USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 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 127 GLN : amide:sc= -1.52 K(o=-2.8,f=-0.11) USER MOD Set 1.2: A 163 HIS : no HD1:sc= -1.28 K(o=-2.8,f=-0.11) USER MOD Set 2.1: A 88 MET CE :methyl -153:sc= -1.36! (180deg=-2.38) USER MOD Set 2.2: A 130 CYS SG : rot 11:sc= 1.24 USER MOD Set 3.1: A 71 LYS NZ :NH3+ 141:sc= 0.213 (180deg=-0.2) USER MOD Set 3.2: A 72 ASN : amide:sc= 0.411 K(o=0.62,f=-3!) USER MOD Single : A 16 GLN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0352 (180deg=-0.285) USER MOD Single : A 21 GLN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 25 MET CE :methyl 160:sc= 0 (180deg=-0.712) USER MOD Single : A 34 MET CE :methyl 176:sc= -4.11 (180deg=-4.15) USER MOD Single : A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 45 MET CE :methyl -157:sc= -4.68! (180deg=-6.05!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 90:sc= 1.19 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.236 USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 0.62 (180deg=0.0924) USER MOD Single : A 55 SER OG : rot 33:sc= 0.487 USER MOD Single : A 57 ASN : amide:sc= -4.28! C(o=-4.3!,f=-5.2!) USER MOD Single : A 58 MET CE :methyl 132:sc= -5.36! (180deg=-6.65!) USER MOD Single : A 59 ASN : amide:sc= -3.65! C(o=-3.6!,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot 9:sc= 0.69 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 80 CYS SG : rot 179:sc= -0.598 USER MOD Single : A 86 SER OG : rot -95:sc= 0.137 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.242 (180deg=-0.898) USER MOD Single : A 95 HIS : no HD1:sc= -3.15! K(o=-3.1!,f=-2.6) USER MOD Single : A 96 THR OG1 : rot -70:sc= 1.2 USER MOD Single : A 101 MET CE :methyl -179:sc= -4.28! (180deg=-4.28!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.452 USER MOD Single : A 111 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-3.2) USER MOD Single : A 115 CYS SG : rot 50:sc= -2.36 USER MOD Single : A 118 ASN : amide:sc= -0.718 K(o=-0.72,f=-0.11) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -4.42! C(o=-4.4!,f=-12!) USER MOD Single : A 169 GLN : amide:sc= -0.0696 K(o=-0.07,f=-3.6!) USER MOD Single : A 170 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.053) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= 0.282 K(o=0.28,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.223 1.104 14.282 1.00 0.00 N ATOM 179 CA VAL A 15 6.734 1.160 12.909 1.00 0.00 C ATOM 180 C VAL A 15 7.878 1.383 11.927 1.00 0.00 C ATOM 181 O VAL A 15 8.901 1.972 12.275 1.00 0.00 O ATOM 182 CB VAL A 15 5.693 2.281 12.730 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.305 3.636 13.052 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.130 2.264 11.316 1.00 0.00 C ATOM 0 HA VAL A 15 6.263 0.199 12.701 1.00 0.00 H new ATOM 0 HB VAL A 15 4.873 2.105 13.426 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.554 4.415 12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.655 3.641 14.084 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.145 3.824 12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.396 3.062 11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.939 2.414 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.652 1.303 11.126 1.00 0.00 H new ATOM 194 N GLN A 16 7.698 0.908 10.699 1.00 0.00 N ATOM 195 CA GLN A 16 8.716 1.055 9.666 1.00 0.00 C ATOM 196 C GLN A 16 8.288 2.081 8.622 1.00 0.00 C ATOM 197 O GLN A 16 7.216 1.969 8.028 1.00 0.00 O ATOM 198 CB GLN A 16 8.989 -0.291 8.993 1.00 0.00 C ATOM 199 CG GLN A 16 9.493 -1.359 9.951 1.00 0.00 C ATOM 200 CD GLN A 16 9.477 -2.746 9.339 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.510 -3.409 9.249 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.300 -3.192 8.916 1.00 0.00 N ATOM 0 H GLN A 16 6.857 0.418 10.395 1.00 0.00 H new ATOM 0 HA GLN A 16 9.631 1.407 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.073 -0.643 8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.724 -0.149 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.509 -1.114 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.877 -1.355 10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.469 -2.608 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.227 -4.119 8.496 1.00 0.00 H new ATOM 211 N LYS A 17 9.133 3.083 8.404 1.00 0.00 N ATOM 212 CA LYS A 17 8.844 4.130 7.431 1.00 0.00 C ATOM 213 C LYS A 17 9.563 3.861 6.113 1.00 0.00 C ATOM 214 O LYS A 17 10.740 3.499 6.098 1.00 0.00 O ATOM 215 CB LYS A 17 9.261 5.496 7.982 1.00 0.00 C ATOM 216 CG LYS A 17 10.748 5.608 8.269 1.00 0.00 C ATOM 217 CD LYS A 17 11.046 6.745 9.232 1.00 0.00 C ATOM 218 CE LYS A 17 12.539 7.021 9.324 1.00 0.00 C ATOM 219 NZ LYS A 17 13.084 7.557 8.046 1.00 0.00 N ATOM 0 H LYS A 17 10.024 3.192 8.888 1.00 0.00 H new ATOM 0 HA LYS A 17 7.770 4.132 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.978 6.268 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.707 5.693 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.110 4.670 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.288 5.769 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.528 7.646 8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.659 6.497 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.728 7.734 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.063 6.101 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.002 8.012 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.209 6.778 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.422 8.256 7.652 1.00 0.00 H new ATOM 233 N PHE A 18 8.848 4.042 5.007 1.00 0.00 N ATOM 234 CA PHE A 18 9.418 3.820 3.683 1.00 0.00 C ATOM 235 C PHE A 18 9.401 5.105 2.860 1.00 0.00 C ATOM 236 O PHE A 18 8.407 5.831 2.844 1.00 0.00 O ATOM 237 CB PHE A 18 8.646 2.721 2.950 1.00 0.00 C ATOM 238 CG PHE A 18 8.845 1.354 3.539 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.929 0.575 3.165 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.949 0.847 4.465 1.00 0.00 C ATOM 241 CE1 PHE A 18 10.115 -0.684 3.705 1.00 0.00 C ATOM 242 CE2 PHE A 18 8.130 -0.411 5.009 1.00 0.00 C ATOM 243 CZ PHE A 18 9.214 -1.178 4.627 1.00 0.00 C ATOM 0 H PHE A 18 7.873 4.342 5.002 1.00 0.00 H new ATOM 0 HA PHE A 18 10.454 3.505 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.583 2.963 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.955 2.706 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.636 0.956 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.099 1.441 4.766 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.964 -1.280 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.425 -0.794 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.356 -2.162 5.049 1.00 0.00 H new ATOM 253 N ARG A 19 10.509 5.379 2.179 1.00 0.00 N ATOM 254 CA ARG A 19 10.622 6.577 1.356 1.00 0.00 C ATOM 255 C ARG A 19 9.874 6.403 0.037 1.00 0.00 C ATOM 256 O ARG A 19 10.312 5.665 -0.845 1.00 0.00 O ATOM 257 CB ARG A 19 12.093 6.895 1.081 1.00 0.00 C ATOM 258 CG ARG A 19 12.320 8.289 0.519 1.00 0.00 C ATOM 259 CD ARG A 19 12.266 8.293 -1.001 1.00 0.00 C ATOM 260 NE ARG A 19 13.510 7.810 -1.594 1.00 0.00 N ATOM 261 CZ ARG A 19 14.616 8.540 -1.678 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.633 9.780 -1.208 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.709 8.031 -2.232 1.00 0.00 N ATOM 0 H ARG A 19 11.340 4.788 2.181 1.00 0.00 H new ATOM 0 HA ARG A 19 10.173 7.407 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.658 6.789 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.490 6.161 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.564 8.969 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.289 8.663 0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.438 7.668 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.065 9.304 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 19 13.530 6.860 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.795 10.175 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.484 10.339 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.701 7.078 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.558 8.593 -2.296 1.00 0.00 H new ATOM 277 N VAL A 20 8.741 7.088 -0.088 1.00 0.00 N ATOM 278 CA VAL A 20 7.931 7.010 -1.299 1.00 0.00 C ATOM 279 C VAL A 20 7.383 8.380 -1.682 1.00 0.00 C ATOM 280 O VAL A 20 7.614 9.368 -0.986 1.00 0.00 O ATOM 281 CB VAL A 20 6.756 6.029 -1.125 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.267 4.642 -0.767 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.788 6.540 -0.069 1.00 0.00 C ATOM 0 H VAL A 20 8.364 7.702 0.633 1.00 0.00 H new ATOM 0 HA VAL A 20 8.583 6.648 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 20 6.220 5.959 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.423 3.963 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.917 4.277 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.828 4.691 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.964 5.835 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.309 6.641 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.397 7.511 -0.373 1.00 0.00 H new ATOM 293 N GLN A 21 6.656 8.431 -2.793 1.00 0.00 N ATOM 294 CA GLN A 21 6.075 9.680 -3.269 1.00 0.00 C ATOM 295 C GLN A 21 4.553 9.637 -3.193 1.00 0.00 C ATOM 296 O GLN A 21 3.952 8.563 -3.198 1.00 0.00 O ATOM 297 CB GLN A 21 6.518 9.958 -4.707 1.00 0.00 C ATOM 298 CG GLN A 21 7.897 10.590 -4.808 1.00 0.00 C ATOM 299 CD GLN A 21 8.357 10.759 -6.243 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.219 10.021 -6.721 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.785 11.735 -6.938 1.00 0.00 N ATOM 0 H GLN A 21 6.455 7.622 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 21 6.430 10.485 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.514 9.023 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.790 10.616 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.883 11.563 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.616 9.972 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.075 12.323 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.056 11.897 -7.908 1.00 0.00 H new ATOM 310 N TYR A 22 3.936 10.811 -3.121 1.00 0.00 N ATOM 311 CA TYR A 22 2.483 10.907 -3.041 1.00 0.00 C ATOM 312 C TYR A 22 1.902 11.481 -4.329 1.00 0.00 C ATOM 313 O TYR A 22 2.064 12.667 -4.622 1.00 0.00 O ATOM 314 CB TYR A 22 2.074 11.777 -1.851 1.00 0.00 C ATOM 315 CG TYR A 22 0.577 11.920 -1.692 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.275 10.853 -1.951 1.00 0.00 C ATOM 317 CD2 TYR A 22 0.014 13.123 -1.283 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.643 10.980 -1.807 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.353 13.259 -1.136 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.177 12.185 -1.400 1.00 0.00 C ATOM 321 OH TYR A 22 -3.539 12.315 -1.255 1.00 0.00 O ATOM 0 H TYR A 22 4.419 11.709 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 22 2.085 9.902 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.489 11.348 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.515 12.767 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.140 9.908 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.656 13.966 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.291 10.141 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.774 14.201 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.751 13.225 -0.961 1.00 0.00 H new ATOM 331 N LEU A 23 1.225 10.633 -5.095 1.00 0.00 N ATOM 332 CA LEU A 23 0.619 11.055 -6.353 1.00 0.00 C ATOM 333 C LEU A 23 -0.662 11.844 -6.102 1.00 0.00 C ATOM 334 O LEU A 23 -0.853 12.929 -6.651 1.00 0.00 O ATOM 335 CB LEU A 23 0.318 9.838 -7.230 1.00 0.00 C ATOM 336 CG LEU A 23 1.533 9.093 -7.783 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.087 8.130 -6.744 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.168 8.350 -9.060 1.00 0.00 C ATOM 0 H LEU A 23 1.082 9.649 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 23 1.327 11.702 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.280 9.136 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.297 10.163 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 23 2.306 9.824 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.951 7.609 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.387 8.686 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.320 7.404 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.045 7.826 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.378 7.630 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.819 9.062 -9.808 1.00 0.00 H new ATOM 350 N GLY A 24 -1.537 11.293 -5.267 1.00 0.00 N ATOM 351 CA GLY A 24 -2.788 11.960 -4.956 1.00 0.00 C ATOM 352 C GLY A 24 -3.820 11.015 -4.372 1.00 0.00 C ATOM 353 O GLY A 24 -3.512 9.865 -4.063 1.00 0.00 O ATOM 0 H GLY A 24 -1.402 10.396 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.599 12.768 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.188 12.415 -5.862 1.00 0.00 H new ATOM 357 N MET A 25 -5.047 11.502 -4.221 1.00 0.00 N ATOM 358 CA MET A 25 -6.128 10.692 -3.670 1.00 0.00 C ATOM 359 C MET A 25 -7.261 10.540 -4.679 1.00 0.00 C ATOM 360 O MET A 25 -7.749 11.525 -5.233 1.00 0.00 O ATOM 361 CB MET A 25 -6.658 11.321 -2.380 1.00 0.00 C ATOM 362 CG MET A 25 -7.625 10.426 -1.621 1.00 0.00 C ATOM 363 SD MET A 25 -8.752 11.359 -0.567 1.00 0.00 S ATOM 364 CE MET A 25 -9.929 11.959 -1.776 1.00 0.00 C ATOM 0 H MET A 25 -5.318 12.453 -4.472 1.00 0.00 H new ATOM 0 HA MET A 25 -5.730 9.702 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.816 11.565 -1.732 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.157 12.259 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.203 9.836 -2.332 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.060 9.723 -1.009 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.855 12.239 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.515 12.829 -2.286 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.134 11.175 -2.505 1.00 0.00 H new ATOM 374 N LEU A 26 -7.676 9.299 -4.913 1.00 0.00 N ATOM 375 CA LEU A 26 -8.754 9.018 -5.855 1.00 0.00 C ATOM 376 C LEU A 26 -9.683 7.937 -5.313 1.00 0.00 C ATOM 377 O LEU A 26 -9.283 6.794 -5.090 1.00 0.00 O ATOM 378 CB LEU A 26 -8.177 8.582 -7.203 1.00 0.00 C ATOM 379 CG LEU A 26 -9.008 8.939 -8.436 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.377 8.280 -8.366 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.146 10.449 -8.567 1.00 0.00 C ATOM 0 H LEU A 26 -7.282 8.472 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.332 9.932 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.189 9.028 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.038 7.501 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.492 8.564 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.954 8.545 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.258 7.197 -8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.901 8.624 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.740 10.685 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.639 