USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 126 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Set 1.2: A 128 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 CYS SG : rot -135:sc= -0.522! USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 29 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 35 GLN : amide:sc= -0.0995 K(o=-0.1,f=-2.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.1) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.57! C(o=-4!,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.0122 (180deg=0.00982) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 99 ASN : amide:sc= -0.679 K(o=-0.68,f=-2.5!) USER MOD Single : A 100 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -1.54 F(o=-2.5,f=-1.5) USER MOD Single : A 108 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.84) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.226 F(o=-1.2,f=-0.23) USER MOD Single : A 111 GLN :FLIP amide:sc= -1.29 F(o=-1.9,f=-1.3) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= -0.0196 (180deg=-0.169) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 170:sc= -0.314 (180deg=-0.443) USER MOD Single : A 120 THR OG1 : rot -19:sc= 0.743 USER MOD Single : A 121 THR OG1 : rot 83:sc= -0.789! USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.737 -3.926 6.561 1.00 0.00 N ATOM 141 CA VAL A 13 -59.503 -2.529 6.883 1.00 0.00 C ATOM 142 C VAL A 13 -60.062 -2.230 8.275 1.00 0.00 C ATOM 143 O VAL A 13 -61.040 -2.844 8.700 1.00 0.00 O ATOM 144 CB VAL A 13 -60.098 -1.633 5.795 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.249 -0.194 6.291 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.257 -1.688 4.518 1.00 0.00 C ATOM 0 HA VAL A 13 -58.434 -2.318 6.910 1.00 0.00 H new ATOM 0 HB VAL A 13 -61.092 -2.011 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.674 0.421 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.909 -0.175 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.272 0.199 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.702 -1.042 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.244 -1.348 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -59.225 -2.713 4.147 1.00 0.00 H new ATOM 156 N GLU A 14 -59.418 -1.287 8.947 1.00 0.00 N ATOM 157 CA GLU A 14 -59.839 -0.900 10.283 1.00 0.00 C ATOM 158 C GLU A 14 -60.117 0.604 10.337 1.00 0.00 C ATOM 159 O GLU A 14 -59.332 1.402 9.827 1.00 0.00 O ATOM 160 CB GLU A 14 -58.795 -1.303 11.326 1.00 0.00 C ATOM 161 CG GLU A 14 -58.857 -2.804 11.613 1.00 0.00 C ATOM 162 CD GLU A 14 -58.881 -3.074 13.119 1.00 0.00 C ATOM 163 OE1 GLU A 14 -58.001 -2.515 13.809 1.00 0.00 O ATOM 164 OE2 GLU A 14 -59.778 -3.832 13.546 1.00 0.00 O ATOM 0 H GLU A 14 -58.608 -0.780 8.591 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.762 -1.429 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.799 -1.038 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -58.963 -0.746 12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.747 -3.230 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -57.996 -3.299 11.165 1.00 0.00 H new ATOM 171 N ILE A 15 -61.235 0.945 10.960 1.00 0.00 N ATOM 172 CA ILE A 15 -61.626 2.338 11.088 1.00 0.00 C ATOM 173 C ILE A 15 -60.878 2.967 12.265 1.00 0.00 C ATOM 174 O ILE A 15 -60.577 2.290 13.246 1.00 0.00 O ATOM 175 CB ILE A 15 -63.148 2.461 11.188 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.839 1.574 10.152 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.588 3.922 11.078 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.477 2.007 8.730 1.00 0.00 C ATOM 0 H ILE A 15 -61.883 0.280 11.382 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.343 2.897 10.196 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.456 2.106 12.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.547 0.535 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.919 1.625 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.674 3.982 11.152 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.137 4.500 11.885 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.267 4.327 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -63.982 1.360 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.792 3.038 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.399 1.932 8.590 1.00 0.00 H new ATOM 190 N GLY A 16 -60.602 4.256 12.128 1.00 0.00 N ATOM 191 CA GLY A 16 -59.895 4.984 13.169 1.00 0.00 C ATOM 192 C GLY A 16 -58.396 5.048 12.872 1.00 0.00 C ATOM 193 O GLY A 16 -57.670 5.828 13.487 1.00 0.00 O ATOM 0 H GLY A 16 -60.855 4.815 11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.297 5.994 13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.058 4.499 14.132 1.00 0.00 H new ATOM 197 N GLU A 17 -57.976 4.216 11.930 1.00 0.00 N ATOM 198 CA GLU A 17 -56.576 4.168 11.544 1.00 0.00 C ATOM 199 C GLU A 17 -56.359 4.932 10.237 1.00 0.00 C ATOM 200 O GLU A 17 -57.284 5.081 9.440 1.00 0.00 O ATOM 201 CB GLU A 17 -56.090 2.722 11.422 1.00 0.00 C ATOM 202 CG GLU A 17 -54.797 2.646 10.607 1.00 0.00 C ATOM 203 CD GLU A 17 -53.619 3.227 11.391 1.00 0.00 C ATOM 204 OE1 GLU A 17 -53.868 4.171 12.171 1.00 0.00 O ATOM 205 OE2 GLU A 17 -52.497 2.713 11.193 1.00 0.00 O ATOM 0 H GLU A 17 -58.581 3.570 11.423 1.00 0.00 H new ATOM 0 HA GLU A 17 -55.987 4.649 12.325 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -55.923 2.305 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -56.860 2.114 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.588 1.609 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -54.920 3.192 9.671 1.00 0.00 H new ATOM 212 N THR A 18 -55.131 5.397 10.056 1.00 0.00 N ATOM 213 CA THR A 18 -54.781 6.141 8.859 1.00 0.00 C ATOM 214 C THR A 18 -54.075 5.232 7.852 1.00 0.00 C ATOM 215 O THR A 18 -53.223 4.427 8.228 1.00 0.00 O ATOM 216 CB THR A 18 -53.940 7.348 9.282 1.00 0.00 C ATOM 217 OG1 THR A 18 -54.644 7.888 10.397 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.967 8.472 8.244 1.00 0.00 C ATOM 0 H THR A 18 -54.366 5.272 10.719 1.00 0.00 H new ATOM 0 HA THR A 18 -55.671 6.509 8.348 1.00 0.00 H new ATOM 0 HB THR A 18 -52.910 7.033 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.167 8.674 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.355 9.304 8.593 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.572 8.103 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.993 8.811 8.101 1.00 0.00 H new ATOM 226 N TYR A 19 -54.454 5.389 6.593 1.00 0.00 N ATOM 227 CA TYR A 19 -53.868 4.592 5.529 1.00 0.00 C ATOM 228 C TYR A 19 -53.465 5.471 4.343 1.00 0.00 C ATOM 229 O TYR A 19 -53.961 6.587 4.196 1.00 0.00 O ATOM 230 CB TYR A 19 -54.960 3.619 5.079 1.00 0.00 C ATOM 231 CG TYR A 19 -55.404 2.637 6.165 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.219 3.067 7.193 1.00 0.00 C ATOM 233 CD2 TYR A 19 -54.990 1.322 6.117 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.637 2.143 8.215 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.408 0.397 7.139 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.211 0.853 8.137 1.00 0.00 C ATOM 237 OH TYR A 19 -56.606 -0.020 9.102 1.00 0.00 O ATOM 0 H TYR A 19 -55.161 6.057 6.285 1.00 0.00 H new ATOM 0 HA TYR A 19 -52.972 4.081 5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.826 4.190 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.598 3.055 4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.543 4.097 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.352 0.986 5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -57.274 2.466 9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.091 -0.635 7.113 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.227 -0.905 8.918 1.00 0.00 H new ATOM 247 N LEU A 20 -52.569 4.934 3.528 1.00 0.00 N ATOM 248 CA LEU A 20 -52.093 5.656 2.360 1.00 0.00 C ATOM 249 C LEU A 20 -53.105 5.500 1.222 1.00 0.00 C ATOM 250 O LEU A 20 -53.339 4.392 0.743 1.00 0.00 O ATOM 251 CB LEU A 20 -50.678 5.205 1.990 1.00 0.00 C ATOM 252 CG LEU A 20 -49.625 5.331 3.093 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.490 6.782 3.559 1.00 0.00 C ATOM 254 CD2 LEU A 20 -49.931 4.382 4.254 1.00 0.00 C ATOM 0 H LEU A 20 -52.160 4.008 3.653 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.017 6.722 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.721 4.163 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.346 5.786 1.130 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.661 5.034 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.735 6.844 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.192 7.408 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.447 7.130 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.168 4.491 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.907 4.624 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -49.936 3.354 3.892 1.00 0.00 H new ATOM 266 N CYS A 21 -53.677 6.626 0.824 1.00 0.00 N ATOM 267 CA CYS A 21 -54.658 6.629 -0.248 1.00 0.00 C ATOM 268 C CYS A 21 -53.965 7.085 -1.533 1.00 0.00 C ATOM 269 O CYS A 21 -53.168 8.022 -1.514 1.00 0.00 O ATOM 270 CB CYS A 21 -55.865 7.506 0.091 1.00 0.00 C ATOM 271 SG CYS A 21 -57.088 7.441 -1.269 1.00 0.00 S ATOM 0 H CYS A 21 -53.480 7.543 1.225 1.00 0.00 H new ATOM 0 HA CYS A 21 -55.051 5.622 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.323 7.165 1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.543 8.535 0.253 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.512 8.642 -1.529 1.00 0.00 H new ATOM 277 N ARG A 22 -54.292 6.401 -2.620 1.00 0.00 N ATOM 278 CA ARG A 22 -53.711 6.724 -3.911 1.00 0.00 C ATOM 279 C ARG A 22 -54.285 8.041 -4.438 1.00 0.00 C ATOM 280 O ARG A 22 -55.478 8.303 -4.294 1.00 0.00 O ATOM 281 CB ARG A 22 -53.980 5.614 -4.930 1.00 0.00 C ATOM 282 CG ARG A 22 -52.846 5.521 -5.952 1.00 0.00 C ATOM 283 CD ARG A 22 -52.414 4.068 -6.161 1.00 0.00 C ATOM 284 NE ARG A 22 -51.962 3.870 -7.556 1.00 0.00 N ATOM 285 CZ ARG A 22 -51.647 2.678 -8.081 1.00 0.00 C ATOM 286 NH1 ARG A 22 -51.732 1.571 -7.331 1.00 0.00 N ATOM 287 NH2 ARG A 22 -51.246 2.593 -9.357 1.00 0.00 N ATOM 0 H ARG A 22 -54.953 5.624 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.634 6.823 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.088 4.660 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.922 5.807 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -53.171 5.948 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.995 6.112 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.609 3.816 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.245 