.564 5.326 -1.789 1.00 0.00 C ATOM 0 H LEU A 43 -5.945 5.500 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.240 3.385 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.858 5.286 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.031 6.127 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.988 4.077 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.600 2.655 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.332 2.495 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.277 3.466 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.702 4.785 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.345 5.679 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.779 6.178 -1.144 1.00 0.00 H new ATOM 696 N GLN A 44 -6.663 5.636 -0.491 1.00 0.00 N ATOM 697 CA GLN A 44 -7.173 5.927 0.844 1.00 0.00 C ATOM 698 C GLN A 44 -8.227 4.906 1.259 1.00 0.00 C ATOM 699 O GLN A 44 -8.257 4.463 2.407 1.00 0.00 O ATOM 700 CB GLN A 44 -7.765 7.336 0.890 1.00 0.00 C ATOM 701 CG GLN A 44 -6.717 8.436 0.919 1.00 0.00 C ATOM 702 CD GLN A 44 -7.286 9.795 0.562 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.413 10.139 -0.613 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.634 10.577 1.578 1.00 0.00 N ATOM 0 H GLN A 44 -7.027 6.244 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.340 5.867 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.407 7.480 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.399 7.426 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.272 8.483 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.916 8.188 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.512 10.252 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.024 11.502 1.399 1.00 0.00 H new ATOM 713 N GLN A 45 -9.089 4.536 0.317 1.00 0.00 N ATOM 714 CA GLN A 45 -10.145 3.568 0.587 1.00 0.00 C ATOM 715 C GLN A 45 -9.633 2.142 0.413 1.00 0.00 C ATOM 716 O GLN A 45 -9.848 1.286 1.271 1.00 0.00 O ATOM 717 CB GLN A 45 -11.338 3.811 -0.340 1.00 0.00 C ATOM 718 CG GLN A 45 -11.942 5.199 -0.203 1.00 0.00 C ATOM 719 CD GLN A 45 -13.373 5.264 -0.699 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.982 4.239 -1.010 1.00 0.00 O ATOM 721 NE2 GLN A 45 -13.919 6.472 -0.777 1.00 0.00 N ATOM 0 H GLN A 45 -9.077 4.892 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.465 3.696 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.022 3.662 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.107 3.067 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.910 5.503 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.335 5.912 -0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.378 7.294 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.879 6.578 -1.105 1.00 0.00 H new ATOM 730 N ASP A 46 -8.956 1.893 -0.702 1.00 0.00 N ATOM 731 CA ASP A 46 -8.413 0.571 -0.989 1.00 0.00 C ATOM 732 C ASP A 46 -7.749 -0.024 0.250 1.00 0.00 C ATOM 733 O ASP A 46 -7.599 -1.241 0.363 1.00 0.00 O ATOM 734 CB ASP A 46 -7.404 0.647 -2.136 1.00 0.00 C ATOM 735 CG ASP A 46 -5.990 0.896 -1.648 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.807 1.782 -0.787 1.00 0.00 O ATOM 737 OD2 ASP A 46 -5.067 0.205 -2.127 1.00 0.00 O ATOM 0 H ASP A 46 -8.770 2.590 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.238 -0.077 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.431 -0.284 -2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.695 1.444 -2.820 1.00 0.00 H new ATOM 742 N VAL A 47 -7.353 0.843 1.176 1.00 0.00 N ATOM 743 CA VAL A 47 -6.705 0.404 2.407 1.00 0.00 C ATOM 744 C VAL A 47 -7.566 0.721 3.624 1.00 0.00 C ATOM 745 O VAL A 47 -7.059 1.136 4.667 1.00 0.00 O ATOM 746 CB VAL A 47 -5.325 1.065 2.581 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.428 0.751 1.394 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.474 2.568 2.765 1.00 0.00 C ATOM 0 H VAL A 47 -7.469 1.853 1.098 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.575 -0.675 2.329 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.857 0.657 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.458 1.227 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.295 -0.328 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.888 1.129 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.489 3.019 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.963 2.995 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.077 2.768 3.651 1.00 0.00 H new ATOM 758 N THR A 48 -8.873 0.523 3.486 1.00 0.00 N ATOM 759 CA THR A 48 -9.806 0.788 4.574 1.00 0.00 C ATOM 760 C THR A 48 -9.998 -0.447 5.447 1.00 0.00 C ATOM 761 O THR A 48 -10.172 -0.339 6.661 1.00 0.00 O ATOM 762 CB THR A 48 -11.177 1.243 4.040 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.522 0.491 2.870 1.00 0.00 O ATOM 764 CG2 THR A 48 -11.164 2.728 3.709 1.00 0.00 C ATOM 0 H THR A 48 -9.310 0.180 2.631 1.00 0.00 H new ATOM 0 HA THR A 48 -9.373 1.589 5.173 1.00 0.00 H new ATOM 0 HB THR A 48 -11.921 1.067 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.150 0.930 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.143 3.026 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.931 3.299 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.409 2.925 2.948 1.00 0.00 H new ATOM 772 N ASP A 49 -9.963 -1.619 4.822 1.00 0.00 N ATOM 773 CA ASP A 49 -10.132 -2.875 5.543 1.00 0.00 C ATOM 774 C ASP A 49 -8.800 -3.607 5.677 1.00 0.00 C ATOM 775 O ASP A 49 -8.665 -4.530 6.479 1.00 0.00 O ATOM 776 CB ASP A 49 -11.149 -3.766 4.828 1.00 0.00 C ATOM 777 CG ASP A 49 -12.288 -2.972 4.221 1.00 0.00 C ATOM 778 OD1 ASP A 49 -12.920 -2.183 4.956 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.549 -3.138 3.011 1.00 0.00 O ATOM 0 H ASP A 49 -9.819 -1.725 3.818 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.502 -2.645 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.645 -4.331 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.552 -4.492 5.534 1.00 0.00 H new ATOM 784 N GLY A 50 -7.819 -3.190 4.883 1.00 0.00 N ATOM 785 CA GLY A 50 -6.511 -3.818 4.927 1.00 0.00 C ATOM 786 C GLY A 50 -6.399 -4.993 3.975 1.00 0.00 C ATOM 787 O GLY A 50 -5.298 -5.394 3.600 1.00 0.00 O ATOM 0 H GLY A 50 -7.906 -2.429 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.748 -3.080 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.308 -4.157 5.943 1.00 0.00 H new ATOM 791 N VAL A 51 -7.543 -5.547 3.585 1.00 0.00 N ATOM 792 CA VAL A 51 -7.569 -6.683 2.672 1.00 0.00 C ATOM 793 C VAL A 51 -6.804 -6.376 1.390 1.00 0.00 C ATOM 794 O VAL A 51 -5.733 -6.933 1.145 1.00 0.00 O ATOM 795 CB VAL A 51 -9.013 -7.081 2.312 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.018 -8.210 1.294 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.784 -7.475 3.563 1.00 0.00 C ATOM 0 H VAL A 51 -8.463 -5.227 3.887 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.088 -7.514 3.188 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.508 -6.219 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.047 -8.477 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.505 -7.886 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.506 -9.078 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.802 -7.753 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.292 -8.322 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.811 -6.633 4.254 1.00 0.00 H new ATOM 807 N LEU A 52 -7.359 -5.486 0.575 1.00 0.00 N ATOM 808 CA LEU A 52 -6.729 -5.103 -0.683 1.00 0.00 C ATOM 809 C LEU A 52 -5.291 -4.646 -0.455 1.00 0.00 C ATOM 810 O LEU A 52 -4.425 -4.837 -1.309 1.00 0.00 O ATOM 811 CB LEU A 52 -7.529 -3.989 -1.359 1.00 0.00 C ATOM 812 CG LEU A 52 -7.485 -3.963 -2.888 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.376 -2.856 -3.429 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.055 -3.785 -3.377 1.00 0.00 C ATOM 0 H LEU A 52 -8.244 -5.016 0.763 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.714 -5.977 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.570 -4.076 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.164 -3.031 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.859 -4.917 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.332 -2.853 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.404 -3.026 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.032 -1.894 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.043 -3.769 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.654 -2.846 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.443 -4.613 -3.019 1.00 0.00 H new ATOM 826 N LEU A 53 -5.045 -4.043 0.703 1.00 0.00 N ATOM 827 CA LEU A 53 -3.711 -3.560 1.045 1.00 0.00 C ATOM 828 C LEU A 53 -2.713 -4.712 1.101 1.00 0.00 C ATOM 829 O LEU A 53 -1.698 -4.701 0.405 1.00 0.00 O ATOM 830 CB LEU A 53 -3.741 -2.830 2.389 1.00 0.00 C ATOM 831 CG LEU A 53 -2.435 -2.834 3.184 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.287 -2.325 2.326 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.576 -1.992 4.444 1.00 0.00 C ATOM 0 H LEU A 53 -5.751 -3.877 1.420 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.392 -2.865 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.032 -1.795 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.520 -3.278 3.