10.848 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.157 10.898 -8.665 1.00 0.00 H new ATOM 393 N PRO A 27 -10.955 8.304 -5.098 1.00 0.00 N ATOM 394 CA PRO A 27 -11.969 7.379 -4.582 1.00 0.00 C ATOM 395 C PRO A 27 -12.348 6.308 -5.599 1.00 0.00 C ATOM 396 O PRO A 27 -12.121 6.469 -6.798 1.00 0.00 O ATOM 397 CB PRO A 27 -13.165 8.290 -4.294 1.00 0.00 C ATOM 398 CG PRO A 27 -12.986 9.452 -5.209 1.00 0.00 C ATOM 399 CD PRO A 27 -11.502 9.650 -5.341 1.00 0.00 C ATOM 0 HA PRO A 27 -11.614 6.830 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.108 7.778 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.180 8.606 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.442 9.258 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.464 10.344 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.233 10.021 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.127 10.373 -4.617 1.00 0.00 H new ATOM 407 N VAL A 28 -12.926 5.215 -5.112 1.00 0.00 N ATOM 408 CA VAL A 28 -13.338 4.117 -5.979 1.00 0.00 C ATOM 409 C VAL A 28 -14.831 3.840 -5.843 1.00 0.00 C ATOM 410 O VAL A 28 -15.537 4.531 -5.109 1.00 0.00 O ATOM 411 CB VAL A 28 -12.556 2.828 -5.663 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.087 2.993 -6.022 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.716 2.455 -4.197 1.00 0.00 C ATOM 0 H VAL A 28 -13.120 5.066 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.120 4.423 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.964 2.018 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.551 2.072 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.995 3.210 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.662 3.815 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.157 1.542 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.335 3.263 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.771 2.292 -3.976 1.00 0.00 H new ATOM 423 N ASP A 29 -15.305 2.823 -6.555 1.00 0.00 N ATOM 424 CA ASP A 29 -16.715 2.452 -6.513 1.00 0.00 C ATOM 425 C ASP A 29 -16.890 1.046 -5.947 1.00 0.00 C ATOM 426 O ASP A 29 -17.840 0.777 -5.212 1.00 0.00 O ATOM 427 CB ASP A 29 -17.327 2.532 -7.912 1.00 0.00 C ATOM 428 CG ASP A 29 -18.788 2.125 -7.929 1.00 0.00 C ATOM 429 OD1 ASP A 29 -19.066 0.912 -7.836 1.00 0.00 O ATOM 430 OD2 ASP A 29 -19.652 3.021 -8.036 1.00 0.00 O ATOM 0 H ASP A 29 -14.734 2.241 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.231 3.154 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.232 3.550 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.765 1.888 -8.589 1.00 0.00 H new ATOM 435 N ARG A 30 -15.969 0.155 -6.296 1.00 0.00 N ATOM 436 CA ARG A 30 -16.023 -1.224 -5.825 1.00 0.00 C ATOM 437 C ARG A 30 -14.906 -1.500 -4.823 1.00 0.00 C ATOM 438 O ARG A 30 -13.790 -0.995 -4.945 1.00 0.00 O ATOM 439 CB ARG A 30 -15.915 -2.193 -7.004 1.00 0.00 C ATOM 440 CG ARG A 30 -17.051 -2.061 -8.006 1.00 0.00 C ATOM 441 CD ARG A 30 -18.314 -2.747 -7.510 1.00 0.00 C ATOM 442 NE ARG A 30 -19.334 -2.833 -8.551 1.00 0.00 N ATOM 443 CZ ARG A 30 -20.456 -3.533 -8.425 1.00 0.00 C ATOM 444 NH1 ARG A 30 -20.700 -4.204 -7.308 1.00 0.00 N ATOM 445 NH2 ARG A 30 -21.337 -3.563 -9.417 1.00 0.00 N ATOM 0 H ARG A 30 -15.176 0.363 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.981 -1.374 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.968 -2.024 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.894 -3.214 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -17.256 -1.006 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.750 -2.496 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -18.068 -3.749 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.713 -2.199 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.176 -2.328 -9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -20.026 -4.183 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -21.562 -4.741 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.153 -3.048 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -22.198 -4.101 -9.318 1.00 0.00 H new ATOM 459 N PRO A 31 -15.211 -2.321 -3.807 1.00 0.00 N ATOM 460 CA PRO A 31 -14.247 -2.683 -2.764 1.00 0.00 C ATOM 461 C PRO A 31 -13.137 -3.587 -3.289 1.00 0.00 C ATOM 462 O PRO A 31 -12.000 -3.527 -2.821 1.00 0.00 O ATOM 463 CB PRO A 31 -15.101 -3.428 -1.735 1.00 0.00 C ATOM 464 CG PRO A 31 -16.251 -3.965 -2.514 1.00 0.00 C ATOM 465 CD PRO A 31 -16.522 -2.960 -3.599 1.00 0.00 C ATOM 0 HA PRO A 31 -13.735 -1.809 -2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.537 -4.230 -1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.438 -2.760 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.014 -4.941 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.126 -4.097 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.885 -3.439 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.279 -2.236 -3.296 1.00 0.00 H new ATOM 473 N VAL A 32 -13.473 -4.424 -4.266 1.00 0.00 N ATOM 474 CA VAL A 32 -12.504 -5.339 -4.856 1.00 0.00 C ATOM 475 C VAL A 32 -12.518 -5.248 -6.378 1.00 0.00 C ATOM 476 O VAL A 32 -13.564 -5.030 -6.988 1.00 0.00 O ATOM 477 CB VAL A 32 -12.781 -6.796 -4.438 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.623 -6.959 -2.934 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.171 -7.223 -4.886 1.00 0.00 C ATOM 0 H VAL A 32 -14.409 -4.487 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.523 -5.042 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.052 -7.442 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.822 -7.994 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.606 -6.696 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.327 -6.304 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.350 -8.255 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.917 -6.575 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.243 -7.146 -5.971 1.00 0.00 H new ATOM 489 N GLY A 33 -11.347 -5.416 -6.986 1.00 0.00 N ATOM 490 CA GLY A 33 -11.246 -5.349 -8.432 1.00 0.00 C ATOM 491 C GLY A 33 -10.147 -4.414 -8.894 1.00 0.00 C ATOM 492 O GLY A 33 -10.178 -3.218 -8.605 1.00 0.00 O ATOM 0 H GLY A 33 -10.467 -5.597 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.059 -6.348 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.199 -5.017 -8.845 1.00 0.00 H new ATOM 496 N MET A 34 -9.170 -4.959 -9.612 1.00 0.00 N ATOM 497 CA MET A 34 -8.055 -4.164 -10.114 1.00 0.00 C ATOM 498 C MET A 34 -8.537 -3.133 -11.129 1.00 0.00 C ATOM 499 O MET A 34 -8.074 -1.992 -11.137 1.00 0.00 O ATOM 500 CB MET A 34 -7.001 -5.071 -10.751 1.00 0.00 C ATOM 501 CG MET A 34 -6.027 -5.668 -9.748 1.00 0.00 C ATOM 502 SD MET A 34 -4.579 -4.627 -9.481 1.00 0.00 S ATOM 503 CE MET A 34 -4.995 -3.864 -7.915 1.00 0.00 C ATOM 0 H MET A 34 -9.128 -5.948 -9.859 1.00 0.00 H new ATOM 0 HA MET A 34 -7.608 -3.636 -9.271 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.503 -5.879 -11.283 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.442 -4.500 -11.492 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.539 -5.822 -8.798 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.705 -6.648 -10.099 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.163 -3.244 -7.580 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.883 -3.244 -8.037 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.192 -4.639 -7.174 1.00 0.00 H new ATOM 513 N ASP A 35 -9.467 -3.542 -11.985 1.00 0.00 N ATOM 514 CA ASP A 35 -10.012 -2.653 -13.005 1.00 0.00 C ATOM 515 C ASP A 35 -10.496 -1.346 -12.384 1.00 0.00 C ATOM 516 O ASP A 35 -10.608 -0.326 -13.065 1.00 0.00 O ATOM 517 CB ASP A 35 -11.162 -3.336 -13.746 1.00 0.00 C ATOM 518 CG ASP A 35 -10.676 -4.386 -14.726 1.00 0.00 C ATOM 519 OD1 ASP A 35 -9.852 -4.045 -15.601 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.118 -5.548 -14.618 1.00 0.00 O ATOM 0 H ASP A 35 -9.859 -4.483 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.217 -2.425 -13.715 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.832 -3.801 -13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.743 -2.585 -14.281 1.00 0.00 H new ATOM 525 N THR A 36 -10.783 -1.383 -11.086 1.00 0.00 N ATOM 526 CA THR A 36 -11.257 -0.204 -10.374 1.00 0.00 C ATOM 527 C THR A 36 -10.117 0.488 -9.636 1.00 0.00 C ATOM 528 O THR A 36 -10.005 1.715 -9.655 1.00 0.00 O ATOM 529 CB THR A 36 -12.363 -0.564 -9.365 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.480 -1.144 -10.048 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.817 0.669 -8.596 1.00 0.00 C ATOM 0 H THR A 36 -10.695 -2.218 -10.507 1.00 0.00 H new ATOM 0 HA THR A 36 -11.666 0.474 -11.123 1.00 0.00 H new ATOM 0 HB THR A 36 -11.956 -1.286 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.236 -1.224 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.599 0.390 -7.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.971 1.091 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.207 1.410 -9.294 1.00 0.00 H new ATOM 539 N LEU A 37 -9.272 -0.305 -8.986 1.00 0.00 N ATOM 540 CA LEU A 37 -8.138 0.232 -8.241 1.00 0.00 C ATOM 541 C LEU A 37 -7.218 1.036 -9.154 1.00 0.00 C ATOM 542 O LEU A 37 -6.795 2.139 -8.809 1.00 0.00 O ATOM 543 CB LEU A 37 -7.354 -0.903 -7.579 1.00 0.00 C ATOM 544 CG LEU A 37 -6.174 -0.482 -6.703 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.957 -1.486 -5.582 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.913 -0.334 -7.541 1.00 0.00 C ATOM 0 H LEU A 37 -9.350 -1.322 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.524 0.897 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.044 -1.486 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.982 -1.565 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.404 0.485 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.113 -1.170 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.854 -1.541 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.749 -2.467 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.084 -0.034 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.678 -1.286 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.072 0.424 -8.307 1.00 0.00 H new ATOM 558 N ASN A 38 -6.914 0.477 -10.321 1.00 0.00 N ATOM 559 CA ASN A 38 -6.046 1.143 -11.284 1.00 0.00 C ATOM 560 C ASN A 38 -6.705 2.407 -11.828 1.00 0.00 C ATOM 561 O ASN A 38 -6.040 3.418 -12.052 1.00 0.00 O ATOM 562 CB ASN A 38 -5.707 0.195 -12.437 1.00 0.00 C ATOM 563 CG ASN A 38 -4.644 -0.819 -12.058 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.567 -0.857 -12.653 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.944 -1.646 -11.064 1.00 0.00 N ATOM 0 H ASN A 38 -7.256 -0.436 -10.622 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.126 1.426 -10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.610 -0.329 -12.750 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.363 0.776 -13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.269 -2.350 -10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.850 -1.578 -10.600 1.00 0.00 H new ATOM 572 N SER A 39 -8.016 2.341 -12.036 1.00 0.00 N ATOM 573 CA SER A 39 -8.765 3.479 -12.557 1.00 0.00 C ATOM 574 C SER A 39 -8.517 4.725 -11.711 1.00 0.00 C ATOM 575 O SER A 39 -8.668 5.850 -12.185 1.00 0.00 O ATOM 576 CB SER A 39 -10.261 3.160 -12.589 1.00 0.00 C ATOM 577 OG SER A 39 -10.959 4.074 -13.416 1.00 0.00 O ATOM 0 H SER A 39 -8.581 1.512 -11.852 1.00 0.00 H new ATOM 0 HA SER A 39 -8.421 3.676 -13.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.412 2.145 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.666 3.197 -11.578 1.00 0.00 H new ATOM 0 HG SER A 39 -11.913 3.848 -13.421 1.00 0.00 H new ATOM 583 N ALA A 40 -8.137 4.514 -10.455 1.00 0.00 N ATOM 584 CA ALA A 40 -7.866 5.618 -9.543 1.00 0.00 C ATOM 585 C ALA A 40 -6.424 6.097 -9.674 1.00 0.00 C ATOM 586 O ALA A 40 -6.144 7.291 -9.558 1.00 0.00 O ATOM 587 CB ALA A 40 -8.158 5.202 -8.109 1.00 0.00 C ATOM 0 H ALA A 40 -8.010 3.588 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.522 6.447 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.951 6.036 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.206 4.916 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.526 4.355 -7.840 1.00 0.00 H new ATOM 593 N ILE A 41 -5.514 5.160 -9.915 1.00 0.00 N ATOM 594 CA ILE A 41 -4.101 5.487 -10.061 1.00 0.00 C ATOM 595 C ILE A 41 -3.878 6.453 -11.220 1.00 0.00 C ATOM 596 O ILE A 41 -3.423 7.579 -11.023 1.00 0.00 O ATOM 597 CB ILE A 41 -3.251 4.224 -10.290 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.494 3.209 -9.170 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.775 4.586 -10.372 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.701 1.932 -9.330 1.00 0.00 C ATOM 0 H ILE A 41 -5.730 4.168 -10.013 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.789 5.961 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.547 3.771 -11.236 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.240 3.667 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.556 2.966 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.187 3.682 -10.534 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.615 5.276 -11.200 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.464 5.059 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.923 1.260 -8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.972 1.451 -10.270 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.636 2.163 -9.334 1.00 0.00 H new ATOM 612 N GLU A 42 -4.203 6.004 -12.428 1.00 0.00 N ATOM 613 CA GLU A 42 -4.039 6.830 -13.619 1.00 0.00 C ATOM 614 C GLU A 42 -4.660 8.209 -13.414 1.00 0.00 C ATOM 615 O GLU A 42 -4.016 9.231 -13.648 1.00 0.00 O ATOM 616 CB GLU A 42 -4.675 6.147 -14.832 1.00 0.00 C ATOM 617 CG GLU A 42 -3.740 5.189 -15.550 1.00 0.00 C ATOM 618 CD GLU A 42 -2.814 5.895 -16.522 1.00 0.00 C ATOM 619 OE1 GLU A 42 -1.927 6.641 -16.059 1.00 0.00 O ATOM 620 OE2 GLU A 42 -2.978 5.701 -17.745 1.00 0.00 O ATOM 0 H GLU A 42 -4.581 5.074 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.971 6.954 -13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.562 5.602 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.009 6.910 -15.535 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.144 4.649 -14.814 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.330 4.448 -16.089 1.00 0.00 H new ATOM 627 N ASN A 43 -5.915 8.228 -12.978 1.00 0.00 N ATOM 628 CA ASN A 43 -6.624 9.480 -12.743 1.00 0.00 C ATOM 629 C ASN A 43 -5.701 10.517 -12.110 1.00 0.00 C ATOM 630 O ASN A 43 -5.769 11.704 -12.432 1.00 0.00 O ATOM 631 CB ASN A 43 -7.837 9.243 -11.841 1.00 0.00 C ATOM 632 CG ASN A 43 -9.040 8.736 -12.612 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.048 8.738 -13.843 1.00 0.00 O ATOM 634 ND2 ASN A 43 -10.065 8.300 -11.889 1.00 0.00 N ATOM 0 H ASN A 43 -6.462 7.390 -12.780 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.965 9.861 -13.706 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.575 8.522 -11.066 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.098 10.173 -11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.903 7.948 -12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.014 