3.398 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.885 4.692 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -52.037 1.635 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -51.492 0.664 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.181 3.436 -9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -51.006 1.686 -9.757 1.00 0.00 H new ATOM 376 N TRP A 28 -48.780 8.707 -3.111 1.00 0.00 N ATOM 377 CA TRP A 28 -49.879 8.359 -2.226 1.00 0.00 C ATOM 378 C TRP A 28 -50.045 9.490 -1.210 1.00 0.00 C ATOM 379 O TRP A 28 -49.111 10.253 -0.967 1.00 0.00 O ATOM 380 CB TRP A 28 -49.646 6.996 -1.571 1.00 0.00 C ATOM 381 CG TRP A 28 -49.787 5.812 -2.529 1.00 0.00 C ATOM 382 CD1 TRP A 28 -49.269 5.678 -3.758 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.520 4.592 -2.287 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.612 4.467 -4.322 1.00 0.00 N ATOM 385 CE2 TRP A 28 -50.397 3.786 -3.399 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.262 4.185 -1.164 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -50.990 2.521 -3.498 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.848 2.918 -1.279 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.734 2.094 -2.392 1.00 0.00 C ATOM 0 HA TRP A 28 -50.808 8.257 -2.787 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.647 6.980 -1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -50.354 6.873 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -48.660 6.425 -4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -49.340 4.133 -5.246 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.371 4.800 -0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -50.879 1.908 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.429 2.556 -0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.217 1.128 -2.404 1.00 0.00 H new ATOM 400 N HIS A 29 -51.240 9.564 -0.643 1.00 0.00 N ATOM 401 CA HIS A 29 -51.540 10.590 0.341 1.00 0.00 C ATOM 402 C HIS A 29 -52.278 9.964 1.526 1.00 0.00 C ATOM 403 O HIS A 29 -53.338 9.364 1.356 1.00 0.00 O ATOM 404 CB HIS A 29 -52.315 11.745 -0.296 1.00 0.00 C ATOM 405 CG HIS A 29 -51.438 12.786 -0.949 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.499 13.522 -0.248 1.00 0.00 N ATOM 407 CD2 HIS A 29 -51.366 13.205 -2.245 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.896 14.345 -1.093 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.435 14.148 -2.331 1.00 0.00 N ATOM 0 H HIS A 29 -52.012 8.930 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.612 11.018 0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -53.000 11.342 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.924 12.226 0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -51.965 12.833 -3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -49.115 15.048 -0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -50.167 14.643 -3.182 1.00 0.00 H new ATOM 417 N SER A 30 -51.687 10.124 2.702 1.00 0.00 N ATOM 418 CA SER A 30 -52.275 9.582 3.915 1.00 0.00 C ATOM 419 C SER A 30 -53.691 10.130 4.100 1.00 0.00 C ATOM 420 O SER A 30 -53.937 11.314 3.873 1.00 0.00 O ATOM 421 CB SER A 30 -51.415 9.910 5.137 1.00 0.00 C ATOM 422 OG SER A 30 -50.036 10.036 4.802 1.00 0.00 O ATOM 0 H SER A 30 -50.807 10.621 2.840 1.00 0.00 H new ATOM 0 HA SER A 30 -52.322 8.497 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 30 -51.765 10.839 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 -51.536 9.127 5.886 1.00 0.00 H new ATOM 0 HG SER A 30 -49.521 10.247 5.609 1.00 0.00 H new ATOM 428 N ALA A 31 -54.586 9.243 4.511 1.00 0.00 N ATOM 429 CA ALA A 31 -55.971 9.623 4.729 1.00 0.00 C ATOM 430 C ALA A 31 -56.574 8.734 5.818 1.00 0.00 C ATOM 431 O ALA A 31 -56.470 7.510 5.753 1.00 0.00 O ATOM 432 CB ALA A 31 -56.740 9.531 3.409 1.00 0.00 C ATOM 0 H ALA A 31 -54.378 8.262 4.699 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.036 10.655 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.779 9.816 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.290 10.203 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.699 8.508 3.035 1.00 0.00 H new ATOM 438 N GLU A 32 -57.190 9.384 6.795 1.00 0.00 N ATOM 439 CA GLU A 32 -57.809 8.668 7.897 1.00 0.00 C ATOM 440 C GLU A 32 -59.101 7.993 7.432 1.00 0.00 C ATOM 441 O GLU A 32 -59.890 8.591 6.702 1.00 0.00 O ATOM 442 CB GLU A 32 -58.073 9.602 9.079 1.00 0.00 C ATOM 443 CG GLU A 32 -59.543 10.023 9.127 1.00 0.00 C ATOM 444 CD GLU A 32 -59.800 10.986 10.288 1.00 0.00 C ATOM 445 OE1 GLU A 32 -59.523 10.577 11.437 1.00 0.00 O ATOM 446 OE2 GLU A 32 -60.267 12.109 10.002 1.00 0.00 O ATOM 0 H GLU A 32 -57.273 10.399 6.846 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.119 7.895 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -57.804 9.102 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.440 10.486 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -59.819 10.500 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.174 9.141 9.235 1.00 0.00 H new ATOM 453 N VAL A 33 -59.277 6.756 7.874 1.00 0.00 N ATOM 454 CA VAL A 33 -60.460 5.994 7.512 1.00 0.00 C ATOM 455 C VAL A 33 -61.611 6.371 8.448 1.00 0.00 C ATOM 456 O VAL A 33 -61.626 5.972 9.611 1.00 0.00 O ATOM 457 CB VAL A 33 -60.143 4.497 7.528 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.385 3.670 7.188 1.00 0.00 C ATOM 459 CG2 VAL A 33 -58.990 4.171 6.576 1.00 0.00 C ATOM 0 H VAL A 33 -58.620 6.263 8.479 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.774 6.236 6.497 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.830 4.231 8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.132 2.610 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.167 3.869 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.742 3.941 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.785 3.101 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.263 4.460 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.099 4.720 6.882 1.00 0.00 H new ATOM 469 N ILE A 34 -62.546 7.136 7.905 1.00 0.00 N ATOM 470 CA ILE A 34 -63.698 7.571 8.677 1.00 0.00 C ATOM 471 C ILE A 34 -64.570 6.360 9.012 1.00 0.00 C ATOM 472 O ILE A 34 -64.797 6.059 10.183 1.00 0.00 O ATOM 473 CB ILE A 34 -64.447 8.683 7.940 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.491 9.796 7.508 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.605 9.218 8.786 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.440 10.912 8.553 1.00 0.00 C ATOM 0 H ILE A 34 -62.530 7.466 6.940 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.379 8.006 9.624 1.00 0.00 H new ATOM 0 HB ILE A 34 -64.879 8.260 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.492 9.385 7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.812 10.205 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.121 10.007 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.303 8.409 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.217 9.619 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.753 11.690 8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.436 11.337 8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.095 10.505 9.503 1.00 0.00 H new ATOM 488 N GLN A 35 -65.033 5.696 7.963 1.00 0.00 N ATOM 489 CA GLN A 35 -65.875 4.524 8.131 1.00 0.00 C ATOM 490 C GLN A 35 -65.726 3.587 6.931 1.00 0.00 C ATOM 491 O GLN A 35 -64.859 3.792 6.083 1.00 0.00 O ATOM 492 CB GLN A 35 -67.337 4.923 8.337 1.00 0.00 C ATOM 493 CG GLN A 35 -67.696 4.942 9.824 1.00 0.00 C ATOM 494 CD GLN A 35 -67.966 3.528 10.341 1.00 0.00 C ATOM 495 OE1 GLN A 35 -67.066 2.792 10.712 1.00 0.00 O ATOM 496 NE2 GLN A 35 -69.253 3.190 10.345 1.00 0.00 N ATOM 0 H GLN A 35 -64.841 5.948 6.993 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.549 3.992 9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.513 5.908 7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -67.986 4.223 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.882 5.392 10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.577 5.565 9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -69.956 3.854 10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.537 2.267 10.672 1.00 0.00 H new ATOM 505 N SER A 36 -66.586 2.579 6.897 1.00 0.00 N ATOM 506 CA SER A 36 -66.561 1.610 5.815 1.00 0.00 C ATOM 507 C SER A 36 -67.980 1.371 5.294 1.00 0.00 C ATOM 508 O SER A 36 -68.954 1.605 6.007 1.00 0.00 O ATOM 509 CB SER A 36 -65.934 0.291 6.271 1.00 0.00 C ATOM 510 OG SER A 36 -66.628 -0.275 7.379 1.00 0.00 O ATOM 0 H SER A 36 -67.304 2.413 7.602 1.00 0.00 H new ATOM 0 HA SER A 36 -65.948 2.013 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 36 -65.936 -0.417 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 36 -64.892 0.460 6.544 1.00 0.00 H new ATOM 0 HG SER A 36 -66.198 -1.117 7.639 1.00 0.00 H new ATOM 516 N ARG A 37 -68.050 0.909 4.054 1.00 0.00 N ATOM 517 CA ARG A 37 -69.333 0.636 3.429 1.00 0.00 C ATOM 518 C ARG A 37 -69.169 -0.390 2.306 1.00 0.00 C ATOM 519 O ARG A 37 -68.049 -0.742 1.941 1.00 0.00 O ATOM 520 CB ARG A 37 -69.950 1.914 2.857 1.00 0.00 C ATOM 521 CG ARG A 37 -69.143 2.424 1.661 1.00 0.00 C ATOM 522 CD ARG A 37 -69.888 3.547 0.936 1.00 0.00 C ATOM 523 NE ARG A 37 -70.843 2.974 -0.039 1.00 0.00 N ATOM 524 CZ ARG A 37 -71.591 3.705 -0.877 1.00 0.00 C ATOM 525 NH1 ARG A 37 -71.499 5.042 -0.864 1.00 0.00 N ATOM 526 NH2 ARG A 37 -72.430 3.099 -1.728 1.00 0.00 N ATOM 0 H ARG A 37 -67.239 0.717 3.466 1.00 0.00 H new ATOM 0 HA ARG A 37 -69.997 0.237 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -70.978 1.720 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -69.987 2.682 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.173 2.786 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -68.953 1.603 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -70.420 4.167 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.177 4.195 0.423 1.00 0.00 H new ATOM 0 HE ARG A 37 -70.938 1.959 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -70.860 5.503 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -72.068 5.599 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -72.499 2.081 -1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -72.999 3.655 -2.366 1.00 0.00 H new ATOM 540 N VAL A 38 -70.303 -0.841 1.789 1.00 0.00 N ATOM 541 CA VAL A 38 -70.299 -1.819 0.715 1.00 0.00 C ATOM 542 C VAL A 38 -71.218 -1.339 -0.410 1.00 0.00 C ATOM 543 O VAL A 38 -72.236 -0.697 -0.154 1.00 0.00 O ATOM 544 CB VAL A 38 -70.689 -3.195 1.260 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.263 -4.080 0.151 