USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 801 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: C 36 GLN : amide:sc= -1.07! X(o=-1.9!,f=-1.6) USER MOD Set 1.2: C 73 GLN : amide:sc= -0.863 X(o=-1.9,f=-1.6!) USER MOD Set 2.1: C 43 LYS NZ :NH3+ 147:sc= 2.41 (180deg=1.44) USER MOD Set 2.2: C 54 SER OG : rot 180:sc= -1.11 USER MOD Set 3.1: A 13 CYS SG : rot -120:sc= 0.536! USER MOD Set 3.2: A 15 CYS SG : rot -38:sc= 0.504! USER MOD Set 3.3: A 16 CYS SG : rot -100:sc= -0.0897 USER MOD Set 3.4: A 29 CYS SG : rot 167:sc= -4.56! USER MOD Set 3.5: A 32 CYS SG : rot -172:sc= 0.893 USER MOD Set 3.6: A 34 SER OG : rot 95:sc= 0.144 USER MOD Set 4.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: C 62 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.05) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -4.8 K(o=-4.8,f=-6!) USER MOD Single : A 17 SER OG : rot -48:sc= 0.109 USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot -140:sc= 0 USER MOD Single : C 28 THR OG1 : rot 29:sc= -0.413 USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 38 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.1!) USER MOD Single : C 40 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.227) USER MOD Single : C 45 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.04) USER MOD Single : C 49 SER OG : rot -170:sc= 0.0124 USER MOD Single : C 51 SER OG : rot -36:sc= 0.66 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -2.73 K(o=-2.7,f=-7!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.911 USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 162:sc= -0.0693 (180deg=-0.47) USER MOD Single : C 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 75 TYR OH : rot 132:sc= 0.185 USER MOD Single : C 76 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.2) USER MOD Single : C 80 LYS NZ :NH3+ -163:sc= -0.0346 (180deg=-0.386) USER MOD Single : C 83 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -12.104 -9.520 7.221 1.00 0.00 N ATOM 138 CA ARG A 10 -12.440 -8.198 7.706 1.00 0.00 C ATOM 139 C ARG A 10 -11.673 -7.172 6.905 1.00 0.00 C ATOM 140 O ARG A 10 -10.626 -6.682 7.324 1.00 0.00 O ATOM 141 CB ARG A 10 -12.121 -8.056 9.192 1.00 0.00 C ATOM 142 CG ARG A 10 -13.086 -7.149 9.932 1.00 0.00 C ATOM 143 CD ARG A 10 -14.484 -7.747 9.953 1.00 0.00 C ATOM 144 NE ARG A 10 -15.438 -6.891 10.647 1.00 0.00 N ATOM 145 CZ ARG A 10 -16.175 -7.282 11.684 1.00 0.00 C ATOM 146 NH1 ARG A 10 -16.092 -8.532 12.135 1.00 0.00 N ATOM 147 NH2 ARG A 10 -17.007 -6.425 12.261 1.00 0.00 N ATOM 0 HA ARG A 10 -13.511 -8.039 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.134 -9.043 9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.109 -7.666 9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.737 -6.995 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.112 -6.170 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.823 -7.911 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.453 -8.722 10.439 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.548 -5.932 10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.461 -9.196 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.659 -8.826 12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.080 -5.470 11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.574 -6.721 13.056 1.00 0.00 H new ATOM 161 N TYR A 11 -12.190 -6.882 5.732 1.00 0.00 N ATOM 162 CA TYR A 11 -11.578 -5.916 4.851 1.00 0.00 C ATOM 163 C TYR A 11 -12.519 -4.769 4.655 1.00 0.00 C ATOM 164 O TYR A 11 -13.699 -4.847 4.983 1.00 0.00 O ATOM 165 CB TYR A 11 -11.253 -6.525 3.487 1.00 0.00 C ATOM 166 CG TYR A 11 -10.062 -7.412 3.458 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.974 -8.492 4.307 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.036 -7.172 2.565 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.887 -9.320 4.281 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.935 -7.999 2.526 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.862 -9.074 3.389 1.00 0.00 C ATOM 172 OH TYR A 11 -6.768 -9.909 3.358 1.00 0.00 O ATOM 0 H TYR A 11 -13.041 -7.307 5.365 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.647 -5.582 5.309 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.118 -7.094 3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.101 -5.716 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.776 -8.688 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.097 -6.329 1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.830 -10.162 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.135 -7.808 1.826 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.138 -9.598 2.674 1.00 0.00 H new ATOM 182 N PHE A 12 -12.001 -3.724 4.096 1.00 0.00 N ATOM 183 CA PHE A 12 -12.798 -2.565 3.807 1.00 0.00 C ATOM 184 C PHE A 12 -12.383 -1.995 2.473 1.00 0.00 C ATOM 185 O PHE A 12 -11.247 -1.558 2.292 1.00 0.00 O ATOM 186 CB PHE A 12 -12.690 -1.509 4.906 1.00 0.00 C ATOM 187 CG PHE A 12 -13.716 -0.427 4.762 1.00 0.00 C ATOM 188 CD1 PHE A 12 -15.045 -0.675 5.074 1.00 0.00 C ATOM 189 CD2 PHE A 12 -13.358 0.830 4.291 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.998 0.317 4.912 1.00 0.00 C ATOM 191 CE2 PHE A 12 -14.306 1.824 4.135 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.625 1.568 4.443 1.00 0.00 C ATOM 0 H PHE A 12 -11.021 -3.644 3.826 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.844 -2.869 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.805 -1.988 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.694 -1.067 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.338 -1.646 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.326 1.033 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.032 0.116 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.014 2.799 3.773 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.368 2.342 4.319 1.00 0.00 H new ATOM 202 N CYS A 13 -13.287 -2.049 1.522 1.00 0.00 N ATOM 203 CA CYS A 13 -13.030 -1.483 0.228 1.00 0.00 C ATOM 204 C CYS A 13 -13.554 -0.063 0.184 1.00 0.00 C ATOM 205 O CYS A 13 -14.749 0.182 0.340 1.00 0.00 O ATOM 206 CB CYS A 13 -13.639 -2.346 -0.860 1.00 0.00 C ATOM 207 SG CYS A 13 -14.095 -1.462 -2.362 1.00 0.00 S ATOM 0 H CYS A 13 -14.206 -2.480 1.625 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.955 -1.453 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.930 -3.132 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.527 -2.836 -0.461 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.371 -1.595 -2.573 1.00 0.00 H new ATOM 212 N HIS A 14 -12.644 0.864 -0.022 1.00 0.00 N ATOM 213 CA HIS A 14 -12.947 2.288 0.077 1.00 0.00 C ATOM 214 C HIS A 14 -13.701 2.811 -1.140 1.00 0.00 C ATOM 215 O HIS A 14 -14.358 3.844 -1.056 1.00 0.00 O ATOM 216 CB HIS A 14 -11.671 3.100 0.331 1.00 0.00 C ATOM 217 CG HIS A 14 -10.438 2.472 -0.230 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.989 2.704 -1.508 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.579 1.580 0.316 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.907 1.979 -1.724 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.637 1.290 -0.635 1.00 0.00 N ATOM 0 H HIS A 14 -11.674 0.660 -0.263 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.612 2.414 0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.791 4.093 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.544 3.233 1.405 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.422 3.335 -2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.627 1.173 1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.338 1.955 -2.642 1.00 0.00 H new ATOM 230 N CYS A 15 -13.631 2.109 -2.265 1.00 0.00 N ATOM 231 CA CYS A 15 -14.400 2.526 -3.432 1.00 0.00 C ATOM 232 C CYS A 15 -15.883 2.226 -3.210 1.00 0.00 C ATOM 233 O CYS A 15 -16.754 2.942 -3.698 1.00 0.00 O ATOM 234 CB CYS A 15 -13.876 1.872 -4.713 1.00 0.00 C ATOM 235 SG CYS A 15 -14.251 0.119 -4.900 1.00 0.00 S ATOM 0 H CYS A 15 -13.066 1.270 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.281 3.602 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.289 2.407 -5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.794 2.000 -4.749 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.154 -0.471 -3.746 1.00 0.00 H new ATOM 241 N CYS A 16 -16.156 1.160 -2.458 1.00 0.00 N ATOM 242 CA CYS A 16 -17.520 0.864 -2.009 1.00 0.00 C ATOM 243 C CYS A 16 -17.846 1.665 -0.749 1.00 0.00 C ATOM 244 O CYS A 16 -18.990 2.043 -0.513 1.00 0.00 O ATOM 245 CB CYS A 16 -17.707 -0.632 -1.699 1.00 0.00 C ATOM 246 SG CYS A 16 -17.752 -1.726 -3.139 1.00 0.00 S ATOM 0 H CYS A 16 -15.455 0.488 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.192 1.142 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.896 -0.954 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.635 -0.756 -1.141 1.00 0.00 H new ATOM 0 HG CYS A 16 -18.986 -2.022 -3.421 1.00 0.00 H new ATOM 251 N SER A 17 -16.803 1.923 0.037 1.00 0.00 N ATOM 252 CA SER A 17 -16.912 2.517 1.372 1.00 0.00 C ATOM 253 C SER A 17 -17.795 1.656 2.266 1.00 0.00 C ATOM 254 O SER A 17 -18.427 2.144 3.203 1.00 0.00 O ATOM 255 CB SER A 17 -17.444 3.948 1.334 1.00 0.00 C ATOM 256 OG SER A 17 -17.262 4.539 0.054 1.00 0.00 O ATOM 0 H SER A 17 -15.842 1.723 -0.238 1.00 0.00 H new ATOM 0 HA SER A 17 -15.904 2.557 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.504 3.950 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.933 4.547 2.088 1.00 0.00 H new ATOM 0 HG SER A 17 -16.341 4.391 -0.247 1.00 0.00 H new ATOM 262 N VAL A 18 -17.815 0.364 1.976 1.00 0.00 N ATOM 263 CA VAL A 18 -18.547 -0.599 2.779 1.00 0.00 C ATOM 264 C VAL A 18 -17.636 -1.785 3.048 1.00 0.00 C ATOM 265 O VAL A 18 -16.813 -2.145 2.200 1.00 0.00 O ATOM 266 CB VAL A 18 -19.827 -1.092 2.075 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.664 -1.947 3.013 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.649 0.075 1.544 1.00 0.00 C ATOM 0 H VAL A 18 -17.325 -0.044 1.180 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.851 -0.113 3.706 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.523 -1.705 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.562 -2.284 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.083 -2.812 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.948 -1.359 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.545 -0.305 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.936 0.724 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.055 0.642 0.827 1.00 0.00 H new ATOM 278 N GLU A 19 -17.764 -2.366 4.229 1.00 0.00 N ATOM 279 CA GLU A 19 -16.890 -3.447 4.646 1.00 0.00 C ATOM 280 C GLU A 19 -17.182 -4.729 3.878 1.00 0.00 C ATOM 281 O GLU A 19 -18.327 -5.005 3.520 1.00 0.00 O ATOM 282 CB GLU A 19 -17.022 -3.679 6.141 1.00 0.00 C ATOM 283 CG GLU A 19 -16.184 -4.810 6.616 1.00 0.00 C ATOM 284 CD GLU A 19 -16.393 -5.133 8.082 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.724 -4.513 8.937 1.00 0.00 O ATOM 286 OE2 GLU A 19 -17.239 -6.003 8.386 1.00 0.00 O ATOM 0 H GLU A 19 -18.469 -2.105 4.918 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.864 -3.156 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.737 -2.771 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.066 -3.877 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.408 -5.695 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.134 -4.571 6.449 1.00 0.00 H new ATOM 293 N ILE A 20 -16.130 -5.507 3.636 1.00 0.00 N ATOM 294 CA ILE A 20 -16.220 -6.673 2.775 1.00 0.00 C ATOM 295 C ILE A 20 -15.444 -7.862 3.344 1.00 0.00 C ATOM 296 O ILE A 20 -14.636 -7.716 4.266 1.00 0.00 O ATOM 297 CB ILE A 20 -15.648 -6.375 1.387 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.157 -6.391 1.496 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.100 -5.014 0.914 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.436 -6.884 0.282 1.00 0.00 C ATOM 0 H ILE A 20 -15.202 -5.346 4.029 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.280 -6.920 2.710 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.996 -7.121 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.814 -5.380 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.877 -7.016 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.685 -4.816 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.189 -4.990 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.753 -4.252 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.361 -6.857 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.743 -7.908 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.678 -6.247 -0.569 1.00 0.00 H new ATOM 312 N VAL A 21 -15.695 -9.033 2.776 1.00 0.00 N ATOM 313 CA VAL A 21 -14.819 -10.175 2.934 1.00 0.00 C ATOM 314 C VAL A 21 -14.408 -10.654 1.551 1.00 0.00 C ATOM 315 O VAL A 21 -15.147 -11.347 0.850 1.00 0.00 O ATOM 316 CB VAL A 21 -15.462 -11.329 3.732 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.531 -12.530 3.793 1.00 0.00 C ATOM 318 CG2 VAL A 21 -15.840 -10.878 5.134 1.00 0.00 C ATOM 0 H VAL A 21 -16.513 -9.214 2.194 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.952 -9.859 3.513 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.373 -11.626 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.006 -13.330 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.320 -12.878 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.599 -12.244 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.291 -11.710 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.947 -10.544 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.554 -10.056 5.072 1.00 0.00 H new ATOM 328 N PRO A 22 -13.225 -10.216 1.153 1.00 0.00 N ATOM 329 CA PRO A 22 -12.686 -10.374 -0.193 1.00 0.00 C ATOM 330 C PRO A 22 -12.576 -11.794 -0.718 1.00 0.00 C ATOM 331 O PRO A 22 -12.772 -12.782 -0.010 1.00 0.00 O ATOM 332 CB PRO A 22 -11.291 -9.790 -0.098 1.00 0.00 C ATOM 333 CG PRO A 22 -11.034 -9.513 1.329 1.00 0.00 C ATOM 334 CD PRO A 22 -12.332 -9.441 2.003 1.00 0.00 C ATOM 0 HA PRO A 22 -13.368 -9.891 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.553 -10.488 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.215 -8.877 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.417 -10.298 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.489 -8.577 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.281 -9.857 3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.672 -8.410 2.101 1.00 0.00 H new ATOM 342 N ARG A 23 -12.204 -11.837 -1.987 1.00 0.00 N ATOM 343 CA ARG A 23 -11.933 -13.041 -2.723 1.00 0.00 C ATOM 344 C ARG A 23 -10.424 -13.129 -2.923 1.00 0.00 C ATOM 345 O ARG A 23 -9.899 -13.280 -4.026 1.00 0.00 O ATOM 346 CB ARG A 23 -12.735 -13.015 -4.016 1.00 0.00 C ATOM 347 CG ARG A 23 -14.149 -13.528 -3.871 1.00 0.00 C ATOM 348 CD ARG A 23 -15.092 -12.589 -4.563 1.00 0.00 C ATOM 349 NE ARG A 23 -16.483 -13.041 -4.542 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.270 -13.030 -3.467 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.789 -12.681 -2.281 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.540 -13.387 -3.579 1.00 0.00 N ATOM 0 H ARG A 23 -12.080 -10.994 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.243 -13.942 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.767 -11.992 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.217 -13.614 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.231 -14.526 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.411 -13.612 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.029 -11.609 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.774 -12.464 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.880 -13.390 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.808 -12.418 -2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.400 -12.676 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.912 -13.669 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.146 -13.380 -2.759 1.00 0.00 H new ATOM 366 N LEU A 24 -9.783 -12.893 -1.781 1.00 0.00 N ATOM 367 CA LEU A 24 -8.353 -13.043 -1.501 1.00 0.00 C ATOM 368 C LEU A 24 -7.450 -13.663 -2.567 1.00 0.00 C ATOM 369 O LEU A 24 -6.420 -13.065 -2.863 1.00 0.00 O ATOM 370 CB LEU A 24 -8.199 -13.702 -0.202 1.00 0.00 C ATOM 371 CG LEU A 24 -7.840 -12.628 0.775 1.00 0.00 C ATOM 372 CD1 LEU A 24 -8.828 -12.512 1.848 1.00 0.00 C ATOM 373 CD2 LEU A 24 -6.437 -12.809 1.174 1.00 0.00 C ATOM 0 H LEU A 24 -10.290 -12.565 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.973 -12.021 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.122 -14.202 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.422 -14.465 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.891 -11.639 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.528 -11.720 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.802 -12.272 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.891 -13.457 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.159 -12.033 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.314 -13.788 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.797 -12.740 0.295 1.00 0.00 H new ATOM 385 N PRO A 25 -7.737 -14.870 -3.113 1.00 0.00 N ATOM 386 CA PRO A 25 -7.006 -15.409 -4.249 1.00 0.00 C ATOM 387 C PRO A 25 -6.565 -14.338 -5.254 1.00 0.00 C ATOM 388 O PRO A 25 -5.487 -14.423 -5.845 1.00 0.00 O ATOM 389 CB PRO A 25 -8.009 -16.353 -4.891 1.00 0.00 C ATOM 390 CG PRO A 25 -8.921 -16.777 -3.787 1.00 0.00 C ATOM 391 CD PRO A 25 -8.694 -15.860 -2.620 1.00 0.00 C ATOM 0 HA PRO A 25 -6.077 -15.884 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.562 -15.855 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.509 -17.212 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.960 -16.730 -4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.722 -17.811 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.623 -15.389 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.298 -16.401 -1.761 1.00 0.00 H new ATOM 399 N ASP A 26 -7.414 -13.334 -5.436 1.00 0.00 N ATOM 400 CA ASP A 26 -7.116 -12.211 -6.315 1.00 0.00 C ATOM 401 C ASP A 26 -7.051 -10.901 -5.539 1.00 0.00 C ATOM 402 O ASP A 26 -6.527 -9.896 -6.018 1.00 0.00 O ATOM 403 CB ASP A 26 -8.204 -12.103 -7.363 1.00 0.00 C ATOM 404 CG ASP A 26 -7.686 -12.342 -8.765 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.661 -13.509 -9.207 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.289 -11.367 -9.430 1.00 0.00 O ATOM 0 H ASP A 26 -8.325 -13.276 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.145 -12.388 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.990 -12.825 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.657 -11.113 -7.311 1.00 0.00 H new ATOM 411 N TYR A 27 -7.620 -10.954 -4.342 1.00 0.00 N ATOM 412 CA TYR A 27 -7.748 -9.800 -3.434 1.00 0.00 C ATOM 413 C TYR A 27 -8.740 -8.821 -3.999 1.00 0.00 C ATOM 414 O TYR A 27 -8.480 -7.629 -4.129 1.00 0.00 O ATOM 415 CB TYR A 27 -6.425 -9.090 -3.181 1.00 0.00 C ATOM 416 CG TYR A 27 -5.495 -9.864 -2.298 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.627 -9.798 -0.924 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.490 -10.653 -2.830 1.00 0.00 C ATOM 419 CE1 TYR A 27 -4.779 -10.495 -0.097 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.636 -11.362 -2.010 1.00 0.00 C ATOM 421 CZ TYR A 27 -3.782 -11.280 -0.643 1.00 0.00 C ATOM 422 OH TYR A 27 -2.925 -11.979 0.179 1.00 0.00 O ATOM 0 H TYR A 27 -8.016 -11.812 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.092 -10.188 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.934 -8.900 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.623 -8.119 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.408 -9.189 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.372 -10.715 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.892 -10.429 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.858 -11.977 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.284 -12.481 -0.367 1.00 0.00 H new ATOM 432 N ILE A 28 -9.875 -9.357 -4.335 1.00 0.00 N ATOM 433 CA ILE A 28 -10.955 -8.589 -4.905 1.00 0.00 C ATOM 434 C ILE A 28 -12.027 -8.373 -3.865 1.00 0.00 C ATOM 435 O ILE A 28 -12.130 -9.124 -2.898 1.00 0.00 O ATOM 436 CB ILE A 28 -11.560 -9.303 -6.127 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.198 -10.779 -6.042 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.041 -8.678 -7.411 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.008 -11.704 -6.905 1.00 0.00 C ATOM 0 H ILE A 28 -10.085 -10.349 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.556 -7.629 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.645 -9.198 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.147 -10.891 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.299 -11.099 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.476 -9.192 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.318 -7.624 -7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.955 -8.769 -7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.664 -12.728 -6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.060 -11.633 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.889 -11.422 -7.951 1.00 0.00 H new ATOM 451 N CYS A 29 -12.843 -7.381 -4.096 1.00 0.00 N ATOM 452 CA CYS A 29 -13.916 -7.036 -3.194 1.00 0.00 C ATOM 453 C CYS A 29 -15.179 -7.713 -3.699 1.00 0.00 C ATOM 454 O CYS A 29 -15.377 -7.848 -4.892 1.00 0.00 O ATOM 455 CB CYS A 29 -14.042 -5.509 -3.179 1.00 0.00 C ATOM 456 SG CYS A 29 -15.627 -4.827 -2.637 1.00 0.00 S ATOM 0 H CYS A 29 -12.784 -6.783 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.733 -7.372 -2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.261 -5.110 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.840 -5.142 -4.185 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.498 -3.553 -2.415 1.00 0.00 H new ATOM 461 N PRO A 30 -16.041 -8.159 -2.798 1.00 0.00 N ATOM 462 CA PRO A 30 -17.214 -8.935 -3.151 1.00 0.00 C ATOM 463 C PRO A 30 -18.286 -7.987 -3.602 1.00 0.00 C ATOM 464 O PRO A 30 -19.275 -8.357 -4.228 1.00 0.00 O ATOM 465 CB PRO A 30 -17.595 -9.589 -1.825 1.00 0.00 C ATOM 466 CG PRO A 30 -17.179 -8.592 -0.796 1.00 0.00 C ATOM 467 CD PRO A 30 -15.998 -7.856 -1.375 1.00 0.00 C ATOM 0 HA PRO A 30 -17.061 -9.662 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.665 -9.793 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.082 -10.541 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.993 -7.904 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.910 -9.086 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.072 -6.783 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.063 -8.191 -0.926 1.00 0.00 H new ATOM 475 N ARG A 31 -18.060 -6.741 -3.231 1.00 0.00 N ATOM 476 CA ARG A 31 -18.996 -5.684 -3.537 1.00 0.00 C ATOM 477 C ARG A 31 -18.726 -4.956 -4.853 1.00 0.00 C ATOM 478 O ARG A 31 -19.579 -4.212 -5.328 1.00 0.00 O ATOM 479 CB ARG A 31 -19.067 -4.739 -2.401 1.00 0.00 C ATOM 480 CG ARG A 31 -19.594 -5.472 -1.217 1.00 0.00 C ATOM 481 CD ARG A 31 -19.781 -4.585 -0.005 1.00 0.00 C ATOM 482 NE ARG A 31 -20.175 -5.359 1.169 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.323 -5.203 1.824 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.236 -4.342 1.393 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.560 -5.930 2.906 1.00 0.00 N ATOM 0 H ARG A 31 -17.233 -6.439 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.964 -6.162 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.080 -4.329 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.715 -3.898 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.549 -5.930 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.910 -6.282 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.853 -4.052 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.540 -3.832 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.526 -6.068 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.061 -3.792 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.112 -4.230 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.865 -6.603 3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.437 -5.817 3.414 1.00 0.00 H new ATOM 499 N CYS A 32 -17.545 -5.145 -5.440 1.00 0.00 N ATOM 500 CA CYS A 32 -17.264 -4.532 -6.741 1.00 0.00 C ATOM 501 C CYS A 32 -16.230 -5.311 -7.554 1.00 0.00 C ATOM 502 O CYS A 32 -16.027 -5.021 -8.734 1.00 0.00 O ATOM 503 CB CYS A 32 -16.810 -3.072 -6.588 1.00 0.00 C ATOM 504 SG CYS A 32 -15.251 -2.840 -5.700 1.00 0.00 S ATOM 0 H CYS A 32 -16.785 -5.702 -5.050 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.205 -4.559 -7.291 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.713 -2.632 -7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.592 -2.518 -6.069 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.056 -1.572 -5.489 1.00 0.00 H new ATOM 509 N GLU A 