8.317 -10.870 1.00 0.00 H new ATOM 641 N LEU A 44 -4.838 10.062 -11.208 1.00 0.00 N ATOM 642 CA LEU A 44 -3.900 10.949 -10.530 1.00 0.00 C ATOM 643 C LEU A 44 -2.623 11.119 -11.347 1.00 0.00 C ATOM 644 O LEU A 44 -2.148 12.236 -11.550 1.00 0.00 O ATOM 645 CB LEU A 44 -3.562 10.402 -9.142 1.00 0.00 C ATOM 646 CG LEU A 44 -4.752 10.110 -8.228 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.393 9.038 -7.210 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.211 11.381 -7.527 1.00 0.00 C ATOM 0 H LEU A 44 -4.769 9.083 -10.929 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.374 11.925 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.990 9.482 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.911 11.118 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.574 9.740 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.252 8.843 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.113 8.122 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.556 9.380 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.059 11.154 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.394 11.781 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.510 12.119 -8.271 1.00 0.00 H new ATOM 660 N MET A 45 -2.074 10.003 -11.815 1.00 0.00 N ATOM 661 CA MET A 45 -0.853 10.029 -12.614 1.00 0.00 C ATOM 662 C MET A 45 -0.955 11.065 -13.728 1.00 0.00 C ATOM 663 O MET A 45 -0.040 11.863 -13.935 1.00 0.00 O ATOM 664 CB MET A 45 -0.579 8.647 -13.210 1.00 0.00 C ATOM 665 CG MET A 45 -0.231 7.595 -12.169 1.00 0.00 C ATOM 666 SD MET A 45 0.850 6.306 -12.820 1.00 0.00 S ATOM 667 CE MET A 45 2.275 6.489 -11.751 1.00 0.00 C ATOM 0 H MET A 45 -2.454 9.070 -11.655 1.00 0.00 H new ATOM 0 HA MET A 45 -0.026 10.305 -11.960 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.457 8.319 -13.766 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.240 8.724 -13.925 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.254 8.076 -11.320 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.149 7.140 -11.796 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.157 6.083 -12.247 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.434 7.545 -11.535 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.103 5.950 -10.819 1.00 0.00 H new ATOM 677 N THR A 46 -2.074 11.048 -14.446 1.00 0.00 N ATOM 678 CA THR A 46 -2.294 11.985 -15.541 1.00 0.00 C ATOM 679 C THR A 46 -2.591 13.385 -15.015 1.00 0.00 C ATOM 680 O THR A 46 -2.281 14.382 -15.667 1.00 0.00 O ATOM 681 CB THR A 46 -3.457 11.531 -16.443 1.00 0.00 C ATOM 682 OG1 THR A 46 -3.692 12.505 -17.466 1.00 0.00 O ATOM 683 CG2 THR A 46 -4.726 11.327 -15.629 1.00 0.00 C ATOM 0 H THR A 46 -2.842 10.395 -14.289 1.00 0.00 H new ATOM 0 HA THR A 46 -1.376 12.007 -16.128 1.00 0.00 H new ATOM 0 HB THR A 46 -3.182 10.581 -16.902 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.432 12.208 -18.036 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.533 11.007 -16.288 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.553 10.564 -14.870 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.003 12.264 -15.145 1.00 0.00 H new ATOM 691 N SER A 47 -3.192 13.453 -13.831 1.00 0.00 N ATOM 692 CA SER A 47 -3.533 14.732 -13.219 1.00 0.00 C ATOM 693 C SER A 47 -2.286 15.587 -13.017 1.00 0.00 C ATOM 694 O SER A 47 -2.221 16.728 -13.475 1.00 0.00 O ATOM 695 CB SER A 47 -4.234 14.508 -11.878 1.00 0.00 C ATOM 696 OG SER A 47 -5.639 14.419 -12.046 1.00 0.00 O ATOM 0 H SER A 47 -3.453 12.637 -13.277 1.00 0.00 H new ATOM 0 HA SER A 47 -4.209 15.260 -13.891 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.861 13.593 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.997 15.327 -11.199 1.00 0.00 H new ATOM 0 HG SER A 47 -5.891 13.485 -12.204 1.00 0.00 H new ATOM 702 N SER A 48 -1.297 15.027 -12.328 1.00 0.00 N ATOM 703 CA SER A 48 -0.052 15.738 -12.061 1.00 0.00 C ATOM 704 C SER A 48 1.137 14.997 -12.664 1.00 0.00 C ATOM 705 O SER A 48 0.986 13.915 -13.230 1.00 0.00 O ATOM 706 CB SER A 48 0.149 15.908 -10.554 1.00 0.00 C ATOM 707 OG SER A 48 -0.734 16.884 -10.028 1.00 0.00 O ATOM 0 H SER A 48 -1.334 14.083 -11.944 1.00 0.00 H new ATOM 0 HA SER A 48 -0.117 16.722 -12.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.017 14.955 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.180 16.199 -10.352 1.00 0.00 H new ATOM 0 HG SER A 48 -0.587 16.972 -9.063 1.00 0.00 H new ATOM 713 N SER A 49 2.321 15.589 -12.538 1.00 0.00 N ATOM 714 CA SER A 49 3.537 14.988 -13.074 1.00 0.00 C ATOM 715 C SER A 49 4.222 14.120 -12.023 1.00 0.00 C ATOM 716 O SER A 49 3.934 14.224 -10.831 1.00 0.00 O ATOM 717 CB SER A 49 4.497 16.076 -13.559 1.00 0.00 C ATOM 718 OG SER A 49 5.786 15.543 -13.810 1.00 0.00 O ATOM 0 H SER A 49 2.464 16.484 -12.070 1.00 0.00 H new ATOM 0 HA SER A 49 3.260 14.356 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.105 16.532 -14.468 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.566 16.865 -12.810 1.00 0.00 H new ATOM 0 HG SER A 49 6.381 16.257 -14.120 1.00 0.00 H new ATOM 724 N LYS A 50 5.130 13.262 -12.475 1.00 0.00 N ATOM 725 CA LYS A 50 5.859 12.375 -11.577 1.00 0.00 C ATOM 726 C LYS A 50 6.745 13.173 -10.625 1.00 0.00 C ATOM 727 O LYS A 50 7.172 12.665 -9.589 1.00 0.00 O ATOM 728 CB LYS A 50 6.712 11.390 -12.380 1.00 0.00 C ATOM 729 CG LYS A 50 7.704 10.613 -11.532 1.00 0.00 C ATOM 730 CD LYS A 50 7.959 9.227 -12.101 1.00 0.00 C ATOM 731 CE LYS A 50 8.902 8.426 -11.217 1.00 0.00 C ATOM 732 NZ LYS A 50 9.532 7.298 -11.957 1.00 0.00 N ATOM 0 H LYS A 50 5.379 13.162 -13.459 1.00 0.00 H new ATOM 0 HA LYS A 50 5.131 11.818 -10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.055 10.687 -12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.255 11.937 -13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.644 11.162 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.324 10.525 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.013 8.695 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.383 9.316 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.679 9.083 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.353 8.036 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.516 7.181 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.002 6.422 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.519 7.502 -12.977 1.00 0.00 H new ATOM 746 N GLU A 51 7.016 14.423 -10.985 1.00 0.00 N ATOM 747 CA GLU A 51 7.851 15.290 -10.161 1.00 0.00 C ATOM 748 C GLU A 51 7.006 16.061 -9.151 1.00 0.00 C ATOM 749 O GLU A 51 7.454 16.348 -8.041 1.00 0.00 O ATOM 750 CB GLU A 51 8.632 16.269 -11.041 1.00 0.00 C ATOM 751 CG GLU A 51 7.794 17.427 -11.555 1.00 0.00 C ATOM 752 CD GLU A 51 8.548 18.300 -12.539 1.00 0.00 C ATOM 753 OE1 GLU A 51 9.189 17.746 -13.456 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.495 19.540 -12.392 1.00 0.00 O ATOM 0 H GLU A 51 6.670 14.858 -11.840 1.00 0.00 H new ATOM 0 HA GLU A 51 8.554 14.661 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.473 16.665 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.049 15.728 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.897 17.036 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.466 18.035 -10.712 1.00 0.00 H new ATOM 761 N ASP A 52 5.781 16.392 -9.545 1.00 0.00 N ATOM 762 CA ASP A 52 4.872 17.129 -8.675 1.00 0.00 C ATOM 763 C ASP A 52 4.616 16.362 -7.381 1.00 0.00 C ATOM 764 O ASP A 52 4.395 16.959 -6.328 1.00 0.00 O ATOM 765 CB ASP A 52 3.548 17.396 -9.394 1.00 0.00 C ATOM 766 CG ASP A 52 2.616 18.274 -8.583 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.174 17.831 -7.502 1.00 0.00 O ATOM 768 OD2 ASP A 52 2.328 19.404 -9.028 1.00 0.00 O ATOM 0 H ASP A 52 5.395 16.162 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 52 5.340 18.081 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.749 17.873 -10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.055 16.447 -9.606 1.00 0.00 H new ATOM 773 N TRP A 53 4.647 15.037 -7.470 1.00 0.00 N ATOM 774 CA TRP A 53 4.417 14.188 -6.306 1.00 0.00 C ATOM 775 C TRP A 53 5.555 14.324 -5.300 1.00 0.00 C ATOM 776 O TRP A 53 6.687 13.907 -5.548 1.00 0.00 O ATOM 777 CB TRP A 53 4.271 12.727 -6.736 1.00 0.00 C ATOM 778 CG TRP A 53 3.506 12.558 -8.013 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.486 13.344 -8.468 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.699 11.537 -8.998 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.033 12.873 -9.677 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.761 11.766 -10.024 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.573 10.453 -9.115 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.675 10.949 -11.149 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.486 9.644 -10.231 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.543 9.896 -11.237 1.00 0.00 C ATOM 0 H TRP A 53 4.829 14.528 -8.335 1.00 0.00 H new ATOM 0 HA TRP A 53 3.493 14.512 -5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.262 12.290 -6.854 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.769 12.171 -5.944 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.093 14.208 -7.953 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.277 13.282 -10.227 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.304 10.251 -8.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.948 11.141 -11.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.156 8.803 -10.330 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.501 9.246 -12.098 1.00 0.00 H new ATOM 797 N PRO A 54 5.251 14.920 -4.138 1.00 0.00 N ATOM 798 CA PRO A 54 6.236 15.123 -3.071 1.00 0.00 C ATOM 799 C PRO A 54 6.647 13.815 -2.405 1.00 0.00 C ATOM 800 O PRO A 54 5.857 12.875 -2.320 1.00 0.00 O ATOM 801 CB PRO A 54 5.499 16.022 -2.075 1.00 0.00 C ATOM 802 CG PRO A 54 4.055 15.741 -2.308 1.00 0.00 C ATOM 803 CD PRO A 54 3.922 15.441 -3.775 1.00 0.00 C ATOM 0 HA PRO A 54 7.164 15.553 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.786 15.794 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.730 17.074 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.720 14.897 -1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.441 16.597 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.137 14.709 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.671 16.334 -4.347 1.00 0.00 H new ATOM 811 N SER A 55 7.889 13.761 -1.933 1.00 0.00 N ATOM 812 CA SER A 55 8.406 12.566 -1.277 1.00 0.00 C ATOM 813 C SER A 55 8.064 12.571 0.210 1.00 0.00 C ATOM 814 O SER A 55 8.486 13.457 0.952 1.00 0.00 O ATOM 815 CB SER A 55 9.922 12.472 -1.464 1.00 0.00 C ATOM 816 OG SER A 55 10.574 13.603 -0.913 1.00 0.00 O ATOM 0 H SER A 55 8.555 14.531 -1.993 1.00 0.00 H new ATOM 0 HA SER A 55 7.936 11.697 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.295 11.565 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.157 12.394 -2.526 1.00 0.00 H new ATOM 0 HG SER A 55 10.075 13.920 -0.131 1.00 0.00 H new ATOM 822 N VAL A 56 7.296 11.574 0.638 1.00 0.00 N ATOM 823 CA VAL A 56 6.898 11.462 2.035 1.00 0.00 C ATOM 824 C VAL A 56 7.284 10.103 2.610 1.00 0.00 C ATOM 825 O VAL A 56 7.684 9.199 1.877 1.00 0.00 O ATOM 826 CB VAL A 56 5.380 11.665 2.204 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.963 13.031 1.679 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.613 10.557 1.500 1.00 0.00 C ATOM 0 H VAL A 56 6.937 10.832 0.037 1.00 0.00 H new ATOM 0 HA VAL A 56 7.426 12.246 2.578 1.00 0.00 H new ATOM 0 HB VAL A 56 5.141 11.622 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.888 13.157 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.488 13.809 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.214 13.106 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.543 10.716 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.855 10.566 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.891 9.594 1.928 1.00 0.00 H new ATOM 838 N ASN A 57 7.162 9.967 3.926 1.00 0.00 N ATOM 839 CA ASN A 57 7.498 8.718 4.600 1.00 0.00 C ATOM 840 C ASN A 57 6.246 7.888 4.864 1.00 0.00 C ATOM 841 O ASN A 57 5.283 8.371 5.460 1.00 0.00 O ATOM 842 CB ASN A 57 8.222 9.004 5.917 1.00 0.00 C ATOM 843 CG ASN A 57 9.213 10.145 5.797 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.772 10.386 4.726 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.436 10.854 6.897 1.00 0.00 N ATOM 0 H ASN A 57 6.833 10.706 4.547 1.00 0.00 H new ATOM 0 HA ASN A 57 8.158 8.148 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.488 9.243 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.745 8.105 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.093 11.634 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.950 10.619 7.763 1.00 0.00 H new ATOM 852 N MET A 58 6.267 6.636 4.417 1.00 0.00 N ATOM 853 CA MET A 58 5.134 5.738 4.607 1.00 0.00 C ATOM 854 C MET A 58 5.349 4.841 5.822 1.00 0.00 C ATOM 855 O MET A 58 6.035 3.823 5.740 1.00 0.00 O ATOM 856 CB MET A 58 4.920 4.882 3.358 1.00 0.00 C ATOM 857 CG MET A 58 3.695 3.985 3.439 1.00 0.00 C ATOM 858 SD MET A 58 3.321 3.177 1.871 1.00 0.00 S ATOM 859 CE MET A 58 2.730 4.566 0.906 1.00 0.00 C ATOM 0 H MET A 58 7.056 6.221 3.921 1.00 0.00 H new ATOM 0 HA MET A 58 4.245 6.345 4.779 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.825 5.536 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.803 4.264 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.855 3.226 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.835 4.578 3.752 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.220 4.568 -0.067 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.652 4.481 0.769 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.958 5.495 1.429 1.00 0.00 H new ATOM 869 N ASN A 59 4.758 5.227 6.949 1.00 0.00 N ATOM 870 CA ASN A 59 4.887 4.457 8.181 1.00 0.00 C ATOM 871 C ASN A 59 3.896 3.298 8.204 1.00 0.00 C ATOM 872 O ASN A 59 2.691 3.499 8.363 1.00 0.00 O ATOM 873 CB ASN A 59 4.661 5.359 9.396 1.00 0.00 C ATOM 874 CG ASN A 59 5.700 6.460 9.500 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.564 6.432 10.376 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.619 7.436 8.603 1.00 0.00 N ATOM 0 H ASN A 59 4.186 6.067 7.034 1.00 0.00 H new ATOM 0 HA ASN A 59 5.897 4.049 8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.668 5.805 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.684 4.755 10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.290 8.204 8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.886 7.418 7.894 1.00 0.00 H new ATOM 883 N VAL A 60 4.411 2.083 8.045 1.00 0.00 N ATOM 884 CA VAL A 60 3.572 0.890 8.048 1.00 0.00 C ATOM 885 C VAL A 60 3.760 0.090 9.333 1.00 0.00 C ATOM 886 O VAL A 60 4.711 -0.679 9.463 1.00 0.00 O ATOM 887 CB VAL A 60 3.880 -0.017 6.842 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.040 -1.283 6.898 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.645 0.732 5.539 1.00 0.00 C ATOM 0 H VAL A 60 5.405 1.899 7.912 1.00 0.00 H new ATOM 0 HA VAL A 60 2.538 1.230 7.982 1.00 0.00 H new ATOM 0 HB VAL A 60 4.930 -0.305 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.271 -1.911 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.263 -1.827 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.983 -1.019 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.867 0.076 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.604 1.051 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.295 1.606 5.500 1.00 0.00 H new ATOM 899 N ALA A 61 2.846 0.278 10.279 1.00 0.00 N ATOM 900 CA ALA A 61 2.909 -0.428 11.553 1.00 0.00 C ATOM 901 C ALA A 61 2.475 -1.882 11.397 1.00 0.00 C ATOM 902 O ALA A 61 2.162 -2.331 10.295 1.00 0.00 O ATOM 903 CB ALA A 61 2.044 0.274 12.589 1.00 0.00 C ATOM 0 H ALA A 61 2.053 0.913 10.187 1.00 0.00 H new ATOM 0 HA ALA A 61 3.944 -0.419 11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.101 -0.264 13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.401 1.294 12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.010 0.296 12.245 1.00 0.00 H new ATOM 909 N ASP A 62 2.461 -2.612 12.507 1.00 0.00 N ATOM 910 CA ASP A 62 2.066 -4.016 12.493 1.00 0.00 C ATOM 911 C ASP A 62 0.749 -4.202 11.746 1.00 0.00 C ATOM 912 O ASP A 62 0.682 -4.935 10.759 1.00 0.00 O ATOM 913 CB ASP A 62 1.934 -4.544 13.922 1.00 0.00 C ATOM 914 CG ASP A 62 1.047 -5.771 14.007 1.00 0.00 C ATOM 915 OD1 ASP A 62 1.090 -6.600 13.073 1.00 0.00 O ATOM 916 OD2 ASP A 62 0.311 -5.902 15.006 1.00 0.00 O ATOM 0 H ASP A 62 2.718 -2.255 13.427 1.00 0.00 H new ATOM 0 HA ASP A 62 2.841 -4.581 11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.924 -4.787 14.309 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.526 -3.760 14.560 1.00 0.00 H new ATOM 921 N ALA A 63 -0.296 -3.534 12.223 1.00 0.00 N ATOM 922 CA ALA A 63 -1.611 -3.626 11.600 1.00 0.00 C ATOM 923 C ALA A 63 -2.173 -2.240 11.299 1.00 0.00 C ATOM 924 O ALA A 63 -3.365 -1.989 11.481 1.00 0.00 O ATOM 925 CB ALA A 63 -2.566 -4.402 12.494 1.00 0.00 C ATOM 0 H ALA A 63 -0.258 -2.923 13.039 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.502 -4.159 10.655 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.544 -4.463 12.