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.214 -3.860 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.366 -2.335 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.172 -2.968 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.500 -1.307 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.637 -2.006 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.821 -0.966 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.371 -2.401 5.068 1.00 0.00 H new ATOM 845 N ALA A 54 -3.010 -5.706 1.932 1.00 0.00 N ATOM 846 CA ALA A 54 -2.141 -6.867 2.076 1.00 0.00 C ATOM 847 C ALA A 54 -1.955 -7.582 0.742 1.00 0.00 C ATOM 848 O ALA A 54 -0.856 -8.028 0.415 1.00 0.00 O ATOM 849 CB ALA A 54 -2.705 -7.824 3.115 1.00 0.00 C ATOM 0 H ALA A 54 -3.846 -5.730 2.516 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.164 -6.519 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.045 -8.686 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.780 -7.315 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.695 -8.158 2.803 1.00 0.00 H new ATOM 855 N GLN A 55 -3.037 -7.688 -0.023 1.00 0.00 N ATOM 856 CA GLN A 55 -2.992 -8.350 -1.321 1.00 0.00 C ATOM 857 C GLN A 55 -1.701 -8.013 -2.061 1.00 0.00 C ATOM 858 O GLN A 55 -1.135 -8.855 -2.757 1.00 0.00 O ATOM 859 CB GLN A 55 -4.200 -7.944 -2.167 1.00 0.00 C ATOM 860 CG GLN A 55 -5.509 -8.551 -1.690 1.00 0.00 C ATOM 861 CD GLN A 55 -6.633 -8.376 -2.692 1.00 0.00 C ATOM 862 OE1 GLN A 55 -6.698 -7.202 -3.310 1.00 0.00 O flip ATOM 863 NE2 GLN A 55 -7.435 -9.285 -2.908 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.955 -7.324 0.234 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.021 -9.426 -1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.289 -6.858 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.026 -8.243 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.363 -9.614 -1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.795 -8.090 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.348 -10.171 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.187 -9.152 -3.585 1.00 0.00 H new ATOM 872 N ILE A 56 -1.243 -6.775 -1.905 1.00 0.00 N ATOM 873 CA ILE A 56 -0.019 -6.327 -2.558 1.00 0.00 C ATOM 874 C ILE A 56 1.209 -6.683 -1.727 1.00 0.00 C ATOM 875 O ILE A 56 2.129 -7.342 -2.212 1.00 0.00 O ATOM 876 CB ILE A 56 -0.036 -4.806 -2.803 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.118 -4.444 -3.821 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.328 -4.331 -3.280 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.462 -4.145 -3.194 1.00 0.00 C ATOM 0 H ILE A 56 -1.701 -6.065 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 56 0.033 -6.841 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.265 -4.304 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.792 -3.575 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.231 -5.266 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.300 -3.255 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.078 -4.560 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.585 -4.837 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.181 -3.896 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.810 -5.020 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.365 -3.303 -2.509 1.00 0.00 H new ATOM 891 N ILE A 57 1.216 -6.244 -0.473 1.00 0.00 N ATOM 892 CA ILE A 57 2.330 -6.519 0.426 1.00 0.00 C ATOM 893 C ILE A 57 2.804 -7.962 0.288 1.00 0.00 C ATOM 894 O ILE A 57 3.979 -8.216 0.022 1.00 0.00 O ATOM 895 CB ILE A 57 1.946 -6.256 1.894 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.332 -4.862 2.041 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.164 -6.402 2.794 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.097 -4.454 3.479 1.00 0.00 C ATOM 0 H ILE A 57 0.463 -5.696 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 57 3.138 -5.844 0.143 1.00 0.00 H new ATOM 0 HB ILE A 57 1.203 -6.994 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.989 -4.133 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.384 -4.833 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.877 -6.213 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.562 -7.413 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.927 -5.685 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.660 -3.456 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.416 -5.162 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.046 -4.450 4.016 1.00 0.00 H new ATOM 910 N GLN A 58 1.883 -8.902 0.468 1.00 0.00 N ATOM 911 CA GLN A 58 2.208 -10.320 0.362 1.00 0.00 C ATOM 912 C GLN A 58 2.906 -10.621 -0.960 1.00 0.00 C ATOM 913 O GLN A 58 3.821 -11.443 -1.017 1.00 0.00 O ATOM 914 CB GLN A 58 0.939 -11.166 0.487 1.00 0.00 C ATOM 915 CG GLN A 58 0.272 -11.065 1.849 1.00 0.00 C ATOM 916 CD GLN A 58 -1.128 -11.648 1.857 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.070 -11.021 2.342 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.271 -12.853 1.320 1.00 0.00 N ATOM 0 H GLN A 58 0.906 -8.708 0.688 1.00 0.00 H new ATOM 0 HA GLN A 58 2.887 -10.574 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.229 -10.856 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.187 -12.209 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.882 -11.585 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.228 -10.019 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.462 -13.336 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.190 -13.296 1.298 1.00 0.00 H new ATOM 927 N VAL A 59 2.469 -9.950 -2.021 1.00 0.00 N ATOM 928 CA VAL A 59 3.053 -10.145 -3.342 1.00 0.00 C ATOM 929 C VAL A 59 4.458 -9.560 -3.414 1.00 0.00 C ATOM 930 O VAL A 59 5.441 -10.291 -3.537 1.00 0.00 O ATOM 931 CB VAL A 59 2.184 -9.502 -4.440 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.873 -9.601 -5.793 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.811 -10.155 -4.483 1.00 0.00 C ATOM 0 H VAL A 59 1.712 -9.267 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 59 3.102 -11.221 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 59 2.052 -8.446 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.244 -9.142 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.831 -9.083 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.038 -10.649 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.211 -9.689 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.920 -11.218 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.317 -10.027 -3.520 1.00 0.00 H new ATOM 943 N VAL A 60 4.547 -8.236 -3.335 1.00 0.00 N ATOM 944 CA VAL A 60 5.833 -7.551 -3.390 1.00 0.00 C ATOM 945 C VAL A 60 6.817 -8.150 -2.391 1.00 0.00 C ATOM 946 O VAL A 60 8.027 -8.148 -2.618 1.00 0.00 O ATOM 947 CB VAL A 60 5.680 -6.046 -3.103 1.00 0.00 C ATOM 948 CG1 VAL A 60 5.120 -5.822 -1.706 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.014 -5.333 -3.272 1.00 0.00 C ATOM 0 H VAL A 60 3.743 -7.616 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 60 6.219 -7.683 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 60 4.976 -5.627 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.019 -4.752 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.143 -6.298 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.797 -6.255 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.887 -4.270 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.742 -5.753 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.370 -5.464 -4.294 1.00 0.00 H new ATOM 959 N ALA A 61 6.290 -8.663 -1.284 1.00 0.00 N ATOM 960 CA ALA A 61 7.121 -9.268 -0.251 1.00 0.00 C ATOM 961 C ALA A 61 7.301 -10.763 -0.496 1.00 0.00 C ATOM 962 O ALA A 61 8.288 -11.357 -0.066 1.00 0.00 O ATOM 963 CB ALA A 61 6.515 -9.026 1.123 1.00 0.00 C ATOM 0 H ALA A 61 5.291 -8.672 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 61 8.104 -8.799 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.146 -9.483 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.445 -7.954 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.519 -9.467 1.164 1.00 0.00 H new ATOM 969 N ASN A 62 6.340 -11.363 -1.190 1.00 0.00 N ATOM 970 CA ASN A 62 6.392 -12.789 -1.491 1.00 0.00 C ATOM 971 C ASN A 62 6.137 -13.620 -0.237 1.00 0.00 C ATOM 972 O ASN A 62 6.670 -14.719 -0.090 1.00 0.00 O ATOM 973 CB ASN A 62 7.751 -13.156 -2.092 1.00 0.00 C ATOM 974 CG ASN A 62 8.203 -12.164 -3.146 1.00 0.00 C ATOM 975 OD1 ASN A 62 8.613 -11.048 -2.829 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.130 -12.569 -4.409 1.00 0.00 N ATOM 0 H ASN A 62 5.516 -10.884 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 62 5.610 -13.010 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.496 -13.203 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.693 -14.151 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.421 -11.945 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.783 -13.504 -4.626 1.00 0.00 H new ATOM 983 N GLU A 63 5.317 -13.087 0.663 1.00 0.00 N ATOM 984 CA GLU A 63 4.991 -13.779 1.904 1.00 0.00 C ATOM 985 C GLU A 63 3.501 -13.668 2.214 1.00 0.00 C ATOM 986 O GLU A 63 2.833 -12.728 1.782 1.00 0.00 O ATOM 987 CB GLU A 63 5.809 -13.206 3.063 1.00 0.00 C ATOM 988 CG GLU A 63 6.217 -14.246 4.093 1.00 0.00 C ATOM 989 CD GLU A 63 5.032 -14.809 4.854 1.00 0.00 C ATOM 990 OE1 GLU A 63 4.383 -14.042 5.594 1.00 0.00 O ATOM 991 OE2 GLU A 63 4.755 -16.019 4.708 1.00 0.00 O ATOM 0 H GLU A 63 4.866 -12.178 0.556 1.00 0.00 H new ATOM 0 HA GLU A 63 5.240 -14.833 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.705 -12.731 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.228 -12.427 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.743 -15.060 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.918 -13.798 4.798 1.00 0.00 H new ATOM 998 N LYS A 64 2.986 -14.635 2.966 1.00 0.00 N ATOM 999 CA LYS A 64 1.575 -14.648 3.336 1.00 0.00 C ATOM 1000 C LYS A 64 1.390 -14.218 4.788 1.00 0.00 C ATOM 1001 O LYS A 64 2.053 -14.735 5.687 1.00 0.00 O ATOM 1002 CB LYS A 64 0.985 -16.044 3.127 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.501 -16.034 2.811 1.00 0.00 C ATOM 1004 CD LYS A 64 -1.048 -17.444 2.662 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.319 -18.083 4.016 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.680 -17.751 4.523 1.00 0.00 N ATOM 0 H LYS A 64 3.525 -15.420 3.331 1.00 0.00 H new ATOM 0 HA LYS A 64 1.050 -13.939 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.518 -16.537 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.153 -16.639 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.039 -15.516 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.675 -15.476 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.969 -17.418 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.336 -18.055 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.216 -19.165 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.571 -17.745 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.826 -18.205 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.770 -16.720 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.395 -18.096 3.851 1.00 0.00 H new ATOM 1020 N ILE A 65 0.484 -13.271 5.009 1.00 0.00 N ATOM 1021 CA ILE A 65 0.211 -12.775 6.352 1.00 0.00 C ATOM 1022 C ILE A 65 -0.911 -13.568 7.013 1.00 0.00 C ATOM 1023 O ILE A 65 -2.031 -13.617 6.506 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.172 -11.283 6.333 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.765 -10.505 5.408 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.133 -10.709 7.742 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.217 -9.160 4.984 1.00 0.00 C ATOM 0 H ILE A 65 -0.073 -12.832 4.276 1.00 0.00 H new ATOM 0 HA ILE A 65 1.128 -12.899 6.928 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.188 -11.188 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.720 -10.356 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.964 -11.104 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.406 -9.654 7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.838 -11.249 8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.873 -10.812 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.934 -8.665 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.723 -9.302 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.044 -8.543 5.866 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.602 -14.186 8.148 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.585 -14.977 8.880 1.00 0.00 C ATOM 1041 C GLU A 66 -2.392 -14.097 9.831 1.00 0.00 C ATOM 1042 O GLU A 66 -3.469 -14.482 10.286 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.893 -16.094 9.664 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.189 -17.111 8.781 1.00 0.00 C ATOM 1045 CD GLU A 66 0.151 -18.389 9.522 1.00 0.00 C ATOM 1046 OE1 GLU A 66 1.029 -18.344 10.409 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.459 -19.434 9.215 1.00 0.00 O ATOM 0 H GLU A 66 0.321 -14.155 8.581 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.268 -15.421 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.166 -15.652 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.633 -16.608 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.825 -17.348 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.726 -16.671 8.384 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.862 -12.915 10.126 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.532 -11.980 11.023 1.00 0.00 C ATOM 1056 C ASP A 67 -3.555 -11.139 10.265 1.00 0.00 C ATOM 1057 O ASP A 67 -3.782 -9.975 10.594 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.508 -11.069 11.702 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.812 -11.747 12.866 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -0.390 -12.912 12.707 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -0.692 -11.114 13.936 1.00 0.00 O ATOM 0 H ASP A 67 -0.971 -12.582 9.758 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.055 -12.557 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.764 -10.755 10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.007 -10.167 12.056 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.168 -11.737 9.249 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.167 -11.043 8.445 1.00 0.00 C ATOM 1068 C ILE A 68 -6.546 -11.668 8.623 1.00 0.00 C ATOM 1069 O ILE A 68 -6.725 -12.869 8.424 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.797 -11.060 6.950 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.422 -10.423 6.736 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.856 -10.335 6.134 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.399 -8.933 7.000 1.00 0.00 C ATOM 0 H ILE A 68 -3.991 -12.700 8.963 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.191 -10.010 8.793 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.753 -12.096 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.699 -10.911 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.101 -10.607 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.580 -10.356 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.819 -10.828 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.929 -9.301 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.393 -8.549 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.098 -8.434 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.689 -8.742 8.033 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.520 -10.844 8.997 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.885 -11.315 9.200 1.00 0.00 C ATOM 1087 C ASN A 69 -9.508 -11.762 7.881 1.00 0.00 C ATOM 1088 O ASN A 69 -9.865 -12.928 7.715 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.738 -10.214 9.832 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.968 -10.763 10.529 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -10.930 -11.844 11.118 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.066 -10.019 10.465 1.00 0.00 N ATOM 0 H ASN A 69 -7.389 -9.847 9.166 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.851 -12.171 9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.135 -9.658 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.046 -9.509 9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.924 -10.337 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.051 -9.130 9.966 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.634 -10.827 6.945 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.214 -11.144 5.653 1.00 0.00 C ATOM 1101 C GLY A 70 -11.573 -10.503 5.454 1.00 0.00 C ATOM 1102 O GLY A 70 -11.746 -9.659 4.574 1.00 0.00 O ATOM 0 H GLY A 70 -9.345 -9.855 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.540 -10.811 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.308 -12.226 5.556 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.539 -10.905 6.272 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.892 -10.366 6.180 1.00 0.00 C ATOM 1108 C CYS A 71 -14.296 -9.687 7.484 1.00 0.00 C ATOM 1109 O CYS A 71 -14.949 -10.280 8.344 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.885 -11.479 5.840 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.842 -12.880 6.983 1.00 0.00 S ATOM 0 H CYS A 71 -12.411 -11.602 7.006 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.907 -9.621 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.892 -11.062 5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.679 -11.839 4.832 1.00 0.00 H new ATOM 0 HG CYS A 71 -14.866 -12.442 8.207 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.900 -8.415 7.638 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.209 -7.629 8.836 1.00 0.00 C ATOM 1119 C PRO A 72 -15.690 -7.282 8.935 1.00 0.00 C ATOM 1120 O PRO A 72 -16.318 -6.906 7.945 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.373 -6.360 8.652 1.00 0.00 C ATOM 1122 CG PRO A 72 -13.186 -6.240 7.179 1.00 0.00 C ATOM 1123 CD PRO A 72 -13.119 -7.647 6.654 1.00 0.00 C ATOM 0 HA PRO A 72 -13.984 -8.175 9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.884 -5.487 9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.416 -6.438 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.012 -5.693 6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.273 -5.692 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.546 -7.724 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.091 -8.004 6.590 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.244 -7.409 10.136 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.652 -7.107 10.366 1.00 0.00 C ATOM 1133 C LYS A 73 -17.807 -5.857 11.225 1.00 0.00 C ATOM 1134 O LYS A 73 -18.616 -4.981 10.922 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.345 -8.292 11.042 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.032 -9.630 10.394 1.00 0.00 C ATOM 1137 CD LYS A 73 -16.714 -10.198 10.894 1.00 0.00 C ATOM 1138 CE LYS A 73 -16.589 -11.680 10.575 1.00 0.00 C ATOM 1139 NZ LYS A 73 -17.481 -12.509 11.432 1.00 0.00 N ATOM 0 H LYS A 73 -15.739 -7.719 10.966 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.121 -6.923 9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.047 -8.327 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.423 -8.131 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.836 -10.335 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.990 -9.510 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.886 -9.655 10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.638 -10.049 