USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 632 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 37 GLN : amide:sc= -0.317 X(o=-0.16,f=-0.55) USER MOD Set 1.2: A 53 SER OG : rot 58:sc= 0.16 USER MOD Set 2.1: A 25 GLN : amide:sc= -2 K(o=-3.8,f=-10!) USER MOD Set 2.2: A 77 GLN : amide:sc= -1.81! C(o=-3.8!,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 38:sc= -3! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.89 K(o=-0.89,f=0.57) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.607 K(o=-0.61,f=-3.5!) USER MOD Single : A 76 MET CE :methyl 168:sc= -6.93! (180deg=-7.19!) USER MOD Single : A 78 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.88) USER MOD Single : A 81 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.1!) USER MOD Single : A 91 TYR OH : rot 62:sc= 0.756 USER MOD Single : A 92 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.307 2.475 -7.052 1.00 0.00 N ATOM 213 CA VAL A 18 -7.924 1.755 -5.850 1.00 0.00 C ATOM 214 C VAL A 18 -8.717 0.449 -5.769 1.00 0.00 C ATOM 215 O VAL A 18 -9.900 0.415 -6.103 1.00 0.00 O ATOM 216 CB VAL A 18 -8.115 2.648 -4.622 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.951 1.845 -3.330 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.152 3.837 -4.654 1.00 0.00 C ATOM 0 HA VAL A 18 -6.867 1.492 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.132 3.039 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.092 2.503 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.693 1.047 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.951 1.412 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.308 4.456 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.125 3.473 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.336 4.430 -5.550 1.00 0.00 H new ATOM 228 N SER A 19 -8.033 -0.594 -5.322 1.00 0.00 N ATOM 229 CA SER A 19 -8.659 -1.899 -5.193 1.00 0.00 C ATOM 230 C SER A 19 -9.257 -2.056 -3.794 1.00 0.00 C ATOM 231 O SER A 19 -8.818 -1.401 -2.850 1.00 0.00 O ATOM 232 CB SER A 19 -7.656 -3.021 -5.471 1.00 0.00 C ATOM 233 OG SER A 19 -7.997 -3.766 -6.637 1.00 0.00 O ATOM 0 H SER A 19 -7.052 -0.562 -5.045 1.00 0.00 H new ATOM 0 HA SER A 19 -9.457 -1.970 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.660 -2.595 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.614 -3.691 -4.612 1.00 0.00 H new ATOM 0 HG SER A 19 -7.332 -4.471 -6.781 1.00 0.00 H new ATOM 239 N PRO A 20 -10.277 -2.952 -3.701 1.00 0.00 N ATOM 240 CA PRO A 20 -10.939 -3.203 -2.433 1.00 0.00 C ATOM 241 C PRO A 20 -10.061 -4.056 -1.515 1.00 0.00 C ATOM 242 O PRO A 20 -10.234 -4.042 -0.297 1.00 0.00 O ATOM 243 CB PRO A 20 -12.249 -3.882 -2.801 1.00 0.00 C ATOM 244 CG PRO A 20 -12.064 -4.403 -4.217 1.00 0.00 C ATOM 245 CD PRO A 20 -10.823 -3.746 -4.798 1.00 0.00 C ATOM 0 HA PRO A 20 -11.124 -2.290 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.474 -4.696 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.081 -3.180 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.955 -5.488 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.938 -4.172 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.106 -4.490 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.071 -3.120 -5.655 1.00 0.00 H new ATOM 253 N ASP A 21 -9.139 -4.778 -2.135 1.00 0.00 N ATOM 254 CA ASP A 21 -8.234 -5.635 -1.388 1.00 0.00 C ATOM 255 C ASP A 21 -6.933 -4.877 -1.111 1.00 0.00 C ATOM 256 O ASP A 21 -5.919 -5.483 -0.769 1.00 0.00 O ATOM 257 CB ASP A 21 -7.886 -6.895 -2.184 1.00 0.00 C ATOM 258 CG ASP A 21 -9.059 -7.528 -2.936 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.144 -7.619 -2.323 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.843 -7.907 -4.108 1.00 0.00 O ATOM 0 H ASP A 21 -8.999 -4.787 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.729 -5.920 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.104 -6.649 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.470 -7.635 -1.501 1.00 0.00 H new ATOM 265 N ILE A 22 -7.006 -3.564 -1.269 1.00 0.00 N ATOM 266 CA ILE A 22 -5.847 -2.718 -1.040 1.00 0.00 C ATOM 267 C ILE A 22 -5.203 -3.093 0.296 1.00 0.00 C ATOM 268 O ILE A 22 -3.979 -3.107 0.416 1.00 0.00 O ATOM 269 CB ILE A 22 -6.234 -1.241 -1.143 1.00 0.00 C ATOM 270 CG1 ILE A 22 -5.050 -0.338 -0.789 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.464 -0.935 -0.287 1.00 0.00 C ATOM 272 CD1 ILE A 22 -4.269 0.059 -2.044 1.00 0.00 C ATOM 0 H ILE A 22 -7.849 -3.065 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.096 -2.882 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.502 -1.030 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.410 0.557 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.389 -0.855 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.717 0.121 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.304 -1.540 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.248 -1.167 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.433 0.700 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.890 -0.837 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.927 0.597 -2.727 1.00 0.00 H new ATOM 284 N TYR A 23 -6.056 -3.388 1.265 1.00 0.00 N ATOM 285 CA TYR A 23 -5.585 -3.763 2.588 1.00 0.00 C ATOM 286 C TYR A 23 -4.751 -5.044 2.530 1.00 0.00 C ATOM 287 O TYR A 23 -3.576 -5.041 2.896 1.00 0.00 O ATOM 288 CB TYR A 23 -6.840 -4.022 3.424 1.00 0.00 C ATOM 289 CG TYR A 23 -7.919 -2.948 3.277 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.750 -1.714 3.870 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.062 -3.214 2.550 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.767 -0.703 3.731 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.078 -2.203 2.411 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.880 -0.998 3.009 1.00 0.00 C ATOM 295 OH TYR A 23 -10.840 -0.043 2.877 1.00 0.00 O ATOM 0 H TYR A 23 -7.071 -3.375 1.161 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.957 -2.978 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.261 -4.986 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.556 -4.096 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.856 -1.506 4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.194 -4.180 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.648 0.267 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.977 -2.397 1.845 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.416 0.834 2.771 1.00 0.00 H new ATOM 305 N GLN A 24 -5.390 -6.108 2.069 1.00 0.00 N ATOM 306 CA GLN A 24 -4.722 -7.394 1.959 1.00 0.00 C ATOM 307 C GLN A 24 -3.433 -7.254 1.146 1.00 0.00 C ATOM 308 O GLN A 24 -2.448 -7.940 1.415 1.00 0.00 O ATOM 309 CB GLN A 24 -5.648 -8.443 1.341 1.00 0.00 C ATOM 310 CG GLN A 24 -4.978 -9.818 1.313 1.00 0.00 C ATOM 311 CD GLN A 24 -5.842 -10.863 2.021 1.00 0.00 C ATOM 312 OE1 GLN A 24 -7.034 -10.982 1.788 1.00 0.00 O ATOM 313 NE2 GLN A 24 -5.177 -11.612 2.896 1.00 0.00 N ATOM 0 H GLN A 24 -6.364 -6.107 1.767 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.462 -7.733 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.574 -8.498 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.916 -8.145 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.806 -10.122 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.002 -9.761 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.179 -11.460 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.665 -12.339 3.420 1.00 0.00 H new ATOM 322 N GLN A 25 -3.481 -6.360 0.170 1.00 0.00 N ATOM 323 CA GLN A 25 -2.329 -6.121 -0.683 1.00 0.00 C ATOM 324 C GLN A 25 -1.135 -5.659 0.154 1.00 0.00 C ATOM 325 O GLN A 25 -0.073 -6.278 0.121 1.00 0.00 O ATOM 326 CB GLN A 25 -2.659 -5.103 -1.777 1.00 0.00 C ATOM 327 CG GLN A 25 -3.605 -5.704 -2.818 1.00 0.00 C ATOM 328 CD GLN A 25 -4.054 -4.645 -3.827 1.00 0.00 C ATOM 329 OE1 GLN A 25 -3.321 -3.736 -4.180 1.00 0.00 O ATOM 330 NE2 GLN A 25 -5.298 -4.812 -4.269 1.00 0.00 N ATOM 0 H GLN A 25 -4.299 -5.792 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.063 -7.058 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.117 -4.220 