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.178 -5.408 12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.662 -3.893 13.453 1.00 0.00 H new ATOM 931 N THR A 64 -1.307 -1.343 10.837 1.00 0.00 N ATOM 932 CA THR A 64 -1.717 0.017 10.512 1.00 0.00 C ATOM 933 C THR A 64 -0.735 0.672 9.548 1.00 0.00 C ATOM 934 O THR A 64 0.460 0.374 9.565 1.00 0.00 O ATOM 935 CB THR A 64 -1.832 0.887 11.778 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.943 0.453 12.571 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.005 2.353 11.414 1.00 0.00 C ATOM 0 H THR A 64 -0.318 -1.534 10.680 1.00 0.00 H new ATOM 0 HA THR A 64 -2.696 -0.053 10.038 1.00 0.00 H new ATOM 0 HB THR A 64 -0.911 0.778 12.351 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.300 -0.383 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.084 2.947 12.324 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.144 2.688 10.835 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.911 2.476 10.821 1.00 0.00 H new ATOM 945 N VAL A 65 -1.245 1.566 8.707 1.00 0.00 N ATOM 946 CA VAL A 65 -0.411 2.265 7.736 1.00 0.00 C ATOM 947 C VAL A 65 -0.660 3.768 7.779 1.00 0.00 C ATOM 948 O VAL A 65 -1.658 4.260 7.251 1.00 0.00 O ATOM 949 CB VAL A 65 -0.668 1.754 6.306 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.146 2.553 5.299 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.348 0.271 6.205 1.00 0.00 C ATOM 0 H VAL A 65 -2.232 1.823 8.678 1.00 0.00 H new ATOM 0 HA VAL A 65 0.626 2.064 8.005 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.724 1.891 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.048 2.178 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.137 3.604 5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.207 2.450 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.535 -0.073 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.700 0.107 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.979 -0.285 6.898 1.00 0.00 H new ATOM 961 N THR A 66 0.256 4.496 8.412 1.00 0.00 N ATOM 962 CA THR A 66 0.136 5.944 8.526 1.00 0.00 C ATOM 963 C THR A 66 1.099 6.651 7.579 1.00 0.00 C ATOM 964 O THR A 66 2.179 6.141 7.280 1.00 0.00 O ATOM 965 CB THR A 66 0.409 6.419 9.965 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.437 5.715 10.882 1.00 0.00 O ATOM 967 CG2 THR A 66 0.170 7.916 10.096 1.00 0.00 C ATOM 0 H THR A 66 1.089 4.106 8.853 1.00 0.00 H new ATOM 0 HA THR A 66 -0.889 6.198 8.256 1.00 0.00 H new ATOM 0 HB THR A 66 1.453 6.211 10.200 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.256 6.021 11.795 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.369 8.228 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.835 8.451 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.866 8.143 9.843 1.00 0.00 H new ATOM 975 N VAL A 67 0.702 7.829 7.109 1.00 0.00 N ATOM 976 CA VAL A 67 1.531 8.608 6.197 1.00 0.00 C ATOM 977 C VAL A 67 2.049 9.874 6.870 1.00 0.00 C ATOM 978 O VAL A 67 1.277 10.773 7.202 1.00 0.00 O ATOM 979 CB VAL A 67 0.753 8.997 4.925 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.592 9.912 4.046 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.326 7.754 4.161 1.00 0.00 C ATOM 0 H VAL A 67 -0.189 8.265 7.345 1.00 0.00 H new ATOM 0 HA VAL A 67 2.375 7.977 5.919 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.145 9.540 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.027 10.177 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.843 10.818 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.509 9.398 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.222 8.048 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.208 7.182 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.315 7.140 4.794 1.00 0.00 H new ATOM 991 N ILE A 68 3.362 9.937 7.067 1.00 0.00 N ATOM 992 CA ILE A 68 3.984 11.094 7.699 1.00 0.00 C ATOM 993 C ILE A 68 4.887 11.835 6.720 1.00 0.00 C ATOM 994 O ILE A 68 5.457 11.236 5.808 1.00 0.00 O ATOM 995 CB ILE A 68 4.810 10.684 8.933 1.00 0.00 C ATOM 996 CG1 ILE A 68 3.913 10.013 9.974 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.507 11.898 9.530 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.681 9.335 11.087 1.00 0.00 C ATOM 0 H ILE A 68 4.015 9.201 6.798 1.00 0.00 H new ATOM 0 HA ILE A 68 3.176 11.754 8.015 1.00 0.00 H new ATOM 0 HB ILE A 68 5.571 9.968 8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.249 10.762 10.406 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.282 9.276 9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.087 11.593 10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.173 12.337 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.762 12.634 9.830 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.981 8.881 11.788 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.325 8.563 10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.291 10.072 11.609 1.00 0.00 H new ATOM 1010 N SER A 69 5.015 13.144 6.916 1.00 0.00 N ATOM 1011 CA SER A 69 5.848 13.969 6.049 1.00 0.00 C ATOM 1012 C SER A 69 7.279 13.442 6.008 1.00 0.00 C ATOM 1013 O SER A 69 7.630 12.514 6.736 1.00 0.00 O ATOM 1014 CB SER A 69 5.841 15.421 6.530 1.00 0.00 C ATOM 1015 OG SER A 69 6.337 16.293 5.530 1.00 0.00 O ATOM 0 H SER A 69 4.552 13.656 7.668 1.00 0.00 H new ATOM 0 HA SER A 69 5.434 13.926 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.826 15.713 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.449 15.512 7.430 1.00 0.00 H new ATOM 0 HG SER A 69 6.320 17.215 5.862 1.00 0.00 H new ATOM 1021 N GLU A 70 8.100 14.041 5.151 1.00 0.00 N ATOM 1022 CA GLU A 70 9.492 13.631 5.014 1.00 0.00 C ATOM 1023 C GLU A 70 10.327 14.144 6.184 1.00 0.00 C ATOM 1024 O GLU A 70 11.169 13.426 6.723 1.00 0.00 O ATOM 1025 CB GLU A 70 10.072 14.147 3.695 1.00 0.00 C ATOM 1026 CG GLU A 70 11.403 13.514 3.327 1.00 0.00 C ATOM 1027 CD GLU A 70 12.206 14.364 2.362 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.063 15.604 2.402 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.979 13.789 1.566 1.00 0.00 O ATOM 0 H GLU A 70 7.825 14.811 4.542 1.00 0.00 H new ATOM 0 HA GLU A 70 9.525 12.542 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.356 13.959 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.199 15.228 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.986 13.350 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.225 12.535 2.882 1.00 0.00 H new ATOM 1036 N LYS A 71 10.089 15.393 6.571 1.00 0.00 N ATOM 1037 CA LYS A 71 10.817 16.004 7.677 1.00 0.00 C ATOM 1038 C LYS A 71 9.994 15.959 8.961 1.00 0.00 C ATOM 1039 O LYS A 71 10.465 15.486 9.994 1.00 0.00 O ATOM 1040 CB LYS A 71 11.176 17.453 7.339 1.00 0.00 C ATOM 1041 CG LYS A 71 9.972 18.314 6.999 1.00 0.00 C ATOM 1042 CD LYS A 71 10.392 19.670 6.458 1.00 0.00 C ATOM 1043 CE LYS A 71 10.914 20.575 7.564 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.826 21.011 8.482 1.00 0.00 N ATOM 0 H LYS A 71 9.397 16.002 6.135 1.00 0.00 H new ATOM 0 HA LYS A 71 11.734 15.436 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.701 17.895 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.867 17.460 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.354 17.802 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.358 18.451 7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.164 19.537 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.543 20.146 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.680 20.049 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.390 21.451 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.179 21.018 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.513 21.968 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.025 20.352 8.408 1.00 0.00 H new ATOM 1058 N ASN A 72 8.762 16.453 8.887 1.00 0.00 N ATOM 1059 CA ASN A 72 7.874 16.468 10.043 1.00 0.00 C ATOM 1060 C ASN A 72 7.553 15.049 10.501 1.00 0.00 C ATOM 1061 O ASN A 72 7.422 14.138 9.684 1.00 0.00 O ATOM 1062 CB ASN A 72 6.581 17.214 9.709 1.00 0.00 C ATOM 1063 CG ASN A 72 6.694 18.706 9.953 1.00 0.00 C ATOM 1064 OD1 ASN A 72 7.453 19.401 9.277 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.938 19.206 10.923 1.00 0.00 N ATOM 0 H ASN A 72 8.356 16.848 8.039 1.00 0.00 H new ATOM 0 HA ASN A 72 8.384 16.985 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.323 17.038 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.767 16.811 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.972 20.204 11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.323 18.593 11.458 1.00 0.00 H new ATOM 1072 N GLU A 73 7.427 14.870 11.812 1.00 0.00 N ATOM 1073 CA GLU A 73 7.121 13.561 12.378 1.00 0.00 C ATOM 1074 C GLU A 73 5.666 13.492 12.834 1.00 0.00 C ATOM 1075 O GLU A 73 5.029 12.442 12.753 1.00 0.00 O ATOM 1076 CB GLU A 73 8.051 13.259 13.555 1.00 0.00 C ATOM 1077 CG GLU A 73 9.518 13.184 13.168 1.00 0.00 C ATOM 1078 CD GLU A 73 10.377 12.564 14.253 1.00 0.00 C ATOM 1079 OE1 GLU A 73 10.506 11.322 14.268 1.00 0.00 O ATOM 1080 OE2 GLU A 73 10.919 13.320 15.086 1.00 0.00 O ATOM 0 H GLU A 73 7.532 15.614 12.502 1.00 0.00 H new ATOM 0 HA GLU A 73 7.276 12.813 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.923 14.030 14.315 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.755 12.313 14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.619 12.601 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.884 14.187 12.949 1.00 0.00 H new ATOM 1087 N GLU A 74 5.148 14.619 13.313 1.00 0.00 N ATOM 1088 CA GLU A 74 3.770 14.685 13.783 1.00 0.00 C ATOM 1089 C GLU A 74 2.822 15.047 12.643 1.00 0.00 C ATOM 1090 O GLU A 74 1.604 14.935 12.775 1.00 0.00 O ATOM 1091 CB GLU A 74 3.641 15.711 14.912 1.00 0.00 C ATOM 1092 CG GLU A 74 3.992 17.128 14.489 1.00 0.00 C ATOM 1093 CD GLU A 74 3.373 18.176 15.393 1.00 0.00 C ATOM 1094 OE1 GLU A 74 3.906 18.391 16.502 1.00 0.00 O ATOM 1095 OE2 GLU A 74 2.358 18.782 14.993 1.00 0.00 O ATOM 0 H GLU A 74 5.662 15.497 13.385 1.00 0.00 H new ATOM 0 HA GLU A 74 3.496 13.701 14.162 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.619 15.696 15.290 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.290 15.415 15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.076 17.246 14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.655 17.292 13.465 1.00 0.00 H new ATOM 1102 N GLU A 75 3.393 15.481 11.523 1.00 0.00 N ATOM 1103 CA GLU A 75 2.599 15.860 10.360 1.00 0.00 C ATOM 1104 C GLU A 75 2.031 14.626 9.663 1.00 0.00 C ATOM 1105 O GLU A 75 2.677 14.035 8.798 1.00 0.00 O ATOM 1106 CB GLU A 75 3.448 16.668 9.377 1.00 0.00 C ATOM 1107 CG GLU A 75 2.732 16.990 8.076 1.00 0.00 C ATOM 1108 CD GLU A 75 1.373 17.624 8.299 1.00 0.00 C ATOM 1109 OE1 GLU A 75 1.310 18.674 8.972 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.371 17.069 7.801 1.00 0.00 O ATOM 0 H GLU A 75 4.400 15.579 11.397 1.00 0.00 H new ATOM 0 HA GLU A 75 1.769 16.476 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.753 17.599 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.358 16.111 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.350 17.664 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.611 16.075 7.496 1.00 0.00 H new ATOM 1117 N VAL A 76 0.818 14.243 10.048 1.00 0.00 N ATOM 1118 CA VAL A 76 0.161 13.081 9.461 1.00 0.00 C ATOM 1119 C VAL A 76 -0.701 13.480 8.269 1.00 0.00 C ATOM 1120 O VAL A 76 -1.650 14.253 8.406 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.717 12.351 10.494 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.805 13.276 11.019 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.322 11.095 9.886 1.00 0.00 C ATOM 0 H VAL A 76 0.270 14.720 10.764 1.00 0.00 H new ATOM 0 HA VAL A 76 0.950 12.408 9.126 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.089 12.054 11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.415 12.743 11.748 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.347 14.143 11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.433 13.605 10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.939 10.592 10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.937 11.366 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.524 10.426 9.564 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.365 12.949 7.099 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.109 13.249 5.880 1.00 0.00 C ATOM 1135 C LEU A 77 -2.326 12.339 5.747 1.00 0.00 C ATOM 1136 O LEU A 77 -3.431 12.801 5.459 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.206 13.093 4.656 1.00 0.00 C ATOM 1138 CG LEU A 77 1.092 13.901 4.672 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.098 13.315 3.694 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.815 15.361 4.344 1.00 0.00 C ATOM 0 H LEU A 77 0.418 12.308 6.968 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.454 14.281 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.047 12.038 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.776 13.376 3.771 1.00 0.00 H new ATOM 0 HG LEU A 77 1.518 13.848 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.015 13.903 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.320 