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.834 -11.848 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.555 -11.996 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.192 -13.506 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.411 -12.188 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.464 -12.413 11.105 1.00 0.00 H new ATOM 1153 N ASN A 74 -17.024 -5.780 12.296 1.00 0.00 N ATOM 1154 CA ASN A 74 -17.074 -4.635 13.199 1.00 0.00 C ATOM 1155 C ASN A 74 -16.152 -3.520 12.715 1.00 0.00 C ATOM 1156 O ASN A 74 -15.340 -3.720 11.812 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.681 -5.058 14.616 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.768 -3.913 15.606 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -15.750 -3.422 16.094 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.987 -3.483 15.908 1.00 0.00 N ATOM 0 H ASN A 74 -16.348 -6.496 12.560 1.00 0.00 H new ATOM 0 HA ASN A 74 -18.097 -4.258 13.210 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -17.332 -5.869 14.944 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.664 -5.450 14.606 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.108 -2.716 16.569 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.803 -3.920 15.479 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.283 -2.345 13.323 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.463 -1.198 12.953 1.00 0.00 C ATOM 1169 C ARG A 75 -14.024 -1.383 13.429 1.00 0.00 C ATOM 1170 O ARG A 75 -13.094 -0.812 12.860 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.046 0.085 13.547 1.00 0.00 C ATOM 1172 CG ARG A 75 -16.151 0.062 15.063 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.889 0.601 15.718 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.167 1.236 17.003 1.00 0.00 N ATOM 1175 CZ ARG A 75 -15.693 2.450 17.124 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -15.995 3.156 16.043 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -15.917 2.960 18.328 1.00 0.00 N ATOM 0 H ARG A 75 -16.949 -2.163 14.074 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.461 -1.119 11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.425 0.929 13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.037 0.253 13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.008 0.657 15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.330 -0.959 15.401 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.179 -0.214 15.862 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.415 1.322 15.052 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.945 0.719 17.854 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.824 2.767 15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.399 4.088 16.139 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.685 2.420 19.162 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.321 3.892 18.420 1.00 0.00 H new ATOM 1191 N SER A 76 -13.851 -2.185 14.475 1.00 0.00 N ATOM 1192 CA SER A 76 -12.527 -2.442 15.029 1.00 0.00 C ATOM 1193 C SER A 76 -11.870 -3.633 14.338 1.00 0.00 C ATOM 1194 O SER A 76 -10.646 -3.718 14.255 1.00 0.00 O ATOM 1195 CB SER A 76 -12.623 -2.700 16.534 1.00 0.00 C ATOM 1196 OG SER A 76 -13.257 -3.939 16.800 1.00 0.00 O ATOM 0 H SER A 76 -14.611 -2.668 14.955 1.00 0.00 H new ATOM 0 HA SER A 76 -11.910 -1.560 14.857 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.624 -2.698 16.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.181 -1.893 17.010 1.00 0.00 H new ATOM 0 HG SER A 76 -14.229 -3.814 16.808 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.695 -4.551 13.845 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.195 -5.739 13.162 1.00 0.00 C ATOM 1204 C GLN A 77 -11.248 -5.356 12.029 1.00 0.00 C ATOM 1205 O GLN A 77 -10.350 -6.119 11.674 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.359 -6.565 12.612 1.00 0.00 C ATOM 1207 CG GLN A 77 -14.010 -7.465 13.650 1.00 0.00 C ATOM 1208 CD GLN A 77 -13.123 -8.626 14.054 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.972 -8.720 13.627 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.656 -9.518 14.881 1.00 0.00 N ATOM 0 H GLN A 77 -13.712 -4.495 13.906 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.644 -6.339 13.886 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.112 -5.890 12.205 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.000 -7.178 11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.256 -6.876 14.533 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.949 -7.851 13.253 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.614 -9.400 15.210 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.107 -10.321 15.187 1.00 0.00 H new ATOM 1219 N MET A 78 -11.455 -4.171 11.465 1.00 0.00 N ATOM 1220 CA MET A 78 -10.619 -3.688 10.373 1.00 0.00 C ATOM 1221 C MET A 78 -9.240 -3.281 10.883 1.00 0.00 C ATOM 1222 O MET A 78 -8.222 -3.600 10.269 1.00 0.00 O ATOM 1223 CB MET A 78 -11.288 -2.501 9.676 1.00 0.00 C ATOM 1224 CG MET A 78 -12.536 -2.881 8.895 1.00 0.00 C ATOM 1225 SD MET A 78 -13.543 -1.450 8.459 1.00 0.00 S ATOM 1226 CE MET A 78 -15.191 -2.105 8.715 1.00 0.00 C ATOM 0 H MET A 78 -12.195 -3.527 11.746 1.00 0.00 H new ATOM 0 HA MET A 78 -10.497 -4.500 9.656 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.551 -1.752 10.423 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.572 -2.037 8.998 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.245 -3.407 7.986 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.133 -3.574 9.487 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.921 -1.448 8.242 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.260 -3.100 8.275 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.396 -2.166 9.784 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.215 -2.575 12.009 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.961 -2.126 12.601 1.00 0.00 C ATOM 1238 C ILE A 79 -6.901 -3.220 12.540 1.00 0.00 C ATOM 1239 O ILE A 79 -5.809 -3.011 12.013 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.154 -1.694 14.067 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.148 -0.534 14.153 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.819 -1.302 14.683 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.703 0.700 13.400 1.00 0.00 C ATOM 0 H ILE A 79 -10.049 -2.302 12.529 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.627 -1.267 12.019 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.558 -2.536 14.629 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.111 -0.861 13.761 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.302 -0.275 15.201 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.971 -0.999 15.719 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.139 -2.153 14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.389 -0.472 14.122 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.456 1.481 13.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.755 1.052 13.807 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.577 0.457 12.345 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.233 -4.388 13.081 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.309 -5.516 13.087 1.00 0.00 C ATOM 1257 C GLU A 80 -5.697 -5.725 11.704 1.00 0.00 C ATOM 1258 O GLU A 80 -4.476 -5.757 11.553 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.028 -6.790 13.536 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.088 -6.955 15.045 1.00 0.00 C ATOM 1261 CD GLU A 80 -5.776 -7.441 15.632 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -4.716 -6.922 15.226 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.812 -8.341 16.497 1.00 0.00 O ATOM 0 H GLU A 80 -8.134 -4.578 13.520 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.507 -5.292 13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.043 -6.783 13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.523 -7.654 13.104 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.354 -6.001 15.501 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.879 -7.661 15.298 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.555 -5.868 10.699 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.099 -6.075 9.329 1.00 0.00 C ATOM 1272 C ASN A 81 -4.863 -5.231 9.034 1.00 0.00 C ATOM 1273 O ASN A 81 -3.761 -5.758 8.879 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.215 -5.730 8.341 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.460 -6.567 8.560 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.767 -6.961 9.685 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.184 -6.843 7.482 1.00 0.00 N ATOM 0 H ASN A 81 -7.569 -5.844 10.807 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.834 -7.126 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.469 -4.674 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.854 -5.879 7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.033 -7.403 7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.892 -6.495 6.569 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.055 -3.918 8.957 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.956 -3.001 8.681 1.00 0.00 C ATOM 1286 C ILE A 82 -2.818 -3.191 9.679 1.00 0.00 C ATOM 1287 O ILE A 82 -1.647 -3.228 9.302 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.423 -1.534 8.725 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.553 -1.306 7.719 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.257 -0.599 8.441 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.517 -0.215 8.131 1.00 0.00 C ATOM 0 H ILE A 82 -5.961 -3.466 9.082 