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.740 -4.775 -2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.106 -6.520 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.476 -6.130 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.858 -5.595 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.691 -4.157 -4.945 1.00 0.00 H new ATOM 339 N VAL A 26 -1.349 -4.574 0.884 1.00 0.00 N ATOM 340 CA VAL A 26 -0.304 -4.022 1.728 1.00 0.00 C ATOM 341 C VAL A 26 0.246 -5.123 2.638 1.00 0.00 C ATOM 342 O VAL A 26 1.433 -5.441 2.585 1.00 0.00 O ATOM 343 CB VAL A 26 -0.840 -2.817 2.505 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.208 -2.286 3.485 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.308 -1.715 1.553 1.00 0.00 C ATOM 0 H VAL A 26 -2.231 -4.063 0.908 1.00 0.00 H new ATOM 0 HA VAL A 26 0.524 -3.658 1.120 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.702 -3.148 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.198 -1.430 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.472 -3.070 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.098 -1.979 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.684 -0.871 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.471 -1.388 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.103 -2.100 0.914 1.00 0.00 H new ATOM 355 N ARG A 27 -0.643 -5.674 3.450 1.00 0.00 N ATOM 356 CA ARG A 27 -0.262 -6.732 4.370 1.00 0.00 C ATOM 357 C ARG A 27 0.626 -7.757 3.661 1.00 0.00 C ATOM 358 O ARG A 27 1.703 -8.096 4.151 1.00 0.00 O ATOM 359 CB ARG A 27 -1.494 -7.441 4.936 1.00 0.00 C ATOM 360 CG ARG A 27 -2.318 -6.493 5.810 1.00 0.00 C ATOM 361 CD ARG A 27 -3.807 -6.836 5.737 1.00 0.00 C ATOM 362 NE ARG A 27 -4.251 -7.441 7.012 1.00 0.00 N ATOM 363 CZ ARG A 27 -5.435 -8.044 7.186 1.00 0.00 C ATOM 364 NH1 ARG A 27 -6.301 -8.125 6.168 1.00 0.00 N ATOM 365 NH2 ARG A 27 -5.752 -8.565 8.379 1.00 0.00 N ATOM 0 H ARG A 27 -1.627 -5.408 3.490 1.00 0.00 H new ATOM 0 HA ARG A 27 0.289 -6.274 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.110 -7.816 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.183 -8.305 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.977 -6.556 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.162 -5.464 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.386 -5.936 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.989 -7.527 4.914 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.616 -7.396 7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.059 -7.728 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.202 -8.584 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.092 -8.503 9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.653 -9.024 8.512 1.00 0.00 H new ATOM 379 N ASP A 28 0.142 -8.222 2.518 1.00 0.00 N ATOM 380 CA ASP A 28 0.879 -9.201 1.737 1.00 0.00 C ATOM 381 C ASP A 28 2.215 -8.598 1.300 1.00 0.00 C ATOM 382 O ASP A 28 3.257 -9.243 1.411 1.00 0.00 O ATOM 383 CB ASP A 28 0.104 -9.596 0.478 1.00 0.00 C ATOM 384 CG ASP A 28 0.176 -11.080 0.114 1.00 0.00 C ATOM 385 OD1 ASP A 28 -0.054 -11.901 1.028 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.460 -11.361 -1.071 1.00 0.00 O ATOM 0 H ASP A 28 -0.751 -7.939 2.114 1.00 0.00 H new ATOM 0 HA ASP A 28 1.032 -10.083 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.942 -9.320 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.482 -9.013 -0.361 1.00 0.00 H new ATOM 391 N GLU A 29 2.142 -7.368 0.813 1.00 0.00 N ATOM 392 CA GLU A 29 3.333 -6.671 0.360 1.00 0.00 C ATOM 393 C GLU A 29 4.399 -6.670 1.457 1.00 0.00 C ATOM 394 O GLU A 29 5.557 -6.999 1.204 1.00 0.00 O ATOM 395 CB GLU A 29 2.999 -5.244 -0.081 1.00 0.00 C ATOM 396 CG GLU A 29 3.984 -4.753 -1.144 1.00 0.00 C ATOM 397 CD GLU A 29 3.821 -5.540 -2.447 1.00 0.00 C ATOM 398 OE1 GLU A 29 2.977 -5.114 -3.265 1.00 0.00 O ATOM 399 OE2 GLU A 29 4.544 -6.549 -2.595 1.00 0.00 O ATOM 0 H GLU A 29 1.276 -6.836 0.722 1.00 0.00 H new ATOM 0 HA GLU A 29 3.732 -7.200 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.984 -5.210 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.027 -4.577 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.822 -3.692 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.005 -4.859 -0.776 1.00 0.00 H new ATOM 406 N LEU A 30 3.969 -6.298 2.654 1.00 0.00 N ATOM 407 CA LEU A 30 4.872 -6.250 3.792 1.00 0.00 C ATOM 408 C LEU A 30 5.428 -7.651 4.055 1.00 0.00 C ATOM 409 O LEU A 30 6.633 -7.821 4.239 1.00 0.00 O ATOM 410 CB LEU A 30 4.175 -5.628 5.003 1.00 0.00 C ATOM 411 CG LEU A 30 3.463 -4.296 4.756 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.458 -3.997 5.871 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.471 -3.160 4.574 1.00 0.00 C ATOM 0 H LEU A 30 3.008 -6.027 2.861 1.00 0.00 H new ATOM 0 HA LEU A 30 5.723 -5.604 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.445 -6.342 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.917 -5.481 5.788 1.00 0.00 H new ATOM 0 HG LEU A 30 2.899 -4.378 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.966 -3.045 5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.712 -4.790 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.980 -3.942 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.938 -2.225 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.082 -3.068 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.113 -3.376 3.720 1.00 0.00 H new ATOM 425 N LYS A 31 4.524 -8.620 4.065 1.00 0.00 N ATOM 426 CA LYS A 31 4.909 -10.000 4.303 1.00 0.00 C ATOM 427 C LYS A 31 5.772 -10.492 3.139 1.00 0.00 C ATOM 428 O LYS A 31 6.377 -11.560 3.218 1.00 0.00 O ATOM 429 CB LYS A 31 3.673 -10.865 4.560 1.00 0.00 C ATOM 430 CG LYS A 31 4.069 -12.242 5.095 1.00 0.00 C ATOM 431 CD LYS A 31 3.563 -13.354 4.174 1.00 0.00 C ATOM 432 CE LYS A 31 2.295 -13.999 4.738 1.00 0.00 C ATOM 433 NZ LYS A 31 2.485 -15.458 4.902 1.00 0.00 N ATOM 0 H LYS A 31 3.526 -8.476 3.912 1.00 0.00 H new ATOM 0 HA LYS A 31 5.516 -10.076 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.019 -10.367 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.106 -10.979 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.154 -12.304 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.659 -12.379 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.358 -12.946 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.338 -14.111 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.047 -13.548 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.455 -13.808 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.615 -15.880 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.700 -15.886 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.273 -15.634 5.557 1.00 0.00 H new ATOM 447 N ARG A 32 5.800 -9.690 2.085 1.00 0.00 N ATOM 448 CA ARG A 32 6.579 -10.030 0.906 1.00 0.00 C ATOM 449 C ARG A 32 7.976 -9.415 0.997 1.00 0.00 C ATOM 450 O ARG A 32 8.977 -10.114 0.851 1.00 0.00 O ATOM 451 CB ARG A 32 5.892 -9.535 -0.369 1.00 0.00 C ATOM 452 CG ARG A 32 5.838 -10.640 -1.426 1.00 0.00 C ATOM 453 CD ARG A 32 5.824 -10.048 -2.837 1.00 0.00 C ATOM 454 NE ARG A 32 4.434 -9.971 -3.339 1.00 0.00 N ATOM 455 CZ ARG A 32 4.109 -9.822 -4.631 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.072 -9.733 -5.558 1.00 0.00 N ATOM 457 NH2 ARG A 32 2.820 -9.762 -4.995 1.00 0.00 N ATOM 0 H ARG A 32 5.296 -8.806 2.023 1.00 0.00 H new ATOM 0 HA ARG A 32 6.660 -11.116 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.881 -9.200 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.430 -8.674 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.699 -11.299 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.947 -11.250 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.272 -9.054 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.427 -10.663 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 32 3.676 -10.035 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.053 -9.779 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.825 -9.620 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.087 -9.830 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.572 -9.649 -5.978 1.00 0.00 H new ATOM 471 N ALA A 33 8.000 -8.112 1.237 1.00 0.00 N ATOM 472 CA ALA A 33 9.258 -7.394 1.349 1.00 0.00 C ATOM 473 C ALA A 33 9.781 -7.511 2.782 1.00 0.00 C ATOM 474 O ALA A 33 10.881 -7.050 3.084 1.00 0.00 O ATOM 475 CB ALA A 33 9.056 -5.940 0.918 1.00 0.00 C ATOM 0 H ALA A 33 7.168 -7.535 1.357 1.00 0.00 H new ATOM 0 HA ALA A 33 10.008 -7.828 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.000 -5.401 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.713 -5.911 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.311 -5.470 1.561 1.00 0.00 H new ATOM 481 N SER A 34 8.968 -8.129 3.626 1.00 0.00 N ATOM 482 CA SER A 34 9.336 -8.312 5.020 1.00 0.00 C ATOM 483 C SER A 34 9.748 -6.972 5.632 1.00 0.00 C ATOM 484 O SER A 34 10.733 -6.898 6.365 1.00 0.00 O ATOM 485 CB SER A 34 10.468 -9.332 5.162 1.00 0.00 C ATOM 486 OG SER A 34 10.526 -9.885 6.474 1.00 0.00 O ATOM 0 H SER A 34 8.056 -8.509 3.372 1.00 0.00 H new ATOM 0 HA SER A 34 8.468 -8.697 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.327 -10.133 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.419 -8.853 4.928 1.00 0.00 H new ATOM 0 HG SER A 34 11.260 -10.532 6.524 1.00 0.00 H new ATOM 492 N VAL A 35 8.973 -5.947 5.310 1.00 0.00 N ATOM 493 CA VAL A 35 9.246 -4.614 5.820 1.00 0.00 C ATOM 494 C VAL A 35 8.261 -4.291 6.945 1.00 0.00 C ATOM 495 O VAL A 35 7.388 -5.099 7.262 1.00 0.00 O ATOM 496 CB VAL A 35 9.201 -3.597 4.677 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.160 -4.301 3.319 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.016 -2.644 4.837 1.00 0.00 C ATOM 0 H VAL A 35 8.156 -6.013 4.702 1.00 0.00 H new ATOM 0 HA VAL A 35 10.250 -4.565 6.242 1.00 0.00 H new ATOM 0 HB VAL A 35 10.115 -3.004 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.128 -3.556 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.050 -4.919 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.272 -4.930 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.008 -1.932 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.087 -3.214 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.107 -2.105 5.780 1.00 0.00 H new ATOM 508 N SER A 36 8.433 -3.110 7.519 1.00 0.00 N ATOM 509 CA SER A 36 7.570 -2.671 8.602 1.00 0.00 C ATOM 510 C SER A 36 6.547 -1.660 8.080 1.00 0.00 C ATOM 511 O SER A 36 6.888 -0.774 7.297 1.00 0.00 O ATOM 512 CB SER A 36 8.386 -2.059 9.743 1.00 0.00 C ATOM 513 OG SER A 36 8.629 -2.997 10.788 1.00 0.00 O ATOM 0 H SER A 36 9.158 -2.443 7.254 1.00 0.00 H new ATOM 0 HA SER A 36 7.044 -3.541 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.337 -1.695 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.855 -1.196 10.146 1.00 0.00 H new ATOM 0 HG SER A 36 9.154 -2.569 11.496 1.00 0.00 H new ATOM 519 N GLN A 37 5.314 -1.825 8.534 1.00 0.00 N ATOM 520 CA GLN A 37 4.239 -0.939 8.122 1.00 0.00 C ATOM 521 C GLN A 37 4.740 0.505 8.051 1.00 0.00 C ATOM 522 O GLN A 37 4.254 1.296 7.244 1.00 0.00 O ATOM 523 CB GLN A 37 3.039 -1.057 9.064 1.00 0.00 C ATOM 524 CG GLN A 37 2.111 -2.193 8.629 1.00 0.00 C ATOM 525 CD GLN A 37 1.057 -2.479 9.701 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.812 -1.687 10.595 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.448 -3.653 9.560 1.00 0.00 N ATOM 0 H GLN A 37 5.035 -2.560 9.184 1.00 0.00 H new ATOM 0 HA GLN A 37 3.909 -1.238 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.387 -1.236 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.488 -0.117 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.620 -1.928 7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.696 -3.093 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.701 -4.269 8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.272 -3.937 10.224 1.00 0.00 H new ATOM 536 N ALA A 38 5.706 0.805 8.906 1.00 0.00 N ATOM 537 CA ALA A 38 6.279 2.140 8.951 1.00 0.00 C ATOM 538 C ALA A 38 7.059 2.399 7.660 1.00 0.00 C ATOM 539 O ALA A 38 6.701 3.279 6.879 1.00 0.00 O ATOM 540 CB ALA A 38 7.153 2.280 10.199 1.00 0.00 C ATOM 0 H ALA A 38 6.107 0.146 9.574 1.00 0.00 H new ATOM 0 HA ALA A 38 5.493 2.893 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.582 3.281 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.545 2.116 11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.955 1.542 10.166 1.00 0.00 H new ATOM 546 N VAL A 39 8.112 1.616 7.476 1.00 0.00 N ATOM 547 CA VAL A 39 8.947 1.749 6.294 1.00 0.00 C ATOM 548 C VAL A 39 8.055 1.860 5.056 1.00 0.00 C ATOM 549 O VAL A 39 8.196 2.793 4.267 1.00 0.00 O ATOM 550 CB VAL A 39 9.934 0.583 6.217 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.601 0.520 4.841 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.980 0.676 7.330 1.00 0.00 C ATOM 0 H VAL A 39 8.406 0.887 8.126 1.00 0.00 H new ATOM 0 HA VAL A 39 9.544 2.659 6.348 1.00 0.00 H new ATOM 0 HB VAL A 39 9.374 -0.341 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.298 -0.318 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.839 0.384 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.142 1.448 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.669 -0.165 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.534 1.610 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.483 0.649 8.300 1.00 0.00 H new ATOM 562 N PHE A 40 7.156 0.896 4.924 1.00 0.00 N ATOM 563 CA PHE A 40 6.242 0.874 3.795 1.00 0.00 C ATOM 564 C PHE A 40 5.394 2.147 3.752 1.00 0.00 C ATOM 565 O PHE A 40 5.509 2.942 2.820 1.00 0.00 O ATOM 566 CB PHE A 40 5.320 -0.332 3.990 1.00 0.00 C ATOM 567 CG PHE A 40 4.263 -0.490 2.895 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.132 0.263 2.928 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.455 -1.385 1.888 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.151 0.117 1.912 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.475 -1.531 0.872 1.00 0.00 C ATOM 572 CZ PHE A 40 2.343 -0.778 0.905 1.00 0.00 C ATOM 0 H PHE A 40 7.041 0.124 5.581 1.00 0.00 H new ATOM 0 HA PHE A 40 6.803 0.811 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.926 -1.237 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.819 -0.242 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.979 0.973 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.353 -1.984 1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.253 0.716 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.628 -2.240 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.597 -0.890 0.132 1.00 0.00 H new ATOM 582 N ALA A 41 4.562 2.300 4.771 1.00 0.00 N ATOM 583 CA ALA A 41 3.695 3.463 4.861 1.00 0.00 C ATOM 584 C ALA A 41 4.484 4.713 4.466 1.00 0.00 C ATOM 585 O ALA A 41 3.951 5.606 3.809 1.00 0.00 O ATOM 586 CB ALA A 41 3.116 3.561 6.274 1.00 0.00 C ATOM 0 H ALA A 41 4.469 1.638 5.542 1.00 0.00 H new ATOM 0 HA ALA A 41 2.856 3.371 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.466 4.433 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.541 2.662 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.928 3.658 6.994 1.00 0.00 H new ATOM 592 N ARG A 42 5.740 4.738 4.885 1.00 0.00 N ATOM 593 CA ARG A 42 6.608 5.864 4.583 1.00 0.00 C ATOM 594 C ARG A 42 6.889 5.930 3.081 1.00 0.00 C ATOM 595 O ARG A 42 6.856 7.007 2.487 1.00 0.00 O ATOM 596 CB ARG A 42 7.934 5.756 5.339 1.00 0.00 C ATOM 597 CG ARG A 42 8.806 6.989 5.095 1.00 0.00 C ATOM 598 CD ARG A 42 8.008 8.276 5.309 1.00 0.00 C ATOM 599 NE ARG A 42 8.857 9.294 5.969 1.00 0.00 N ATOM 600 CZ ARG A 42 9.067 9.355 7.290 1.00 0.00 C ATOM 601 NH1 ARG A 42 8.492 8.457 8.102 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.853 10.313 7.801 1.00 0.00 N ATOM 0 H ARG A 42 6.178 3.996 5.431 1.00 0.00 H new ATOM 0 HA ARG A 42 6.095 6.772 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.741 5.648 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.467 4.860 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.663 6.972 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.199 6.965 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.649 8.655 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.129 