12.285 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.681 13.336 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.750 15.921 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.366 15.432 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.130 15.777 5.084 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.117 11.044 5.962 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.198 10.070 5.870 1.00 0.00 C ATOM 1154 C VAL A 78 -3.034 8.968 6.910 1.00 0.00 C ATOM 1155 O VAL A 78 -1.926 8.491 7.154 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.261 9.433 4.469 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.332 8.353 4.421 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.517 10.497 3.412 1.00 0.00 C ATOM 0 H VAL A 78 -1.209 10.645 6.201 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.127 10.608 6.059 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.299 8.966 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.362 7.914 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.100 7.578 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.302 8.792 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.559 10.030 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.465 10.994 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.711 11.231 3.432 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.145 8.567 7.520 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.124 7.520 8.535 1.00 0.00 C ATOM 1170 C GLU A 79 -4.999 6.341 8.119 1.00 0.00 C ATOM 1171 O GLU A 79 -6.208 6.338 8.356 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.600 8.073 9.880 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.039 7.326 11.078 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.159 8.116 12.367 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.284 8.545 12.698 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.127 8.304 13.045 1.00 0.00 O ATOM 0 H GLU A 79 -5.070 8.951 7.329 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.097 7.170 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.317 9.123 9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.689 8.033 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.564 6.377 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.990 7.091 10.896 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.381 5.344 7.498 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.103 4.159 7.047 1.00 0.00 C ATOM 1185 C CYS A 80 -4.824 2.971 7.962 1.00 0.00 C ATOM 1186 O CYS A 80 -3.715 2.816 8.474 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.711 3.813 5.610 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.590 2.389 4.927 1.00 0.00 S ATOM 0 H CYS A 80 -3.382 5.332 7.295 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.170 4.379 7.082 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.897 4.680 4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.640 3.616 5.575 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.203 2.186 3.703 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.839 2.137 8.166 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.704 0.965 9.022 1.00 0.00 C ATOM 1196 C ARG A 81 -6.026 -0.312 8.251 1.00 0.00 C ATOM 1197 O ARG A 81 -7.051 -0.399 7.575 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.626 1.086 10.238 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.008 1.851 11.397 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.893 1.801 12.632 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.606 0.637 13.465 1.00 0.00 N ATOM 1202 CZ ARG A 81 -5.609 0.588 14.341 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -4.809 1.634 14.499 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.411 -0.507 15.063 1.00 0.00 N ATOM 0 H ARG A 81 -6.763 2.252 7.750 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.670 0.912 9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.548 1.583 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.899 0.087 10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.030 1.431 11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.847 2.889 11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.750 2.709 13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.939 1.779 12.327 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.204 -0.184 13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.959 2.479 13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.044 1.594 15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.025 -1.313 14.946 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.645 -0.543 15.735 1.00 0.00 H new ATOM 1218 N VAL A 82 -5.144 -1.300 8.358 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.334 -2.572 7.672 1.00 0.00 C ATOM 1220 C VAL A 82 -6.780 -3.043 7.778 1.00 0.00 C ATOM 1221 O VAL A 82 -7.441 -3.284 6.767 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.408 -3.662 8.243 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.635 -4.985 7.528 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.952 -3.233 8.138 1.00 0.00 C ATOM 0 H VAL A 82 -4.290 -1.244 8.914 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.084 -2.406 6.624 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.647 -3.801 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.972 -5.743 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.671 -5.297 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.425 -4.865 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.312 -4.015 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.697 -3.064 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.803 -2.312 8.701 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.267 -3.170 9.008 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.635 -3.613 9.246 1.00 0.00 C ATOM 1236 C ARG A 83 -9.588 -3.012 8.217 1.00 0.00 C ATOM 1237 O ARG A 83 -10.344 -3.730 7.562 1.00 0.00 O ATOM 1238 CB ARG A 83 -9.081 -3.224 10.657 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.316 -3.942 11.757 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.643 -5.427 11.785 1.00 0.00 C ATOM 1241 NE ARG A 83 -10.029 -5.675 12.175 1.00 0.00 N ATOM 1242 CZ ARG A 83 -10.482 -5.519 13.414 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -9.664 -5.118 14.377 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -11.756 -5.765 13.691 1.00 0.00 N ATOM 0 H ARG A 83 -6.734 -2.972 9.855 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.661 -4.698 9.150 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.959 -2.148 10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.144 -3.439 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.245 -3.807 11.605 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.560 -3.496 12.722 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.461 -5.857 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.974 -5.932 12.482 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.684 -5.985 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.684 -4.928 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.015 -4.999 15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.388 -6.074 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.103 -5.645 14.642 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.546 -1.691 8.080 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.407 -0.993 7.132 1.00 0.00 C ATOM 1260 C PHE A 84 -10.050 -1.367 5.696 1.00 0.00 C ATOM 1261 O PHE A 84 -10.918 -1.431 4.825 1.00 0.00 O ATOM 1262 CB PHE A 84 -10.288 0.521 7.321 1.00 0.00 C ATOM 1263 CG PHE A 84 -11.150 1.056 8.428 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -12.523 1.157 8.268 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -10.588 1.458 9.629 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -13.318 1.650 9.285 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -11.379 1.951 10.650 1.00 0.00 C ATOM 1268 CZ PHE A 84 -12.746 2.046 10.478 1.00 0.00 C ATOM 0 H PHE A 84 -8.925 -1.082 8.613 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.436 -1.296 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.248 0.773 7.527 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.557 1.018 6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.977 0.847 7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.520 1.385 9.769 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.386 1.726 9.147 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.928 2.262 11.581 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.366 2.429 11.275 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.766 -1.612 5.457 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.292 -1.980 4.127 1.00 0.00 C ATOM 1280 C LEU A 85 -9.246 -2.967 3.463 1.00 0.00 C ATOM 1281 O LEU A 85 -9.481 -4.060 3.977 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.890 -2.587 4.214 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.989 -2.369 2.998 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.533 -2.618 3.362 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.415 -3.271 1.849 1.00 0.00 C ATOM 0 H LEU A 85 -8.035 -1.563 6.166 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.253 -1.076 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.390 -2.174 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.990 -3.660 4.380 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.090 -1.333 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.906 -2.458 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.233 -1.930 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.415 -3.644 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.762 -3.102 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.344 -4.314 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.444 -3.045 1.571 1.00 0.00 H new ATOM 1297 N SER A 86 -9.791 -2.575 2.315 1.00 0.00 N ATOM 1298 CA SER A 86 -10.720 -3.425 1.581 1.00 0.00 C ATOM 1299 C SER A 86 -9.987 -4.245 0.524 1.00 0.00 C ATOM 1300 O SER A 86 -10.145 -5.464 0.447 1.00 0.00 O ATOM 1301 CB SER A 86 -11.808 -2.575 0.920 1.00 0.00 C ATOM 1302 OG SER A 86 -12.728 -3.386 0.211 1.00 0.00 O ATOM 0 H SER A 86 -9.605 -1.674 1.874 1.00 0.00 H new ATOM 0 HA SER A 86 -11.185 -4.111 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.336 -2.000 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.350 -1.858 0.239 1.00 0.00 H new ATOM 0 HG SER A 86 -12.460 -3.438 -0.730 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.184 -3.567 -0.290 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.427 -4.232 -1.344 1.00 0.00 C ATOM 1310 C PHE A 87 -7.123 -3.491 -1.626 1.00 0.00 C ATOM 1311 O PHE A 87 -7.120 -2.280 -1.844 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.262 -4.322 -2.623 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.571 -5.050 -3.740 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.246 -6.391 -3.614 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.247 -4.394 -4.916 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.611 -7.065 -4.641 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.612 -5.062 -5.946 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.292 -6.398 -5.808 1.00 0.00 C ATOM 0 H PHE A 87 -9.041 -2.558 -0.240 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.187 -5.239 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.202 -4.826 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.511 -3.315 -2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.492 -6.916 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.493 -3.349 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.365 -8.111 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.366 -4.539 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.793 -6.921 -6.611 1.00 0.00 H new ATOM 1328 N MET A 88 -6.017 -4.228 -1.620 1.00 0.00 N ATOM 1329 CA MET A 88 -4.707 -3.642 -1.876 1.00 0.00 C ATOM 1330 C MET A 88 -4.024 -4.329 -3.055 1.00 0.00 C ATOM 1331 O MET A 88 -4.087 -5.549 -3.195 1.00 0.00 O ATOM 1332 CB MET A 88 -3.825 -3.746 -0.630 1.00 0.00 C ATOM 1333 CG MET A 88 -3.276 -5.143 -0.390 1.00 0.00 C ATOM 1334 SD MET A 88 -2.143 -5.213 1.011 1.00 0.00 S ATOM 1335 CE MET A 88 -3.185 -5.977 2.252 1.00 0.00 C ATOM 0 H MET A 88 -6.002 -5.232 -1.441 1.00 0.00 H new ATOM 0 HA MET A 88 -4.850 -2.590 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.993 -3.049 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.403 -3.437 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.104 -5.830 -0.217 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.760 -5.485 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.853 -5.672 3.244 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.218 -5.663 2.103 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.119 -7.062 2.165 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.373 -3.536 -3.901 1.00 0.00 N ATOM 1346 CA GLY A 89 -2.690 -4.086 -5.056 1.00 0.00 C ATOM 1347 C GLY A 89 -1.737 -3.093 -5.693 1.00 0.00 C ATOM 1348 O GLY A 89 -1.401 -2.072 -5.094 1.00 0.00 O ATOM 0 H GLY A 89 -3.307 -2.523 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.136 -4.976 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.427 -4.402 -5.794 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.298 -3.395 -6.911 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.378 -2.522 -7.630 1.00 0.00 C ATOM 1354 C VAL A 90 -0.888 -2.222 -9.035 1.00 0.00 C ATOM 1355 O VAL A 90 -1.504 -3.072 -9.677 1.00 0.00 O ATOM 1356 CB VAL A 90 1.027 -3.146 -7.727 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.906 -2.338 -8.669 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.661 -3.248 -6.348 1.00 0.00 C ATOM 0 H VAL A 90 -1.565 -4.238 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.316 -1.592 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 90 0.931 -4.153 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.895 -2.794 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.457 -2.322 -9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.997 -1.318 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.653 -3.691 -6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.745 -2.253 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.040 -3.874 -5.707 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.625 -1.008 -9.508 1.00 0.00 N ATOM 1369 CA GLY A 91 -1.065 -0.617 -10.835 1.00 0.00 C ATOM 1370 C GLY A 91 -0.296 -1.327 -11.932 1.00 0.00 C ATOM 1371 O GLY A 91 0.400 -2.310 -11.677 1.00 0.00 O ATOM 0 H GLY A 91 -0.115 -0.288 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.128 -0.834 -10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.947 0.460 -10.951 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.422 -0.829 -13.157 1.00 0.00 N ATOM 1376 CA LYS A 92 0.266 -1.421 -14.299 1.00 0.00 C ATOM 1377 C LYS A 92 1.749 -1.615 -14.000 1.00 0.00 C ATOM 1378 O LYS A 92 2.311 -2.677 -14.266 1.00 0.00 O ATOM 1379 CB LYS A 92 0.095 -0.538 -15.537 1.00 0.00 C ATOM 1380 CG LYS A 92 -1.230 -0.740 -16.251 1.00 0.00 C ATOM 1381 CD LYS A 92 -1.109 -1.756 -17.375 1.00 0.00 C ATOM 1382 CE LYS A 92 -1.387 -3.168 -16.883 1.00 0.00 C ATOM 1383 NZ LYS A 92 -2.761 -3.301 -16.326 1.00 0.00 N ATOM 0 H LYS A 92 -0.995 -0.016 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.178 -2.397 -14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.183 0.508 -15.242 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.908 -0.742 -16.234 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.982 -1.075 -15.536 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.575 0.212 -16.655 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.808 -1.503 -18.172 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.108 -1.709 -17.803 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.259 -3.871 -17.706 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.658 -3.436 -16.