33 -15.585 -6.301 -6.925 1.00 0.00 N ATOM 510 CA GLU A 33 -14.539 -7.095 -7.578 1.00 0.00 C ATOM 511 C GLU A 33 -13.370 -6.209 -8.008 1.00 0.00 C ATOM 512 O GLU A 33 -12.680 -6.490 -8.984 1.00 0.00 O ATOM 513 CB GLU A 33 -15.096 -7.879 -8.767 1.00 0.00 C ATOM 514 CG GLU A 33 -14.262 -9.101 -9.107 1.00 0.00 C ATOM 515 CD GLU A 33 -14.670 -9.755 -10.408 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.129 -9.376 -11.470 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.526 -10.663 -10.379 1.00 0.00 O ATOM 0 H GLU A 33 -15.771 -6.572 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.168 -7.817 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.116 -8.191 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.145 -7.225 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.213 -8.812 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.348 -9.828 -8.299 1.00 0.00 H new ATOM 524 N SER A 34 -13.164 -5.130 -7.273 1.00 0.00 N ATOM 525 CA SER A 34 -11.986 -4.305 -7.446 1.00 0.00 C ATOM 526 C SER A 34 -11.065 -4.478 -6.248 1.00 0.00 C ATOM 527 O SER A 34 -11.538 -4.691 -5.129 1.00 0.00 O ATOM 528 CB SER A 34 -12.376 -2.862 -7.613 1.00 0.00 C ATOM 529 OG SER A 34 -13.413 -2.713 -8.570 1.00 0.00 O ATOM 0 H SER A 34 -13.803 -4.805 -6.547 1.00 0.00 H new ATOM 0 HA SER A 34 -11.458 -4.617 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.703 -2.459 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.507 -2.282 -7.923 1.00 0.00 H new ATOM 0 HG SER A 34 -14.280 -2.698 -8.113 1.00 0.00 H new ATOM 535 N GLY A 35 -9.761 -4.395 -6.475 1.00 0.00 N ATOM 536 CA GLY A 35 -8.804 -4.668 -5.416 1.00 0.00 C ATOM 537 C GLY A 35 -8.510 -3.469 -4.533 1.00 0.00 C ATOM 538 O GLY A 35 -7.419 -3.356 -3.974 1.00 0.00 O ATOM 0 H GLY A 35 -9.347 -4.144 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.184 -5.480 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.872 -5.017 -5.862 1.00 0.00 H new ATOM 542 N PHE A 36 -9.479 -2.574 -4.395 1.00 0.00 N ATOM 543 CA PHE A 36 -9.335 -1.414 -3.519 1.00 0.00 C ATOM 544 C PHE A 36 -9.728 -1.774 -2.087 1.00 0.00 C ATOM 545 O PHE A 36 -10.481 -1.046 -1.436 1.00 0.00 O ATOM 546 CB PHE A 36 -10.197 -0.249 -4.018 1.00 0.00 C ATOM 547 CG PHE A 36 -9.693 0.407 -5.278 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.543 1.185 -5.262 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.381 0.266 -6.473 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.089 1.806 -6.411 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.933 0.888 -7.623 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.788 1.657 -7.593 1.00 0.00 C ATOM 0 H PHE A 36 -10.376 -2.627 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.289 -1.107 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.210 -0.612 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.259 0.503 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.995 1.307 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.277 -0.336 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.191 2.405 -6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.480 0.772 -8.547 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.439 2.142 -8.493 1.00 0.00 H new ATOM 562 N ILE A 37 -9.208 -2.893 -1.604 1.00 0.00 N ATOM 563 CA ILE A 37 -9.518 -3.382 -0.266 1.00 0.00 C ATOM 564 C ILE A 37 -8.292 -3.389 0.620 1.00 0.00 C ATOM 565 O ILE A 37 -7.214 -3.774 0.177 1.00 0.00 O ATOM 566 CB ILE A 37 -10.048 -4.813 -0.286 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.196 -5.732 -1.164 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.464 -4.820 -0.736 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.764 -7.127 -1.297 1.00 0.00 C ATOM 0 H ILE A 37 -8.562 -3.486 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.276 -2.701 0.121 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.990 -5.204 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.101 -5.290 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.192 -5.794 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.837 -5.844 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.066 -4.223 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.529 -4.398 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.112 -7.726 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.834 -7.587 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.757 -7.075 -1.744 1.00 0.00 H new ATOM 581 N GLU A 38 -8.461 -2.989 1.865 1.00 0.00 N ATOM 582 CA GLU A 38 -7.415 -3.143 2.851 1.00 0.00 C ATOM 583 C GLU A 38 -7.946 -3.942 4.024 1.00 0.00 C ATOM 584 O GLU A 38 -9.143 -3.910 4.323 1.00 0.00 O ATOM 585 CB GLU A 38 -6.884 -1.780 3.299 1.00 0.00 C ATOM 586 CG GLU A 38 -7.890 -0.916 4.036 1.00 0.00 C ATOM 587 CD GLU A 38 -7.583 0.558 3.923 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.577 1.000 4.514 1.00 0.00 O ATOM 589 OE2 GLU A 38 -8.352 1.281 3.253 1.00 0.00 O ATOM 0 H GLU A 38 -9.315 -2.555 2.216 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.579 -3.684 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.019 -1.937 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.533 -1.236 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.887 -1.107 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.906 -1.200 5.088 1.00 0.00 H new ATOM 596 N GLU A 39 -7.065 -4.699 4.645 1.00 0.00 N ATOM 597 CA GLU A 39 -7.433 -5.519 5.777 1.00 0.00 C ATOM 598 C GLU A 39 -7.481 -4.658 7.032 1.00 0.00 C ATOM 599 O GLU A 39 -6.576 -3.858 7.279 1.00 0.00 O ATOM 600 CB GLU A 39 -6.425 -6.653 5.938 1.00 0.00 C ATOM 601 CG GLU A 39 -6.732 -7.590 7.070 1.00 0.00 C ATOM 602 CD GLU A 39 -5.666 -8.646 7.264 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.731 -9.696 6.597 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.747 -8.426 8.084 1.00 0.00 O ATOM 0 H GLU A 39 -6.082 -4.762 4.381 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.419 -5.954 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.384 -7.223 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.435 -6.225 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.840 -7.017 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.689 -8.077 6.883 1.00 0.00 H new ATOM 611 N LEU A 40 -8.532 -4.824 7.812 1.00 0.00 N ATOM 612 CA LEU A 40 -8.766 -3.991 8.981 1.00 0.00 C ATOM 613 C LEU A 40 -7.958 -4.489 10.170 1.00 0.00 C ATOM 614 O LEU A 40 -8.324 -5.529 10.750 1.00 0.00 O ATOM 615 CB LEU A 40 -10.266 -3.966 9.309 1.00 0.00 C ATOM 616 CG LEU A 40 -11.132 -3.003 8.471 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.505 -2.703 7.116 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.519 -3.591 8.269 1.00 0.00 C ATOM 619 OXT LEU A 40 -6.956 -3.832 10.523 1.00 0.00 O ATOM 0 H LEU A 40 -9.246 -5.536 7.656 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.439 -2.975 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.660 -4.975 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.382 -3.704 10.361 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.202 -2.066 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.149 -2.021 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.528 -2.242 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.389 -3.631 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.123 -2.904 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.437 -4.545 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.993 -3.747 9.238 1.00 0.00 H new ATOM 855 N MET C 16 15.764 -1.131 -7.855 1.00 0.00 N ATOM 856 CA MET C 16 15.551 -2.571 -7.908 1.00 0.00 C ATOM 857 C MET C 16 14.137 -2.909 -8.365 1.00 0.00 C ATOM 858 O MET C 16 13.957 -3.698 -9.291 1.00 0.00 O ATOM 859 CB MET C 16 15.804 -3.228 -6.539 1.00 0.00 C ATOM 860 CG MET C 16 17.270 -3.320 -6.125 1.00 0.00 C ATOM 861 SD MET C 16 18.004 -1.726 -5.717 1.00 0.00 S ATOM 862 CE MET C 16 19.638 -2.231 -5.181 1.00 0.00 C ATOM 0 HA MET C 16 16.265 -2.964 -8.632 1.00 0.00 H new ATOM 0 HB2 MET C 16 15.263 -2.666 -5.778 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.383 -4.233 -6.553 1.00 0.00 H new ATOM 0 HG2 MET C 16 17.355 -3.981 -5.263 1.00 0.00 H new ATOM 0 HG3 MET C 16 17.840 -3.777 -6.934 1.00 0.00 H new ATOM 0 HE1 MET C 16 20.215 -1.352 -4.895 1.00 0.00 H new ATOM 0 HE2 MET C 16 19.549 -2.901 -4.326 1.00 0.00 H new ATOM 0 HE3 MET C 16 20.145 -2.748 -5.996 1.00 0.00 H new ATOM 872 N LEU C 17 13.126 -2.322 -7.725 1.00 0.00 N ATOM 873 CA LEU C 17 11.754 -2.728 -7.988 1.00 0.00 C ATOM 874 C LEU C 17 11.027 -1.715 -8.839 1.00 0.00 C ATOM 875 O LEU C 17 11.091 -0.513 -8.586 1.00 0.00 O ATOM 876 CB LEU C 17 10.984 -2.881 -6.691 1.00 0.00 C ATOM 877 CG LEU C 17 11.809 -3.238 -5.467 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.023 -2.903 -4.225 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.190 -4.705 -5.465 1.00 0.00 C ATOM 0 H LEU C 17 13.231 -1.579 -7.035 1.00 0.00 H new ATOM 0 HA LEU C 17 11.806 -3.679 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.458 -1.947 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.225 -3.651 -6.830 1.00 0.00 H new ATOM 0 HG LEU C 17 12.732 -2.659 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.611 -3.157 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.796 -1.837 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.093 -3.472 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.780 -4.927 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.287 -5.315 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.778 -4.929 -6.355 1.00 0.00 H new ATOM 891 N GLU C 18 10.304 -2.209 -9.819 1.00 0.00 N ATOM 892 CA GLU C 18 9.428 -1.368 -10.596 1.00 0.00 C ATOM 893 C GLU C 18 8.090 -1.339 -9.912 1.00 0.00 C ATOM 894 O GLU C 18 7.255 -2.218 -10.097 1.00 0.00 O ATOM 895 CB GLU C 18 9.311 -1.870 -12.013 1.00 0.00 C ATOM 896 CG GLU C 18 8.503 -0.969 -12.932 1.00 0.00 C ATOM 897 CD GLU C 18 8.352 -1.545 -14.326 1.00 0.00 C ATOM 898 OE1 GLU C 18 9.251 -1.326 -15.166 1.00 0.00 O ATOM 899 OE2 GLU C 18 7.342 -2.227 -14.590 1.00 0.00 O ATOM 0 H GLU C 18 10.307 -3.191 -10.095 1.00 0.00 H new ATOM 0 HA GLU C 18 9.834 -0.358 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.312 -1.988 -12.428 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.853 -2.859 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.515 -0.808 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU C 18 8.986 0.006 -12.996 1.00 0.00 H new ATOM 906 N VAL C 19 7.903 -0.336 -9.090 1.00 0.00 N ATOM 907 CA VAL C 19 6.739 -0.270 -8.264 1.00 0.00 C ATOM 908 C VAL C 19 5.591 0.227 -9.096 1.00 0.00 C ATOM 909 O VAL C 19 5.724 1.204 -9.808 1.00 0.00 O ATOM 910 CB VAL C 19 6.986 0.668 -7.080 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.677 1.224 -6.530 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.732 -0.037 -5.969 1.00 0.00 C ATOM 0 H VAL C 19 8.549 0.446 -8.980 1.00 0.00 H new ATOM 0 HA VAL C 19 6.506 -1.259 -7.869 1.00 0.00 H new ATOM 0 HB VAL C 19 7.594 1.493 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.887 1.886 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.162 1.782 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.045 0.402 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.892 0.655 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.147 -0.888 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.695 -0.386 -6.342 1.00 0.00 H new ATOM 922 N LEU C 20 4.500 -0.476 -9.078 1.00 0.00 N ATOM 923 CA LEU C 20 3.332 -0.013 -9.737 1.00 0.00 C ATOM 924 C LEU C 20 2.276 0.268 -8.673 1.00 0.00 C ATOM 925 O LEU C 20 2.301 -0.339 -7.609 1.00 0.00 O ATOM 926 CB LEU C 20 2.854 -1.078 -10.718 1.00 0.00 C ATOM 927 CG LEU C 20 3.905 -2.064 -11.248 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.231 -3.163 -12.046 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.938 -1.370 -12.113 1.00 0.00 C ATOM 0 H LEU C 20 4.401 -1.377 -8.610 1.00 0.00 H new ATOM 0 HA LEU C 20 3.530 0.899 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.064 -1.653 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.403 -0.573 -11.572 1.00 0.00 H new ATOM 0 HG LEU C 20 4.417 -2.494 -10.387 1.00 0.00 H new ATOM 0 HD11 LEU C 20 3.985 -3.857 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.528 -3.698 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.695 -2.725 -12.888 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.664 -2.101 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.444 -0.904 -12.966 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.449 -0.606 -11.527 1.00 0.00 H new ATOM 941 N VAL C 21 1.397 1.215 -8.927 1.00 0.00 N ATOM 942 CA VAL C 21 0.302 1.516 -8.016 1.00 0.00 C ATOM 943 C VAL C 21 -0.991 1.685 -8.816 1.00 0.00 C ATOM 944 O VAL C 21 -0.951 2.072 -9.983 1.00 0.00 O ATOM 945 CB VAL C 21 0.560 2.795 -7.195 1.00 0.00 C ATOM 946 CG1 VAL C 21 1.875 2.682 -6.447 1.00 0.00 C ATOM 947 CG2 VAL C 21 0.513 4.029 -8.086 1.00 0.00 C ATOM 0 H VAL C 21 1.417 1.797 -9.764 1.00 0.00 H new ATOM 0 HA VAL C 21 0.218 0.684 -7.317 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.232 2.906 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.045 3.592 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.837 1.827 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.688 2.546 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL C 21 0.698 4.919 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.277 3.949 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL C 21 -0.469 4.104 -8.552 1.00 0.00 H new ATOM 957 N LYS C 22 -2.123 1.379 -8.208 1.00 0.00 N ATOM 958 CA LYS C 22 -3.412 1.617 -8.822 1.00 0.00 C ATOM 959 C LYS C 22 -4.288 2.444 -7.902 1.00 0.00 C ATOM 960 O LYS C 22 -4.911 1.913 -6.981 1.00 0.00 O ATOM 961 CB LYS C 22 -4.138 0.314 -9.134 1.00 0.00 C ATOM 962 CG LYS C 22 -3.535 -0.507 -10.260 1.00 0.00 C ATOM 963 CD LYS C 22 -4.536 -1.508 -10.820 1.00 0.00 C ATOM 964 CE LYS C 22 -5.760 -0.830 -11.420 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.713 -1.814 -11.995 1.00 0.00 N ATOM 0 H LYS C 22 -2.172 0.961 -7.279 1.00 0.00 H new ATOM 0 HA LYS C 22 -3.227 2.151 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.159 -0.297 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -5.173 0.545 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -3.199 0.157 -11.056 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.655 -1.037 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -4.050 -2.116 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.851 -2.185 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -6.263 -0.244 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.445 -0.133 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -7.532 -1.312 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.241 -2.357 -12.746 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -7.034 -2.463 -11.249 1.00 0.00 H new ATOM 979 N THR C 23 -4.306 3.740 -8.127 1.00 0.00 N ATOM 980 CA THR C 23 -5.239 4.605 -7.445 1.00 0.00 C ATOM 981 C THR C 23 -6.494 4.747 -8.302 1.00 0.00 C ATOM 982 O THR C 23 -6.477 4.375 -9.476 1.00 0.00 O ATOM 983 CB THR C 23 -4.625 5.988 -7.190 1.00 0.00 C ATOM 984 OG1 THR C 23 -3.193 5.888 -7.181 1.00 0.00 O ATOM 985 CG2 THR C 23 -5.095 6.563 -5.865 1.00 0.00 C ATOM 0 H THR C 23 -3.683 4.217 -8.779 1.00 0.00 H new ATOM 0 HA THR C 23 -5.489 4.165 -6.479 1.00 0.00 H new ATOM 0 HB THR C 23 -4.949 6.653 -7.990 1.00 0.00 H new ATOM 0 HG1 THR C 23 -2.830 6.459 -6.472 1.00 0.00 H new ATOM 0 HG21 THR C 23 -4.643 7.543 -5.713 1.00 0.00 H new ATOM 0 HG22 THR C 23 -6.180 6.662 -5.876 1.00 0.00 H new ATOM 0 HG23 THR C 23 -4.799 5.897 -5.054 1.00 0.00 H new ATOM 1052 N THR C 28 -3.136 3.243 -13.028 1.00 0.00 N ATOM 1053 CA THR C 28 -1.908 2.486 -12.780 1.00 0.00 C ATOM 1054 C THR C 28 -0.685 3.377 -13.050 1.00 0.00 C ATOM 1055 O THR C 28 -0.497 3.854 -14.173 1.00 0.00 O ATOM 1056 CB THR C 28 -1.814 1.234 -13.678 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.887 0.330 -13.387 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.476 0.536 -13.486 1.00 0.00 C ATOM 0 HA THR C 28 -1.928 2.165 -11.739 1.00 0.00 H new ATOM 0 HB THR C 28 -1.894 1.552 -14.718 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.663 0.836 -13.067 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.429 -0.344 -14.128 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.332 1.219 -13.748 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.370 0.232 -12.445 1.00 0.00 H new ATOM 1066 N ARG C 29 0.131 3.621 -12.029 1.00 0.00 N ATOM 1067 CA ARG C 29 1.333 4.444 -12.189 1.00 0.00 C ATOM 1068 C ARG C 29 2.516 3.799 -11.472 1.00 0.00 C ATOM 1069 O ARG C 29 2.325 3.031 -10.540 1.00 0.00 O ATOM 1070 CB ARG C 29 1.093 5.860 -11.670 1.00 0.00 C ATOM 1071 CG ARG C 29 -0.046 6.570 -12.367 1.00 0.00 C ATOM 1072 CD ARG C 29 -0.238 7.999 -11.881 1.00 0.00 C ATOM 1073 NE ARG C 29 -1.253 8.694 -12.677 1.00 0.00 N ATOM 1074 CZ ARG C 29 -1.997 9.714 -12.247 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -1.857 10.183 -11.016 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -2.893 10.263 -13.058 1.00 0.00 N ATOM 0 H ARG C 29 -0.014 3.264 -11.085 1.00 0.00 H new ATOM 0 HA ARG C 29 1.567 4.510 -13.252 1.00 0.00 H new ATOM 0 HB2 ARG C 29 0.885 5.817 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.005 6.444 -11.794 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.141 6.579 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.968 6.010 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG C 29 -0.535 7.993 -10.832 1.00 0.00 H new ATOM 0 HD3 ARG C 29 0.708 8.537 -11.942 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.402 8.373 -13.634 1.00 0.00 H new ATOM 0 HH11 ARG C 29 -1.174 9.764 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -2.432 10.964 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -3.010 9.905 -14.006 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -3.464 11.043 -12.733 1.00 0.00 H new ATOM 1090 N THR C 30 3.732 4.091 -11.916 1.00 0.00 N ATOM 1091 CA THR C 30 4.900 3.410 -11.453 1.00 0.00 C ATOM 1092 C THR C 30 5.806 4.267 -10.551 1.00 0.00 C ATOM 1093 O THR C 30 5.927 5.477 -10.748 1.00 0.00 O ATOM 1094 CB THR C 30 5.675 2.978 -12.677 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.662 4.021 -13.666 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.108 1.703 -13.266 1.00 0.00 C ATOM 0 H THR C 30 3.920 4.813 -12.611 1.00 0.00 H new ATOM 0 HA THR C 30 4.581 2.569 -10.837 1.00 0.00 H new ATOM 0 HB THR C 30 6.703 2.784 -12.370 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.168 3.731 -14.454 1.00 0.00 H new ATOM 0 HG21 THR C 30 5.687 1.419 -14.145 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.159 0.906 -12.525 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.069 1.865 -13.553 1.00 0.00 H new ATOM 1104 N PHE C 31 6.467 3.607 -9.587 1.00 0.00 N ATOM 1105 CA PHE C 31 7.312 4.270 -8.595 1.00 0.00 C ATOM 1106 C PHE C 31 8.568 3.473 -8.323 1.00 0.00 C ATOM 1107 O PHE C 31 8.769 2.966 -7.221 1.00 0.00 O ATOM 1108 CB PHE C 31 6.559 4.419 -7.293 1.00 0.00 C ATOM 1109 CG PHE C 31 5.375 5.270 -7.433 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.502 6.506 -8.010 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.146 4.842 -6.996 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.405 7.323 -8.156 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.045 5.641 -7.136 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.166 6.891 -7.722 1.00 0.00 C ATOM 0 H PHE C 31 6.427 2.594 -9.478 1.00 0.00 H new ATOM 0 HA PHE C 31 7.584 5.246 -8.997 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.257 3.435 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.222 4.843 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.470 6.841 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.048 3.868 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.511 8.298 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.081 5.298 -6.790 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.298 7.523 -7.839 1.00 0.00 H new ATOM 1124 N ILE C 32 9.400 3.354 -9.322 1.00 0.00 N ATOM 1125 CA ILE C 32 10.586 2.543 -9.213 1.00 0.00 C ATOM 1126 C ILE C 32 11.520 2.978 -8.119 1.00 0.00 C ATOM 1127 O ILE C 32 12.000 4.110 -8.056 1.00 0.00 O ATOM 1128 CB ILE C 32 11.301 2.445 -10.541 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.387 1.765 -11.448 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.500 1.573 -10.431 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.821 2.596 -12.568 1.00 0.00 C ATOM 0 H ILE C 32 9.279 3.810 -10.226 1.00 0.00 H new ATOM 0 HA ILE C 32 10.243 1.549 -8.927 1.00 0.00 H new ATOM 0 HB ILE C 32 11.597 3.440 -10.873 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.908 0.912 -11.884 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.557 1.367 -10.864 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.999 1.517 -11.398 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.186 1.989 -9.693 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.196 0.573 -10.121 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.156 1.983 -13.176 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.263 3.435 -12.152 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.634 2.973 -13.188 1.00 0.00 H new ATOM 1143 N VAL C 33 11.740 2.018 -7.261 1.00 0.00 N ATOM 1144 CA VAL C 33 12.599 2.166 -6.094 1.00 0.00 C ATOM 1145 C VAL C 33 13.584 1.037 -5.990 1.00 0.00 C ATOM 1146 O VAL C 33 13.658 0.178 -6.858 1.00 0.00 O ATOM 1147 CB VAL C 33 11.786 2.203 -4.802 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.030 3.482 -4.751 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.838 1.019 -4.724 1.00 0.00 C ATOM 0 H VAL C 33 11.324 1.090 -7.346 1.00 0.00 H new ATOM 0 HA VAL C 33 13.130 3.109 -6.224 1.00 0.00 H new ATOM 0 HB VAL C 33 12.460 2.139 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.444 3.522 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.728 4.319 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.362 3.544 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.270 1.068 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.152 1.046 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.411 0.092 -4.751 1.00 0.00 H new ATOM 1159 N GLY C 34 14.311 1.025 -4.895 1.00 0.00 N ATOM 1160 CA GLY C 34 15.386 0.068 -4.747 1.00 0.00 C ATOM 1161 C GLY C 34 15.242 -0.857 -3.559 1.00 0.00 C ATOM 1162 O GLY C 34 16.197 -1.060 -2.818 1.00 0.00 O ATOM 0 H GLY C 34 14.181 1.656 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.448 -0.533 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.328 0.609 -4.658 1.00 0.00 H new ATOM 1166 N ALA C 35 14.037 -1.398 -3.379 1.00 0.00 N ATOM 1167 CA ALA C 35 13.759 -2.480 -2.418 1.00 0.00 C ATOM 1168 C ALA C 35 13.880 -2.070 -0.947 1.00 0.00 C ATOM 1169 O ALA C 35 13.098 -2.513 -0.112 1.00 0.00 O ATOM 1170 CB ALA C 35 14.635 -3.688 -2.702 1.00 0.00 C ATOM 0 H ALA C 35 13.213 -1.098 -3.900 1.00 0.00 H new ATOM 0 HA ALA C 35 12.710 -2.737 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.414 -4.475 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.436 -4.053 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.684 -3.404 -2.619 1.00 0.00 H new ATOM 1176 N GLN C 36 14.825 -1.209 -0.634 1.00 0.00 N ATOM 1177 CA GLN C 36 15.126 -0.869 0.742 1.00 0.00 C ATOM 1178 C GLN C 36 15.503 0.579 0.746 1.00 0.00 C ATOM 1179 O GLN C 36 16.167 1.093 1.642 1.00 0.00 O ATOM 1180 CB GLN C 36 16.262 -1.743 1.273 1.00 0.00 C ATOM 1181 CG GLN C 36 17.489 -1.742 0.382 1.00 0.00 C ATOM 1182 CD GLN C 36 18.483 -2.810 0.775 1.00 0.00 C ATOM 1183 OE1 GLN C 36 19.687 -2.654 0.584 1.00 0.00 O ATOM 1184 NE2 GLN C 36 17.983 -3.906 1.323 1.00 0.00 N ATOM 0 H GLN C 36 15.404 -0.727 -1.322 1.00 0.00 H new ATOM 0 HA GLN C 36 14.270 -1.044 1.394 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.544 -1.396 2.267 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.903 -2.766 1.383 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.184 -1.896 -0.653 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.970 -0.765 0.431 1.00 0.00 H new ATOM 0 HE21 GLN C 36 16.976 -3.993 1.463 1.00 0.00 H new ATOM 0 HE22 GLN C 36 18.604 -4.664 1.606 1.00 0.00 H new ATOM 1193 N MET C 37 15.054 1.212 -0.315 1.00 0.00 N ATOM 1194 CA MET C 37 15.359 2.580 -0.596 1.00 0.00 C ATOM 1195 C MET C 37 14.720 3.488 0.443 1.00 0.00 C ATOM 1196 O MET C 37 15.409 4.085 1.266 1.00 0.00 O ATOM 1197 CB MET C 37 14.870 2.914 -1.982 1.00 0.00 C ATOM 1198 CG MET C 37 15.486 4.167 -2.522 1.00 0.00 C ATOM 1199 SD MET C 37 14.354 5.107 -3.565 1.00 0.00 S ATOM 1200 CE MET C 37 15.387 6.502 -4.012 1.00 0.00 C ATOM 0 H MET C 37 14.455 0.773 -1.015 1.00 0.00 H new ATOM 0 HA MET C 37 16.437 2.736 -0.551 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.095 2.085 -2.653 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.786 3.025 -1.964 1.00 0.00 H new ATOM 0 HG2 MET C 37 15.813 4.793 -1.692 