8.071 5.920 1.00 0.00 H new ATOM 0 HE ARG A 42 9.310 9.993 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.895 7.727 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.652 8.503 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.292 10.996 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.013 10.359 8.807 1.00 0.00 H new ATOM 616 N VAL A 43 7.158 4.766 2.510 1.00 0.00 N ATOM 617 CA VAL A 43 7.444 4.678 1.088 1.00 0.00 C ATOM 618 C VAL A 43 6.145 4.413 0.326 1.00 0.00 C ATOM 619 O VAL A 43 6.168 4.144 -0.874 1.00 0.00 O ATOM 620 CB VAL A 43 8.513 3.613 0.834 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.731 3.833 1.734 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.941 2.206 1.020 1.00 0.00 C ATOM 0 H VAL A 43 7.184 3.875 3.006 1.00 0.00 H new ATOM 0 HA VAL A 43 7.849 5.621 0.722 1.00 0.00 H new ATOM 0 HB VAL A 43 8.840 3.707 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.476 3.063 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.160 4.814 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.426 3.779 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.722 1.468 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.573 2.095 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.121 2.051 0.319 1.00 0.00 H new ATOM 632 N ALA A 44 5.041 4.499 1.054 1.00 0.00 N ATOM 633 CA ALA A 44 3.734 4.273 0.461 1.00 0.00 C ATOM 634 C ALA A 44 3.045 5.619 0.226 1.00 0.00 C ATOM 635 O ALA A 44 2.672 5.940 -0.901 1.00 0.00 O ATOM 636 CB ALA A 44 2.916 3.350 1.366 1.00 0.00 C ATOM 0 H ALA A 44 5.025 4.722 2.049 1.00 0.00 H new ATOM 0 HA ALA A 44 3.832 3.780 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.935 3.180 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.434 2.397 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.795 3.814 2.345 1.00 0.00 H new ATOM 642 N PHE A 45 2.897 6.369 1.308 1.00 0.00 N ATOM 643 CA PHE A 45 2.260 7.672 1.233 1.00 0.00 C ATOM 644 C PHE A 45 2.842 8.628 2.277 1.00 0.00 C ATOM 645 O PHE A 45 2.183 9.582 2.687 1.00 0.00 O ATOM 646 CB PHE A 45 0.773 7.461 1.527 1.00 0.00 C ATOM 647 CG PHE A 45 0.493 6.380 2.572 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.696 5.070 2.267 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.040 6.728 3.806 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.435 4.066 3.237 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.220 5.725 4.777 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.017 4.415 4.472 1.00 0.00 C ATOM 0 H PHE A 45 3.207 6.099 2.241 1.00 0.00 H new ATOM 0 HA PHE A 45 2.423 8.109 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.344 8.403 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.264 7.197 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.056 4.793 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.122 7.768 4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.595 3.026 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.579 6.002 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.215 3.652 5.210 1.00 0.00 H new ATOM 662 N ASN A 46 4.072 8.339 2.676 1.00 0.00 N ATOM 663 CA ASN A 46 4.751 9.160 3.664 1.00 0.00 C ATOM 664 C ASN A 46 3.913 9.210 4.943 1.00 0.00 C ATOM 665 O ASN A 46 3.417 10.269 5.324 1.00 0.00 O ATOM 666 CB ASN A 46 4.929 10.594 3.159 1.00 0.00 C ATOM 667 CG ASN A 46 5.826 11.399 4.101 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.474 11.702 5.229 1.00 0.00 O ATOM 669 ND2 ASN A 46 7.004 11.728 3.577 1.00 0.00 N ATOM 0 H ASN A 46 4.616 7.547 2.333 1.00 0.00 H new ATOM 0 HA ASN A 46 5.730 8.719 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.364 10.580 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.956 11.078 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.674 12.265 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.237 11.443 2.626 1.00 0.00 H new ATOM 676 N ARG A 47 3.780 8.050 5.571 1.00 0.00 N ATOM 677 CA ARG A 47 3.010 7.948 6.799 1.00 0.00 C ATOM 678 C ARG A 47 3.755 7.088 7.822 1.00 0.00 C ATOM 679 O ARG A 47 4.882 6.661 7.576 1.00 0.00 O ATOM 680 CB ARG A 47 1.632 7.337 6.536 1.00 0.00 C ATOM 681 CG ARG A 47 0.583 8.428 6.310 1.00 0.00 C ATOM 682 CD ARG A 47 0.406 9.286 7.564 1.00 0.00 C ATOM 683 NE ARG A 47 0.448 10.721 7.205 1.00 0.00 N ATOM 684 CZ ARG A 47 0.625 11.712 8.090 1.00 0.00 C ATOM 685 NH1 ARG A 47 0.777 11.429 9.391 1.00 0.00 N ATOM 686 NH2 ARG A 47 0.650 12.986 7.674 1.00 0.00 N ATOM 0 H ARG A 47 4.193 7.173 5.252 1.00 0.00 H new ATOM 0 HA ARG A 47 2.879 8.956 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.679 6.686 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.339 6.715 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.883 9.058 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.369 7.972 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.543 9.051 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.193 9.059 8.284 1.00 0.00 H new ATOM 0 HE ARG A 47 0.335 10.972 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.758 10.460 9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.912 12.183 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.534 13.202 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.785 13.740 8.348 1.00 0.00 H new ATOM 700 N THR A 48 3.095 6.861 8.948 1.00 0.00 N ATOM 701 CA THR A 48 3.681 6.060 10.010 1.00 0.00 C ATOM 702 C THR A 48 3.001 4.691 10.082 1.00 0.00 C ATOM 703 O THR A 48 2.405 4.238 9.106 1.00 0.00 O ATOM 704 CB THR A 48 3.583 6.856 11.312 1.00 0.00 C ATOM 705 OG1 THR A 48 2.182 7.034 11.506 1.00 0.00 O ATOM 706 CG2 THR A 48 4.123 8.281 11.169 1.00 0.00 C ATOM 0 H THR A 48 2.161 7.217 9.148 1.00 0.00 H new ATOM 0 HA THR A 48 4.734 5.856 9.816 1.00 0.00 H new ATOM 0 HB THR A 48 4.132 6.336 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.028 7.540 12.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.030 8.803 12.122 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.172 8.245 10.876 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.552 8.812 10.407 1.00 0.00 H new ATOM 714 N GLN A 49 3.112 4.071 11.248 1.00 0.00 N ATOM 715 CA GLN A 49 2.515 2.764 11.460 1.00 0.00 C ATOM 716 C GLN A 49 1.163 2.905 12.161 1.00 0.00 C ATOM 717 O GLN A 49 0.141 2.457 11.643 1.00 0.00 O ATOM 718 CB GLN A 49 3.454 1.856 12.257 1.00 0.00 C ATOM 719 CG GLN A 49 2.795 0.506 12.549 1.00 0.00 C ATOM 720 CD GLN A 49 3.376 -0.126 13.815 1.00 0.00 C ATOM 721 OE1 GLN A 49 4.578 -0.186 14.014 1.00 0.00 O ATOM 722 NE2 GLN A 49 2.458 -0.592 14.658 1.00 0.00 N ATOM 0 H GLN A 49 3.607 4.450 12.055 1.00 0.00 H new ATOM 0 HA GLN A 49 2.351 2.299 10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.377 1.701 11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.727 2.342 13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.720 0.640 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.942 -0.165 11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.467 -0.509 14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.745 -1.032 15.532 1.00 0.00 H new ATOM 731 N GLY A 50 1.200 3.529 13.329 1.00 0.00 N ATOM 732 CA GLY A 50 -0.010 3.735 14.107 1.00 0.00 C ATOM 733 C GLY A 50 -1.189 4.096 13.201 1.00 0.00 C ATOM 734 O GLY A 50 -2.339 3.806 13.527 1.00 0.00 O ATOM 0 H GLY A 50 2.049 3.899 13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.243 2.831 14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.152 4.531 14.834 1.00 0.00 H new ATOM 738 N LEU A 51 -0.862 4.724 12.081 1.00 0.00 N ATOM 739 CA LEU A 51 -1.880 5.128 11.125 1.00 0.00 C ATOM 740 C LEU A 51 -2.196 3.954 10.197 1.00 0.00 C ATOM 741 O LEU A 51 -3.305 3.422 10.219 1.00 0.00 O ATOM 742 CB LEU A 51 -1.448 6.397 10.387 1.00 0.00 C ATOM 743 CG LEU A 51 -2.307 6.799 9.187 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.847 6.078 7.918 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.792 6.567 9.472 1.00 0.00 C ATOM 0 H LEU A 51 0.093 4.963 11.814 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.806 5.386 11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.443 7.223 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.421 6.264 10.