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.069 -4.292 -16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.761 -3.007 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.414 -2.697 -16.865 1.00 0.00 H new ATOM 1397 N ASP A 93 2.375 -0.584 -13.444 1.00 0.00 N ATOM 1398 CA ASP A 93 3.793 -0.643 -13.106 1.00 0.00 C ATOM 1399 C ASP A 93 3.988 -1.068 -11.654 1.00 0.00 C ATOM 1400 O ASP A 93 3.458 -0.442 -10.736 1.00 0.00 O ATOM 1401 CB ASP A 93 4.452 0.716 -13.346 1.00 0.00 C ATOM 1402 CG ASP A 93 4.778 0.952 -14.808 1.00 0.00 C ATOM 1403 OD1 ASP A 93 3.858 0.842 -15.645 1.00 0.00 O ATOM 1404 OD2 ASP A 93 5.953 1.245 -15.115 1.00 0.00 O ATOM 0 H ASP A 93 1.924 0.302 -13.218 1.00 0.00 H new ATOM 0 HA ASP A 93 4.265 -1.386 -13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.789 1.505 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.367 0.782 -12.758 1.00 0.00 H new ATOM 1409 N VAL A 94 4.752 -2.137 -11.453 1.00 0.00 N ATOM 1410 CA VAL A 94 5.018 -2.646 -10.113 1.00 0.00 C ATOM 1411 C VAL A 94 5.542 -1.543 -9.200 1.00 0.00 C ATOM 1412 O VAL A 94 5.444 -1.637 -7.976 1.00 0.00 O ATOM 1413 CB VAL A 94 6.037 -3.801 -10.143 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.562 -4.908 -11.072 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.407 -3.291 -10.564 1.00 0.00 C ATOM 0 H VAL A 94 5.198 -2.667 -12.202 1.00 0.00 H new ATOM 0 HA VAL A 94 4.071 -3.018 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 94 6.122 -4.215 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.294 -5.715 -11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.604 -5.291 -10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.447 -4.512 -12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.115 -4.120 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.341 -2.851 -11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.748 -2.536 -9.855 1.00 0.00 H new ATOM 1425 N HIS A 95 6.100 -0.499 -9.804 1.00 0.00 N ATOM 1426 CA HIS A 95 6.640 0.624 -9.045 1.00 0.00 C ATOM 1427 C HIS A 95 5.531 1.355 -8.294 1.00 0.00 C ATOM 1428 O HIS A 95 5.748 1.881 -7.202 1.00 0.00 O ATOM 1429 CB HIS A 95 7.367 1.594 -9.977 1.00 0.00 C ATOM 1430 CG HIS A 95 8.667 1.064 -10.497 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.801 -0.193 -11.048 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.896 1.629 -10.548 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.057 -0.379 -11.415 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.742 0.712 -11.123 1.00 0.00 N ATOM 0 H HIS A 95 6.190 -0.407 -10.816 1.00 0.00 H new ATOM 0 HA HIS A 95 7.350 0.231 -8.317 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.718 1.831 -10.820 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.551 2.527 -9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.162 2.617 -10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.455 -1.271 -11.875 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.738 0.851 -11.296 1.00 0.00 H new ATOM 1443 N THR A 96 4.342 1.386 -8.887 1.00 0.00 N ATOM 1444 CA THR A 96 3.200 2.055 -8.276 1.00 0.00 C ATOM 1445 C THR A 96 2.554 1.176 -7.210 1.00 0.00 C ATOM 1446 O THR A 96 2.591 -0.051 -7.297 1.00 0.00 O ATOM 1447 CB THR A 96 2.139 2.429 -9.328 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.588 1.243 -9.912 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.742 3.303 -10.418 1.00 0.00 C ATOM 0 H THR A 96 4.145 0.955 -9.790 1.00 0.00 H new ATOM 0 HA THR A 96 3.578 2.966 -7.812 1.00 0.00 H new ATOM 0 HB THR A 96 1.348 2.990 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.264 0.812 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.974 3.554 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.134 4.218 -9.975 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.550 2.763 -10.912 1.00 0.00 H new ATOM 1457 N PHE A 97 1.962 1.813 -6.205 1.00 0.00 N ATOM 1458 CA PHE A 97 1.309 1.088 -5.121 1.00 0.00 C ATOM 1459 C PHE A 97 0.075 1.841 -4.630 1.00 0.00 C ATOM 1460 O PHE A 97 0.180 2.950 -4.106 1.00 0.00 O ATOM 1461 CB PHE A 97 2.284 0.873 -3.962 1.00 0.00 C ATOM 1462 CG PHE A 97 1.627 0.352 -2.716 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.904 -0.829 -2.740 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.734 1.044 -1.520 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.298 -1.310 -1.594 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.131 0.567 -0.371 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.413 -0.612 -0.408 1.00 0.00 C ATOM 0 H PHE A 97 1.921 2.829 -6.119 1.00 0.00 H new ATOM 0 HA PHE A 97 0.993 0.118 -5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.059 0.173 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.780 1.817 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.813 -1.380 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.295 1.966 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.265 -2.231 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.221 1.116 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.058 -0.987 0.489 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.092 1.231 -4.806 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.345 1.842 -4.380 1.00 0.00 C ATOM 1479 C ALA A 98 -3.186 0.861 -3.570 1.00 0.00 C ATOM 1480 O ALA A 98 -3.227 -0.332 -3.869 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.127 2.339 -5.587 1.00 0.00 C ATOM 0 H ALA A 98 -1.196 0.314 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.107 2.692 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.060 2.793 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.535 3.080 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.347 1.501 -6.248 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.857 1.372 -2.542 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.696 0.541 -1.688 1.00 0.00 C ATOM 1489 C PHE A 99 -6.036 1.219 -1.416 1.00 0.00 C ATOM 1490 O PHE A 99 -6.115 2.444 -1.320 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.982 0.247 -0.366 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.682 1.479 0.439 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.645 2.035 1.265 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.435 2.081 0.369 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.371 3.169 2.008 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.156 3.214 1.110 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.125 3.759 1.929 1.00 0.00 C ATOM 0 H PHE A 99 -3.835 2.358 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.883 -0.398 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.599 -0.425 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.049 -0.277 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.621 1.578 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.674 1.660 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.130 3.592 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.180 3.673 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.909 4.645 2.507 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.085 0.414 -1.292 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.421 0.936 -1.031 1.00 0.00 C ATOM 1509 C ILE A 100 -8.745 0.896 0.459 1.00 0.00 C ATOM 1510 O ILE A 100 -8.789 -0.174 1.066 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.495 0.144 -1.800 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.305 0.316 -3.308 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.886 0.594 -1.381 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -10.133 -0.642 -4.135 1.00 0.00 C ATOM 0 H ILE A 100 -7.036 -0.602 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.429 1.970 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.388 -0.913 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.563 1.338 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.252 0.177 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.634 0.025 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.017 0.424 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.005 1.656 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.948 -0.462 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.859 -1.667 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.190 -0.488 -3.921 1.00 0.00 H new ATOM 1526 N MET A 101 -8.973 2.068 1.041 1.00 0.00 N ATOM 1527 CA MET A 101 -9.296 2.167 2.459 1.00 0.00 C ATOM 1528 C MET A 101 -10.685 2.766 2.660 1.00 0.00 C ATOM 1529 O MET A 101 -11.114 3.632 1.896 1.00 0.00 O ATOM 1530 CB MET A 101 -8.252 3.017 3.184 1.00 0.00 C ATOM 1531 CG MET A 101 -8.404 4.509 2.937 1.00 0.00 C ATOM 1532 SD MET A 101 -7.145 5.486 3.781 1.00 0.00 S ATOM 1533 CE MET A 101 -7.789 5.498 5.452 1.00 0.00 C ATOM 0 H MET A 101 -8.940 2.963 0.552 1.00 0.00 H new ATOM 0 HA MET A 101 -9.289 1.161 2.878 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.320 2.826 4.255 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.257 2.704 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.351 4.703 1.866 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.391 4.830 3.270 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.127 6.081 6.093 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.783 5.944 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.849 4.476 5.826 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.382 2.300 3.690 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.722 2.791 3.991 1.00 0.00 C ATOM 1545 C ASP A 102 -12.683 3.823 5.114 1.00 0.00 C ATOM 1546 O ASP A 102 -12.358 3.502 6.257 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.638 1.630 4.381 1.00 0.00 C ATOM 1548 CG ASP A 102 -14.937 2.101 5.003 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -14.882 2.771 6.056 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -16.010 1.800 4.438 1.00 0.00 O ATOM 0 H ASP A 102 -11.042 1.583 4.331 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.116 3.270 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.858 1.032 3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.117 0.980 5.084 1.00 0.00 H new ATOM 1555 N THR A 103 -13.015 5.067 4.780 1.00 0.00 N ATOM 1556 CA THR A 103 -13.016 6.147 5.758 1.00 0.00 C ATOM 1557 C THR A 103 -14.436 6.501 6.185 1.00 0.00 C ATOM 1558 O THR A 103 -14.736 6.578 7.376 1.00 0.00 O ATOM 1559 CB THR A 103 -12.330 7.409 5.202 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.091 7.941 4.112 1.00 0.00 O ATOM 1561 CG2 THR A 103 -10.917 7.095 4.735 1.00 0.00 C ATOM 0 H THR A 103 -13.287 5.351 3.839 1.00 0.00 H new ATOM 0 HA THR A 103 -12.458 5.790 6.623 1.00 0.00 H new ATOM 0 HB THR A 103 -12.276 8.148 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.649 8.744 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.452 8.001 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.332 6.718 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.953 6.340 3.950 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.294 4.981 0.026 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.269 5.678 -0.741 1.00 0.00 C ATOM 1609 C ARG A 107 -15.893 5.483 -0.112 1.00 0.00 C ATOM 1610 O ARG A 107 -15.527 6.179 0.835 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.594 7.170 -0.830 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.573 7.515 -1.941 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.411 8.733 -1.586 1.00 0.00 C ATOM 1614 NE ARG A 107 -20.589 8.855 -2.442 1.00 0.00 N ATOM 1615 CZ ARG A 107 -20.553 9.345 -3.676 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -19.405 9.757 -4.196 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -21.667 9.424 -4.392 1.00 0.00 N ATOM 0 HA ARG A 107 -17.253 5.256 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.008 7.501 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.670 7.726 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.025 7.705 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.227 6.664 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.725 8.666 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.801 9.632 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.488 8.547 -2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.547 9.698 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.380 10.133 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.552 9.108 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.639 9.800 -5.340 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.133 4.531 -0.645 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.798 4.244 -0.135 1.00 0.00 C ATOM 1633 C PHE A 108 -12.753 5.116 -0.825 1.00 0.00 C ATOM 1634 O PHE A 108 -12.927 5.519 -1.974 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.459 2.765 -0.338 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.626 1.847 -0.116 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.409 1.962 1.021 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -14.941 0.867 -1.044 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.484 1.119 1.229 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.015 0.021 -0.842 1.00 0.00 C ATOM 1641 CZ PHE A 108 -16.787 0.146 0.296 1.00 0.00 C ATOM 0 H PHE A 108 -15.420 3.946 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.787 4.470 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.082 2.622 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.654 2.488 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.176 2.720 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.340 0.763 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.086 1.221 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.250 -0.738 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.626 -0.515 0.456 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.667 5.403 -0.113 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.595 6.228 -0.656 1.00 0.00 C ATOM 1653 C GLU A 109 -9.383 5.375 -1.020 1.00 0.00 C ATOM 1654 O GLU A 109 -8.950 4.528 -0.237 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.191 7.306 0.352 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.337 8.212 0.766 1.00 0.00 C ATOM 1657 CD GLU A 109 -12.098 8.771 -0.420 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -11.448 9.293 -1.350 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -13.344 8.685 -0.419 1.00 0.00 O ATOM 0 H GLU A 109 -11.507 5.076 0.840 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.964 