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.499 -3.872 1.942 1.00 0.00 C ATOM 0 H VAL A 38 -71.231 -0.547 2.094 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.298 -1.922 0.295 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.466 -3.051 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.532 -5.052 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.150 -3.606 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.516 -4.213 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.803 -4.848 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.690 -3.998 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -69.154 -3.253 2.770 1.00 0.00 H new ATOM 556 N ASN A 39 -70.826 -1.668 -1.632 1.00 0.00 N ATOM 557 CA ASN A 39 -71.602 -1.278 -2.797 1.00 0.00 C ATOM 558 C ASN A 39 -72.394 -2.485 -3.304 1.00 0.00 C ATOM 559 O ASN A 39 -71.811 -3.473 -3.748 1.00 0.00 O ATOM 560 CB ASN A 39 -70.692 -0.801 -3.930 1.00 0.00 C ATOM 561 CG ASN A 39 -70.295 0.664 -3.734 1.00 0.00 C ATOM 562 OD1 ASN A 39 -70.514 1.259 -2.692 1.00 0.00 O ATOM 563 ND2 ASN A 39 -69.702 1.210 -4.792 1.00 0.00 N ATOM 0 H ASN A 39 -69.981 -2.200 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.268 -0.467 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -69.797 -1.422 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.203 -0.918 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -69.400 2.184 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -69.549 0.655 -5.634 1.00 0.00 H new ATOM 570 N ASP A 40 -73.711 -2.366 -3.221 1.00 0.00 N ATOM 571 CA ASP A 40 -74.589 -3.434 -3.666 1.00 0.00 C ATOM 572 C ASP A 40 -74.808 -3.314 -5.175 1.00 0.00 C ATOM 573 O ASP A 40 -75.197 -4.280 -5.829 1.00 0.00 O ATOM 574 CB ASP A 40 -75.954 -3.346 -2.982 1.00 0.00 C ATOM 575 CG ASP A 40 -76.877 -4.543 -3.222 1.00 0.00 C ATOM 576 OD1 ASP A 40 -77.013 -4.926 -4.404 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.424 -5.048 -2.218 1.00 0.00 O ATOM 0 H ASP A 40 -74.191 -1.545 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.119 -4.384 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -75.799 -3.235 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.458 -2.443 -3.326 1.00 0.00 H new ATOM 582 N GLN A 41 -74.548 -2.119 -5.685 1.00 0.00 N ATOM 583 CA GLN A 41 -74.711 -1.859 -7.105 1.00 0.00 C ATOM 584 C GLN A 41 -73.481 -2.340 -7.878 1.00 0.00 C ATOM 585 O GLN A 41 -73.597 -3.161 -8.787 1.00 0.00 O ATOM 586 CB GLN A 41 -74.976 -0.375 -7.365 1.00 0.00 C ATOM 587 CG GLN A 41 -74.343 0.072 -8.684 1.00 0.00 C ATOM 588 CD GLN A 41 -74.786 1.490 -9.052 1.00 0.00 C ATOM 589 OE1 GLN A 41 -75.876 1.718 -9.551 1.00 0.00 O ATOM 590 NE2 GLN A 41 -73.883 2.427 -8.778 1.00 0.00 N ATOM 0 H GLN A 41 -74.225 -1.320 -5.140 1.00 0.00 H new ATOM 0 HA GLN A 41 -75.579 -2.416 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -76.050 -0.193 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -74.574 0.219 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -73.257 0.037 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -74.624 -0.619 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -72.990 2.168 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -74.084 3.405 -8.986 1.00 0.00 H new ATOM 599 N GLU A 42 -72.332 -1.809 -7.488 1.00 0.00 N ATOM 600 CA GLU A 42 -71.082 -2.174 -8.133 1.00 0.00 C ATOM 601 C GLU A 42 -70.612 -3.545 -7.642 1.00 0.00 C ATOM 602 O GLU A 42 -70.015 -4.308 -8.400 1.00 0.00 O ATOM 603 CB GLU A 42 -70.010 -1.109 -7.892 1.00 0.00 C ATOM 604 CG GLU A 42 -70.087 -0.005 -8.949 1.00 0.00 C ATOM 605 CD GLU A 42 -69.154 -0.305 -10.124 1.00 0.00 C ATOM 606 OE1 GLU A 42 -69.484 -1.237 -10.888 1.00 0.00 O ATOM 607 OE2 GLU A 42 -68.131 0.406 -10.232 1.00 0.00 O ATOM 0 H GLU A 42 -72.240 -1.129 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 42 -71.254 -2.234 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -70.138 -0.677 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.023 -1.570 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.112 0.088 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -69.818 0.952 -8.501 1.00 0.00 H new ATOM 614 N GLY A 43 -70.899 -3.816 -6.377 1.00 0.00 N ATOM 615 CA GLY A 43 -70.514 -5.082 -5.777 1.00 0.00 C ATOM 616 C GLY A 43 -69.052 -5.052 -5.327 1.00 0.00 C ATOM 617 O GLY A 43 -68.270 -5.931 -5.686 1.00 0.00 O ATOM 0 H GLY A 43 -71.394 -3.180 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.157 -5.294 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -70.661 -5.889 -6.495 1.00 0.00 H new ATOM 621 N ARG A 44 -68.727 -4.032 -4.546 1.00 0.00 N ATOM 622 CA ARG A 44 -67.372 -3.876 -4.043 1.00 0.00 C ATOM 623 C ARG A 44 -67.389 -3.185 -2.678 1.00 0.00 C ATOM 624 O ARG A 44 -68.432 -2.707 -2.234 1.00 0.00 O ATOM 625 CB ARG A 44 -66.516 -3.057 -5.011 1.00 0.00 C ATOM 626 CG ARG A 44 -67.116 -1.666 -5.232 1.00 0.00 C ATOM 627 CD ARG A 44 -66.206 -0.811 -6.115 1.00 0.00 C ATOM 628 NE ARG A 44 -66.332 -1.231 -7.529 1.00 0.00 N ATOM 629 CZ ARG A 44 -65.623 -2.222 -8.084 1.00 0.00 C ATOM 630 NH1 ARG A 44 -64.732 -2.902 -7.349 1.00 0.00 N ATOM 631 NH2 ARG A 44 -65.804 -2.534 -9.375 1.00 0.00 N ATOM 0 H ARG A 44 -69.378 -3.305 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 44 -66.938 -4.871 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -65.504 -2.962 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -66.438 -3.579 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -68.097 -1.759 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -67.264 -1.173 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -66.472 0.241 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -65.171 -0.910 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 44 -67.001 -0.734 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -64.594 -2.665 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -64.192 -3.657 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -66.482 -2.016 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -65.264 -3.289 -9.798 1.00 0.00 H new ATOM 645 N GLU A 45 -66.223 -3.156 -2.051 1.00 0.00 N ATOM 646 CA GLU A 45 -66.090 -2.532 -0.746 1.00 0.00 C ATOM 647 C GLU A 45 -65.412 -1.167 -0.876 1.00 0.00 C ATOM 648 O GLU A 45 -64.537 -0.983 -1.721 1.00 0.00 O ATOM 649 CB GLU A 45 -65.321 -3.436 0.219 1.00 0.00 C ATOM 650 CG GLU A 45 -65.982 -4.812 0.326 1.00 0.00 C ATOM 651 CD GLU A 45 -65.007 -5.847 0.890 1.00 0.00 C ATOM 652 OE1 GLU A 45 -63.994 -6.106 0.203 1.00 0.00 O ATOM 653 OE2 GLU A 45 -65.295 -6.356 1.994 1.00 0.00 O ATOM 0 H GLU A 45 -65.361 -3.555 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.088 -2.382 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.292 -3.548 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.280 -2.971 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.861 -4.748 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.327 -5.131 -0.657 1.00 0.00 H new ATOM 660 N GLU A 46 -65.841 -0.245 -0.027 1.00 0.00 N ATOM 661 CA GLU A 46 -65.286 1.098 -0.037 1.00 0.00 C ATOM 662 C GLU A 46 -65.021 1.574 1.393 1.00 0.00 C ATOM 663 O GLU A 46 -65.451 0.935 2.353 1.00 0.00 O ATOM 664 CB GLU A 46 -66.210 2.068 -0.775 1.00 0.00 C ATOM 665 CG GLU A 46 -65.651 2.416 -2.156 1.00 0.00 C ATOM 666 CD GLU A 46 -66.719 2.247 -3.238 1.00 0.00 C ATOM 667 OE1 GLU A 46 -67.510 3.200 -3.408 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.719 1.170 -3.872 1.00 0.00 O ATOM 0 H GLU A 46 -66.567 -0.401 0.673 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.337 1.073 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.200 1.623 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.331 2.978 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -65.287 3.443 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -64.798 1.775 -2.379 1.00 0.00 H new ATOM 675 N PHE A 47 -64.314 2.690 1.490 1.00 0.00 N ATOM 676 CA PHE A 47 -63.987 3.258 2.787 1.00 0.00 C ATOM 677 C PHE A 47 -63.811 4.775 2.692 1.00 0.00 C ATOM 678 O PHE A 47 -62.994 5.262 1.913 1.00 0.00 O ATOM 679 CB PHE A 47 -62.664 2.630 3.229 1.00 0.00 C ATOM 680 CG PHE A 47 -62.766 1.142 3.571 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.621 0.208 2.594 1.00 0.00 C ATOM 682 CD2 PHE A 47 -63.000 0.754 4.854 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.715 -1.172 2.911 1.00 0.00 C ATOM 684 CE2 PHE A 47 -63.094 -0.627 5.171 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.950 -1.561 4.193 1.00 0.00 C ATOM 0 H PHE A 47 -63.958 3.216 0.692 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.790 3.056 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.928 2.760 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.291 3.168 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.434 0.516 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -63.114 1.496 5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.600 -1.913 2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -63.280 -0.936 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 47 -63.022 -2.611 4.434 1.00 0.00 H new ATOM 695 N TYR A 48 -64.592 5.481 3.497 1.00 0.00 N ATOM 696 CA TYR A 48 -64.533 6.933 3.514 1.00 0.00 C ATOM 697 C TYR A 48 -63.246 7.421 4.181 1.00 0.00 C ATOM 698 O TYR A 48 -63.192 7.569 5.401 1.00 0.00 O ATOM 699 CB TYR A 48 -65.731 7.394 4.346 1.00 0.00 C ATOM 700 CG TYR A 48 -66.165 8.835 4.068 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.307 9.273 2.767 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.412 9.696 5.117 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.715 10.629 2.505 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.820 11.052 4.856 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.951 11.452 3.562 1.00 0.00 C ATOM 706 OH TYR A 48 -67.336 12.732 3.315 1.00 0.00 O ATOM 0 H TYR A 48 -65.269 5.074 4.142 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.552 7.330 2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.572 6.728 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.485 7.297 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -66.112 8.599 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.299 9.353 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.831 10.985 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.017 11.736 5.668 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.470 13.203 4.164 1.00 0.00 H new ATOM 716 N VAL A 49 -62.240 7.658 3.351 1.00 0.00 N ATOM 717 CA VAL A 49 -60.957 8.127 3.845 1.00 0.00 C ATOM 718 C VAL A 49 -60.890 9.649 3.713 1.00 0.00 C ATOM 719 O VAL A 49 -61.340 10.210 2.715 1.00 0.00 O ATOM 720 CB VAL A 49 -59.821 