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.375 3.911 -3.097 1.00 0.00 H new ATOM 0 HE1 MET C 37 14.827 7.177 -4.659 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.692 7.033 -3.110 1.00 0.00 H new ATOM 0 HE3 MET C 37 16.272 6.145 -4.539 1.00 0.00 H new ATOM 1210 N ASN C 38 13.398 3.581 0.412 1.00 0.00 N ATOM 1211 CA ASN C 38 12.669 4.334 1.412 1.00 0.00 C ATOM 1212 C ASN C 38 11.373 3.660 1.780 1.00 0.00 C ATOM 1213 O ASN C 38 11.373 2.669 2.497 1.00 0.00 O ATOM 1214 CB ASN C 38 12.387 5.748 0.924 1.00 0.00 C ATOM 1215 CG ASN C 38 13.497 6.714 1.277 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.518 7.262 2.376 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.414 6.939 0.350 1.00 0.00 N ATOM 0 H ASN C 38 12.811 3.142 -0.298 1.00 0.00 H new ATOM 0 HA ASN C 38 13.298 4.378 2.301 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.251 5.735 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.452 6.100 1.359 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.177 7.590 0.535 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.358 6.462 -0.550 1.00 0.00 H new ATOM 1224 N VAL C 39 10.307 4.191 1.202 1.00 0.00 N ATOM 1225 CA VAL C 39 8.924 3.941 1.589 1.00 0.00 C ATOM 1226 C VAL C 39 8.392 5.102 2.415 1.00 0.00 C ATOM 1227 O VAL C 39 7.205 5.383 2.416 1.00 0.00 O ATOM 1228 CB VAL C 39 8.662 2.616 2.305 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.789 2.835 3.762 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.276 2.122 1.969 1.00 0.00 C ATOM 0 H VAL C 39 10.384 4.836 0.416 1.00 0.00 H new ATOM 0 HA VAL C 39 8.384 3.855 0.646 1.00 0.00 H new ATOM 0 HB VAL C 39 9.384 1.865 1.984 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.605 1.898 4.288 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.795 3.188 3.991 1.00 0.00 H new ATOM 0 HG13 VAL C 39 8.061 3.580 4.083 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.092 1.177 2.481 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.539 2.858 2.291 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.194 1.973 0.892 1.00 0.00 H new ATOM 1240 N LYS C 40 9.287 5.782 3.100 1.00 0.00 N ATOM 1241 CA LYS C 40 8.947 6.947 3.855 1.00 0.00 C ATOM 1242 C LYS C 40 8.941 8.142 2.939 1.00 0.00 C ATOM 1243 O LYS C 40 7.897 8.688 2.582 1.00 0.00 O ATOM 1244 CB LYS C 40 9.977 7.138 4.964 1.00 0.00 C ATOM 1245 CG LYS C 40 10.542 5.854 5.518 1.00 0.00 C ATOM 1246 CD LYS C 40 11.933 5.556 4.978 1.00 0.00 C ATOM 1247 CE LYS C 40 12.946 6.615 5.404 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.053 6.740 6.884 1.00 0.00 N ATOM 0 H LYS C 40 10.275 5.532 3.142 1.00 0.00 H new ATOM 0 HA LYS C 40 7.959 6.834 4.300 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.797 7.746 4.581 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.517 7.699 5.778 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.582 5.917 6.605 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.874 5.029 5.271 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.259 4.578 5.333 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.897 5.505 3.890 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.924 6.364 4.992 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.660 7.578 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.886 7.315 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.197 7.198 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 13.152 5.795 7.306 1.00 0.00 H new ATOM 1262 N GLU C 41 10.136 8.507 2.544 1.00 0.00 N ATOM 1263 CA GLU C 41 10.360 9.535 1.578 1.00 0.00 C ATOM 1264 C GLU C 41 9.765 9.147 0.230 1.00 0.00 C ATOM 1265 O GLU C 41 9.404 9.998 -0.578 1.00 0.00 O ATOM 1266 CB GLU C 41 11.852 9.765 1.472 1.00 0.00 C ATOM 1267 CG GLU C 41 12.455 10.395 2.721 1.00 0.00 C ATOM 1268 CD GLU C 41 13.917 10.761 2.558 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.209 11.769 1.881 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.782 10.055 3.118 1.00 0.00 O ATOM 0 H GLU C 41 10.994 8.083 2.898 1.00 0.00 H new ATOM 0 HA GLU C 41 9.869 10.457 1.890 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.346 8.813 1.279 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.053 10.408 0.616 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.889 11.291 2.978 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.351 9.702 3.556 1.00 0.00 H new ATOM 1277 N PHE C 42 9.682 7.846 0.002 1.00 0.00 N ATOM 1278 CA PHE C 42 9.024 7.297 -1.162 1.00 0.00 C ATOM 1279 C PHE C 42 7.575 7.745 -1.185 1.00 0.00 C ATOM 1280 O PHE C 42 7.122 8.319 -2.168 1.00 0.00 O ATOM 1281 CB PHE C 42 9.136 5.773 -1.113 1.00 0.00 C ATOM 1282 CG PHE C 42 8.133 5.017 -1.937 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.902 4.675 -1.404 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.427 4.631 -3.228 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.980 3.966 -2.147 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.511 3.921 -3.981 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.285 3.590 -3.439 1.00 0.00 C ATOM 0 H PHE C 42 10.073 7.141 0.626 1.00 0.00 H new ATOM 0 HA PHE C 42 9.498 7.655 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.136 5.490 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.040 5.454 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.660 4.967 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.385 4.887 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE C 42 5.023 3.706 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.754 3.626 -4.991 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.566 3.038 -4.026 1.00 0.00 H new ATOM 1297 N LYS C 43 6.866 7.527 -0.082 1.00 0.00 N ATOM 1298 CA LYS C 43 5.480 7.951 0.008 1.00 0.00 C ATOM 1299 C LYS C 43 5.371 9.462 -0.134 1.00 0.00 C ATOM 1300 O LYS C 43 4.482 9.973 -0.816 1.00 0.00 O ATOM 1301 CB LYS C 43 4.856 7.543 1.331 1.00 0.00 C ATOM 1302 CG LYS C 43 4.526 6.066 1.463 1.00 0.00 C ATOM 1303 CD LYS C 43 4.017 5.740 2.862 1.00 0.00 C ATOM 1304 CE LYS C 43 2.820 6.605 3.236 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.414 6.446 4.659 1.00 0.00 N ATOM 0 H LYS C 43 7.227 7.064 0.752 1.00 0.00 H new ATOM 0 HA LYS C 43 4.944 7.460 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.537 7.820 2.136 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.941 8.118 1.475 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.772 5.791 0.725 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.414 5.471 1.248 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.737 4.688 2.912 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.817 5.892 3.586 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.060 7.651 3.047 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.978 6.350 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 2.043 7.349 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 1.677 5.716 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 3.239 6.162 5.226 1.00 0.00 H new ATOM 1319 N GLU C 44 6.283 10.160 0.531 1.00 0.00 N ATOM 1320 CA GLU C 44 6.358 11.608 0.474 1.00 0.00 C ATOM 1321 C GLU C 44 6.483 12.078 -0.977 1.00 0.00 C ATOM 1322 O GLU C 44 5.847 13.049 -1.386 1.00 0.00 O ATOM 1323 CB GLU C 44 7.558 12.064 1.299 1.00 0.00 C ATOM 1324 CG GLU C 44 7.415 13.437 1.933 1.00 0.00 C ATOM 1325 CD GLU C 44 7.465 14.563 0.926 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.540 14.776 0.324 1.00 0.00 O ATOM 1327 OE2 GLU C 44 6.433 15.244 0.734 1.00 0.00 O ATOM 0 H GLU C 44 6.993 9.733 1.126 1.00 0.00 H new ATOM 0 HA GLU C 44 5.448 12.045 0.885 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.737 11.333 2.087 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.441 12.066 0.659 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.470 13.484 2.475 1.00 0.00 H new ATOM 0 HG3 GLU C 44 8.210 13.577 2.665 1.00 0.00 H new ATOM 1334 N HIS C 45 7.286 11.363 -1.754 1.00 0.00 N ATOM 1335 CA HIS C 45 7.487 11.678 -3.150 1.00 0.00 C ATOM 1336 C HIS C 45 6.237 11.410 -3.981 1.00 0.00 C ATOM 1337 O HIS C 45 5.826 12.250 -4.782 1.00 0.00 O ATOM 1338 CB HIS C 45 8.651 10.862 -3.696 1.00 0.00 C ATOM 1339 CG HIS C 45 9.974 11.551 -3.596 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.159 10.876 -3.411 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.298 12.861 -3.682 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.154 11.741 -3.388 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.660 12.952 -3.551 1.00 0.00 N ATOM 0 H HIS C 45 7.812 10.552 -1.429 1.00 0.00 H new ATOM 0 HA HIS C 45 7.710 12.743 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.703 9.916 -3.157 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.455 10.623 -4.741 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.612 13.682 -3.827 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.198 11.498 -3.258 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.202 13.816 -3.576 1.00 0.00 H new ATOM 1352 N ILE C 46 5.623 10.245 -3.790 1.00 0.00 N ATOM 1353 CA ILE C 46 4.506 9.843 -4.621 1.00 0.00 C ATOM 1354 C ILE C 46 3.228 10.587 -4.236 1.00 0.00 C ATOM 1355 O ILE C 46 2.260 10.572 -4.994 1.00 0.00 O ATOM 1356 CB ILE C 46 4.245 8.321 -4.545 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.400 7.966 -3.330 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.550 7.550 -4.488 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.951 6.522 -3.315 1.00 0.00 C ATOM 0 H ILE C 46 5.883 9.571 -3.070 1.00 0.00 H new ATOM 0 HA ILE C 46 4.780 10.100 -5.644 1.00 0.00 H new ATOM 0 HB ILE C 46 3.701 8.042 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE C 46 3.973 8.171 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.523 8.612 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.340 6.482 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.136 7.760 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.113 7.853 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.353 6.336 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.352 6.318 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.824 5.870 -3.309 1.00 0.00 H new ATOM 1371 N ALA C 47 3.254 11.251 -3.075 1.00 0.00 N ATOM 1372 CA ALA C 47 2.097 11.947 -2.519 1.00 0.00 C ATOM 1373 C ALA C 47 1.293 12.707 -3.567 1.00 0.00 C ATOM 1374 O ALA C 47 0.122 12.414 -3.779 1.00 0.00 O ATOM 1375 CB ALA C 47 2.552 12.902 -1.432 1.00 0.00 C ATOM 0 H ALA C 47 4.089 11.319 -2.492 1.00 0.00 H new ATOM 0 HA ALA C 47 1.436 11.184 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.687 13.421 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.052 12.342 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.244 13.630 -1.854 1.00 0.00 H new ATOM 1381 N ALA C 48 1.916 13.665 -4.234 1.00 0.00 N ATOM 1382 CA ALA C 48 1.209 14.480 -5.213 1.00 0.00 C ATOM 1383 C ALA C 48 0.747 13.654 -6.404 1.00 0.00 C ATOM 1384 O ALA C 48 -0.363 13.833 -6.900 1.00 0.00 O ATOM 1385 CB ALA C 48 2.081 15.614 -5.692 1.00 0.00 C ATOM 0 H ALA C 48 2.902 13.898 -4.118 1.00 0.00 H new ATOM 0 HA ALA C 48 0.328 14.887 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.534 16.210 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.359 16.242 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA C 48 2.982 15.210 -6.155 1.00 0.00 H new ATOM 1391 N SER C 49 1.593 12.737 -6.844 1.00 0.00 N ATOM 1392 CA SER C 49 1.305 11.926 -8.006 1.00 0.00 C ATOM 1393 C SER C 49 0.100 11.012 -7.767 1.00 0.00 C ATOM 1394 O SER C 49 -0.477 10.473 -8.709 1.00 0.00 O ATOM 1395 CB SER C 49 2.540 11.117 -8.358 1.00 0.00 C ATOM 1396 OG SER C 49 3.563 11.310 -7.393 1.00 0.00 O ATOM 0 H SER C 49 2.492 12.538 -6.406 1.00 0.00 H new ATOM 0 HA SER C 49 1.046 12.578 -8.840 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.283 10.059 -8.415 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.903 11.410 -9.343 1.00 0.00 H new ATOM 0 HG SER C 49 4.397 10.910 -7.716 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.256 10.816 -6.502 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.455 10.064 -6.159 1.00 0.00 C ATOM 1404 C VAL C 50 -2.514 10.951 -5.505 1.00 0.00 C ATOM 1405 O VAL C 50 -3.632 10.496 -5.251 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.139 8.860 -5.246 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.346 7.811 -6.014 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.379 9.294 -4.002 1.00 0.00 C ATOM 0 H VAL C 50 0.268 11.167 -5.700 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.857 9.684 -7.098 