6.709 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.780 6.825 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.395 7.914 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.024 7.655 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.946 9.036 1.363 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.840 5.605 -2.210 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.679 4.858 -2.679 1.00 0.00 C ATOM 1668 C CYS A 110 -6.461 5.768 -2.805 1.00 0.00 C ATOM 1669 O CYS A 110 -6.410 6.637 -3.676 1.00 0.00 O ATOM 1670 CB CYS A 110 -7.980 4.199 -4.025 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.723 3.017 -4.566 1.00 0.00 S ATOM 0 H CYS A 110 -9.186 6.303 -2.868 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.456 4.083 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.940 3.688 -3.960 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.083 4.976 -4.783 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.068 2.511 -5.713 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.483 5.564 -1.929 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.265 6.367 -1.941 1.00 0.00 C ATOM 1679 C HIS A 111 -3.181 5.696 -2.779 1.00 0.00 C ATOM 1680 O HIS A 111 -2.957 4.490 -2.674 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.760 6.588 -0.515 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.758 7.263 0.375 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -4.954 8.628 0.387 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.618 6.753 1.287 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -5.891 8.928 1.268 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.311 7.808 1.828 1.00 0.00 N ATOM 0 H HIS A 111 -5.510 4.849 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.500 7.333 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.490 5.625 -0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.851 7.188 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.737 5.710 1.542 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.252 9.921 1.492 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.033 7.738 2.545 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.511 6.486 -3.612 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.450 5.969 -4.468 1.00 0.00 C ATOM 1696 C VAL A 112 -0.092 6.533 -4.062 1.00 0.00 C ATOM 1697 O VAL A 112 0.034 7.719 -3.758 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.710 6.304 -5.949 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.656 5.658 -6.836 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.107 5.862 -6.357 1.00 0.00 C ATOM 0 H VAL A 112 -2.684 7.486 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.443 4.886 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.644 7.384 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.856 5.906 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.331 6.029 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.686 4.576 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.274 6.106 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.204 4.786 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.846 6.377 -5.743 1.00 0.00 H new ATOM 1710 N PHE A 113 0.922 5.674 -4.059 1.00 0.00 N ATOM 1711 CA PHE A 113 2.271 6.085 -3.690 1.00 0.00 C ATOM 1712 C PHE A 113 3.313 5.349 -4.528 1.00 0.00 C ATOM 1713 O PHE A 113 3.300 4.122 -4.614 1.00 0.00 O ATOM 1714 CB PHE A 113 2.518 5.822 -2.203 1.00 0.00 C ATOM 1715 CG PHE A 113 1.427 6.345 -1.312 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.340 5.550 -0.987 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.489 7.631 -0.801 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.665 6.028 -0.167 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.487 8.114 0.019 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.592 7.312 0.336 1.00 0.00 C ATOM 0 H PHE A 113 0.835 4.689 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 113 2.364 7.154 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.622 4.749 -2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.464 6.280 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.277 4.545 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.330 8.263 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.507 5.398 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.548 9.118 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.377 7.688 0.976 1.00 0.00 H new ATOM 1730 N TRP A 114 4.212 6.109 -5.143 1.00 0.00 N ATOM 1731 CA TRP A 114 5.260 5.530 -5.975 1.00 0.00 C ATOM 1732 C TRP A 114 6.376 4.944 -5.116 1.00 0.00 C ATOM 1733 O TRP A 114 6.880 5.602 -4.204 1.00 0.00 O ATOM 1734 CB TRP A 114 5.831 6.587 -6.921 1.00 0.00 C ATOM 1735 CG TRP A 114 6.752 6.020 -7.959 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.096 5.810 -7.835 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.397 5.594 -9.279 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.598 5.278 -8.998 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.576 5.135 -9.899 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.199 5.554 -9.997 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.588 4.644 -11.202 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.213 5.066 -11.290 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.400 4.616 -11.881 1.00 0.00 C ATOM 0 H TRP A 114 4.236 7.127 -5.081 1.00 0.00 H new ATOM 0 HA TRP A 114 4.819 4.726 -6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.009 7.102 -7.418 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.369 7.334 -6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.678 6.030 -6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.573 5.030 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.278 5.898 -9.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.502 4.298 -11.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.293 5.031 -11.854 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.378 4.239 -12.893 1.00 0.00 H new ATOM 1754 N CYS A 115 6.756 3.706 -5.411 1.00 0.00 N ATOM 1755 CA CYS A 115 7.812 3.032 -4.664 1.00 0.00 C ATOM 1756 C CYS A 115 9.099 2.966 -5.481 1.00 0.00 C ATOM 1757 O CYS A 115 9.062 2.822 -6.703 1.00 0.00 O ATOM 1758 CB CYS A 115 7.369 1.622 -4.274 1.00 0.00 C ATOM 1759 SG CYS A 115 5.873 1.573 -3.259 1.00 0.00 S ATOM 0 H CYS A 115 6.349 3.149 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 115 8.007 3.607 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.199 1.042 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.179 1.135 -3.732 1.00 0.00 H new ATOM 0 HG CYS A 115 4.948 2.300 -3.813 1.00 0.00 H new ATOM 1765 N GLU A 116 10.234 3.075 -4.798 1.00 0.00 N ATOM 1766 CA GLU A 116 11.531 3.030 -5.462 1.00 0.00 C ATOM 1767 C GLU A 116 12.459 2.032 -4.775 1.00 0.00 C ATOM 1768 O GLU A 116 12.663 2.068 -3.562 1.00 0.00 O ATOM 1769 CB GLU A 116 12.174 4.419 -5.469 1.00 0.00 C ATOM 1770 CG GLU A 116 11.192 5.541 -5.761 1.00 0.00 C ATOM 1771 CD GLU A 116 10.364 5.922 -4.549 1.00 0.00 C ATOM 1772 OE1 GLU A 116 10.561 5.307 -3.480 1.00 0.00 O ATOM 1773 OE2 GLU A 116 9.519 6.833 -4.670 1.00 0.00 O ATOM 0 H GLU A 116 10.282 3.195 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 116 11.373 2.705 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.641 4.599 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.968 4.439 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.740 6.416 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.527 5.236 -6.569 1.00 0.00 H new ATOM 1780 N PRO A 117 13.036 1.117 -5.570 1.00 0.00 N ATOM 1781 CA PRO A 117 12.800 1.064 -7.016 1.00 0.00 C ATOM 1782 C PRO A 117 11.385 0.610 -7.356 1.00 0.00 C ATOM 1783 O PRO A 117 10.690 1.253 -8.142 1.00 0.00 O ATOM 1784 CB PRO A 117 13.823 0.035 -7.504 1.00 0.00 C ATOM 1785 CG PRO A 117 14.085 -0.830 -6.319 1.00 0.00 C ATOM 1786 CD PRO A 117 13.961 0.065 -5.117 1.00 0.00 C ATOM 0 HA PRO A 117 12.904 2.044 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.433 -0.546 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.736 0.518 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.370 -1.651 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.078 -1.275 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.567 -0.473 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.926 0.478 -4.822 1.00 0.00 H new ATOM 1794 N ASN A 118 10.965 -0.500 -6.759 1.00 0.00 N ATOM 1795 CA ASN A 118 9.631 -1.040 -7.000 1.00 0.00 C ATOM 1796 C ASN A 118 8.801 -1.030 -5.720 1.00 0.00 C ATOM 1797 O ASN A 118 9.249 -0.545 -4.682 1.00 0.00 O ATOM 1798 CB ASN A 118 9.726 -2.465 -7.549 1.00 0.00 C ATOM 1799 CG ASN A 118 10.959 -3.195 -7.052 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.879 -3.476 -7.820 1.00 0.00 O ATOM 1801 ND2 ASN A 118 10.982 -3.506 -5.761 1.00 0.00 N ATOM 0 H ASN A 118 11.528 -1.043 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 118 9.137 -0.407 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.835 -3.023 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.741 -2.432 -8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.785 -3.998 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 118 10.197 -3.253 -5.161 1.00 0.00 H new ATOM 1808 N ALA A 119 7.590 -1.570 -5.803 1.00 0.00 N ATOM 1809 CA ALA A 119 6.698 -1.626 -4.651 1.00 0.00 C ATOM 1810 C ALA A 119 6.630 -3.037 -4.078 1.00 0.00 C ATOM 1811 O ALA A 119 5.576 -3.483 -3.625 1.00 0.00 O ATOM 1812 CB ALA A 119 5.308 -1.143 -5.036 1.00 0.00 C ATOM 0 H ALA A 119 7.204 -1.975 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 119 7.099 -0.968 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.653 -1.190 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.366 -0.114 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.908 -1.778 -5.827 1.00 0.00 H new ATOM 1818 N ALA A 120 7.760 -3.736 -4.101 1.00 0.00 N ATOM 1819 CA ALA A 120 7.829 -5.096 -3.582 1.00 0.00 C ATOM 1820 C ALA A 120 7.849 -5.102 -2.057 1.00 0.00 C ATOM 1821 O ALA A 120 7.088 -5.828 -1.420 1.00 0.00 O ATOM 1822 CB ALA A 120 9.055 -5.809 -4.131 1.00 0.00 C ATOM 0 H ALA A 120 8.641 -3.382 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 120 6.936 -5.629 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.094 -6.824 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.998 -5.846 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.954 -5.269 -3.833 1.00 0.00 H new ATOM 1828 N ASN A 121 8.726 -4.288 -1.479 1.00 0.00 N ATOM 1829 CA ASN A 121 8.846 -4.201 -0.028 1.00 0.00 C ATOM 1830 C ASN A 121 7.559 -3.668 0.593 1.00 0.00 C ATOM 1831 O ASN A 121 6.996 -4.279 1.502 1.00 0.00 O ATOM 1832 CB ASN A 121 10.021 -3.299 0.354 1.00 0.00 C ATOM 1833 CG ASN A 121 11.360 -3.903 -0.023 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.842 -4.829 0.631 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.968 -3.380 -1.081 1.00 0.00 N ATOM 0 H ASN A 121 9.364 -3.680 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 121 9.026 -5.204 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 121 9.909 -2.333 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.999 -3.113 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.872 -3.745 -1.382 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.531 -2.613 -1.593 1.00 0.00 H new ATOM 1842 N VAL A 122 7.097 -2.524 0.096 1.00 0.00 N ATOM 1843 CA VAL A 122 5.875 -1.909 0.601 1.00 0.00 C ATOM 1844 C VAL A 122 4.712 -2.895 0.574 1.00 0.00 C ATOM 1845 O VAL A 122 4.035 -3.099 1.582 1.00 0.00 O ATOM 1846 CB VAL A 122 5.495 -0.662 -0.218 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.182 -0.076 0.278 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.607 0.375 -0.157 1.00 0.00 C ATOM 0 H VAL A 122 7.551 -2.005 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 122 6.072 -1.612 1.631 1.00 0.00 H new ATOM 0 HB VAL A 122 5.363 -0.959 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.930 0.805 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.391 -0.819 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.283 0.207 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.321 1.250 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.773 0.669 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.524 -0.050 -0.565 1.00 0.00 H new ATOM 1858 N SER A 123 4.487 -3.504 -0.585 1.00 0.00 N ATOM 1859 CA SER A 123 3.403 -4.467 -0.745 1.00 0.00 C ATOM 1860 C SER A 123 3.583 -5.649 0.203 1.00 0.00 C ATOM 1861 O SER A 123 2.623 -6.123 0.810 1.00 0.00 O ATOM 1862 CB SER A 123 3.342 -4.963 -2.191 1.00 0.00 C ATOM 1863 OG SER A 123 2.546 -4.106 -2.991 1.00 0.00 O ATOM 0 H SER A 123 5.040 -3.348 -1.427 1.00 0.00 H new ATOM 0 HA SER A 123 2.466 -3.966 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.350 -5.018 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.932 -5.973 -2.215 1.00 0.00 H new ATOM 0 HG SER A 123 2.524 -4.444 -3.911 1.00 0.00 H new ATOM 1869 N GLU A 124 4.820 -6.120 0.325 1.00 0.00 N ATOM 1870 CA GLU A 124 5.126 -7.247 1.198 1.00 0.00 C ATOM 1871 C GLU A 124 4.832 -6.902 2.655 1.00 0.00 C ATOM 1872 O GLU A 124 4.289 -7.717 3.400 1.00 0.00 O ATOM 1873 CB GLU A 124 6.592 -7.656 1.045 1.00 0.00 C ATOM 1874 CG GLU A 124 7.013 -8.775 1.983 1.00 0.00 C ATOM 1875 CD GLU A 124 8.519 -8.925 2.073 1.00 0.00 C ATOM 1876 OE1 GLU A 124 9.134 -9.352 1.073 1.00 0.00 O ATOM 1877 OE2 GLU A 124 9.083 -8.616 3.144 1.00 0.00 O ATOM 0 H GLU A 124 5.626 -5.739 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 124 4.491 -8.083 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.767 -7.971 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.224 -6.786 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.611 -8.581 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.578 -9.714 1.641 1.00 0.00 H new ATOM 1884 N ALA A 125 5.195 -5.687 3.054 1.00 0.00 N ATOM 1885 CA ALA A 125 4.969 -5.233 4.420 1.00 0.00 C ATOM 1886 C ALA A 125 3.481 -5.199 4.749 1.00 0.00 C ATOM 1887 O ALA A 125 3.046 -5.747 5.762 1.00 0.00 O ATOM 1888 CB ALA A 125 5.589 -3.859 4.629 1.00 0.00 C ATOM 0 H ALA A 125 5.647 -5.000 2.450 1.00 0.00 H new ATOM 0 HA ALA A 125 5.447 -5.942 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.412 -3.532 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.662 -3.912 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.137 -3.147 3.938 1.00 0.00 H new ATOM 1894 N VAL A 126 2.703 -4.552 3.887 1.00 0.00 N ATOM 1895 CA VAL A 126 1.263 -4.448 4.085 1.00 0.00 C ATOM 1896 C VAL A 126 0.607 -5.824 4.089 1.00 0.00 C ATOM 1897 O VAL A 126 -0.272 -6.101 4.904 1.00 0.00 O ATOM 1898 CB VAL A 126 0.607 -3.581 2.994 1.00 0.00 C ATOM 1899 CG1 VAL A 126 0.917 -4.138 1.612 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.895 -3.491 3.217 1.00 0.00 C ATOM 0 H VAL A 126 3.047 -4.092 3.044 1.00 0.00 H new ATOM 0 HA VAL A 126 1.111 -3.974 5.055 1.00 0.00 H new ATOM 0 HB VAL A 126 1.021 -2.575 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.446 -3.513 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 126 1.996 -4.146 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.532 -5.155 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.342 -2.875 