7.412 3.110 1.00 0.00 C ATOM 721 CG1 VAL A 49 -59.924 5.895 3.284 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.800 7.795 1.629 1.00 0.00 C ATOM 0 H VAL A 49 -62.288 7.534 2.340 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.844 7.888 4.902 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.879 7.736 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.105 5.411 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -59.866 5.646 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.875 5.546 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.983 7.273 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.746 7.514 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.655 8.871 1.533 1.00 0.00 H new ATOM 732 N HIS A 50 -60.324 10.276 4.734 1.00 0.00 N ATOM 733 CA HIS A 50 -60.192 11.723 4.744 1.00 0.00 C ATOM 734 C HIS A 50 -58.717 12.105 4.603 1.00 0.00 C ATOM 735 O HIS A 50 -57.888 11.705 5.419 1.00 0.00 O ATOM 736 CB HIS A 50 -60.841 12.318 5.995 1.00 0.00 C ATOM 737 CG HIS A 50 -60.327 13.691 6.360 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.520 14.097 7.381 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -60.641 14.826 5.634 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.348 15.410 7.283 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -60.043 15.864 6.200 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.952 9.808 5.560 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.724 12.146 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.919 12.374 5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.673 11.643 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -61.267 14.860 4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -58.756 16.018 7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -60.093 16.832 5.882 1.00 0.00 H new ATOM 749 N TYR A 51 -58.436 12.874 3.562 1.00 0.00 N ATOM 750 CA TYR A 51 -57.075 13.314 3.303 1.00 0.00 C ATOM 751 C TYR A 51 -56.671 14.438 4.259 1.00 0.00 C ATOM 752 O TYR A 51 -56.718 15.613 3.898 1.00 0.00 O ATOM 753 CB TYR A 51 -57.072 13.854 1.871 1.00 0.00 C ATOM 754 CG TYR A 51 -57.369 12.795 0.807 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.365 11.956 0.369 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.642 12.680 0.285 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.645 10.960 -0.633 1.00 0.00 C ATOM 758 CE2 TYR A 51 -58.922 11.684 -0.716 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.910 10.873 -1.126 1.00 0.00 C ATOM 760 OH TYR A 51 -58.174 9.933 -2.072 1.00 0.00 O ATOM 0 H TYR A 51 -59.127 13.204 2.888 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.373 12.492 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -57.811 14.651 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.099 14.300 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.369 12.046 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.428 13.337 0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.868 10.297 -0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -59.913 11.583 -1.132 1.00 0.00 H new ATOM 0 HH TYR A 51 -59.118 9.985 -2.331 1.00 0.00 H new ATOM 770 N VAL A 52 -56.284 14.038 5.462 1.00 0.00 N ATOM 771 CA VAL A 52 -55.873 14.997 6.473 1.00 0.00 C ATOM 772 C VAL A 52 -54.728 15.851 5.924 1.00 0.00 C ATOM 773 O VAL A 52 -54.449 16.930 6.444 1.00 0.00 O ATOM 774 CB VAL A 52 -55.507 14.268 7.767 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.664 13.390 8.248 1.00 0.00 C ATOM 776 CG2 VAL A 52 -54.230 13.444 7.591 1.00 0.00 C ATOM 0 H VAL A 52 -56.247 13.063 5.759 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.694 15.671 6.716 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.317 15.021 8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -56.377 12.883 9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.540 14.012 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.900 12.649 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.993 12.936 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.380 12.705 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.406 14.103 7.317 1.00 0.00 H new ATOM 906 N GLU A 60 -63.862 11.523 0.107 1.00 0.00 N ATOM 907 CA GLU A 60 -64.400 10.598 -0.877 1.00 0.00 C ATOM 908 C GLU A 60 -64.076 9.156 -0.481 1.00 0.00 C ATOM 909 O GLU A 60 -63.056 8.897 0.156 1.00 0.00 O ATOM 910 CB GLU A 60 -63.868 10.915 -2.276 1.00 0.00 C ATOM 911 CG GLU A 60 -62.370 10.621 -2.373 1.00 0.00 C ATOM 912 CD GLU A 60 -61.672 11.628 -3.289 1.00 0.00 C ATOM 913 OE1 GLU A 60 -61.987 12.830 -3.155 1.00 0.00 O ATOM 914 OE2 GLU A 60 -60.839 11.173 -4.102 1.00 0.00 O ATOM 0 HA GLU A 60 -65.484 10.713 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.407 10.324 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.052 11.964 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -61.924 10.658 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.218 9.611 -2.754 1.00 0.00 H new ATOM 921 N TRP A 61 -64.963 8.254 -0.876 1.00 0.00 N ATOM 922 CA TRP A 61 -64.784 6.845 -0.571 1.00 0.00 C ATOM 923 C TRP A 61 -63.644 6.314 -1.441 1.00 0.00 C ATOM 924 O TRP A 61 -63.349 6.876 -2.495 1.00 0.00 O ATOM 925 CB TRP A 61 -66.091 6.073 -0.761 1.00 0.00 C ATOM 926 CG TRP A 61 -67.278 6.659 0.006 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.071 7.678 -0.354 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.778 6.217 1.286 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.041 7.924 0.596 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.857 7.008 1.625 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.333 5.184 2.129 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.581 6.848 2.812 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.067 5.037 3.311 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.155 5.825 3.668 1.00 0.00 C ATOM 0 H TRP A 61 -65.808 8.472 -1.405 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.515 6.708 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.335 6.048 -1.823 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -65.941 5.041 -0.444 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -67.964 8.236 -1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.761 8.645 0.551 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.491 4.554 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.423 7.479 3.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.767 4.256 3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.669 5.649 4.601 1.00 0.00 H new ATOM 945 N VAL A 62 -63.033 5.237 -0.968 1.00 0.00 N ATOM 946 CA VAL A 62 -61.932 4.624 -1.690 1.00 0.00 C ATOM 947 C VAL A 62 -62.073 3.101 -1.631 1.00 0.00 C ATOM 948 O VAL A 62 -62.815 2.575 -0.803 1.00 0.00 O ATOM 949 CB VAL A 62 -60.597 5.122 -1.131 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.509 6.648 -1.203 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.383 4.627 0.300 1.00 0.00 C ATOM 0 H VAL A 62 -63.280 4.774 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 62 -61.958 4.913 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.800 4.710 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.551 6.977 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.595 6.969 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.318 7.087 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.427 4.995 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -61.187 4.996 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.382 3.537 0.312 1.00 0.00 H new ATOM 961 N ASP A 63 -61.350 2.437 -2.520 1.00 0.00 N ATOM 962 CA ASP A 63 -61.386 0.985 -2.579 1.00 0.00 C ATOM 963 C ASP A 63 -60.203 0.418 -1.792 1.00 0.00 C ATOM 964 O ASP A 63 -59.211 1.110 -1.570 1.00 0.00 O ATOM 965 CB ASP A 63 -61.274 0.490 -4.022 1.00 0.00 C ATOM 966 CG ASP A 63 -62.536 0.671 -4.868 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.632 0.632 -4.267 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.377 0.843 -6.095 1.00 0.00 O ATOM 0 H ASP A 63 -60.736 2.877 -3.205 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.334 0.653 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.451 1.015 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -61.013 -0.568 -4.008 1.00 0.00 H new ATOM 973 N LYS A 64 -60.348 -0.837 -1.391 1.00 0.00 N ATOM 974 CA LYS A 64 -59.304 -1.505 -0.633 1.00 0.00 C ATOM 975 C LYS A 64 -57.996 -1.462 -1.426 1.00 0.00 C ATOM 976 O LYS A 64 -56.913 -1.541 -0.849 1.00 0.00 O ATOM 977 CB LYS A 64 -59.743 -2.919 -0.248 1.00 0.00 C ATOM 978 CG LYS A 64 -60.875 -2.881 0.781 1.00 0.00 C ATOM 979 CD LYS A 64 -60.986 -4.214 1.523 1.00 0.00 C ATOM 980 CE LYS A 64 -60.699 -4.036 3.016 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.448 -5.035 3.810 1.00 0.00 N ATOM 0 H LYS A 64 -61.172 -1.408 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 64 -59.124 -0.984 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -60.073 -3.456 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.895 -3.469 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.696 -2.077 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.818 -2.659 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.985 -4.627 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -60.284 -4.931 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.630 -4.142 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.979 -3.030 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -61.178 -4.956 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.469 -4.862 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -61.225 -5.991 3.466 1.00 0.00 H new ATOM 995 N ASN A 65 -58.140 -1.336 -2.737 1.00 0.00 N ATOM 996 CA ASN A 65 -56.984 -1.282 -3.615 1.00 0.00 C ATOM 997 C ASN A 65 -56.363 0.115 -3.548 1.00 0.00 C ATOM 998 O ASN A 65 -55.144 0.253 -3.463 1.00 0.00 O ATOM 999 CB ASN A 65 -57.382 -1.552 -5.068 1.00 0.00 C ATOM 1000 CG ASN A 65 -56.401 -2.518 -5.735 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -56.658 -3.701 -5.883 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -55.265 -1.949 -6.127 1.00 0.00 N ATOM 0 H ASN A 65 -59.040 -1.270 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.276 -2.043 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.388 -1.969 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -57.407 -0.614 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -54.545 -2.509 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -55.114 -0.952 -5.972 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.231 1.116 -3.587 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.783 