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.598 -3.230 7.677 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.802 -1.318 9.724 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.121 -1.052 6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.105 -2.237 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.602 0.434 8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.481 -0.747 9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.851 -0.813 7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.292 -0.108 7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.977 -0.477 9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.978 0.727 8.235 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.172 -3.312 10.954 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.181 -3.502 12.007 1.00 0.00 C ATOM 1305 C ASP A 83 -1.193 -4.602 11.633 1.00 0.00 C ATOM 1306 O ASP A 83 0.019 -4.394 11.650 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.869 -3.845 13.329 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.086 -3.360 14.533 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.603 -2.209 14.502 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.955 -4.131 15.506 1.00 0.00 O ATOM 0 H ASP A 83 -4.137 -3.282 11.283 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.630 -2.569 12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.864 -3.400 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.002 -4.925 13.397 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.721 -5.775 11.297 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.887 -6.908 10.918 1.00 0.00 C ATOM 1317 C ALA A 84 0.120 -6.513 9.842 1.00 0.00 C ATOM 1318 O ALA A 84 1.294 -6.877 9.915 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.752 -8.063 10.435 1.00 0.00 C ATOM 0 H ALA A 84 -2.723 -5.965 11.280 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.331 -7.229 11.799 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.115 -8.902 10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.428 -8.370 11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.334 -7.745 9.570 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.347 -5.769 8.846 1.00 0.00 N ATOM 1326 CA CYS A 85 0.512 -5.326 7.754 1.00 0.00 C ATOM 1327 C CYS A 85 1.636 -4.436 8.274 1.00 0.00 C ATOM 1328 O CYS A 85 2.811 -4.666 7.981 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.307 -4.573 6.706 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.755 -5.478 6.111 1.00 0.00 S ATOM 0 H CYS A 85 -1.316 -5.460 8.772 1.00 0.00 H new ATOM 0 HA CYS A 85 0.955 -6.208 7.292 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.634 -3.623 7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.336 -4.339 5.857 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.594 -5.646 7.090 1.00 0.00 H new ATOM 1336 N LEU A 86 1.270 -3.419 9.046 1.00 0.00 N ATOM 1337 CA LEU A 86 2.247 -2.492 9.606 1.00 0.00 C ATOM 1338 C LEU A 86 3.361 -3.245 10.326 1.00 0.00 C ATOM 1339 O LEU A 86 4.542 -2.967 10.125 1.00 0.00 O ATOM 1340 CB LEU A 86 1.565 -1.521 10.571 1.00 0.00 C ATOM 1341 CG LEU A 86 0.424 -0.686 9.989 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.264 0.114 11.083 1.00 0.00 C ATOM 1343 CD2 LEU A 86 0.943 0.237 8.896 1.00 0.00 C ATOM 0 H LEU A 86 0.303 -3.215 9.299 1.00 0.00 H new ATOM 0 HA LEU A 86 2.687 -1.927 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.177 -2.091 11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.321 -0.842 10.966 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.308 -1.363 9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.073 0.702 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.670 -0.567 11.831 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.458 0.782 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.118 0.824 8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.695 0.907 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.389 -0.358 8.099 1.00 0.00 H new ATOM 1355 N ASN A 87 2.975 -4.200 11.165 1.00 0.00 N ATOM 1356 CA ASN A 87 3.941 -4.995 11.915 1.00 0.00 C ATOM 1357 C ASN A 87 4.716 -5.927 10.988 1.00 0.00 C ATOM 1358 O ASN A 87 5.931 -6.076 11.114 1.00 0.00 O ATOM 1359 CB ASN A 87 3.232 -5.810 12.998 1.00 0.00 C ATOM 1360 CG ASN A 87 2.677 -4.938 14.108 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.422 -4.437 14.950 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.362 -4.753 14.112 1.00 0.00 N ATOM 0 H ASN A 87 2.000 -4.443 11.343 1.00 0.00 H new ATOM 0 HA ASN A 87 4.647 -4.312 12.387 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.420 -6.380 12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.931 -6.532 13.422 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.930 -4.175 14.834 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.784 -5.188 13.394 1.00 0.00 H new ATOM 1369 N PHE A 88 4.003 -6.551 10.055 1.00 0.00 N ATOM 1370 CA PHE A 88 4.623 -7.468 9.106 1.00 0.00 C ATOM 1371 C PHE A 88 5.733 -6.773 8.323 1.00 0.00 C ATOM 1372 O PHE A 88 6.767 -7.372 8.025 1.00 0.00 O ATOM 1373 CB PHE A 88 3.573 -8.023 8.141 1.00 0.00 C ATOM 1374 CG PHE A 88 4.162 -8.631 6.900 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.715 -7.828 5.915 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.161 -10.004 6.717 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.258 -8.384 4.772 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.703 -10.565 5.577 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.251 -9.754 4.602 1.00 0.00 C ATOM 0 H PHE A 88 2.996 -6.438 9.936 1.00 0.00 H new ATOM 0 HA PHE A 88 5.061 -8.292 9.669 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.978 -8.776 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.893 -7.220 7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.722 -6.756 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.732 -10.643 7.474 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.687 -7.747 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.698 -11.637 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.673 -10.191 3.709 1.00 0.00 H new ATOM 1389 N LEU A 89 5.511 -5.506 7.992 1.00 0.00 N ATOM 1390 CA LEU A 89 6.491 -4.727 7.243 1.00 0.00 C ATOM 1391 C LEU A 89 7.715 -4.423 8.101 1.00 0.00 C ATOM 1392 O LEU A 89 8.841 -4.756 7.734 1.00 0.00 O ATOM 1393 CB LEU A 89 5.865 -3.423 6.747 1.00 0.00 C ATOM 1394 CG LEU A 89 4.925 -3.544 5.546 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.483 -2.168 5.074 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.601 -4.307 4.416 1.00 0.00 C ATOM 0 H LEU A 89 4.661 -4.996 8.231 1.00 0.00 H new ATOM 0 HA LEU A 89 6.809 -5.319 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.313 -2.972 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.668 -2.734 6.486 1.00 0.00 H new ATOM 0 HG LEU A 89 4.040 -4.100 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.815 -2.274 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.960 -1.657 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.357 -1.586 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.918 -4.384 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.503 -3.778 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.867 -5.307 4.760 1.00 0.00 H new ATOM 1408 N ALA A 90 7.485 -3.789 9.247 1.00 0.00 N ATOM 1409 CA ALA A 90 8.568 -3.444 10.159 1.00 0.00 C ATOM 1410 C ALA A 90 9.543 -4.605 10.319 1.00 0.00 C ATOM 1411 O ALA A 90 10.758 -4.410 10.347 1.00 0.00 O ATOM 1412 CB ALA A 90 8.008 -3.032 11.512 1.00 0.00 C ATOM 0 H ALA A 90 6.559 -3.504 9.565 1.00 0.00 H new ATOM 0 HA ALA A 90 9.114 -2.602 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.828 -2.777 12.183 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.358 -2.166 11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.436 -3.857 11.936 1.00 0.00 H new ATOM 1418 N ALA A 91 9.002 -5.815 10.425 1.00 0.00 N ATOM 1419 CA ALA A 91 9.825 -7.008 10.581 1.00 0.00 C ATOM 1420 C ALA A 91 10.749 -7.198 9.384 1.00 0.00 C ATOM 1421 O ALA A 91 11.910 -7.579 9.537 1.00 0.00 O ATOM 1422 CB ALA A 91 8.944 -8.235 10.771 1.00 0.00 C ATOM 0 H ALA A 91 7.998 -5.994 10.406 1.00 0.00 H new ATOM 0 HA ALA A 91 10.445 -6.878 11.468 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.571 -9.119 10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.330 -8.107 11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.299 -8.358 9.901 1.00 0.00 H new ATOM 1428 N LYS A 92 10.228 -6.933 8.191 1.00 0.00 N ATOM 1429 CA LYS A 92 11.006 -7.074 6.966 1.00 0.00 C ATOM 1430 C LYS A 92 12.185 -6.106 6.957 1.00 0.00 C ATOM 1431 O LYS A 92 13.195 -6.350 6.298 1.00 0.00 O ATOM 1432 CB LYS A 92 10.120 -6.827 5.743 1.00 0.00 C ATOM 1433 CG LYS A 92 9.082 -7.912 5.515 1.00 0.00 C ATOM 1434 CD LYS A 92 9.711 -9.175 4.950 1.00 0.00 C ATOM 1435 CE LYS A 92 8.657 -10.213 4.597 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.194 -11.262 3.687 1.00 0.00 N ATOM 0 H LYS A 92 9.268 -6.619 8.046 1.00 0.00 H new ATOM 0 HA LYS A 92 11.393 -8.092 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.613 -5.869 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.751 -6.748 4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.583 -8.143 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.317 -7.547 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.291 -8.927 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.406 -9.594 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.287 -10.679 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.808 -9.721 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.520 -12.052 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.335 -10.860 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.103 -11.608 4.054 1.00 0.00 H new ATOM 1450 N GLY A 93 12.050 -5.007 7.693 1.00 0.00 N ATOM 1451 CA GLY A 93 13.112 -4.021 7.756 1.00 0.00 C ATOM 1452 C GLY A 93 12.669 -2.659 7.260 1.00 0.00 C ATOM 1453 O GLY A 93 13.445 -1.936 6.634 1.00 0.00 O ATOM 0 H GLY A 93 11.223 -4.782 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.462 -3.933 8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.958 -4.364 7.160 1.00 0.00 H new ATOM 1457 N ILE A 94 11.418 -2.308 7.538 1.00 0.00 N ATOM 1458 CA ILE A 94 10.873 -1.024 7.115 1.00 0.00 C ATOM 1459 C ILE A 94 10.460 -0.180 8.315 1.00 0.00 C ATOM 1460 O ILE A 94 10.168 -0.708 9.387 1.00 0.00 O ATOM 1461 CB ILE A 94 9.657 -1.207 6.187 1.00 0.00 C ATOM 1462 CG1 ILE A 94 10.010 -2.138 5.025 1.00 0.00 C ATOM 1463 CG2 ILE A 94 9.180 0.141 5.667 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.799 -2.711 4.321 1.00 0.00 C ATOM 0 H ILE A 94 10.763 -2.895 8.054 1.00 0.00 H new ATOM 0 HA ILE A 94 11.664 -0.510 6.568 1.00 0.00 H new ATOM 0 HB ILE A 94 8.847 -1.661 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.615 -1.591 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.624 -2.957 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.320 -0.005 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.894 0.774 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.984 0.621 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.124 -3.361 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.204 -3.286 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.195 -1.899 3.916 1.00 0.00 H new ATOM 1526 N GLY A 98 5.016 5.957 13.375 1.00 0.00 N ATOM 1527 CA GLY A 98 4.379 7.195 12.966 1.00 0.00 C ATOM 1528 C GLY A 98 3.000 6.970 12.378 1.00 0.00 C ATOM 1529 O GLY A 98 2.107 7.805 12.531 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.300 7.861 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.007 7.697 12.230 1.00 0.00 H new ATOM 1533 N LEU A 99 2.824 5.840 11.701 1.00 0.00 N ATOM 1534 CA LEU A 99 1.544 5.508 11.086 1.00 0.00 C ATOM 1535 C LEU A 99 0.485 5.231 12.148 1.00 0.00 C ATOM 1536 O LEU A 99 0.779 5.216 13.343 1.00 0.00 O ATOM 1537 CB LEU A 99 1.696 4.292 10.171 1.00 0.00 C ATOM 1538 CG LEU A 99 2.799 4.379 9.115 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.086 3.006 8.528 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.411 5.360 8.018 1.00 0.00 C ATOM 0 H LEU A 99 3.552 5.139 11.564 1.00 0.00 H new ATOM 0 HA LEU A 99 1.221 6.363 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.884 3.416 10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.747 4.124 9.663 1.00 0.00 H new ATOM 0 HG LEU A 99 3.707 4.743 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.873 3.088 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.409 2.331 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.182 2.613 8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.207 5.409 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.490 5.026 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.258 6.348 8.451 1.00 0.00 H new ATOM 1552 N SER A 100 -0.748 5.010 11.703 1.00 0.00 N ATOM 1553 CA SER A 100 -1.852 4.734 12.615 1.00 0.00 C ATOM 1554 C SER A 100 -2.916 3.877 11.937 1.00 0.00 C ATOM 1555 O SER A 100 -3.663 4.355 11.084 1.00 0.00 O ATOM 1556 CB SER A 100 -2.473 6.043 13.107 1.00 0.00 C ATOM 1557 OG SER A 100 -1.666 6.648 14.103 1.00 0.00 O ATOM 0 H SER A 100 -1.007 5.017 10.717 1.00 0.00 H new ATOM 0 HA SER A 100 -1.457 4.183 13.469 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.596 6.728 12.268 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.468 5.849 13.509 1.00 0.00 H new ATOM 0 HG SER A 100 -0.795 6.200 14.135 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.977 2.606 12.323 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.950 1.682 11.755 1.00 0.00 C ATOM 1565 C ALA A 101 -5.330 2.324 11.663 1.00 0.00 C ATOM 1566 O ALA A 101 -5.982 2.268 10.621 1.00 0.00 O ATOM 1567 CB ALA A 101 -4.014 0.407 12.583 1.00 0.00 C ATOM 0 H ALA A 101 -2.364 2.194 13.026 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.627 1.431 10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.745 -0.274 12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.034 -0.070 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.309 0.650 13.604 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.768 2.934 12.760 1.00 0.00 N ATOM 1574 CA GLU A 102 -7.072 3.586 12.802 1.00 0.00 C ATOM 1575 C GLU A 102 -7.201 4.617 11.684 1.00 0.00 C ATOM 1576 O GLU A 102 -8.140 4.572 10.891 1.00 0.00 O ATOM 1577 CB GLU A 102 -7.287 4.258 14.159 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.667 4.874 14.321 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.751 5.814 15.508 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -8.150 6.907 15.442 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.416 5.457 16.503 1.00 0.00 O ATOM 0 H GLU A 102 -5.240 2.990 13.631 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.837 2.823 12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.132 3.522 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.534 5.034 14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.927 5.418 13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.404 4.079 14.439 1.00 0.00 H new ATOM 1588 N GLU A 103 -6.250 5.545 11.631 1.00 0.00 N ATOM 1589 CA GLU A 103 -6.259 6.588 10.612 1.00 0.00 C ATOM 1590 C GLU A 103 -6.428 5.988 9.220 1.00 0.00 C ATOM 1591 O GLU A 103 -7.325 6.375 8.470 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.965 7.403 10.674 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.833 8.240 11.935 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.666 9.506 11.884 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.893 9.418 12.102 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -5.092 10.585 11.627 1.00 0.00 O ATOM 0 H GLU A 103 -5.465 5.596 12.281 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.105 7.246 10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.115 6.724 10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.917 8.060 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.137 7.644 12.796 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.786 8.504 12.084 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.561 5.040 8.881 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.615 4.386 7.580 1.00 0.00 C ATOM 1605 C ILE A 104 -7.036 3.949 7.242 1.00 0.00 C ATOM 1606 O ILE A 104 -7.548 4.246 6.163 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.687 3.158 7.528 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -3.240 3.572 7.807 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.795 2.469 6.176 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -2.227 2.508 7.449 1.00 0.00 C ATOM 0 H ILE A 104 -4.813 4.708 9.489 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.278 5.118 6.846 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.998 2.453 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.016 4.479 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.138 3.818 8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.133 1.603 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.823 2.144 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.506 3.165 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.224 2.871 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.425 1.607 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.301 2.279 6.386 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.669 3.244 8.174 1.00 0.00 N ATOM 1623 CA ARG A 105 -9.033 2.767 7.976 1.00 0.00 C ATOM 1624 C ARG A 105 -9.969 3.922 7.634 1.00 0.00 C ATOM 1625 O ARG A 105 -10.958 3.744 6.925 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.531 2.046 9.230 1.00 0.00 C ATOM 1627 CG ARG A 105 -11.044 1.926 9.303 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.492 1.314 10.621 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.861 1.691 10.962 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.204 2.897 11.400 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.283 3.839 11.548 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.472 3.163 11.689 1.00 0.00 N ATOM 0 H ARG A 105 -7.260 2.990 9.073 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.029 2.067 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -9.094 1.048 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.174 2.579 10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.494 2.912 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.402 1.313 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.420 0.228 10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.819 1.634 11.417 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.594 0.990 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.308 3.638 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.549 4.764 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.183 2.441 11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.735 4.089 12.025 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.650 5.107 8.146 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.463 6.291 7.896 1.00 0.00 C ATOM 1648 C ASN A 106 -10.129 6.904 6.539 1.00 0.00 C ATOM 1649 O ASN A 106 -10.866 7.746 6.028 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.246 7.326 9.002 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.807 