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.176 7.868 9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.474 6.381 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.809 6.338 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.929 5.001 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.380 6.861 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.961 5.511 9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.095 7.163 10.333 1.00 0.00 H new ATOM 757 N LEU A 52 -1.202 3.584 9.403 1.00 0.00 N ATOM 758 CA LEU A 52 -1.360 2.483 8.468 1.00 0.00 C ATOM 759 C LEU A 52 -2.017 1.302 9.185 1.00 0.00 C ATOM 760 O LEU A 52 -2.849 0.605 8.606 1.00 0.00 O ATOM 761 CB LEU A 52 -0.020 2.138 7.815 1.00 0.00 C ATOM 762 CG LEU A 52 0.009 0.854 6.983 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.969 0.938 5.810 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.432 0.532 6.522 1.00 0.00 C ATOM 0 H LEU A 52 -0.284 4.027 9.388 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.022 2.769 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.274 2.969 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.733 2.057 8.598 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.319 0.029 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.928 0.013 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.980 1.085 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.696 1.776 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.425 -0.385 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.811 1.352 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.075 0.399 7.392 1.00 0.00 H new ATOM 776 N SER A 53 -1.620 1.114 10.435 1.00 0.00 N ATOM 777 CA SER A 53 -2.160 0.029 11.237 1.00 0.00 C ATOM 778 C SER A 53 -3.680 0.163 11.342 1.00 0.00 C ATOM 779 O SER A 53 -4.405 -0.819 11.190 1.00 0.00 O ATOM 780 CB SER A 53 -1.531 0.010 12.631 1.00 0.00 C ATOM 781 OG SER A 53 -1.117 -1.300 13.012 1.00 0.00 O ATOM 0 H SER A 53 -0.931 1.695 10.912 1.00 0.00 H new ATOM 0 HA SER A 53 -1.918 -0.914 10.746 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.673 0.682 12.651 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.249 0.389 13.358 1.00 0.00 H new ATOM 0 HG SER A 53 -0.473 -1.643 12.358 1.00 0.00 H new ATOM 787 N GLU A 54 -4.118 1.386 11.600 1.00 0.00 N ATOM 788 CA GLU A 54 -5.539 1.661 11.727 1.00 0.00 C ATOM 789 C GLU A 54 -6.238 1.480 10.378 1.00 0.00 C ATOM 790 O GLU A 54 -7.422 1.150 10.327 1.00 0.00 O ATOM 791 CB GLU A 54 -5.779 3.066 12.284 1.00 0.00 C ATOM 792 CG GLU A 54 -6.092 4.055 11.161 1.00 0.00 C ATOM 793 CD GLU A 54 -5.917 5.499 11.636 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.094 5.697 12.556 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.609 6.371 11.069 1.00 0.00 O ATOM 0 H GLU A 54 -3.514 2.198 11.725 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.964 0.948 12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.606 3.043 12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.898 3.399 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.435 3.866 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.114 3.904 10.813 1.00 0.00 H new ATOM 802 N ILE A 55 -5.475 1.704 9.318 1.00 0.00 N ATOM 803 CA ILE A 55 -6.005 1.569 7.972 1.00 0.00 C ATOM 804 C ILE A 55 -6.135 0.085 7.625 1.00 0.00 C ATOM 805 O ILE A 55 -6.886 -0.282 6.723 1.00 0.00 O ATOM 806 CB ILE A 55 -5.152 2.360 6.978 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.085 3.838 7.368 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.657 2.168 5.547 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.109 4.599 6.469 1.00 0.00 C ATOM 0 H ILE A 55 -4.494 1.978 9.364 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.005 1.999 7.912 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.135 1.970 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.077 4.283 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.773 3.929 8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.033 2.741 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.610 1.111 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.688 2.515 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.081 5.647 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.113 4.167 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.437 4.526 5.432 1.00 0.00 H new ATOM 821 N LEU A 56 -5.393 -0.729 8.361 1.00 0.00 N ATOM 822 CA LEU A 56 -5.416 -2.165 8.143 1.00 0.00 C ATOM 823 C LEU A 56 -6.355 -2.817 9.161 1.00 0.00 C ATOM 824 O LEU A 56 -6.725 -3.980 9.013 1.00 0.00 O ATOM 825 CB LEU A 56 -3.995 -2.733 8.165 1.00 0.00 C ATOM 826 CG LEU A 56 -3.026 -2.155 7.133 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.579 -2.258 7.621 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.218 -2.819 5.768 1.00 0.00 C ATOM 0 H LEU A 56 -4.772 -0.421 9.109 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.811 -2.394 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.576 -2.571 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.054 -3.811 8.015 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.250 -1.095 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.911 -1.840 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.469 -1.703 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.326 -3.305 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.517 -2.390 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.037 -3.890 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.238 -2.651 5.422 1.00 0.00 H new ATOM 840 N ARG A 57 -6.712 -2.038 10.171 1.00 0.00 N ATOM 841 CA ARG A 57 -7.600 -2.524 11.213 1.00 0.00 C ATOM 842 C ARG A 57 -9.052 -2.175 10.879 1.00 0.00 C ATOM 843 O ARG A 57 -9.930 -3.035 10.933 1.00 0.00 O ATOM 844 CB ARG A 57 -7.238 -1.921 12.572 1.00 0.00 C ATOM 845 CG ARG A 57 -6.072 -2.676 13.213 1.00 0.00 C ATOM 846 CD ARG A 57 -5.732 -2.094 14.587 1.00 0.00 C ATOM 847 NE ARG A 57 -4.264 -2.063 14.773 1.00 0.00 N ATOM 848 CZ ARG A 57 -3.658 -1.671 15.903 1.00 0.00 C ATOM 849 NH1 ARG A 57 -4.390 -1.274 16.953 1.00 0.00 N ATOM 850 NH2 ARG A 57 -2.321 -1.675 15.982 1.00 0.00 N ATOM 0 H ARG A 57 -6.402 -1.073 10.290 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.486 -3.607 11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.972 -0.871 12.449 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.105 -1.955 13.232 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.328 -3.731 13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.198 -2.621 12.564 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.140 -1.087 14.676 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.194 -2.695 15.370 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.677 -2.358 13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.408 -1.270 16.893 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.929 -0.976 17.813 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.764 -1.976 15.183 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.860 -1.377 16.842 1.00 0.00 H new ATOM 864 N LYS A 58 -9.260 -0.911 10.540 1.00 0.00 N ATOM 865 CA LYS A 58 -10.590 -0.437 10.197 1.00 0.00 C ATOM 866 C LYS A 58 -10.866 -0.730 8.721 1.00 0.00 C ATOM 867 O LYS A 58 -12.016 -0.918 8.326 1.00 0.00 O ATOM 868 CB LYS A 58 -10.747 1.038 10.571 1.00 0.00 C ATOM 869 CG LYS A 58 -10.432 1.265 12.051 1.00 0.00 C ATOM 870 CD LYS A 58 -9.952 2.697 12.297 1.00 0.00 C ATOM 871 CE LYS A 58 -9.393 2.853 13.712 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.492 2.888 14.703 1.00 0.00 N ATOM 0 H LYS A 58 -8.529 -0.201 10.496 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.345 -0.970 10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.082 1.645 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.765 1.365 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.321 1.068 12.650 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.666 0.560 12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.184 2.957 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.779 3.392 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.719 2.026 13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.806 3.769 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.095 2.994 15.