2.497 -3.531 1.00 0.00 C ATOM 1011 C ARG A 66 -55.958 2.737 -2.265 1.00 0.00 C ATOM 1012 O ARG A 66 -55.104 3.621 -2.235 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.970 3.462 -3.548 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.358 3.829 -4.982 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.872 4.007 -5.112 1.00 0.00 C ATOM 1016 NE ARG A 66 -60.193 4.710 -6.373 1.00 0.00 N ATOM 1017 CZ ARG A 66 -60.086 6.035 -6.543 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -59.666 6.808 -5.532 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -60.399 6.587 -7.723 1.00 0.00 N ATOM 0 H ARG A 66 -58.242 0.998 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 66 -56.166 2.681 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.821 3.006 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.717 4.366 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.854 4.750 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -58.020 3.050 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -60.364 3.034 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -60.254 4.574 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 66 -60.516 4.151 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -59.428 6.388 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -59.584 7.817 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -60.719 5.999 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -60.317 7.596 -7.852 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.242 1.933 -1.251 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.536 2.046 0.014 1.00 0.00 C ATOM 1035 C LEU A 67 -54.314 1.127 -0.004 1.00 0.00 C ATOM 1036 O LEU A 67 -54.112 0.375 -0.957 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.487 1.781 1.183 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.666 2.747 1.321 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.862 2.061 1.985 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.249 4.018 2.064 1.00 0.00 C ATOM 0 H LEU A 67 -56.951 1.201 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.168 3.062 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.881 0.770 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.911 1.808 2.108 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.981 3.047 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.686 2.769 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.176 1.211 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.577 1.714 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.105 4.687 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.893 3.757 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.452 4.517 1.513 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.529 1.217 1.060 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.331 0.403 1.178 1.00 0.00 C ATOM 1054 C ALA A 68 -52.554 -0.671 2.244 1.00 0.00 C ATOM 1055 O ALA A 68 -52.551 -0.376 3.438 1.00 0.00 O ATOM 1056 CB ALA A 68 -51.133 1.300 1.495 1.00 0.00 C ATOM 0 H ALA A 68 -53.699 1.841 1.848 1.00 0.00 H new ATOM 0 HA ALA A 68 -52.117 -0.105 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.235 0.689 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -51.000 2.027 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.309 1.824 2.434 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.740 -1.896 1.774 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.963 -3.016 2.672 1.00 0.00 C ATOM 1064 C LEU A 69 -51.753 -3.951 2.626 1.00 0.00 C ATOM 1065 O LEU A 69 -51.645 -4.788 1.731 1.00 0.00 O ATOM 1066 CB LEU A 69 -54.288 -3.709 2.347 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.516 -2.800 2.259 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.604 -3.432 1.388 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -56.034 -2.442 3.653 1.00 0.00 C ATOM 0 H LEU A 69 -52.741 -2.137 0.783 1.00 0.00 H new ATOM 0 HA LEU A 69 -53.057 -2.666 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -54.178 -4.232 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.475 -4.467 3.108 1.00 0.00 H new ATOM 0 HG LEU A 69 -55.218 -1.869 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.466 -2.766 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -56.216 -3.594 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.906 -4.387 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.907 -1.795 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.311 -3.353 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.254 -1.922 4.209 1.00 0.00 H new ATOM 1464 N ARG A 94 -11.885 7.540 22.588 1.00 0.00 N ATOM 1465 CA ARG A 94 -10.628 8.259 22.471 1.00 0.00 C ATOM 1466 C ARG A 94 -9.458 7.276 22.397 1.00 0.00 C ATOM 1467 O ARG A 94 -9.510 6.198 22.989 1.00 0.00 O ATOM 1468 CB ARG A 94 -10.419 9.200 23.659 1.00 0.00 C ATOM 1469 CG ARG A 94 -9.460 10.336 23.298 1.00 0.00 C ATOM 1470 CD ARG A 94 -8.283 10.391 24.274 1.00 0.00 C ATOM 1471 NE ARG A 94 -8.396 11.589 25.136 1.00 0.00 N ATOM 1472 CZ ARG A 94 -7.457 11.979 26.007 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -6.329 11.268 26.139 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -7.645 13.080 26.748 1.00 0.00 N ATOM 0 HA ARG A 94 -10.669 8.850 21.556 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.377 9.614 23.972 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.022 8.640 24.506 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.089 10.195 22.283 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.994 11.286 23.313 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.267 9.491 24.888 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.343 10.417 23.722 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.243 12.153 25.062 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.186 10.430 25.576 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.614 11.565 26.803 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.504 13.621 26.648 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.929 13.377 27.411 1.00 0.00 H new ATOM 1488 N LYS A 95 -8.431 7.681 21.665 1.00 0.00 N ATOM 1489 CA LYS A 95 -7.251 6.849 21.506 1.00 0.00 C ATOM 1490 C LYS A 95 -6.002 7.679 21.810 1.00 0.00 C ATOM 1491 O LYS A 95 -5.948 8.866 21.491 1.00 0.00 O ATOM 1492 CB LYS A 95 -7.235 6.200 20.120 1.00 0.00 C ATOM 1493 CG LYS A 95 -6.720 4.762 20.194 1.00 0.00 C ATOM 1494 CD LYS A 95 -5.192 4.723 20.142 1.00 0.00 C ATOM 1495 CE LYS A 95 -4.702 3.581 19.249 1.00 0.00 C ATOM 1496 NZ LYS A 95 -4.995 2.272 19.875 1.00 0.00 N ATOM 0 H LYS A 95 -8.392 8.575 21.175 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.268 6.024 22.219 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.240 6.209 19.699 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.603 6.782 19.449 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.068 4.294 21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.130 4.182 19.367 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.813 5.673 19.764 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.793 4.599 21.149 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.185 3.641 18.274 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.630 3.678 19.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.656 1.508 19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.514 2.212 20.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.021 2.176 20.014 1.00 0.00 H new ATOM 1510 N ILE A 96 -5.029 7.022 22.424 1.00 0.00 N ATOM 1511 CA ILE A 96 -3.784 7.685 22.775 1.00 0.00 C ATOM 1512 C ILE A 96 -2.685 7.242 21.806 1.00 0.00 C ATOM 1513 O ILE A 96 -2.828 6.231 21.120 1.00 0.00 O ATOM 1514 CB ILE A 96 -3.443 7.439 24.245 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -4.390 8.212 25.165 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -1.975 7.765 24.530 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -5.176 7.259 26.069 1.00 0.00 C ATOM 0 H ILE A 96 -5.077 6.038 22.687 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.885 8.765 22.671 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.584 6.379 24.455 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.819 8.911 25.776 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.082 8.804 24.566 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.759 7.581 25.583 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.336 7.134 23.913 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.783 8.813 24.298 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.842 7.834 26.713 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.765 6.578 25.455 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.482 6.686 26.684 1.00 0.00 H new ATOM 1529 N THR A 97 -1.614 8.021 21.781 1.00 0.00 N ATOM 1530 CA THR A 97 -0.492 7.723 20.908 1.00 0.00 C ATOM 1531 C THR A 97 0.818 8.196 21.542 1.00 0.00 C ATOM 1532 O THR A 97 0.810 9.054 22.423 1.00 0.00 O ATOM 1533 CB THR A 97 -0.771 8.358 19.544 1.00 0.00 C ATOM 1534 OG1 THR A 97 0.371 8.019 18.763 1.00 0.00 O ATOM 1535 CG2 THR A 97 -0.748 9.887 19.595 1.00 0.00 C ATOM 0 H THR A 97 -1.500 8.859 22.352 1.00 0.00 H new ATOM 0 HA THR A 97 -0.378 6.649 20.765 1.00 0.00 H new ATOM 0 HB THR A 97 -1.741 8.022 19.178 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.273 8.390 17.861 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.952 10.287 18.602 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.509 10.239 20.291 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.233 10.225 19.928 1.00 0.00 H new ATOM 1543 N ARG A 98 1.911 7.617 21.068 1.00 0.00 N ATOM 1544 CA ARG A 98 3.226 7.969 21.577 1.00 0.00 C ATOM 1545 C ARG A 98 4.317 7.393 20.673 1.00 0.00 C ATOM 1546 O ARG A 98 4.038 6.563 19.809 1.00 0.00 O ATOM 1547 CB ARG A 98 3.423 7.445 23.001 1.00 0.00 C ATOM 1548 CG ARG A 98 3.820 8.576 23.952 1.00 0.00 C ATOM 1549 CD ARG A 98 5.063 8.202 24.761 1.00 0.00 C ATOM 1550 NE ARG A 98 4.689 7.306 25.878 1.00 0.00 N ATOM 1551 CZ ARG A 98 5.545 6.873 26.813 1.00 0.00 C ATOM 1552 NH1 ARG A 98 6.830 7.251 26.771 1.00 0.00 N ATOM 1553 NH2 ARG A 98 5.117 6.062 27.790 1.00 0.00 N ATOM 0 H ARG A 98 1.913 6.906 20.337 1.00 0.00 H new ATOM 0 HA ARG A 98 3.297 9.057 21.589 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.503 6.977 23.351 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.194 6.674 23.005 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.013 9.485 23.382 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.994 8.794 24.628 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.792 7.709 24.117 