6.873 10.336 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.949 6.420 10.420 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -10.004 6.993 11.387 1.00 0.00 N ATOM 0 H ASN A 106 -8.835 5.272 8.736 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.510 5.988 7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.179 7.523 9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.716 8.266 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.326 6.704 12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.065 7.374 11.271 1.00 0.00 H new ATOM 1660 N GLY A 107 -9.013 6.473 5.959 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.602 6.988 4.667 1.00 0.00 C ATOM 1662 C GLY A 107 -7.717 8.213 4.786 1.00 0.00 C ATOM 1663 O GLY A 107 -7.647 9.029 3.867 1.00 0.00 O ATOM 0 H GLY A 107 -8.386 5.776 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.068 6.209 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.486 7.238 4.081 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.040 8.344 5.922 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.157 9.480 6.159 1.00 0.00 C ATOM 1669 C ASN A 108 -4.958 9.443 5.216 1.00 0.00 C ATOM 1670 O ASN A 108 -3.988 8.722 5.454 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.676 9.485 7.612 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.192 10.851 8.056 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.976 11.793 8.171 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -3.893 10.965 8.308 1.00 0.00 N ATOM 0 H ASN A 108 -7.086 7.678 6.693 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.721 10.393 5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.489 9.162 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.869 8.762 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.509 11.860 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.280 10.157 8.199 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.031 10.226 4.145 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.952 10.285 3.165 1.00 0.00 C ATOM 1683 C LEU A 109 -2.591 10.193 3.848 1.00 0.00 C ATOM 1684 O LEU A 109 -1.888 9.190 3.723 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.042 11.579 2.355 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.522 11.508 0.918 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.567 10.893 0.001 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.126 12.893 0.426 1.00 0.00 C ATOM 0 H LEU A 109 -5.826 10.829 3.933 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.059 9.434 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.085 11.896 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.487 12.354 2.883 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.637 10.872 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.179 10.851 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.802 9.885 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.471 11.502 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.758 12.824 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.994 13.552 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.342 13.296 1.067 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.226 11.246 4.572 1.00 0.00 N ATOM 1701 CA LYS A 110 -0.951 11.284 5.278 1.00 0.00 C ATOM 1702 C LYS A 110 -0.571 9.899 5.792 1.00 0.00 C ATOM 1703 O LYS A 110 0.585 9.487 5.699 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.021 12.271 6.446 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.618 13.687 6.071 1.00 0.00 C ATOM 1706 CD LYS A 110 -1.332 14.154 4.813 1.00 0.00 C ATOM 1707 CE LYS A 110 -2.727 14.674 5.125 1.00 0.00 C ATOM 1708 NZ LYS A 110 -2.689 16.017 5.765 1.00 0.00 N ATOM 0 H LYS A 110 -2.796 12.085 4.685 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.185 11.614 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.037 12.284 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.373 11.918 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.850 14.363 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.460 13.731 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.749 14.939 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.400 13.329 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.309 14.727 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.237 13.972 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.649 16.416 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.323 15.929 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.068 16.646 5.216 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.553 9.184 6.332 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.322 7.844 6.857 1.00 0.00 C ATOM 1724 C ALA A 111 -1.005 6.862 5.734 1.00 0.00 C ATOM 1725 O ALA A 111 0.089 6.299 5.679 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.532 7.371 7.649 1.00 0.00 C ATOM 0 H ALA A 111 -2.516 9.510 6.417 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.460 7.885 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.345 6.369 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.712 8.052 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.407 7.352 7.000 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.969 6.660 4.842 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.792 5.746 3.720 1.00 0.00 C ATOM 1734 C ILE A 112 -0.526 6.077 2.936 1.00 0.00 C ATOM 1735 O ILE A 112 0.348 5.227 2.759 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.999 5.786 2.765 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.285 5.440 3.519 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.787 4.828 1.602 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.980 6.645 4.114 1.00 0.00 C ATOM 0 H ILE A 112 -2.880 7.117 4.874 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.705 4.744 4.140 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.094 6.796 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.971 4.935 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.050 4.735 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.649 4.868 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.890 5.115 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.670 3.814 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.883 6.325 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.312 7.139 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.246 7.341 3.319 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.434 7.317 2.469 1.00 0.00 N ATOM 1752 CA LEU A 113 0.726 7.762 1.705 1.00 0.00 C ATOM 1753 C LEU A 113 2.023 7.385 2.414 1.00 0.00 C ATOM 1754 O LEU A 113 2.895 6.740 1.834 1.00 0.00 O ATOM 1755 CB LEU A 113 0.670 9.275 1.490 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.280 9.763 0.396 1.00 0.00 C ATOM 1757 CD1 LEU A 113 -0.291 11.283 0.337 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.116 9.179 -0.953 1.00 0.00 C ATOM 0 H LEU A 113 -1.148 8.032 2.606 1.00 0.00 H new ATOM 0 HA LEU A 113 0.705 7.263 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.381 9.745 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.675 9.626 1.254 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.287 9.422 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.973 11.612 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.622 11.682 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.714 11.646 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.571 9.537 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.131 9.491 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.072 8.091 -0.906 1.00 0.00 H new ATOM 1770 N GLY A 114 2.142 7.792 3.675 1.00 0.00 N ATOM 1771 CA GLY A 114 3.334 7.486 4.444 1.00 0.00 C ATOM 1772 C GLY A 114 3.681 6.011 4.414 1.00 0.00 C ATOM 1773 O GLY A 114 4.851 5.642 4.307 1.00 0.00 O ATOM 0 H GLY A 114 1.434 8.328 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.173 8.061 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.187 7.800 5.477 1.00 0.00 H new ATOM 1777 N LEU A 115 2.662 5.164 4.511 1.00 0.00 N ATOM 1778 CA LEU A 115 2.864 3.719 4.496 1.00 0.00 C ATOM 1779 C LEU A 115 3.526 3.275 3.196 1.00 0.00 C ATOM 1780 O LEU A 115 4.606 2.683 3.207 1.00 0.00 O ATOM 1781 CB LEU A 115 1.529 2.995 4.675 1.00 0.00 C ATOM 1782 CG LEU A 115 1.419 1.618 4.020 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.471 0.727 4.807 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.955 1.749 2.576 1.00 0.00 C ATOM 0 H LEU A 115 1.688 5.453 4.601 1.00 0.00 H new ATOM 0 HA LEU A 115 3.524 3.461 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.339 2.884 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.738 3.630 4.275 1.00 0.00 H new ATOM 0 HG LEU A 115 2.406 1.156 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.405 -0.249 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.845 0.606 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.518 1.184 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.883 0.759 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.022 2.232 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.672 2.350 2.017 1.00 0.00 H new ATOM 1796 N PHE A 116 2.873 3.566 2.076 1.00 0.00 N ATOM 1797 CA PHE A 116 3.399 3.198 0.766 1.00 0.00 C ATOM 1798 C PHE A 116 4.722 3.908 0.492 1.00 0.00 C ATOM 1799 O PHE A 116 5.485 3.505 -0.386 1.00 0.00 O ATOM 1800 CB PHE A 116 2.387 3.542 -0.328 1.00 0.00 C ATOM 1801 CG PHE A 116 1.429 2.425 -0.631 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.833 1.334 -1.384 1.00 0.00 C ATOM 1803 CD2 PHE A 116 0.126 2.466 -0.163 