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.119 3.692 14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.035 2.003 14.650 1.00 0.00 H new ATOM 886 N GLU A 59 -9.792 -0.759 7.946 1.00 0.00 N ATOM 887 CA GLU A 59 -9.904 -1.026 6.522 1.00 0.00 C ATOM 888 C GLU A 59 -10.982 -0.137 5.898 1.00 0.00 C ATOM 889 O GLU A 59 -11.846 -0.621 5.169 1.00 0.00 O ATOM 890 CB GLU A 59 -10.195 -2.505 6.262 1.00 0.00 C ATOM 891 CG GLU A 59 -8.952 -3.361 6.511 1.00 0.00 C ATOM 892 CD GLU A 59 -9.092 -4.735 5.854 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.253 -5.159 5.666 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.035 -5.331 5.554 1.00 0.00 O ATOM 0 H GLU A 59 -8.840 -0.602 8.277 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.949 -0.790 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.006 -2.839 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.532 -2.638 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.072 -2.853 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.797 -3.481 7.583 1.00 0.00 H new ATOM 901 N GLU A 60 -10.896 1.149 6.209 1.00 0.00 N ATOM 902 CA GLU A 60 -11.853 2.110 5.688 1.00 0.00 C ATOM 903 C GLU A 60 -12.052 1.900 4.185 1.00 0.00 C ATOM 904 O GLU A 60 -11.195 2.270 3.385 1.00 0.00 O ATOM 905 CB GLU A 60 -11.410 3.543 5.988 1.00 0.00 C ATOM 906 CG GLU A 60 -12.388 4.231 6.942 1.00 0.00 C ATOM 907 CD GLU A 60 -12.762 5.625 6.433 1.00 0.00 C ATOM 908 OE1 GLU A 60 -11.864 6.494 6.448 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.937 5.789 6.040 1.00 0.00 O ATOM 0 H GLU A 60 -10.178 1.547 6.815 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.809 1.949 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.413 3.535 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.344 4.109 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.288 3.624 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.940 4.310 7.933 1.00 0.00 H new ATOM 916 N ASP A 61 -13.188 1.308 3.848 1.00 0.00 N ATOM 917 CA ASP A 61 -13.510 1.045 2.456 1.00 0.00 C ATOM 918 C ASP A 61 -13.170 2.278 1.616 1.00 0.00 C ATOM 919 O ASP A 61 -13.437 3.406 2.027 1.00 0.00 O ATOM 920 CB ASP A 61 -15.002 0.752 2.282 1.00 0.00 C ATOM 921 CG ASP A 61 -15.634 -0.075 3.403 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.010 -1.090 3.780 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.727 0.326 3.857 1.00 0.00 O ATOM 0 H ASP A 61 -13.897 1.003 4.515 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.932 0.179 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.536 1.699 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.146 0.226 1.338 1.00 0.00 H new ATOM 928 N PRO A 62 -12.569 2.014 0.425 1.00 0.00 N ATOM 929 CA PRO A 62 -12.188 3.088 -0.476 1.00 0.00 C ATOM 930 C PRO A 62 -13.414 3.670 -1.184 1.00 0.00 C ATOM 931 O PRO A 62 -13.290 4.588 -1.993 1.00 0.00 O ATOM 932 CB PRO A 62 -11.190 2.462 -1.435 1.00 0.00 C ATOM 933 CG PRO A 62 -11.397 0.960 -1.331 1.00 0.00 C ATOM 934 CD PRO A 62 -12.237 0.690 -0.094 1.00 0.00 C ATOM 0 HA PRO A 62 -11.742 3.935 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.357 2.810 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.169 2.735 -1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.897 0.581 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.438 0.446 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.136 0.125 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.684 0.104 0.640 1.00 0.00 H new ATOM 942 N ARG A 63 -14.569 3.112 -0.853 1.00 0.00 N ATOM 943 CA ARG A 63 -15.816 3.563 -1.447 1.00 0.00 C ATOM 944 C ARG A 63 -16.441 4.667 -0.592 1.00 0.00 C ATOM 945 O ARG A 63 -17.126 5.547 -1.112 1.00 0.00 O ATOM 946 CB ARG A 63 -16.810 2.409 -1.584 1.00 0.00 C ATOM 947 CG ARG A 63 -16.295 1.355 -2.567 1.00 0.00 C ATOM 948 CD ARG A 63 -16.922 1.542 -3.950 1.00 0.00 C ATOM 949 NE ARG A 63 -17.021 0.237 -4.641 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.512 0.078 -5.878 1.00 0.00 C ATOM 951 NH1 ARG A 63 -17.952 1.140 -6.566 1.00 0.00 N ATOM 952 NH2 ARG A 63 -17.563 -1.144 -6.425 1.00 0.00 N ATOM 0 H ARG A 63 -14.668 2.351 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.589 3.951 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.978 1.951 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.772 2.791 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.210 1.423 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.526 0.358 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.912 1.987 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -16.319 2.231 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.695 -0.593 -4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.913 2.070 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.326 1.019 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.228 -1.952 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.936 -1.266 -7.366 1.00 0.00 H new ATOM 966 N THR A 64 -16.184 4.585 0.705 1.00 0.00 N ATOM 967 CA THR A 64 -16.713 5.567 1.637 1.00 0.00 C ATOM 968 C THR A 64 -15.578 6.393 2.244 1.00 0.00 C ATOM 969 O THR A 64 -15.798 7.509 2.712 1.00 0.00 O ATOM 970 CB THR A 64 -17.550 4.824 2.681 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.582 4.202 3.522 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.330 3.653 2.081 1.00 0.00 C ATOM 0 H THR A 64 -15.616 3.854 1.133 1.00 0.00 H new ATOM 0 HA THR A 64 -17.359 6.284 1.131 1.00 0.00 H new ATOM 0 HB THR A 64 -18.245 5.520 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.038 3.699 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.907 3.161 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.006 4.023 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.634 2.940 1.640 1.00 0.00 H new ATOM 980 N ALA A 65 -14.386 5.813 2.215 1.00 0.00 N ATOM 981 CA ALA A 65 -13.216 6.482 2.757 1.00 0.00 C ATOM 982 C ALA A 65 -13.262 7.965 2.383 1.00 0.00 C ATOM 983 O ALA A 65 -13.791 8.328 1.334 1.00 0.00 O ATOM 984 CB ALA A 65 -11.950 5.791 2.245 1.00 0.00 C ATOM 0 H ALA A 65 -14.206 4.888 1.825 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.207 6.417 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.072 6.293 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.951 4.748 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.924 5.839 1.156 1.00 0.00 H new ATOM 990 N SER A 66 -12.701 8.782 3.262 1.00 0.00 N ATOM 991 CA SER A 66 -12.671 10.217 3.037 1.00 0.00 C ATOM 992 C SER A 66 -11.420 10.597 2.242 1.00 0.00 C ATOM 993 O SER A 66 -10.397 9.920 2.328 1.00 0.00 O ATOM 994 CB SER A 66 -12.711 10.983 4.361 1.00 0.00 C ATOM 995 OG SER A 66 -14.030 11.409 4.692 1.00 0.00 O ATOM 0 H SER A 66 -12.263 8.477 4.132 1.00 0.00 H new ATOM 0 HA SER A 66 -13.556 10.491 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.324 10.349 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.055 11.851 4.297 1.00 0.00 H new ATOM 0 HG SER A 66 -14.013 11.892 5.544 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.544 11.678 1.487 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.436 12.156 0.677 1.00 0.00 C ATOM 1003 C GLN A 67 -9.117 12.002 1.438 1.00 0.00 C ATOM 1004 O GLN A 67 -8.120 11.555 0.874 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.656 13.608 0.249 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.034 14.482 1.447 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.623 15.817 0.988 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -12.769 15.912 0.581 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -10.777 16.840 1.077 1.00 0.00 N ATOM 0 H GLN A 67 -12.395 12.237 1.419 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.384 11.549 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.749 13.995 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.444 13.654 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.757 13.957 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.153 14.662 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.831 