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.539 9.102 25.150 1.00 0.00 H new ATOM 0 HE ARG A 98 3.718 6.999 25.940 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.156 7.868 26.027 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.482 6.922 27.483 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.139 5.774 27.822 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.769 5.733 28.502 1.00 0.00 H new ATOM 1567 N ASN A 99 5.537 7.856 20.903 1.00 0.00 N ATOM 1568 CA ASN A 99 6.672 7.397 20.120 1.00 0.00 C ATOM 1569 C ASN A 99 7.940 8.100 20.608 1.00 0.00 C ATOM 1570 O ASN A 99 7.871 9.015 21.426 1.00 0.00 O ATOM 1571 CB ASN A 99 6.488 7.727 18.638 1.00 0.00 C ATOM 1572 CG ASN A 99 6.240 9.224 18.437 1.00 0.00 C ATOM 1573 OD1 ASN A 99 6.401 10.032 19.336 1.00 0.00 O ATOM 1574 ND2 ASN A 99 5.839 9.545 17.210 1.00 0.00 N ATOM 0 H ASN A 99 5.764 8.544 21.621 1.00 0.00 H new ATOM 0 HA ASN A 99 6.751 6.317 20.241 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.375 7.423 18.081 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.649 7.158 18.236 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.646 10.519 16.975 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.724 8.818 16.504 1.00 0.00 H new ATOM 1581 N GLN A 100 9.069 7.645 20.084 1.00 0.00 N ATOM 1582 CA GLN A 100 10.351 8.219 20.455 1.00 0.00 C ATOM 1583 C GLN A 100 11.467 7.631 19.589 1.00 0.00 C ATOM 1584 O GLN A 100 11.242 6.680 18.842 1.00 0.00 O ATOM 1585 CB GLN A 100 10.639 8.001 21.942 1.00 0.00 C ATOM 1586 CG GLN A 100 10.865 9.334 22.658 1.00 0.00 C ATOM 1587 CD GLN A 100 12.110 9.276 23.545 1.00 0.00 C ATOM 1588 OE1 GLN A 100 12.931 8.379 23.449 1.00 0.00 O ATOM 1589 NE2 GLN A 100 12.205 10.281 24.411 1.00 0.00 N ATOM 0 H GLN A 100 9.122 6.885 19.405 1.00 0.00 H new ATOM 0 HA GLN A 100 10.310 9.294 20.280 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.805 7.473 22.404 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.519 7.369 22.057 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.975 10.132 21.923 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.993 9.577 23.265 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.482 11.000 24.439 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.001 10.333 25.047 1.00 0.00 H new ATOM 1598 N LYS A 101 12.645 8.223 19.717 1.00 0.00 N ATOM 1599 CA LYS A 101 13.797 7.770 18.954 1.00 0.00 C ATOM 1600 C LYS A 101 15.021 8.598 19.348 1.00 0.00 C ATOM 1601 O LYS A 101 14.896 9.608 20.039 1.00 0.00 O ATOM 1602 CB LYS A 101 13.491 7.798 17.455 1.00 0.00 C ATOM 1603 CG LYS A 101 14.105 6.588 16.748 1.00 0.00 C ATOM 1604 CD LYS A 101 15.162 7.025 15.731 1.00 0.00 C ATOM 1605 CE LYS A 101 16.292 5.998 15.640 1.00 0.00 C ATOM 1606 NZ LYS A 101 15.826 4.774 14.951 1.00 0.00 N ATOM 0 H LYS A 101 12.827 9.012 20.337 1.00 0.00 H new ATOM 0 HA LYS A 101 14.026 6.731 19.189 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.412 7.805 17.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.882 8.717 17.017 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.556 5.923 17.484 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.322 6.021 16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.700 7.150 14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.569 7.995 16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.138 6.426 15.102 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.645 5.747 16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.605 4.087 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.034 4.358 15.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.511 5.015 13.990 1.00 0.00 H new ATOM 1620 N ARG A 102 16.178 8.140 18.892 1.00 0.00 N ATOM 1621 CA ARG A 102 17.424 8.825 19.188 1.00 0.00 C ATOM 1622 C ARG A 102 18.552 8.279 18.310 1.00 0.00 C ATOM 1623 O ARG A 102 18.355 7.319 17.566 1.00 0.00 O ATOM 1624 CB ARG A 102 17.807 8.660 20.660 1.00 0.00 C ATOM 1625 CG ARG A 102 17.566 7.225 21.132 1.00 0.00 C ATOM 1626 CD ARG A 102 18.597 6.814 22.185 1.00 0.00 C ATOM 1627 NE ARG A 102 17.920 6.515 23.466 1.00 0.00 N ATOM 1628 CZ ARG A 102 17.586 7.442 24.374 1.00 0.00 C ATOM 1629 NH1 ARG A 102 17.864 8.733 24.146 1.00 0.00 N ATOM 1630 NH2 ARG A 102 16.973 7.079 25.509 1.00 0.00 N ATOM 0 H ARG A 102 16.278 7.302 18.319 1.00 0.00 H new ATOM 0 HA ARG A 102 17.277 9.885 18.979 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.856 8.920 20.798 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.225 9.350 21.271 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.562 7.139 21.548 1.00 0.00 H new ATOM 0 HG3 ARG A 102 17.618 6.545 20.282 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.149 5.939 21.843 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.324 7.614 22.326 1.00 0.00 H new ATOM 0 HE ARG A 102 17.693 5.542 23.671 1.00 0.00 H new ATOM 0 HH11 ARG A 102 18.330 9.009 23.282 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.610 9.439 24.837 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.760 6.097 25.682 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.719 7.785 26.200 1.00 0.00 H new ATOM 1644 N LYS A 103 19.709 8.913 18.426 1.00 0.00 N ATOM 1645 CA LYS A 103 20.868 8.503 17.652 1.00 0.00 C ATOM 1646 C LYS A 103 22.109 9.230 18.176 1.00 0.00 C ATOM 1647 O LYS A 103 21.997 10.160 18.973 1.00 0.00 O ATOM 1648 CB LYS A 103 20.617 8.713 16.158 1.00 0.00 C ATOM 1649 CG LYS A 103 20.624 10.202 15.805 1.00 0.00 C ATOM 1650 CD LYS A 103 21.895 10.579 15.040 1.00 0.00 C ATOM 1651 CE LYS A 103 21.567 11.456 13.830 1.00 0.00 C ATOM 1652 NZ LYS A 103 22.571 12.533 13.684 1.00 0.00 N ATOM 0 H LYS A 103 19.869 9.708 19.045 1.00 0.00 H new ATOM 0 HA LYS A 103 21.049 7.435 17.773 1.00 0.00 H new ATOM 0 HB2 LYS A 103 21.383 8.195 15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.658 8.274 15.881 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.748 10.440 15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.554 10.796 16.716 1.00 0.00 H new ATOM 0 HD2 LYS A 103 22.579 11.109 15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.407 9.675 14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 103 21.545 10.846 12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.574 11.890 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 22.334 13.119 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 22.573 13.124 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 23.513 12.113 13.552 1.00 0.00 H new ATOM 1666 N HIS A 104 23.262 8.779 17.705 1.00 0.00 N ATOM 1667 CA HIS A 104 24.522 9.375 18.116 1.00 0.00 C ATOM 1668 C HIS A 104 25.628 8.958 17.144 1.00 0.00 C ATOM 1669 O HIS A 104 25.451 8.028 16.359 1.00 0.00 O ATOM 1670 CB HIS A 104 24.844 9.018 19.569 1.00 0.00 C ATOM 1671 CG HIS A 104 24.237 9.960 20.581 1.00 0.00 C ATOM 1672 ND1 HIS A 104 23.156 9.813 21.400 1.00 0.00 N flip ATOM 1673 CD2 HIS A 104 24.749 11.221 20.833 1.00 0.00 C flip ATOM 1674 CE1 HIS A 104 23.017 10.922 22.115 1.00 0.00 C flip ATOM 1675 NE2 HIS A 104 24.003 11.797 21.764 1.00 0.00 N flip ATOM 0 H HIS A 104 23.350 8.008 17.043 1.00 0.00 H new ATOM 0 HA HIS A 104 24.444 10.462 18.079 1.00 0.00 H new ATOM 0 HB2 HIS A 104 24.490 8.007 19.771 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.926 9.009 19.699 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.610 11.661 20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.250 11.102 22.853 1.00 0.00 H new ATOM 0 HE2 HIS A 104 24.142 12.731 22.150 1.00 0.00 H new ATOM 1683 N ASP A 105 26.745 9.666 17.230 1.00 0.00 N ATOM 1684 CA ASP A 105 27.879 9.381 16.368 1.00 0.00 C ATOM 1685 C ASP A 105 29.107 9.079 17.230 1.00 0.00 C ATOM 1686 O ASP A 105 29.095 9.317 18.437 1.00 0.00 O ATOM 1687 CB ASP A 105 28.210 10.580 15.478 1.00 0.00 C ATOM 1688 CG ASP A 105 28.223 11.932 16.193 1.00 0.00 C ATOM 1689 OD1 ASP A 105 27.137 12.339 16.658 1.00 0.00 O ATOM 1690 OD2 ASP A 105 29.320 12.528 16.260 1.00 0.00 O ATOM 0 H ASP A 105 26.889 10.436 17.883 1.00 0.00 H new ATOM 0 HA ASP A 105 27.619 8.528 15.741 1.00 0.00 H new ATOM 0 HB2 ASP A 105 29.187 10.417 15.023 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.484 10.622 14.666 1.00 0.00 H new ATOM 1695 N GLU A 106 30.136 8.561 16.577 1.00 0.00 N ATOM 1696 CA GLU A 106 31.369 8.225 17.270 1.00 0.00 C ATOM 1697 C GLU A 106 32.444 7.806 16.265 1.00 0.00 C ATOM 1698 O GLU A 106 32.156 7.614 15.085 1.00 0.00 O ATOM 1699 CB GLU A 106 31.132 7.127 18.309 1.00 0.00 C ATOM 1700 CG GLU A 106 32.066 7.298 19.509 1.00 0.00 C ATOM 1701 CD GLU A 106 31.299 7.154 20.825 1.00 0.00 C ATOM 1702 OE1 GLU A 106 30.617 8.134 21.194 1.00 0.00 O ATOM 1703 OE2 GLU A 106 31.412 6.067 21.432 1.00 0.00 O ATOM 0 H GLU A 106 30.142 8.366 15.576 1.00 0.00 H new ATOM 0 HA GLU A 106 31.719 9.111 17.800 1.00 0.00 H new ATOM 0 HB2 GLU A 106 30.095 7.155 18.644 1.00 0.00 H new ATOM 0 HB3 GLU A 106 31.293 6.150 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 106 32.861 6.554 19.464 1.00 0.00 H new ATOM 0 HG3 GLU A 106 32.543 8.277 19.467 1.00 0.00 H new ATOM 1710 N ILE A 107 33.662 7.677 16.770 1.00 0.00 N ATOM 1711 CA ILE A 107 34.782 7.285 15.932 1.00 0.00 C ATOM 1712 C ILE A 107 35.002 8.346 14.852 1.00 0.00 C ATOM 1713 O ILE A 107 34.066 8.724 14.149 1.00 0.00 O ATOM 1714 CB ILE A 107 34.567 5.876 15.375 1.00 0.00 C ATOM 1715 CG1 ILE A 107 34.489 4.846 16.504 1.00 0.00 C ATOM 1716 CG2 ILE A 107 35.646 5.521 14.349 1.00 0.00 C ATOM 1717 CD1 ILE A 107 33.359 3.845 16.256 1.00 0.00 C ATOM 0 H ILE A 107 33.898 7.837 17.749 1.00 0.00 H new ATOM 0 HA ILE A 107 35.698 7.234 16.520 1.00 0.00 H new ATOM 0 HB ILE A 107 33.609 5.857 14.855 1.00 0.00 H new ATOM 0 HG12 ILE A 107 35.438 4.316 16.584 1.00 0.00 H new ATOM 0 HG13 ILE A 107 34.327 5.355 17.454 1.00 0.00 H new ATOM 0 HG21 ILE A 107 35.470 4.515 13.969 1.00 0.00 H new ATOM 0 HG22 ILE A 107 35.611 6.232 13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 107 36.627 5.563 14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 107 33.326 3.124 17.073 1.00 0.00 H new ATOM 0 HD12 ILE A 107 32.408 4.376 16.201 1.00 0.00 H new ATOM 0 HD13 ILE A 107 33.537 3.321 15.317 1.00 0.00 H new ATOM 1729 N ASN A 108 36.244 8.797 14.755 1.00 0.00 N ATOM 1730 CA ASN A 108 36.598 9.808 13.773 1.00 0.00 C ATOM 1731 C ASN A 108 38.006 10.328 14.068 1.00 0.00 C ATOM 1732 O ASN A 108 38.237 10.954 15.101 1.00 0.00 O ATOM 1733 CB ASN A 108 35.634 10.994 13.830 1.00 0.00 C ATOM 1734 CG ASN A 108 35.086 11.324 12.440 1.00 0.00 C ATOM 1735 OD1 ASN A 108 34.836 10.455 11.621 1.00 0.00 O ATOM 1736 ND2 ASN A 108 34.914 12.624 12.221 1.00 0.00 N ATOM 