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.955 0.304 -1.664 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.757 1.439 -0.440 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.342 0.357 -1.192 1.00 0.00 C ATOM 0 H PHE A 116 1.979 4.056 2.049 1.00 0.00 H new ATOM 0 HA PHE A 116 3.576 2.123 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.821 4.423 -0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.924 3.806 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.846 1.288 -1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.204 3.310 0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.283 -0.541 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.770 1.483 -0.069 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.030 -0.446 -1.410 1.00 0.00 H new ATOM 1816 N PHE A 117 4.986 4.968 1.249 1.00 0.00 N ATOM 1817 CA PHE A 117 6.215 5.736 1.088 1.00 0.00 C ATOM 1818 C PHE A 117 7.412 4.968 1.639 1.00 0.00 C ATOM 1819 O PHE A 117 8.513 5.036 1.090 1.00 0.00 O ATOM 1820 CB PHE A 117 6.093 7.088 1.795 1.00 0.00 C ATOM 1821 CG PHE A 117 7.338 7.923 1.708 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.493 7.540 2.371 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.354 9.092 0.965 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.641 8.307 2.294 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.498 9.863 0.883 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.643 9.470 1.550 1.00 0.00 C ATOM 0 H PHE A 117 4.365 5.315 1.980 1.00 0.00 H new ATOM 0 HA PHE A 117 6.372 5.904 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.262 7.643 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.850 6.920 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.497 6.631 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.462 9.405 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.535 7.997 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.497 10.771 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.538 10.072 1.489 1.00 0.00 H new ATOM 1836 N SER A 118 7.190 4.237 2.726 1.00 0.00 N ATOM 1837 CA SER A 118 8.251 3.459 3.355 1.00 0.00 C ATOM 1838 C SER A 118 8.251 2.023 2.838 1.00 0.00 C ATOM 1839 O SER A 118 9.306 1.407 2.682 1.00 0.00 O ATOM 1840 CB SER A 118 8.085 3.465 4.876 1.00 0.00 C ATOM 1841 OG SER A 118 9.292 3.099 5.522 1.00 0.00 O ATOM 0 H SER A 118 6.284 4.167 3.190 1.00 0.00 H new ATOM 0 HA SER A 118 9.205 3.920 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.778 4.457 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.292 2.774 5.161 1.00 0.00 H new ATOM 0 HG SER A 118 9.160 3.112 6.493 1.00 0.00 H new ATOM 1847 N LEU A 119 7.061 1.497 2.573 1.00 0.00 N ATOM 1848 CA LEU A 119 6.921 0.133 2.073 1.00 0.00 C ATOM 1849 C LEU A 119 7.714 -0.058 0.784 1.00 0.00 C ATOM 1850 O LEU A 119 8.579 -0.929 0.698 1.00 0.00 O ATOM 1851 CB LEU A 119 5.446 -0.194 1.831 1.00 0.00 C ATOM 1852 CG LEU A 119 5.163 -1.330 0.848 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.974 -2.565 1.212 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.677 -1.655 0.822 1.00 0.00 C ATOM 0 H LEU A 119 6.179 1.994 2.696 1.00 0.00 H new ATOM 0 HA LEU A 119 7.318 -0.547 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.989 -0.446 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.950 0.706 1.468 1.00 0.00 H new ATOM 0 HG LEU A 119 5.461 -1.005 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.760 -3.363 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.037 -2.325 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.707 -2.892 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.494 -2.466 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.354 -1.960 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.117 -0.772 0.513 1.00 0.00 H new ATOM 1866 N SER A 120 7.414 0.765 -0.217 1.00 0.00 N ATOM 1867 CA SER A 120 8.098 0.686 -1.502 1.00 0.00 C ATOM 1868 C SER A 120 9.603 0.530 -1.308 1.00 0.00 C ATOM 1869 O SER A 120 10.254 -0.242 -2.013 1.00 0.00 O ATOM 1870 CB SER A 120 7.807 1.934 -2.337 1.00 0.00 C ATOM 1871 OG SER A 120 8.545 1.923 -3.546 1.00 0.00 O ATOM 0 H SER A 120 6.702 1.493 -0.162 1.00 0.00 H new ATOM 0 HA SER A 120 7.724 -0.191 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.741 1.986 -2.559 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.057 2.826 -1.763 1.00 0.00 H new ATOM 0 HG SER A 120 8.340 2.731 -4.062 1.00 0.00 H new ATOM 1877 N ARG A 121 10.150 1.269 -0.348 1.00 0.00 N ATOM 1878 CA ARG A 121 11.578 1.214 -0.062 1.00 0.00 C ATOM 1879 C ARG A 121 12.061 -0.231 0.022 1.00 0.00 C ATOM 1880 O ARG A 121 13.042 -0.606 -0.621 1.00 0.00 O ATOM 1881 CB ARG A 121 11.885 1.942 1.248 1.00 0.00 C ATOM 1882 CG ARG A 121 11.383 3.376 1.280 1.00 0.00 C ATOM 1883 CD ARG A 121 12.433 4.346 0.763 1.00 0.00 C ATOM 1884 NE ARG A 121 12.599 4.252 -0.685 1.00 0.00 N ATOM 1885 CZ ARG A 121 11.691 4.672 -1.558 1.00 0.00 C ATOM 1886 NH1 ARG A 121 10.558 5.213 -1.132 1.00 0.00 N ATOM 1887 NH2 ARG A 121 11.915 4.552 -2.861 1.00 0.00 N ATOM 0 H ARG A 121 9.626 1.913 0.245 1.00 0.00 H new ATOM 0 HA ARG A 121 12.106 1.708 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.436 1.390 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.963 1.940 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 121 10.480 3.460 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.110 3.644 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 121 12.149 5.364 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.386 4.143 1.251 1.00 0.00 H new ATOM 0 HE ARG A 121 13.460 3.841 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 121 10.382 5.307 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 121 9.862 5.535 -1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 121 12.786 4.137 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.217 4.875 -3.530 1.00 0.00 H new ATOM 1901 N TYR A 122 11.367 -1.036 0.818 1.00 0.00 N ATOM 1902 CA TYR A 122 11.726 -2.439 0.988 1.00 0.00 C ATOM 1903 C TYR A 122 12.129 -3.063 -0.345 1.00 0.00 C ATOM 1904 O TYR A 122 13.204 -3.651 -0.469 1.00 0.00 O ATOM 1905 CB TYR A 122 10.558 -3.217 1.596 1.00 0.00 C ATOM 1906 CG TYR A 122 10.690 -4.716 1.454 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.205 -5.373 0.329 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.298 -5.477 2.445 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.323 -6.743 0.196 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.421 -6.847 2.319 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.932 -7.475 1.193 1.00 0.00 C ATOM 1912 OH TYR A 122 11.051 -8.840 1.065 1.00 0.00 O ATOM 0 H TYR A 122 10.552 -0.741 1.356 1.00 0.00 H new ATOM 0 HA TYR A 122 12.578 -2.490 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.477 -2.966 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.631 -2.896 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.728 -4.803 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.681 -4.989 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.940 -7.238 -0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.898 -7.423 3.098 1.00 0.00 H new ATOM 0 HH TYR A 122 11.505 -9.204 1.854 1.00 0.00 H new ATOM 1922 N LYS A 123 11.259 -2.931 -1.340 1.00 0.00 N ATOM 1923 CA LYS A 123 11.522 -3.479 -2.665 1.00 0.00 C ATOM 1924 C LYS A 123 12.578 -2.655 -3.395 1.00 0.00 C ATOM 1925 O LYS A 123 13.535 -3.202 -3.941 1.00 0.00 O ATOM 1926 CB LYS A 123 10.232 -3.519 -3.488 1.00 0.00 C ATOM 1927 CG LYS A 123 10.404 -4.152 -4.858 1.00 0.00 C ATOM 1928 CD LYS A 123 10.365 -5.669 -4.780 1.00 0.00 C ATOM 1929 CE LYS A 123 9.810 -6.278 -6.059 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.884 -6.561 -7.051 1.00 0.00 N ATOM 0 H LYS A 123 10.364 -2.449 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 123 11.899 -4.494 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.474 -4.073 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.858 -2.503 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.616 -3.801 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.352 -3.833 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.370 -6.051 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.751 -5.975 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.282 -7.202 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.080 -5.598 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.465 -6.975 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.371 -5.676 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.567 -7.230 -6.642 1.00 0.00 H new ATOM 1944 N GLN A 124 12.397 -1.339 -3.398 1.00 0.00 N ATOM 1945 CA GLN A 124 13.335 -0.441 -4.060 1.00 0.00 C ATOM 1946 C GLN A 124 14.768 -0.733 -3.625 1.00 0.00 C ATOM 1947 O GLN A 124 15.061 -0.803 -2.432 1.00 0.00 O ATOM 1948 CB GLN A 124 12.984 1.016 -3.753 1.00 0.00 C ATOM 1949 CG GLN A 124 12.000 1.625 -4.740 1.00 0.00 C ATOM 1950 CD GLN A 124 12.507 1.587 -6.168 1.00 0.00 C ATOM 1951 OE1 GLN A 124 13.711 1.669 -6.414 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.589 1.463 -7.119 1.00 0.00 N ATOM 0 H GLN A 124 11.610 -0.871 -2.950 1.00 0.00 H new ATOM 0 HA GLN A 124 13.259 -0.607 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.563 1.076 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.899 1.609 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.053 1.089 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.800 2.658 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.602 1.398 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.871 1.432 -8.099 1.00 0.00 H new