16.690 1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.075 17.774 0.795 1.00 0.00 H new ATOM 1018 N SER A 68 -9.156 12.381 2.707 1.00 0.00 N ATOM 1019 CA SER A 68 -7.977 12.290 3.551 1.00 0.00 C ATOM 1020 C SER A 68 -7.362 10.893 3.444 1.00 0.00 C ATOM 1021 O SER A 68 -6.187 10.752 3.109 1.00 0.00 O ATOM 1022 CB SER A 68 -8.316 12.611 5.008 1.00 0.00 C ATOM 1023 OG SER A 68 -7.652 13.785 5.465 1.00 0.00 O ATOM 0 H SER A 68 -9.985 12.752 3.171 1.00 0.00 H new ATOM 0 HA SER A 68 -7.252 13.026 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.393 12.742 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.036 11.768 5.639 1.00 0.00 H new ATOM 0 HG SER A 68 -7.896 13.956 6.399 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.184 9.896 3.736 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.736 8.515 3.676 1.00 0.00 C ATOM 1031 C LEU A 69 -7.496 8.124 2.217 1.00 0.00 C ATOM 1032 O LEU A 69 -6.438 7.596 1.879 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.723 7.600 4.404 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.125 6.352 5.056 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.115 5.717 6.035 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.648 5.356 3.997 1.00 0.00 C ATOM 0 H LEU A 69 -9.158 10.017 4.015 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.786 8.400 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.227 8.183 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.487 7.284 3.693 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.250 6.653 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.665 4.832 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.364 6.434 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.022 5.432 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.227 4.478 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.491 5.055 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.886 5.824 3.374 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.496 8.398 1.392 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.406 8.081 -0.023 1.00 0.00 C ATOM 1050 C LEU A 70 -7.064 8.574 -0.568 1.00 0.00 C ATOM 1051 O LEU A 70 -6.410 7.877 -1.343 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.617 8.637 -0.775 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.850 7.733 -0.824 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -12.133 8.560 -0.921 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.737 6.713 -1.959 1.00 0.00 C ATOM 0 H LEU A 70 -9.372 8.836 1.676 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.434 7.002 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.903 9.583 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.313 8.860 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.900 7.172 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.994 7.893 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.212 9.212 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.108 9.166 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.626 6.083 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.649 7.236 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.855 6.092 -1.804 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.693 9.772 -0.142 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.441 10.367 -0.577 1.00 0.00 C ATOM 1069 C VAL A 71 -4.303 9.370 -0.353 1.00 0.00 C ATOM 1070 O VAL A 71 -3.417 9.234 -1.196 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.217 11.700 0.140 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.731 12.060 0.177 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -6.036 12.817 -0.510 1.00 0.00 C ATOM 0 H VAL A 71 -7.238 10.347 0.500 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.474 10.589 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.560 11.588 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.600 13.012 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.181 11.282 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.351 12.143 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.858 13.753 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.738 12.927 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.096 12.567 -0.460 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.364 8.697 0.786 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.349 7.716 1.131 1.00 0.00 C ATOM 1085 C ASN A 72 -3.579 6.442 0.316 1.00 0.00 C ATOM 1086 O ASN A 72 -2.655 5.929 -0.314 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.421 7.347 2.614 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.888 8.484 3.489 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.796 8.991 3.295 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.718 8.854 4.460 1.00 0.00 N ATOM 0 H ASN A 72 -5.101 8.811 1.482 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.373 8.150 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.453 7.126 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.842 6.442 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.454 9.605 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.619 8.387 4.567 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.816 5.969 0.353 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.179 4.765 -0.375 1.00 0.00 C ATOM 1099 C LEU A 73 -4.644 4.858 -1.805 1.00 0.00 C ATOM 1100 O LEU A 73 -3.957 3.952 -2.275 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.688 4.526 -0.297 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.287 4.476 1.110 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.806 4.303 1.053 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.618 3.388 1.952 1.00 0.00 C ATOM 0 H LEU A 73 -5.580 6.398 0.876 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.717 3.890 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.190 5.315 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.913 3.586 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.089 5.430 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.207 4.270 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.248 5.142 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.047 3.373 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.062 3.374 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.763 2.418 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.551 3.596 2.034 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.978 5.962 -2.457 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.540 6.185 -3.824 1.00 0.00 C ATOM 1118 C ARG A 74 -3.017 6.080 -3.917 1.00 0.00 C ATOM 1119 O ARG A 74 -2.490 5.420 -4.812 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.981 7.561 -4.326 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.478 7.575 -4.644 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.999 9.009 -4.767 1.00 0.00 C ATOM 1123 NE ARG A 74 -8.028 9.084 -5.828 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.679 10.205 -6.165 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.412 11.353 -5.527 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.597 10.180 -7.141 1.00 0.00 N ATOM 0 H ARG A 74 -5.547 6.712 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.999 5.419 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.759 8.316 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.414 7.826 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.661 7.037 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.025 7.052 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.421 9.334 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.176 9.685 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.256 8.228 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.713 11.373 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.908 12.207 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.800 9.307 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.092 11.034 -7.397 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.352 6.741 -2.981 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.899 6.731 -2.946 1.00 0.00 C ATOM 1142 C ALA A 75 -0.406 