0 H ASN A 108 37.018 8.481 15.340 1.00 0.00 H new ATOM 0 HA ASN A 108 36.547 9.350 12.785 1.00 0.00 H new ATOM 0 HB2 ASN A 108 34.809 10.764 14.505 1.00 0.00 H new ATOM 0 HB3 ASN A 108 36.147 11.865 14.238 1.00 0.00 H new ATOM 0 HD21 ASN A 108 34.552 12.947 11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 108 35.144 13.299 12.951 1.00 0.00 H new ATOM 1743 N HIS A 109 38.912 10.050 13.141 1.00 0.00 N ATOM 1744 CA HIS A 109 40.291 10.482 13.289 1.00 0.00 C ATOM 1745 C HIS A 109 41.078 10.127 12.026 1.00 0.00 C ATOM 1746 O HIS A 109 40.559 9.459 11.134 1.00 0.00 O ATOM 1747 CB HIS A 109 40.911 9.896 14.559 1.00 0.00 C ATOM 1748 CG HIS A 109 41.614 8.577 14.346 1.00 0.00 C ATOM 1749 ND1 HIS A 109 42.841 8.295 13.820 1.00 0.00 N flip ATOM 1750 CD2 HIS A 109 41.049 7.361 14.691 1.00 0.00 C flip ATOM 1751 CE1 HIS A 109 43.016 6.980 13.844 1.00 0.00 C flip ATOM 1752 NE2 HIS A 109 41.906 6.399 14.383 1.00 0.00 N flip ATOM 0 H HIS A 109 38.717 9.531 12.285 1.00 0.00 H new ATOM 0 HA HIS A 109 40.326 11.565 13.405 1.00 0.00 H new ATOM 0 HB2 HIS A 109 41.622 10.613 14.968 1.00 0.00 H new ATOM 0 HB3 HIS A 109 40.128 9.762 15.305 1.00 0.00 H new ATOM 0 HD2 HIS A 109 40.075 7.221 15.136 1.00 0.00 H new ATOM 0 HE1 HIS A 109 43.893 6.456 13.494 1.00 0.00 H new ATOM 0 HE2 HIS A 109 41.761 5.399 14.524 1.00 0.00 H new ATOM 1760 N VAL A 110 42.320 10.589 11.992 1.00 0.00 N ATOM 1761 CA VAL A 110 43.184 10.329 10.853 1.00 0.00 C ATOM 1762 C VAL A 110 44.644 10.492 11.279 1.00 0.00 C ATOM 1763 O VAL A 110 44.925 10.995 12.366 1.00 0.00 O ATOM 1764 CB VAL A 110 42.797 11.236 9.684 1.00 0.00 C ATOM 1765 CG1 VAL A 110 43.483 12.599 9.797 1.00 0.00 C ATOM 1766 CG2 VAL A 110 43.117 10.571 8.344 1.00 0.00 C ATOM 0 H VAL A 110 42.748 11.142 12.735 1.00 0.00 H new ATOM 0 HA VAL A 110 43.059 9.304 10.505 1.00 0.00 H new ATOM 0 HB VAL A 110 41.720 11.398 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 110 43.191 13.224 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 110 43.183 13.081 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 110 44.565 12.464 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 110 42.832 11.237 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 110 44.186 10.364 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 110 42.562 9.637 8.260 1.00 0.00 H new ATOM 1776 N GLN A 111 45.536 10.058 10.400 1.00 0.00 N ATOM 1777 CA GLN A 111 46.960 10.149 10.672 1.00 0.00 C ATOM 1778 C GLN A 111 47.612 11.176 9.743 1.00 0.00 C ATOM 1779 O GLN A 111 46.930 11.821 8.949 1.00 0.00 O ATOM 1780 CB GLN A 111 47.633 8.782 10.537 1.00 0.00 C ATOM 1781 CG GLN A 111 48.020 8.502 9.083 1.00 0.00 C ATOM 1782 CD GLN A 111 46.779 8.421 8.192 1.00 0.00 C ATOM 1783 OE1 GLN A 111 46.606 9.480 7.407 1.00 0.00 O flip ATOM 1784 NE2 GLN A 111 46.028 7.459 8.216 1.00 0.00 N flip ATOM 0 H GLN A 111 45.300 9.642 9.499 1.00 0.00 H new ATOM 0 HA GLN A 111 47.093 10.482 11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 111 48.522 8.747 11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 111 46.958 8.004 10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 111 48.681 9.289 8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 111 48.576 7.566 9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 111 46.220 6.678 8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 111 45.209 7.436 7.609 1.00 0.00 H new ATOM 1793 N LYS A 112 48.925 11.295 9.874 1.00 0.00 N ATOM 1794 CA LYS A 112 49.677 12.232 9.056 1.00 0.00 C ATOM 1795 C LYS A 112 51.166 11.886 9.131 1.00 0.00 C ATOM 1796 O LYS A 112 51.873 12.360 10.019 1.00 0.00 O ATOM 1797 CB LYS A 112 49.359 13.672 9.462 1.00 0.00 C ATOM 1798 CG LYS A 112 49.458 14.615 8.261 1.00 0.00 C ATOM 1799 CD LYS A 112 49.910 16.011 8.696 1.00 0.00 C ATOM 1800 CE LYS A 112 51.341 16.293 8.235 1.00 0.00 C ATOM 1801 NZ LYS A 112 51.394 16.428 6.762 1.00 0.00 N ATOM 0 H LYS A 112 49.488 10.758 10.534 1.00 0.00 H new ATOM 0 HA LYS A 112 49.382 12.148 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 112 48.356 13.721 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 112 50.050 13.995 10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 112 50.162 14.211 7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 112 48.490 14.680 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 112 49.236 16.761 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 112 49.851 16.095 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 112 51.707 17.207 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 112 51.999 15.485 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 52.241 16.968 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 51.434 15.484 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 50.545 16.927 6.428 1.00 0.00 H new ATOM 1829 N TYR A 114 55.126 11.451 7.358 1.00 0.00 N ATOM 1830 CA TYR A 114 56.036 12.336 6.651 1.00 0.00 C ATOM 1831 C TYR A 114 57.325 11.605 6.268 1.00 0.00 C ATOM 1832 O TYR A 114 57.727 10.656 6.939 1.00 0.00 O ATOM 1833 CB TYR A 114 56.375 13.461 7.630 1.00 0.00 C ATOM 1834 CG TYR A 114 57.215 13.013 8.828 1.00 0.00 C ATOM 1835 CD1 TYR A 114 58.551 12.714 8.660 1.00 0.00 C ATOM 1836 CD2 TYR A 114 56.636 12.907 10.076 1.00 0.00 C ATOM 1837 CE1 TYR A 114 59.342 12.292 9.787 1.00 0.00 C ATOM 1838 CE2 TYR A 114 57.426 12.485 11.203 1.00 0.00 C ATOM 1839 CZ TYR A 114 58.740 12.198 11.003 1.00 0.00 C ATOM 1840 OH TYR A 114 59.487 11.800 12.068 1.00 0.00 O ATOM 0 HA TYR A 114 55.578 12.704 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 114 56.912 14.244 7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 114 55.448 13.903 7.995 1.00 0.00 H new ATOM 0 HD1 TYR A 114 59.004 12.796 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 114 55.590 13.141 10.207 1.00 0.00 H new ATOM 0 HE1 TYR A 114 60.389 12.056 9.669 1.00 0.00 H new ATOM 0 HE2 TYR A 114 56.985 12.398 12.185 1.00 0.00 H new ATOM 0 HH TYR A 114 58.926 11.780 12.871 1.00 0.00 H new ATOM 1850 N ALA A 115 57.935 12.075 5.190 1.00 0.00 N ATOM 1851 CA ALA A 115 59.170 11.478 4.709 1.00 0.00 C ATOM 1852 C ALA A 115 59.723 12.318 3.557 1.00 0.00 C ATOM 1853 O ALA A 115 59.018 12.585 2.585 1.00 0.00 O ATOM 1854 CB ALA A 115 58.910 10.027 4.301 1.00 0.00 C ATOM 0 H ALA A 115 57.597 12.862 4.636 1.00 0.00 H new ATOM 0 HA ALA A 115 59.923 11.465 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 115 59.836 9.579 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 115 58.547 9.466 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 115 58.161 10.000 3.509 1.00 0.00 H new ATOM 1860 N GLU A 116 60.979 12.712 3.703 1.00 0.00 N ATOM 1861 CA GLU A 116 61.635 13.517 2.686 1.00 0.00 C ATOM 1862 C GLU A 116 63.117 13.693 3.023 1.00 0.00 C ATOM 1863 O GLU A 116 63.609 14.818 3.103 1.00 0.00 O ATOM 1864 CB GLU A 116 60.943 14.872 2.529 1.00 0.00 C ATOM 1865 CG GLU A 116 60.584 15.466 3.893 1.00 0.00 C ATOM 1866 CD GLU A 116 60.565 16.995 3.838 1.00 0.00 C ATOM 1867 OE1 GLU A 116 61.478 17.550 3.189 1.00 0.00 O ATOM 1868 OE2 GLU A 116 59.639 17.573 4.446 1.00 0.00 O ATOM 0 H GLU A 116 61.561 12.489 4.511 1.00 0.00 H new ATOM 0 HA GLU A 116 61.559 12.995 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 116 61.597 15.558 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 116 60.040 14.756 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 116 59.608 15.098 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 116 61.306 15.134 4.639 1.00 0.00 H new ATOM 1875 N MET A 117 63.787 12.566 3.211 1.00 0.00 N ATOM 1876 CA MET A 117 65.202 12.582 3.537 1.00 0.00 C ATOM 1877 C MET A 117 66.058 12.476 2.273 1.00 0.00 C ATOM 1878 O MET A 117 65.567 12.074 1.219 1.00 0.00 O ATOM 1879 CB MET A 117 65.525 11.413 4.470 1.00 0.00 C ATOM 1880 CG MET A 117 65.375 10.074 3.745 1.00 0.00 C ATOM 1881 SD MET A 117 64.546 8.897 4.799 1.00 0.00 S ATOM 1882 CE MET A 117 62.901 9.591 4.805 1.00 0.00 C ATOM 0 H MET A 117 63.376 11.635 3.144 1.00 0.00 H new ATOM 0 HA MET A 117 65.430 13.527 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 117 66.543 11.514 4.847 1.00 0.00 H new ATOM 0 HB3 MET A 117 64.861 11.439 5.334 1.00 0.00 H new ATOM 0 HG2 MET A 117 64.809 10.212 2.824 1.00 0.00 H new ATOM 0 HG3 MET A 117 66.356 9.693 3.462 1.00 0.00 H new ATOM 0 HE1 MET A 117 62.211 8.887 5.270 1.00 0.00 H new ATOM 0 HE2 MET A 117 62.902 10.524 5.369 1.00 0.00 H new ATOM 0 HE3 MET A 117 62.585 9.786 3.780 1.00 0.00 H new ATOM 1892 N ASP A 118 67.322 12.845 2.419 1.00 0.00 N ATOM 1893 CA ASP A 118 68.250 12.797 1.302 1.00 0.00 C ATOM 1894 C ASP A 118 69.475 11.971 1.698 1.00 0.00 C ATOM 1895 O ASP A 118 69.918 12.021 2.844 1.00 0.00 O ATOM 1896 CB ASP A 118 68.728 14.200 0.923 1.00 0.00 C ATOM 1897 CG ASP A 118 69.373 14.311 -0.460 1.00 0.00 C ATOM 1898 OD1 ASP A 118 70.586 14.023 -0.545 1.00 0.00 O ATOM 1899 OD2 ASP A 118 68.638 14.682 -1.401 1.00 0.00 O ATOM 0 H ASP A 118 67.725 13.179 3.294 1.00 0.00 H new ATOM 0 HA ASP A 118 67.733 12.350 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 118 67.878 14.881 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 118 69.446 14.537 1.670 1.00 0.00 H new ATOM 1904 N PRO A 119 70.002 11.210 0.701 1.00 0.00 N ATOM 1905 CA PRO A 119 71.167 10.374 0.934 1.00 0.00 C ATOM 1906 C PRO A 119 72.441 11.218 1.009 1.00 0.00 C ATOM 1907 O PRO A 119 73.135 11.212 2.025 1.00 0.00 O ATOM 1908 CB PRO A 119 71.178 9.384 -0.220 1.00 0.00 C ATOM 1909 CG PRO A 119 70.295 9.992 -1.298 1.00 0.00 C ATOM 1910 CD PRO A 119 69.503 11.125 -0.668 1.00 0.00 C ATOM 0 HA PRO A 119 71.125 9.851 1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 119 72.191 9.225 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 119 70.797 8.412 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 119 70.902 10.364 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 119 69.623 9.239 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 119 69.657 12.061 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 119 68.433 10.919 -0.687 1.00 0.00 H new ATOM 1918 N THR A 120 72.710 11.924 -0.079 1.00 0.00 N ATOM 1919 CA THR A 120 73.888 12.772 -0.149 1.00 0.00 C ATOM 1920 C THR A 120 75.160 11.922 -0.106 1.00 0.00 C ATOM 1921 O THR A 120 75.158 10.824 0.448 1.00 0.00 O ATOM 1922 CB THR A 120 73.802 13.795 0.985 1.00 0.00 C ATOM 1923 OG1 THR A 120 72.533 14.415 0.799 1.00 0.00 O ATOM 1924 CG2 THR A 120 74.804 14.940 0.818 1.00 0.00 C ATOM 0 H THR A 120 72.132 11.926 -0.920 1.00 0.00 H new ATOM 0 HA THR A 120 73.929 13.315 -1.093 1.00 0.00 H new ATOM 0 HB THR A 120 73.977 13.295 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 