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.084 8.424 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.129 6.967 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.929 7.467 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.589 8.247 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.172 8.423 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.561 9.763 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.980 10.007 -3.439 1.00 0.00 H new ATOM 1418 N SER C 51 -2.148 12.209 -5.223 1.00 0.00 N ATOM 1419 CA SER C 51 -3.050 13.173 -4.602 1.00 0.00 C ATOM 1420 C SER C 51 -3.305 12.762 -3.159 1.00 0.00 C ATOM 1421 O SER C 51 -4.307 13.139 -2.546 1.00 0.00 O ATOM 1422 CB SER C 51 -4.358 13.297 -5.394 1.00 0.00 C ATOM 1423 OG SER C 51 -5.211 14.289 -4.845 1.00 0.00 O ATOM 0 H SER C 51 -1.219 12.581 -5.421 1.00 0.00 H new ATOM 0 HA SER C 51 -2.584 14.158 -4.609 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.133 13.544 -6.432 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.873 12.336 -5.399 1.00 0.00 H new ATOM 0 HG SER C 51 -5.132 14.284 -3.868 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.377 11.974 -2.630 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.467 11.483 -1.269 1.00 0.00 C ATOM 1431 C ILE C 52 -1.162 11.731 -0.521 1.00 0.00 C ATOM 1432 O ILE C 52 -0.136 11.167 -0.887 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.735 9.965 -1.222 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.948 9.577 -2.068 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.936 9.527 0.220 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.264 9.757 -1.354 1.00 0.00 C ATOM 0 H ILE C 52 -1.547 11.661 -3.133 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.294 12.020 -0.805 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.868 9.455 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.953 10.177 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.849 8.535 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.125 8.454 0.251 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.040 9.754 0.798 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.787 10.058 0.646 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.080 9.462 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.280 9.136 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.385 10.803 -1.072 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.165 12.543 0.549 1.00 0.00 N ATOM 1449 CA PRO C 53 0.047 12.807 1.324 1.00 0.00 C ATOM 1450 C PRO C 53 0.407 11.617 2.201 1.00 0.00 C ATOM 1451 O PRO C 53 -0.471 10.905 2.677 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.318 14.003 2.194 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.704 14.413 1.797 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.329 13.217 1.141 1.00 0.00 C ATOM 0 HA PRO C 53 0.909 12.991 0.683 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.279 13.740 3.251 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.386 14.821 2.044 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.281 14.724 2.668 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.677 15.261 1.113 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.845 12.581 1.861 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.061 13.503 0.386 1.00 0.00 H new ATOM 1462 N SER C 54 1.706 11.429 2.423 1.00 0.00 N ATOM 1463 CA SER C 54 2.228 10.285 3.170 1.00 0.00 C ATOM 1464 C SER C 54 1.597 10.167 4.562 1.00 0.00 C ATOM 1465 O SER C 54 1.518 9.070 5.117 1.00 0.00 O ATOM 1466 CB SER C 54 3.757 10.378 3.288 1.00 0.00 C ATOM 1467 OG SER C 54 4.292 9.248 3.956 1.00 0.00 O ATOM 0 H SER C 54 2.429 12.067 2.089 1.00 0.00 H new ATOM 0 HA SER C 54 1.962 9.386 2.613 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.196 10.457 2.294 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.028 11.285 3.829 1.00 0.00 H new ATOM 0 HG SER C 54 5.266 9.334 4.015 1.00 0.00 H new ATOM 1473 N GLU C 55 1.134 11.290 5.111 1.00 0.00 N ATOM 1474 CA GLU C 55 0.518 11.295 6.437 1.00 0.00 C ATOM 1475 C GLU C 55 -0.832 10.561 6.437 1.00 0.00 C ATOM 1476 O GLU C 55 -1.278 10.067 7.473 1.00 0.00 O ATOM 1477 CB GLU C 55 0.339 12.727 6.934 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.528 13.543 6.038 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.765 14.949 6.543 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -1.636 15.130 7.417 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -0.094 15.882 6.056 1.00 0.00 O ATOM 0 H GLU C 55 1.174 12.204 4.660 1.00 0.00 H new ATOM 0 HA GLU C 55 1.187 10.763 7.114 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.094 12.709 7.934 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.316 13.203 7.019 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.071 13.593 5.050 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.488 13.041 5.920 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.471 10.494 5.274 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.765 9.822 5.135 1.00 0.00 C ATOM 1490 C LYS C 56 -2.641 8.618 4.219 1.00 0.00 C ATOM 1491 O LYS C 56 -3.496 7.731 4.204 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.795 10.775 4.534 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.120 11.968 5.409 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.056 12.932 4.701 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.534 14.019 5.649 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.557 14.895 5.023 1.00 0.00 N ATOM 0 H LYS C 56 -1.114 10.898 4.408 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.084 9.503 6.127 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.425 11.133 3.573 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.713 10.222 4.336 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.579 11.627 6.337 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.199 12.485 5.680 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.544 13.384 3.851 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.913 12.388 4.304 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -5.950 13.560 6.546 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -4.684 14.624 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -6.855 15.622 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -6.153 15.354 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.380 14.323 4.744 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.565 8.613 3.458 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.365 7.667 2.379 1.00 0.00 C ATOM 1512 C GLN C 57 -1.213 6.249 2.900 1.00 0.00 C ATOM 1513 O GLN C 57 -0.296 5.947 3.667 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.116 8.062 1.606 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.032 7.482 0.215 1.00 0.00 C ATOM 1516 CD GLN C 57 1.310 7.753 -0.414 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.213 6.932 -0.333 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.468 8.927 -1.003 1.00 0.00 N ATOM 0 H GLN C 57 -0.796 9.273 3.573 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.241 7.691 1.731 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.076 9.149 1.536 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.761 7.746 2.171 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.205 6.407 0.257 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.819 7.908 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.689 9.583 -1.049 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.369 9.176 -1.411 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.113 5.387 2.482 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.039 3.987 2.837 1.00 0.00 C ATOM 1529 C ARG C 58 -1.793 3.155 1.588 1.00 0.00 C ATOM 1530 O ARG C 58 -2.642 3.097 0.698 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.330 3.549 3.533 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.674 4.382 4.759 1.00 0.00 C ATOM 1533 CD ARG C 58 -2.594 4.292 5.829 1.00 0.00 C ATOM 1534 NE ARG C 58 -2.800 5.270 6.897 1.00 0.00 N ATOM 1535 CZ ARG C 58 -2.100 5.302 8.033 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -1.204 4.360 8.297 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -2.322 6.268 8.914 1.00 0.00 N ATOM 0 H ARG C 58 -2.909 5.633 1.893 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.211 3.835 3.529 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.154 3.607 2.822 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.237 2.504 3.829 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -3.807 5.423 4.465 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -4.624 4.044 5.173 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -2.586 3.288 6.253 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -1.617 4.453 5.373 1.00 0.00 H new ATOM 0 HE ARG C 58 -3.526 5.974 6.765 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -1.046 3.605 7.630 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -0.673 4.391 9.167 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -3.025 6.982 8.722 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -1.790 6.297 9.784 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.624 2.530 1.518 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.267 1.686 0.404 1.00 0.00 C ATOM 1553 C LEU C 59 -0.867 0.311 0.615 1.00 0.00 C ATOM 1554 O LEU C 59 -0.394 -0.444 1.445 1.00 0.00 O ATOM 1555 CB LEU C 59 1.244 1.560 0.360 1.00 0.00 C ATOM 1556 CG LEU C 59 2.025 2.874 0.331 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.513 2.608 0.491 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.758 3.619 -0.965 1.00 0.00 C ATOM 0 H LEU C 59 0.097 2.599 2.236 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.639 2.114 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.567 0.988 1.230 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.515 0.980 -0.522 1.00 0.00 H new ATOM 0 HG LEU C 59 1.692 3.494 1.163 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.056 3.553 0.468 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.693 2.109 1.443 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.858 1.971 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.321 4.552 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.068 3.003 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.693 3.837 -1.047 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.912 -0.020 -0.101 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.545 -1.303 0.107 1.00 0.00 C ATOM 1572 C ILE C 60 -2.146 -2.276 -0.980 1.00 0.00 C ATOM 1573 O ILE C 60 -2.633 -2.219 -2.113 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.070 -1.189 0.138 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.495 -0.015 1.017 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.660 -2.489 0.655 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.877 0.499 0.693 1.00 0.00 C ATOM 0 H ILE C 60 -2.338 0.566 -0.820 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.205 -1.669 1.076 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.442 -1.007 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.464 -0.322 2.062 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.776 0.796 0.902 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.747 -2.411 0.678 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.369 -3.308 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.288 -2.682 1.661 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.119 1.332 1.352 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.906 0.836 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.605 -0.300 0.836 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.260 -3.170 -0.627 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.858 -4.220 -1.523 1.00 0.00 C ATOM 1591 C TYR C 61 -1.215 -5.554 -0.897 1.00 0.00 C ATOM 1592 O TYR C 61 -0.937 -5.776 0.279 1.00 0.00 O ATOM 1593 CB TYR C 61 0.631 -4.135 -1.841 1.00 0.00 C ATOM 1594 CG TYR C 61 1.044 -5.206 -2.799 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.527 -5.210 -4.078 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.909 -6.224 -2.427 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.848 -6.195 -4.968 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.250 -7.219 -3.318 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.715 -7.204 -4.589 1.00 0.00 C ATOM 1600 OH TYR C 61 2.034 -8.206 -5.475 1.00 0.00 O ATOM 0 H TYR C 61 -0.800 -3.191 0.283 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.386 -4.113 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.859 -3.157 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.207 -4.226 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.144 -4.420 -4.381 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.320 -6.237 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.427 -6.186 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.931 -8.004 -3.023 1.00 0.00 H new ATOM 0 HH TYR C 61 2.656 -8.833 -5.050 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.843 -6.424 -1.693 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.431 -7.678 -1.214 1.00 0.00 C ATOM 1612 C GLN C 62 -3.139 -7.494 0.132 1.00 0.00 C ATOM 1613 O GLN C 62 -2.967 -8.285 1.060 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.394 -8.817 -1.161 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.092 -8.469 -0.461 1.00 0.00 C ATOM 1616 CD GLN C 62 0.812 -9.659 -0.264 1.00 0.00 C ATOM 1617 OE1 GLN C 62 2.034 -9.530 -0.245 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.226 -10.828 -0.119 1.00 0.00 N ATOM 0 H GLN C 62 -1.958 -6.277 -2.696 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.189 -7.971 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -1.842 -9.673 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.168 -9.130 -2.180 1.00 0.00 H new ATOM 0 HG2 GLN C 62 0.435 -7.713 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.316 -8.026 0.509 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.792 -10.895 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN C 62 0.789 -11.668 0.015 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.927 -6.422 0.224 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.739 -6.160 1.403 1.00 0.00 C ATOM 1629 C GLY C 63 -3.937 -5.677 2.601 1.00 0.00 C ATOM 1630 O GLY C 63 -4.508 -5.299 3.624 1.00 0.00 O ATOM 0 H GLY C 63 -4.017 -5.720 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.493 -5.412 1.156 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.272 -7.071 1.677 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.622 -5.678 2.474 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.744 -5.238 3.544 1.00 0.00 C ATOM 1636 C ARG C 64 -1.553 -3.736 3.440 1.00 0.00 C ATOM 1637 O ARG C 64 -1.247 -3.222 2.365 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.390 -5.945 3.438 1.00 0.00 C ATOM 1639 CG ARG C 64 0.535 -5.728 4.630 1.00 0.00 C ATOM 1640 CD ARG C 64 0.148 -6.597 5.818 1.00 0.00 C ATOM 1641 NE ARG C 64 -1.065 -6.137 6.491 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.059 -6.941 6.872 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -2.023 -8.239 6.587 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.090 -6.447 7.539 1.00 0.00 N ATOM 0 H ARG C 64 -2.135 -5.982 1.631 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.191 -5.486 4.507 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.562 -7.015 3.319 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.115 -5.601 2.536 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.561 -5.950 4.338 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.507 -4.679 4.924 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.002 -7.622 5.479 1.00 0.00 H new ATOM 0 HD3 ARG C 64 0.970 -6.612 6.533 1.00 0.00 H new ATOM 0 HE ARG C 64 -1.157 -5.139 6.681 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.231 -8.627 6.074 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.787 -8.847 6.882 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -3.124 -5.452 7.761 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -3.850 -7.061 7.831 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.748 -3.035 4.539 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.612 -1.594 4.534 1.00 0.00 C ATOM 1660 C VAL C 65 -0.158 -1.208 4.798 1.00 0.00 C ATOM 1661 O VAL C 65 0.256 -1.033 5.947 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.532 -0.940 5.587 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.904 0.467 5.172 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.791 -1.763 5.800 1.00 0.00 C ATOM 0 H VAL C 65 -2.000 -3.438 5.442 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.912 -1.229 3.552 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.981 -0.899 6.527 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.553 0.910 5.928 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.000 1.068 5.072 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.428 0.438 4.216 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.420 -1.279 6.547 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.338 -1.841 4.860 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.520 -2.760 6.146 1.00 0.00 H new ATOM 1674 N LEU C 66 0.608 -1.095 3.721 1.00 0.00 N ATOM 1675 CA LEU C 66 2.018 -0.742 3.795 1.00 0.00 C ATOM 1676 C LEU C 66 2.144 0.748 4.047 1.00 0.00 C ATOM 1677 O LEU C 66 1.239 1.520 3.719 1.00 0.00 O ATOM 1678 CB LEU C 66 2.755 -1.076 2.489 1.00 0.00 C ATOM 1679 CG LEU C 66 2.015 -1.970 1.493 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.728 -1.935 0.157 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.910 -3.401 2.002 1.00 0.00 C ATOM 0 H LEU C 66 0.268 -1.246 2.771 1.00 0.00 H new ATOM 0 HA LEU C 66 2.466 -1.318 4.605 1.00 0.00 H new ATOM 0 HB2 LEU C 66 3.001 -0.140 1.988 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.698 -1.559 2.744 1.00 0.00 H new ATOM 0 HG LEU C 66 1.001 -1.589 1.374 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.201 -2.572 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.748 -0.912 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.749 -2.296 0.280 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.379 -4.009 1.270 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.910 -3.807 2.154 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.366 -3.412 2.947 1.00 0.00 H new ATOM 1693 N GLN C 67 3.259 1.163 4.617 1.00 0.00 N ATOM 1694 CA GLN C 67 3.459 2.564 4.905 1.00 0.00 C ATOM 1695 C GLN C 67 4.939 2.885 5.094 1.00 0.00 C ATOM 1696 O GLN C 67 5.805 2.050 4.835 1.00 0.00 O ATOM 1697 CB GLN C 67 2.663 2.941 6.154 1.00 0.00 C ATOM 1698 CG GLN C 67 2.994 2.080 7.353 1.00 0.00 C ATOM 1699 CD GLN C 67 1.937 2.165 8.428 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.999 3.017 9.313 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.959 1.280 8.355 1.00 0.00 N ATOM 0 H GLN C 67 4.032 0.554 4.886 1.00 0.00 H new ATOM 0 HA GLN C 67 3.104 3.150 4.057 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.857 3.985 6.400 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.598 2.857 5.937 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.103 1.043 7.034 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.954 2.389 7.766 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.949 0.592 7.602 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.214 1.285 9.051 1.00 0.00 H new ATOM 1710 N ASP C 68 5.190 4.093 5.577 1.00 0.00 N ATOM 1711 CA ASP C 68 6.522 4.637 5.840 1.00 0.00 C ATOM 1712 C ASP C 68 7.306 3.833 6.892 1.00 0.00 C ATOM 1713 O ASP C 68 8.424 4.195 7.254 1.00 0.00 O ATOM 1714 CB ASP C 68 6.397 6.105 6.254 1.00 0.00 C ATOM 1715 CG ASP C 68 5.261 6.341 7.228 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.088 6.229 6.806 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.527 6.634 8.410 1.00 0.00 O ATOM 0 H ASP C 68 4.444 4.750 5.807 1.00 0.00 H new ATOM 0 HA ASP C 68 7.097 4.560 4.917 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.333 6.432 6.707 1.00 0.00 H new ATOM 0 HB3 ASP C 68 6.242 6.717 5.366 1.00 0.00 H new ATOM 1722 N ASP C 69 6.695 2.760 7.390 1.00 0.00 N ATOM 1723 CA ASP C 69 7.269 1.890 8.433 1.00 0.00 C ATOM 1724 C ASP C 69 8.527 1.145 7.970 1.00 0.00 C ATOM 1725 O ASP C 69 9.003 0.226 8.638 1.00 0.00 O ATOM 1726 CB ASP C 69 6.218 0.881 8.843 1.00 0.00 C ATOM 1727 CG ASP C 69 6.490 0.247 10.193 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.446 0.964 11.215 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.731 -0.976 10.242 1.00 0.00 O ATOM 0 H ASP C 69 5.771 2.459 7.080 1.00 0.00 H new ATOM 0 HA ASP C 69 7.567 2.525 9.267 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.245 1.371 8.869 1.00 0.00 H new ATOM 0 HB3 ASP C 69 6.161 0.098 8.087 1.00 0.00 H new ATOM 1734 N LYS C 70 9.015 1.541 6.808 1.00 0.00 N ATOM 1735 CA LYS C 70 10.321 1.122 6.265 1.00 0.00 C ATOM 1736 C LYS C 70 10.278 -0.218 5.529 1.00 0.00 C ATOM 1737 O LYS C 70 9.362 -1.024 5.711 1.00 0.00 O ATOM 1738 CB LYS C 70 11.397 1.059 7.357 1.00 0.00 C ATOM 1739 CG LYS C 70 11.515 2.328 8.177 1.00 0.00 C ATOM 1740 CD LYS C 70 12.694 2.251 9.134 1.00 0.00 C ATOM 1741 CE LYS C 70 12.722 3.429 10.092 1.00 0.00 C ATOM 1742 NZ LYS C 70 11.487 3.507 10.913 1.00 0.00 N ATOM 0 H LYS C 70 8.512 2.178 6.191 1.00 0.00 H new ATOM 0 HA LYS C 70 10.579 1.892 5.537 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.175 0.226 8.024 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.360 0.847 6.893 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.636 3.184 7.513 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.595 2.488 8.740 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.641 1.322 9.702 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.623 2.224 8.564 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.588 3.343 10.748 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.841 4.353 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 11.659 4.111 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 10.717 3.912 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 11.219 2.553 11.229 1.00 0.00 H new ATOM 1756 N LYS C 71 11.298 -0.411 4.684 1.00 0.00 N ATOM 1757 CA LYS C 71 11.552 -1.671 3.981 1.00 0.00 C ATOM 1758 C LYS C 71 10.489 -1.996 2.938 1.00 0.00 C ATOM 1759 O LYS C 71 9.517 -2.698 3.214 1.00 0.00 O ATOM 1760 CB LYS C 71 11.695 -2.833 4.962 1.00 0.00 C ATOM 1761 CG LYS C 71 12.963 -2.787 5.793 1.00 0.00 C ATOM 1762 CD LYS C 71 13.125 -4.056 6.608 1.00 0.00 C ATOM 1763 CE LYS C 71 14.455 -4.089 7.338 1.00 0.00 C ATOM 1764 NZ LYS C 71 14.660 -5.375 8.052 1.00 0.00 N ATOM 0 H LYS C 71 11.980 0.316 4.467 1.00 0.00 H new ATOM 0 HA LYS C 71 12.494 -1.533 3.450 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.834 -2.838 5.631 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.672 -3.770 4.405 1.00 0.00 H new ATOM 0 HG2 LYS C 71 13.826 -2.658 5.140 1.00 0.00 H new ATOM 0 HG3 LYS C 71 12.935 -1.924 6.459 1.00 0.00 H new ATOM 0 HD2 LYS C 71 12.312 -4.131 7.330 1.00 0.00 H new ATOM 0 HD3 LYS C 71 13.049 -4.922 5.951 1.00 0.00 H new ATOM 0 HE2 LYS C 71 15.265 -3.936 6.625 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.499 -3.266 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 15.579 -5.359 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 13.901 -5.509 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 14.644 -6.158 7.368 1.00 0.00 H new ATOM 1778 N LEU C 72 10.719 -1.520 1.720 1.00 0.00 N ATOM 1779 CA LEU C 72 9.808 -1.754 0.601 1.00 0.00 C ATOM 1780 C LEU C 72 9.719 -3.240 0.250 1.00 0.00 C ATOM 1781 O LEU C 72 8.659 -3.743 -0.119 1.00 0.00 O ATOM 1782 CB LEU C 72 10.289 -0.965 -0.616 1.00 0.00 C ATOM 1783 CG LEU C 72 10.144 0.555 -0.501 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.210 1.268 -1.315 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.763 0.981 -0.964 1.00 0.00 C ATOM 0 H LEU C 72 11.538 -0.963 1.479 1.00 0.00 H new ATOM 0 HA LEU C 72 8.813 -1.420 0.896 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.338 -1.202 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.734 -1.303 -1.491 1.00 0.00 H new ATOM 0 HG LEU C 72 10.274 0.832 0.545 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.083 2.346 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.197 0.983 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.115 0.987 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.669 2.064 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.620 0.685 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.007 0.501 -0.343 1.00 0.00 H new ATOM 1797 N GLN C 73 10.844 -3.935 0.372 1.00 0.00 N ATOM 1798 CA GLN C 73 10.943 -5.331 0.030 1.00 0.00 C ATOM 1799 C GLN C 73 10.126 -6.216 0.951 1.00 0.00 C ATOM 1800 O GLN C 73 9.743 -7.313 0.573 1.00 0.00 O ATOM 1801 CB GLN C 73 12.394 -5.736 0.092 1.00 0.00 C ATOM 1802 CG GLN C 73 13.089 -5.334 1.387 1.00 0.00 C ATOM 1803 CD GLN C 73 14.589 -5.549 1.357 