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.328 -4.491 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.092 -3.043 4.191 1.00 0.00 H new ATOM 1910 N GLN A 127 1.041 -6.682 3.171 1.00 0.00 N ATOM 1911 CA GLN A 127 0.496 -8.031 3.069 1.00 0.00 C ATOM 1912 C GLN A 127 0.621 -8.771 4.396 1.00 0.00 C ATOM 1913 O GLN A 127 -0.298 -9.475 4.814 1.00 0.00 O ATOM 1914 CB GLN A 127 1.213 -8.811 1.966 1.00 0.00 C ATOM 1915 CG GLN A 127 0.452 -10.040 1.497 1.00 0.00 C ATOM 1916 CD GLN A 127 1.003 -10.610 0.205 1.00 0.00 C ATOM 1917 OE1 GLN A 127 2.104 -11.162 0.176 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.239 -10.480 -0.874 1.00 0.00 N ATOM 0 H GLN A 127 1.768 -6.467 2.488 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.562 -7.950 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.380 -8.151 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.194 -9.118 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.491 -10.805 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.598 -9.781 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.667 -10.016 -0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 127 0.558 -10.845 -1.772 1.00 0.00 H new ATOM 1927 N ALA A 128 1.764 -8.607 5.054 1.00 0.00 N ATOM 1928 CA ALA A 128 2.008 -9.258 6.335 1.00 0.00 C ATOM 1929 C ALA A 128 1.122 -8.671 7.428 1.00 0.00 C ATOM 1930 O ALA A 128 0.528 -9.403 8.219 1.00 0.00 O ATOM 1931 CB ALA A 128 3.475 -9.134 6.719 1.00 0.00 C ATOM 0 H ALA A 128 2.535 -8.029 4.721 1.00 0.00 H new ATOM 0 HA ALA A 128 1.759 -10.314 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.643 -9.625 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.092 -9.608 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.742 -8.080 6.799 1.00 0.00 H new ATOM 1937 N ALA A 129 1.038 -7.345 7.466 1.00 0.00 N ATOM 1938 CA ALA A 129 0.223 -6.660 8.461 1.00 0.00 C ATOM 1939 C ALA A 129 -1.124 -7.353 8.640 1.00 0.00 C ATOM 1940 O ALA A 129 -1.579 -7.565 9.764 1.00 0.00 O ATOM 1941 CB ALA A 129 0.021 -5.204 8.067 1.00 0.00 C ATOM 0 H ALA A 129 1.524 -6.724 6.819 1.00 0.00 H new ATOM 0 HA ALA A 129 0.751 -6.697 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.590 -4.705 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.989 -4.708 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.481 -5.155 7.101 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.756 -7.702 7.525 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.053 -8.370 7.558 1.00 0.00 C ATOM 1949 C CYS A 130 -2.884 -9.875 7.742 1.00 0.00 C ATOM 1950 O CYS A 130 -3.543 -10.485 8.583 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.830 -8.085 6.273 1.00 0.00 C ATOM 1952 SG CYS A 130 -2.885 -8.375 4.759 1.00 0.00 S ATOM 0 H CYS A 130 -1.392 -7.534 6.587 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.614 -7.979 8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -4.724 -8.709 6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.165 -7.048 6.286 1.00 0.00 H new ATOM 0 HG CYS A 130 -1.783 -9.001 5.049 1.00 0.00 H new ATOM 2337 N HIS A 163 5.973 -12.275 -6.915 1.00 0.00 N ATOM 2338 CA HIS A 163 4.920 -11.865 -5.993 1.00 0.00 C ATOM 2339 C HIS A 163 4.244 -10.585 -6.474 1.00 0.00 C ATOM 2340 O HIS A 163 3.034 -10.558 -6.705 1.00 0.00 O ATOM 2341 CB HIS A 163 5.493 -11.657 -4.591 1.00 0.00 C ATOM 2342 CG HIS A 163 4.720 -10.673 -3.768 1.00 0.00 C ATOM 2343 ND1 HIS A 163 3.581 -11.009 -3.067 1.00 0.00 N ATOM 2344 CD2 HIS A 163 4.930 -9.357 -3.534 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.122 -9.941 -2.439 1.00 0.00 C ATOM 2346 NE2 HIS A 163 3.923 -8.925 -2.706 1.00 0.00 N ATOM 0 HA HIS A 163 4.173 -12.658 -5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.516 -12.615 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.525 -11.316 -4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 163 5.739 -8.758 -3.925 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.242 -9.905 -1.814 1.00 0.00 H new ATOM 0 HE2 HIS A 163 3.812 -7.974 -2.354 1.00 0.00 H new ATOM 2354 N LEU A 164 5.032 -9.526 -6.623 1.00 0.00 N ATOM 2355 CA LEU A 164 4.509 -8.241 -7.076 1.00 0.00 C ATOM 2356 C LEU A 164 3.417 -8.437 -8.123 1.00 0.00 C ATOM 2357 O LEU A 164 2.312 -7.912 -7.987 1.00 0.00 O ATOM 2358 CB LEU A 164 5.637 -7.384 -7.653 1.00 0.00 C ATOM 2359 CG LEU A 164 6.378 -6.491 -6.657 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.751 -6.118 -7.193 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.564 -5.241 -6.354 1.00 0.00 C ATOM 0 H LEU A 164 6.035 -9.531 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 164 4.076 -7.729 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.362 -8.045 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.221 -6.752 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 164 6.512 -7.047 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.263 -5.482 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.335 -7.023 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.640 -5.581 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.106 -4.617 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.399 -4.682 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.603 -5.527 -5.926 1.00 0.00 H new ATOM 2373 N SER A 165 3.734 -9.196 -9.167 1.00 0.00 N ATOM 2374 CA SER A 165 2.780 -9.460 -10.238 1.00 0.00 C ATOM 2375 C SER A 165 1.488 -10.050 -9.682 1.00 0.00 C ATOM 2376 O SER A 165 0.395 -9.736 -10.153 1.00 0.00 O ATOM 2377 CB SER A 165 3.389 -10.414 -11.268 1.00 0.00 C ATOM 2378 OG SER A 165 4.246 -9.723 -12.159 1.00 0.00 O ATOM 0 H SER A 165 4.644 -9.639 -9.294 1.00 0.00 H new ATOM 0 HA SER A 165 2.546 -8.513 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.947 -11.198 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.594 -10.904 -11.830 1.00 0.00 H new ATOM 0 HG SER A 165 4.624 -10.355 -12.806 1.00 0.00 H new ATOM 2384 N LYS A 166 1.622 -10.908 -8.676 1.00 0.00 N ATOM 2385 CA LYS A 166 0.467 -11.543 -8.053 1.00 0.00 C ATOM 2386 C LYS A 166 -0.505 -10.497 -7.516 1.00 0.00 C ATOM 2387 O LYS A 166 -1.717 -10.710 -7.507 1.00 0.00 O ATOM 2388 CB LYS A 166 0.917 -12.467 -6.918 1.00 0.00 C ATOM 2389 CG LYS A 166 1.924 -13.518 -7.353 1.00 0.00 C ATOM 2390 CD LYS A 166 1.236 -14.797 -7.801 1.00 0.00 C ATOM 2391 CE LYS A 166 2.046 -15.522 -8.864 1.00 0.00 C ATOM 2392 NZ LYS A 166 3.070 -16.422 -8.263 1.00 0.00 N ATOM 0 H LYS A 166 2.520 -11.180 -8.275 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.045 -12.134 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.354 -11.864 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.043 -12.965 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 166 2.532 -13.126 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.601 -13.738 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 166 1.090 -15.453 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 166 0.247 -14.561 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 166 1.376 -16.105 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 166 2.537 -14.792 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 3.601 -16.898 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 3.725 -15.863 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 2.600 -17.135 -7.669 1.00 0.00 H new ATOM 2406 N MET A 167 0.035 -9.368 -7.070 1.00 0.00 N ATOM 2407 CA MET A 167 -0.786 -8.288 -6.534 1.00 0.00 C ATOM 2408 C MET A 167 -1.555 -7.585 -7.648 1.00 0.00 C ATOM 2409 O MET A 167 -2.783 -7.520 -7.621 1.00 0.00 O ATOM 2410 CB MET A 167 0.086 -7.279 -5.785 1.00 0.00 C ATOM 2411 CG MET A 167 0.926 -7.903 -4.682 1.00 0.00 C ATOM 2412 SD MET A 167 -0.057 -8.876 -3.526 1.00 0.00 S ATOM 2413 CE MET A 167 -0.756 -7.583 -2.503 1.00 0.00 C ATOM 0 H MET A 167 1.037 -9.177 -7.069 1.00 0.00 H new ATOM 0 HA MET A 167 -1.505 -8.722 -5.839 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.746 -6.783 -6.496 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.553 -6.509 -5.352 1.00 0.00 H new ATOM 0 HG2 MET A 167 1.690 -8.540 -5.129 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.446 -7.115 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 167 -1.391 -8.028 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.048 -7.022 -2.026 1.00 0.00 H new ATOM 0 HE3 MET A 167 -1.350 -6.911 -3.122 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.823 -7.061 -8.626 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.437 -6.362 -9.749 1.00 0.00 C ATOM 2425 C GLN A 168 -2.316 -7.305 -10.562 1.00 0.00 C ATOM 2426 O GLN A 168 -3.290 -6.880 -11.184 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.360 -5.748 -10.645 1.00 0.00 C ATOM 2428 CG GLN A 168 0.679 -6.750 -11.120 1.00 0.00 C ATOM 2429 CD GLN A 168 1.968 -6.087 -11.565 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.053 -6.436 -11.098 1.00 0.00 O ATOM 2431 NE2 GLN A 168 1.856 -5.125 -12.474 1.00 0.00 N ATOM 0 H GLN A 168 0.195 -7.107 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 168 -2.064 -5.565 -9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.837 -5.293 -11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.141 -4.948 -10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.895 -7.453 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.268 -7.329 -11.947 1.00 0.00 H new ATOM 0 HE21 GLN A 168 0.937 -4.868 -12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.689 -4.643 -12.812 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.966 -8.587 -10.553 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.724 -9.591 -11.292 1.00 0.00 C ATOM 2442 C GLN A 169 -4.094 -9.813 -10.659 1.00 0.00 C ATOM 2443 O GLN A 169 -5.111 -9.367 -11.187 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.951 -10.910 -11.341 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.843 -10.928 -12.381 1.00 0.00 C ATOM 2446 CD GLN A 169 0.020 -12.171 -12.293 1.00 0.00 C ATOM 2447 OE1 GLN A 169 0.423 -12.585 -11.206 1.00 0.00 O ATOM 2448 NE2 GLN A 169 0.309 -12.775 -13.440 1.00 0.00 N ATOM 0 H GLN A 169 -1.163 -8.955 -10.043 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.869 -9.226 -12.309 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.519 -11.105 -10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.647 -11.722 -11.550 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.283 -10.866 -13.376 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.216 -10.045 -12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -0.046 -12.398 -14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 169 0.886 -13.616 -13.442 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.111 -10.507 -9.526 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.357 -10.789 -8.822 1.00 0.00 C ATOM 2459 C ASN A 170 -5.515 -9.877 -7.608 1.00 0.00 C ATOM 2460 O ASN A 170 -6.628 -9.512 -7.234 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.397 -12.254 -8.381 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.065 -12.731 -7.836 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -3.792 -12.612 -6.642 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.227 -13.273 -8.712 1.00 0.00 N ATOM 0 H ASN A 170 -3.277 -10.884 -9.076 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.183 -10.599 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.165 -12.380 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.684 -12.878 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.315 -13.611 -8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.495 -13.352 -9.693 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.391 -9.513 -6.998 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.426 -8.647 -5.835 1.00 0.00 C ATOM 2473 C GLY A 171 -4.897 -9.369 -4.588 1.00 0.00 C ATOM 2474 O GLY A 171 -5.071 -10.588 -4.597 1.00 0.00 O ATOM 0 H GLY A 171 -3.457 -9.803 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.431 -8.238 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.087 -7.803 -6.034 1.00 0.00 H new ATOM 2478 N TYR A 172 -5.104 -8.617 -3.513 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.554 -9.194 -2.252 1.00 0.00 C ATOM 2480 C TYR A 172 -6.659 -8.347 -1.629 1.00 0.00 C ATOM 2481 O TYR A 172 -6.493 -7.145 -1.422 1.00 0.00 O ATOM 2482 CB TYR A 172 -4.382 -9.319 -1.277 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.761 -9.934 0.051 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -5.041 -11.291 0.156 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.841 -9.158 1.201 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -5.389 -11.857 1.367 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -5.187 -9.716 2.416 1.00 0.00 C ATOM 2488 CZ TYR A 172 -5.461 -11.066 2.494 1.00 0.00 C ATOM 2489 OH TYR A 172 -5.807 -11.625 3.703 1.00 0.00 O ATOM 0 H TYR A 172 -4.967 -7.606 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.954 -10.187 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.600 -9.923 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.959 -8.330 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -4.986 -11.914 -0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.629 -8.101 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -5.604 -12.914 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.243 -9.099 3.301 1.00 0.00 H new ATOM 0 HH TYR A 172 -5.810 -10.931 4.395 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.788 -8.984 -1.332 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.921 -8.289 -0.733 1.00 0.00 C ATOM 2501 C GLU A 173 -9.133 -8.737 0.710 1.00 0.00 C ATOM 2502 O GLU A 173 -9.560 -9.862 0.966 1.00 0.00 O ATOM 2503 CB GLU A 173 -10.191 -8.542 -1.548 1.00 0.00 C ATOM 2504 CG GLU A 173 -10.538 -10.014 -1.695 1.00 0.00 C ATOM 2505 CD GLU A 173 -11.461 -10.508 -0.598 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -12.392 -9.764 -0.226 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -11.253 -11.640 -0.113 1.00 0.00 O ATOM 0 H GLU A 173 -7.942 -9.979 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.702 -7.221 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -11.026 -8.026 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.069 -8.106 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -11.011 -10.177 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.621 -10.602 -1.685 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.830 -7.847 1.650 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.985 -8.150 3.068 1.00 0.00 C ATOM 2516 C ASN A 174 -10.190 -9.056 3.302 1.00 0.00 C ATOM 2517 O ASN A 174 -11.332 -8.700 3.011 1.00 0.00 O ATOM 2518 CB ASN A 174 -9.141 -6.858 3.873 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.554 -6.971 5.266 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.954 -7.986 5.619 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.725 -5.925 6.067 1.00 0.00 N ATOM 0 H ASN A 174 -8.476 -6.911 1.455 1.00 0.00 H new ATOM 0 HA ASN A 174 -8.089 -8.673 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.654 -6.041 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.199 -6.604 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.352 -5.943 7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.229 -5.104 5.733 1.00 0.00 H new