120 72.228 14.266 -0.120 1.00 0.00 H new ATOM 0 HG21 THR A 120 74.701 15.638 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 120 75.817 14.538 0.805 1.00 0.00 H new ATOM 0 HG23 THR A 120 74.608 15.461 -0.119 1.00 0.00 H new ATOM 1932 N THR A 121 76.215 12.463 -0.697 1.00 0.00 N ATOM 1933 CA THR A 121 77.490 11.768 -0.733 1.00 0.00 C ATOM 1934 C THR A 121 78.557 12.645 -1.392 1.00 0.00 C ATOM 1935 O THR A 121 78.242 13.686 -1.967 1.00 0.00 O ATOM 1936 CB THR A 121 77.280 10.430 -1.445 1.00 0.00 C ATOM 1937 OG1 THR A 121 78.583 10.066 -1.893 1.00 0.00 O ATOM 1938 CG2 THR A 121 76.469 10.573 -2.734 1.00 0.00 C ATOM 0 H THR A 121 76.213 13.375 -1.155 1.00 0.00 H new ATOM 0 HA THR A 121 77.857 11.564 0.273 1.00 0.00 H new ATOM 0 HB THR A 121 76.773 9.738 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 121 79.072 9.635 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 121 76.349 9.594 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 121 75.488 10.987 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 121 76.991 11.240 -3.420 1.00 0.00 H new ATOM 1946 N ALA A 122 79.797 12.192 -1.287 1.00 0.00 N ATOM 1947 CA ALA A 122 80.912 12.923 -1.865 1.00 0.00 C ATOM 1948 C ALA A 122 82.211 12.159 -1.597 1.00 0.00 C ATOM 1949 O ALA A 122 82.335 11.476 -0.582 1.00 0.00 O ATOM 1950 CB ALA A 122 80.943 14.342 -1.295 1.00 0.00 C ATOM 0 H ALA A 122 80.055 11.328 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 122 80.796 13.008 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 122 81.779 14.890 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 122 80.010 14.852 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 122 81.061 14.297 -0.212 1.00 0.00 H new ATOM 1956 N ALA A 123 83.145 12.300 -2.526 1.00 0.00 N ATOM 1957 CA ALA A 123 84.429 11.631 -2.403 1.00 0.00 C ATOM 1958 C ALA A 123 85.281 11.942 -3.636 1.00 0.00 C ATOM 1959 O ALA A 123 84.860 12.696 -4.512 1.00 0.00 O ATOM 1960 CB ALA A 123 84.207 10.130 -2.212 1.00 0.00 C ATOM 0 H ALA A 123 83.038 12.867 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 123 84.969 11.994 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 123 85.170 9.629 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 123 83.622 9.961 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 123 83.670 9.729 -3.072 1.00 0.00 H new ATOM 1966 N LEU A 124 86.464 11.346 -3.663 1.00 0.00 N ATOM 1967 CA LEU A 124 87.379 11.550 -4.774 1.00 0.00 C ATOM 1968 C LEU A 124 87.908 12.985 -4.736 1.00 0.00 C ATOM 1969 O LEU A 124 89.005 13.234 -4.237 1.00 0.00 O ATOM 1970 CB LEU A 124 86.708 11.177 -6.097 1.00 0.00 C ATOM 1971 CG LEU A 124 86.162 9.751 -6.193 1.00 0.00 C ATOM 1972 CD1 LEU A 124 85.511 9.504 -7.555 1.00 0.00 C ATOM 1973 CD2 LEU A 124 87.254 8.724 -5.886 1.00 0.00 C ATOM 0 H LEU A 124 86.810 10.722 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 124 88.241 10.889 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 124 85.887 11.872 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 124 87.429 11.324 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 124 85.385 9.631 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 124 85.131 8.483 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 124 84.687 10.204 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 124 86.250 9.649 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 124 86.839 7.719 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 124 88.069 8.835 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 124 87.632 8.886 -4.877 1.00 0.00 H new ATOM 1985 N GLU A 125 87.104 13.893 -5.269 1.00 0.00 N ATOM 1986 CA GLU A 125 87.477 15.297 -5.303 1.00 0.00 C ATOM 1987 C GLU A 125 88.737 15.491 -6.149 1.00 0.00 C ATOM 1988 O GLU A 125 89.770 14.880 -5.880 1.00 0.00 O ATOM 1989 CB GLU A 125 87.677 15.845 -3.889 1.00 0.00 C ATOM 1990 CG GLU A 125 87.347 17.338 -3.827 1.00 0.00 C ATOM 1991 CD GLU A 125 85.871 17.587 -4.146 1.00 0.00 C ATOM 1992 OE1 GLU A 125 85.030 17.017 -3.419 1.00 0.00 O ATOM 1993 OE2 GLU A 125 85.619 18.341 -5.110 1.00 0.00 O ATOM 0 H GLU A 125 86.195 13.684 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 125 86.664 15.858 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 125 87.042 15.299 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 125 88.708 15.684 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 125 87.578 17.724 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 125 87.973 17.882 -4.535 1.00 0.00 H new ATOM 2000 N LYS A 126 88.609 16.343 -7.156 1.00 0.00 N ATOM 2001 CA LYS A 126 89.725 16.626 -8.043 1.00 0.00 C ATOM 2002 C LYS A 126 90.730 17.526 -7.322 1.00 0.00 C ATOM 2003 O LYS A 126 90.341 18.405 -6.554 1.00 0.00 O ATOM 2004 CB LYS A 126 89.222 17.203 -9.368 1.00 0.00 C ATOM 2005 CG LYS A 126 90.371 17.821 -10.168 1.00 0.00 C ATOM 2006 CD LYS A 126 91.251 16.736 -10.792 1.00 0.00 C ATOM 2007 CE LYS A 126 92.377 17.354 -11.623 1.00 0.00 C ATOM 2008 NZ LYS A 126 93.630 16.585 -11.450 1.00 0.00 N ATOM 0 H LYS A 126 87.750 16.846 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 126 90.250 15.706 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 126 88.748 16.416 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 126 88.461 17.959 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 126 89.969 18.463 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 126 90.974 18.453 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 126 91.675 16.110 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 126 90.643 16.087 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 126 92.094 17.368 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 126 92.534 18.389 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 94.393 17.037 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 93.888 16.564 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 93.491 15.613 -11.792 1.00 0.00 H new ATOM 2022 N GLU A 127 92.002 17.276 -7.594 1.00 0.00 N ATOM 2023 CA GLU A 127 93.065 18.053 -6.981 1.00 0.00 C ATOM 2024 C GLU A 127 94.418 17.672 -7.586 1.00 0.00 C ATOM 2025 O GLU A 127 94.673 16.500 -7.858 1.00 0.00 O ATOM 2026 CB GLU A 127 93.073 17.869 -5.462 1.00 0.00 C ATOM 2027 CG GLU A 127 93.097 16.385 -5.089 1.00 0.00 C ATOM 2028 CD GLU A 127 93.737 16.175 -3.715 1.00 0.00 C ATOM 2029 OE1 GLU A 127 93.390 16.957 -2.803 1.00 0.00 O ATOM 2030 OE2 GLU A 127 94.557 15.238 -3.608 1.00 0.00 O ATOM 0 H GLU A 127 92.320 16.546 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 127 92.881 19.108 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 127 93.943 18.369 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 127 92.191 18.342 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 127 92.081 15.991 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 127 93.652 15.826 -5.842 1.00 0.00 H new ATOM 2037 N SER A 128 95.250 18.685 -7.779 1.00 0.00 N ATOM 2038 CA SER A 128 96.570 18.471 -8.347 1.00 0.00 C ATOM 2039 C SER A 128 97.380 19.768 -8.293 1.00 0.00 C ATOM 2040 O SER A 128 96.843 20.826 -7.971 1.00 0.00 O ATOM 2041 CB SER A 128 96.474 17.965 -9.788 1.00 0.00 C ATOM 2042 OG SER A 128 95.835 18.909 -10.644 1.00 0.00 O ATOM 0 H SER A 128 95.035 19.656 -7.552 1.00 0.00 H new ATOM 0 HA SER A 128 97.077 17.709 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 128 97.474 17.753 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 128 95.921 17.026 -9.806 1.00 0.00 H new ATOM 0 HG SER A 128 95.795 18.550 -11.555 1.00 0.00 H new ATOM 2048 N GLY A 129 98.660 19.643 -8.612 1.00 0.00 N ATOM 2049 CA GLY A 129 99.549 20.792 -8.603 1.00 0.00 C ATOM 2050 C GLY A 129 101.014 20.352 -8.649 1.00 0.00 C ATOM 2051 O GLY A 129 101.603 20.034 -7.617 1.00 0.00 O ATOM 0 H GLY A 129 99.103 18.763 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 129 99.331 21.432 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 129 99.372 21.386 -7.707 1.00 0.00 H new ATOM 2055 N PRO A 130 101.574 20.348 -9.888 1.00 0.00 N ATOM 2056 CA PRO A 130 102.959 19.952 -10.081 1.00 0.00 C ATOM 2057 C PRO A 130 103.914 21.053 -9.615 1.00 0.00 C ATOM 2058 O PRO A 130 103.480 22.067 -9.072 1.00 0.00 O ATOM 2059 CB PRO A 130 103.079 19.652 -11.567 1.00 0.00 C ATOM 2060 CG PRO A 130 101.890 20.333 -12.226 1.00 0.00 C ATOM 2061 CD PRO A 130 100.908 20.718 -11.133 1.00 0.00 C ATOM 0 HA PRO A 130 103.233 19.079 -9.488 1.00 0.00 H new ATOM 0 HB2 PRO A 130 104.019 20.032 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 130 103.065 18.578 -11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 130 102.213 21.216 -12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 130 101.417 19.664 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 130 100.684 21.784 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 130 99.961 20.190 -11.248 1.00 0.00 H new ATOM 2069 N SER A 131 105.197 20.815 -9.845 1.00 0.00 N ATOM 2070 CA SER A 131 106.217 21.774 -9.455 1.00 0.00 C ATOM 2071 C SER A 131 107.563 21.386 -10.071 1.00 0.00 C ATOM 2072 O SER A 131 107.695 20.312 -10.657 1.00 0.00 O ATOM 2073 CB SER A 131 106.337 21.862 -7.932 1.00 0.00 C ATOM 2074 OG SER A 131 106.838 20.655 -7.365 1.00 0.00 O ATOM 0 H SER A 131 105.553 19.973 -10.296 1.00 0.00 H new ATOM 0 HA SER A 131 105.923 22.756 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 131 106.997 22.688 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 131 105.360 22.085 -7.504 1.00 0.00 H new ATOM 0 HG SER A 131 106.901 20.752 -6.392 1.00 0.00 H new ATOM 2080 N SER A 132 108.527 22.281 -9.919 1.00 0.00 N ATOM 2081 CA SER A 132 109.858 22.046 -10.453 1.00 0.00 C ATOM 2082 C SER A 132 110.914 22.558 -9.472 1.00 0.00 C ATOM 2083 O SER A 132 111.766 21.796 -9.017 1.00 0.00 O ATOM 2084 CB SER A 132 110.031 22.717 -11.817 1.00 0.00 C ATOM 2085 OG SER A 132 109.933 21.783 -12.888 1.00 0.00 O ATOM 0 H SER A 132 108.413 23.171 -9.433 1.00 0.00 H new ATOM 0 HA SER A 132 109.987 20.972 -10.588 1.00 0.00 H new ATOM 0 HB2 SER A 132 109.272 23.490 -11.940 1.00 0.00 H new ATOM 0 HB3 SER A 132 111.001 23.213 -11.856 1.00 0.00 H new ATOM 0 HG SER A 132 110.047 22.251 -13.742 1.00 0.00 H new ATOM 2091 N GLY A 133 110.824 23.846 -9.174 1.00 0.00 N ATOM 2092 CA GLY A 133 111.761 24.469 -8.255 1.00 0.00 C ATOM 2093 C GLY A 133 112.948 25.073 -9.008 1.00 0.00 C ATOM 2094 O GLY A 133 113.827 25.683 -8.401 1.00 0.00 O ATOM 0 H GLY A 133 110.116 24.475 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 133 111.254 25.247 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 133 112.119 23.730 -7.538 1.00 0.00 H new