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.340 -4.814 1.993 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.043 -6.557 0.631 1.00 0.00 N ATOM 0 H GLN C 73 11.716 -3.533 0.715 1.00 0.00 H new ATOM 0 HA GLN C 73 10.541 -5.463 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.465 -6.817 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.923 -5.287 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.884 -4.283 1.589 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.664 -5.906 2.212 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.391 -7.148 0.115 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.045 -6.743 0.587 1.00 0.00 H new ATOM 1814 N GLU C 74 9.867 -5.746 2.159 1.00 0.00 N ATOM 1815 CA GLU C 74 9.030 -6.487 3.090 1.00 0.00 C ATOM 1816 C GLU C 74 7.636 -6.637 2.513 1.00 0.00 C ATOM 1817 O GLU C 74 6.923 -7.592 2.810 1.00 0.00 O ATOM 1818 CB GLU C 74 8.974 -5.788 4.442 1.00 0.00 C ATOM 1819 CG GLU C 74 10.288 -5.852 5.194 1.00 0.00 C ATOM 1820 CD GLU C 74 10.587 -7.232 5.738 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.994 -7.605 6.771 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.419 -7.950 5.144 1.00 0.00 O ATOM 0 H GLU C 74 10.222 -4.860 2.518 1.00 0.00 H new ATOM 0 HA GLU C 74 9.463 -7.476 3.241 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.696 -4.744 4.295 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.191 -6.244 5.049 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.096 -5.545 4.530 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.265 -5.139 6.018 1.00 0.00 H new ATOM 1829 N TYR C 75 7.262 -5.680 1.678 1.00 0.00 N ATOM 1830 CA TYR C 75 5.955 -5.693 1.059 1.00 0.00 C ATOM 1831 C TYR C 75 6.012 -6.362 -0.315 1.00 0.00 C ATOM 1832 O TYR C 75 4.982 -6.699 -0.899 1.00 0.00 O ATOM 1833 CB TYR C 75 5.419 -4.269 0.928 1.00 0.00 C ATOM 1834 CG TYR C 75 5.635 -3.414 2.162 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.948 -3.655 3.345 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.530 -2.358 2.131 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.148 -2.864 4.462 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.736 -1.559 3.242 1.00 0.00 C ATOM 1839 CZ TYR C 75 6.043 -1.817 4.405 1.00 0.00 C ATOM 1840 OH TYR C 75 6.240 -1.020 5.514 1.00 0.00 O ATOM 0 H TYR C 75 7.848 -4.887 1.416 1.00 0.00 H new ATOM 0 HA TYR C 75 5.281 -6.268 1.694 1.00 0.00 H new ATOM 0 HB2 TYR C 75 5.899 -3.788 0.076 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.352 -4.312 0.710 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.246 -4.474 3.393 1.00 0.00 H new ATOM 0 HD2 TYR C 75 7.078 -2.154 1.223 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.606 -3.066 5.374 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.436 -0.738 3.198 1.00 0.00 H new ATOM 0 HH TYR C 75 7.201 -0.911 5.672 1.00 0.00 H new ATOM 1850 N ASN C 76 7.254 -6.570 -0.800 1.00 0.00 N ATOM 1851 CA ASN C 76 7.539 -7.199 -2.060 1.00 0.00 C ATOM 1852 C ASN C 76 6.711 -6.645 -3.213 1.00 0.00 C ATOM 1853 O ASN C 76 6.211 -7.397 -4.048 1.00 0.00 O ATOM 1854 CB ASN C 76 7.351 -8.691 -1.943 1.00 0.00 C ATOM 1855 CG ASN C 76 7.904 -9.291 -0.664 1.00 0.00 C ATOM 1856 OD1 ASN C 76 7.220 -9.364 0.356 1.00 0.00 O ATOM 1857 ND2 ASN C 76 9.146 -9.745 -0.719 1.00 0.00 N ATOM 0 H ASN C 76 8.094 -6.289 -0.294 1.00 0.00 H new ATOM 0 HA ASN C 76 8.579 -6.974 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN C 76 6.287 -8.917 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN C 76 7.831 -9.174 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN C 76 9.569 -10.174 0.104 1.00 0.00 H new ATOM 0 HD22 ASN C 76 9.680 -9.666 -1.584 1.00 0.00 H new ATOM 1864 N VAL C 77 6.612 -5.328 -3.286 1.00 0.00 N ATOM 1865 CA VAL C 77 5.783 -4.679 -4.300 1.00 0.00 C ATOM 1866 C VAL C 77 6.541 -4.462 -5.613 1.00 0.00 C ATOM 1867 O VAL C 77 6.144 -3.642 -6.444 1.00 0.00 O ATOM 1868 CB VAL C 77 5.244 -3.330 -3.788 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.338 -3.550 -2.592 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.385 -2.393 -3.423 1.00 0.00 C ATOM 0 H VAL C 77 7.093 -4.684 -2.658 1.00 0.00 H new ATOM 0 HA VAL C 77 4.948 -5.351 -4.498 1.00 0.00 H new ATOM 0 HB VAL C 77 4.667 -2.865 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.963 -2.590 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.499 -4.183 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.900 -4.036 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.979 -1.447 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.993 -2.847 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.003 -2.212 -4.303 1.00 0.00 H new ATOM 1880 N GLY C 78 7.623 -5.203 -5.800 1.00 0.00 N ATOM 1881 CA GLY C 78 8.410 -5.084 -6.987 1.00 0.00 C ATOM 1882 C GLY C 78 7.763 -5.704 -8.179 1.00 0.00 C ATOM 1883 O GLY C 78 7.737 -6.919 -8.371 1.00 0.00 O ATOM 0 H GLY C 78 7.966 -5.893 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.596 -4.029 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.380 -5.553 -6.822 1.00 0.00 H new ATOM 1887 N GLY C 79 7.235 -4.825 -8.950 1.00 0.00 N ATOM 1888 CA GLY C 79 6.672 -5.167 -10.240 1.00 0.00 C ATOM 1889 C GLY C 79 5.180 -5.431 -10.211 1.00 0.00 C ATOM 1890 O GLY C 79 4.624 -5.985 -11.160 1.00 0.00 O ATOM 0 H GLY C 79 7.172 -3.834 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY C 79 6.873 -4.356 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.180 -6.052 -10.623 1.00 0.00 H new ATOM 1894 N LYS C 80 4.529 -5.056 -9.122 1.00 0.00 N ATOM 1895 CA LYS C 80 3.079 -5.241 -8.983 1.00 0.00 C ATOM 1896 C LYS C 80 2.413 -3.923 -8.588 1.00 0.00 C ATOM 1897 O LYS C 80 3.066 -3.063 -7.997 1.00 0.00 O ATOM 1898 CB LYS C 80 2.786 -6.308 -7.927 1.00 0.00 C ATOM 1899 CG LYS C 80 3.495 -7.635 -8.165 1.00 0.00 C ATOM 1900 CD LYS C 80 3.073 -8.280 -9.476 1.00 0.00 C ATOM 1901 CE LYS C 80 3.810 -9.588 -9.710 1.00 0.00 C ATOM 1902 NZ LYS C 80 5.287 -9.411 -9.676 1.00 0.00 N ATOM 0 H LYS C 80 4.976 -4.620 -8.315 1.00 0.00 H new ATOM 0 HA LYS C 80 2.675 -5.567 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.076 -5.924 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.711 -6.484 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS C 80 4.573 -7.474 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.279 -8.314 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS C 80 1.998 -8.463 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.271 -7.596 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS C 80 3.514 -10.311 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS C 80 3.517 -10.001 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 5.746 -10.235 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 5.546 -8.551 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 5.604 -9.323 -8.689 1.00 0.00 H new ATOM 1916 N VAL C 81 1.122 -3.755 -8.911 1.00 0.00 N ATOM 1917 CA VAL C 81 0.438 -2.496 -8.617 1.00 0.00 C ATOM 1918 C VAL C 81 -0.151 -2.476 -7.209 1.00 0.00 C ATOM 1919 O VAL C 81 -0.940 -3.343 -6.821 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.661 -2.106 -9.632 1.00 0.00 C ATOM 1921 CG1 VAL C 81 -0.131 -1.898 -11.032 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.746 -3.119 -9.671 1.00 0.00 C ATOM 0 H VAL C 81 0.544 -4.461 -9.366 1.00 0.00 H new ATOM 0 HA VAL C 81 1.227 -1.749 -8.698 1.00 0.00 H new ATOM 0 HB VAL C 81 -1.056 -1.154 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.952 -1.627 -11.695 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.610 -1.098 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.332 -2.819 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.502 -2.814 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.332 -4.084 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.201 -3.203 -8.684 1.00 0.00 H new ATOM 1932 N ILE C 82 0.267 -1.482 -6.444 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.261 -1.246 -5.117 1.00 0.00 C ATOM 1934 C ILE C 82 -1.504 -0.382 -5.186 1.00 0.00 C ATOM 1935 O ILE C 82 -1.518 0.631 -5.864 1.00 0.00 O ATOM 1936 CB ILE C 82 0.742 -0.496 -4.232 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.053 -1.196 -4.176 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.194 -0.291 -2.828 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.108 -0.362 -3.499 1.00 0.00 C ATOM 0 H ILE C 82 0.984 -0.816 -6.729 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.478 -2.227 -4.695 1.00 0.00 H new ATOM 0 HB ILE C 82 0.899 0.482 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.938 -2.139 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.377 -1.440 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.928 0.243 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.727 0.290 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.013 -1.260 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.049 -0.911 -3.480 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.243 0.570 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.797 -0.140 -2.478 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.524 -0.743 -4.458 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.724 0.072 -4.418 1.00 0.00 C ATOM 1953 C HIS C 83 -3.650 1.021 -3.234 1.00 0.00 C ATOM 1954 O HIS C 83 -3.663 0.577 -2.102 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.963 -0.809 -4.274 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.220 -1.701 -5.451 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.867 -3.032 -5.475 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.818 -1.453 -6.640 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.229 -3.562 -6.628 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.810 -2.629 -7.355 1.00 0.00 N ATOM 0 H HIS C 83 -2.557 -1.587 -3.886 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.795 0.637 -5.348 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.856 -1.425 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.833 -0.171 -4.118 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -6.226 -0.508 -6.967 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.075 -4.589 -6.926 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -6.191 -2.757 -8.293 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.581 2.318 -3.464 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.461 3.226 -2.331 1.00 0.00 C ATOM 1971 C LEU C 84 -4.495 4.325 -2.328 1.00 0.00 C ATOM 1972 O LEU C 84 -5.052 4.686 -3.362 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.093 3.836 -2.242 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.708 4.717 -3.393 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -1.885 6.185 -3.044 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -0.299 4.391 -3.717 1.00 0.00 C ATOM 0 H LEU C 84 -3.604 2.757 -4.384 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.637 2.601 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.032 4.419 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -1.360 3.034 -2.159 1.00 0.00 H new ATOM 0 HG LEU C 84 -2.349 4.541 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -1.598 6.799 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -2.929 6.376 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.256 6.434 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.034 5.007 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU C 84 0.329 4.588 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -0.222 3.338 -3.989 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.714 4.841 -1.131 1.00 0.00 N ATOM 1989 CA VAL C 85 -5.697 5.899 -0.862 1.00 0.00 C ATOM 1990 C VAL C 85 -5.372 6.610 0.443 1.00 0.00 C ATOM 1991 O VAL C 85 -4.344 6.348 1.073 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.140 5.366 -0.740 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.722 5.014 -2.101 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -7.181 4.174 0.205 1.00 0.00 C ATOM 0 H VAL C 85 -4.209 4.537 -0.298 1.00 0.00 H new ATOM 0 HA VAL C 85 -5.638 6.576 -1.715 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.762 6.158 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.739 4.642 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.735 5.903 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -7.109 4.245 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -8.204 3.807 0.283 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.539 3.382 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.829 4.479 1.190 1.00 0.00 H new