5.286 -2.843 1.00 0.00 C ATOM 1143 O ALA A 75 0.364 4.828 -3.686 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.410 7.598 -1.785 1.00 0.00 C ATOM 0 H ALA A 75 -2.793 7.287 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.490 7.155 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.680 7.590 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.763 8.620 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.798 7.202 -0.847 1.00 0.00 H new ATOM 1150 N MET A 76 -0.871 4.608 -1.804 1.00 0.00 N ATOM 1151 CA MET A 76 -0.487 3.225 -1.580 1.00 0.00 C ATOM 1152 C MET A 76 -0.594 2.411 -2.871 1.00 0.00 C ATOM 1153 O MET A 76 0.406 1.896 -3.369 1.00 0.00 O ATOM 1154 CB MET A 76 -1.393 2.610 -0.512 1.00 0.00 C ATOM 1155 CG MET A 76 -1.000 3.094 0.886 1.00 0.00 C ATOM 1156 SD MET A 76 -2.100 2.395 2.106 1.00 0.00 S ATOM 1157 CE MET A 76 -3.127 3.814 2.447 1.00 0.00 C ATOM 0 H MET A 76 -1.510 4.991 -1.108 1.00 0.00 H new ATOM 0 HA MET A 76 0.550 3.205 -1.245 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.431 2.875 -0.714 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.327 1.523 -0.556 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.028 2.806 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.042 4.182 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.997 3.503 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.556 4.548 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.455 4.260 1.508 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.815 2.320 -3.376 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.066 1.577 -4.599 1.00 0.00 C ATOM 1169 C GLN A 77 -1.094 2.017 -5.696 1.00 0.00 C ATOM 1170 O GLN A 77 -0.781 1.244 -6.600 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.517 1.742 -5.054 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.800 0.904 -6.302 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.667 -0.311 -5.963 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.784 -0.458 -6.430 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.091 -1.169 -5.126 1.00 0.00 N ATOM 0 H GLN A 77 -2.642 2.749 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.902 0.518 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.190 1.443 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.719 2.792 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.304 1.517 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.860 0.573 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.152 -0.984 -4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.588 -2.012 -4.838 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.645 3.258 -5.581 1.00 0.00 N ATOM 1185 CA ASN A 78 0.285 3.811 -6.551 1.00 0.00 C ATOM 1186 C ASN A 78 1.673 3.212 -6.320 1.00 0.00 C ATOM 1187 O ASN A 78 2.449 3.052 -7.261 1.00 0.00 O ATOM 1188 CB ASN A 78 0.395 5.330 -6.406 1.00 0.00 C ATOM 1189 CG ASN A 78 0.092 6.031 -7.731 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.315 5.503 -8.808 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.427 7.248 -7.593 1.00 0.00 N ATOM 0 H ASN A 78 -0.908 3.897 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.085 3.570 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.299 5.677 -5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.398 5.595 -6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.664 7.798 -8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.588 7.631 -6.662 1.00 0.00 H new ATOM 1198 N PHE A 79 1.945 2.896 -5.062 1.00 0.00 N ATOM 1199 CA PHE A 79 3.226 2.318 -4.695 1.00 0.00 C ATOM 1200 C PHE A 79 3.254 0.816 -4.985 1.00 0.00 C ATOM 1201 O PHE A 79 4.271 0.284 -5.425 1.00 0.00 O ATOM 1202 CB PHE A 79 3.402 2.538 -3.191 1.00 0.00 C ATOM 1203 CG PHE A 79 4.640 1.858 -2.603 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.874 2.148 -3.097 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.507 0.964 -1.587 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.023 1.518 -2.551 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.656 0.334 -1.041 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.890 0.624 -1.535 1.00 0.00 C ATOM 0 H PHE A 79 1.299 3.030 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 79 4.024 2.787 -5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.461 3.609 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.517 2.168 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.979 2.857 -3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.527 0.733 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.003 1.749 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.551 -0.375 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.764 0.144 -1.120 1.00 0.00 H new ATOM 1218 N LEU A 80 2.123 0.175 -4.727 1.00 0.00 N ATOM 1219 CA LEU A 80 2.005 -1.255 -4.956 1.00 0.00 C ATOM 1220 C LEU A 80 2.095 -1.536 -6.457 1.00 0.00 C ATOM 1221 O LEU A 80 2.221 -2.688 -6.869 1.00 0.00 O ATOM 1222 CB LEU A 80 0.732 -1.798 -4.303 1.00 0.00 C ATOM 1223 CG LEU A 80 0.609 -1.586 -2.793 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.823 -1.838 -2.318 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.624 -2.444 -2.035 1.00 0.00 C ATOM 0 H LEU A 80 1.281 0.620 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 80 2.830 -1.787 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.127 -1.333 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.671 -2.867 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 80 0.841 -0.544 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.882 -1.680 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.500 -1.150 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.108 -2.864 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.516 -2.275 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.447 -3.497 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.633 -2.173 -2.345 1.00 0.00 H new ATOM 1237 N ASN A 81 2.026 -0.465 -7.233 1.00 0.00 N ATOM 1238 CA ASN A 81 2.098 -0.582 -8.679 1.00 0.00 C ATOM 1239 C ASN A 81 3.565 -0.612 -9.112 1.00 0.00 C ATOM 1240 O ASN A 81 3.907 -1.230 -10.118 1.00 0.00 O ATOM 1241 CB ASN A 81 1.428 0.611 -9.363 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.065 0.353 -9.576 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.497 -0.753 -9.854 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.827 1.434 -9.430 1.00 0.00 N ATOM 0 H ASN A 81 1.921 0.489 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 81 1.584 -1.499 -8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.563 1.506 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.908 0.802 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.837 1.366 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.401 2.331 -9.197 1.00 0.00 H new ATOM 1251 N LEU A 82 4.393 0.065 -8.329 1.00 0.00 N ATOM 1252 CA LEU A 82 5.816 0.124 -8.619 1.00 0.00 C ATOM 1253 C LEU A 82 6.331 -1.286 -8.915 1.00 0.00 C ATOM 1254 O LEU A 82 5.665 -2.272 -8.604 1.00 0.00 O ATOM 1255 CB LEU A 82 6.565 0.827 -7.485 1.00 0.00 C ATOM 1256 CG LEU A 82 6.592 2.356 -7.545 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.491 2.932 -6.449 1.00 0.00 C ATOM 1258 CD2 LEU A 82 7.003 2.842 -8.936 1.00 0.00 C ATOM 0 H LEU A 82 4.106 0.577 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 82 5.998 0.724 -9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.114 0.528 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.593 0.465 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 82 5.583 2.723 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.492 4.020 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.115 2.627 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.507 2.559 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.014 3.932 -8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.998 2.465 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.290 2.476 -9.675 1.00 0.00 H new ATOM 1270 N PRO A 83 7.544 -1.338 -9.528 1.00 0.00 N ATOM 1271 CA PRO A 83 8.156 -2.611 -9.869 1.00 0.00 C ATOM 1272 C PRO A 83 8.717 -3.301 -8.624 1.00 0.00 C ATOM 1273 O PRO A 83 9.393 -2.670 -7.812 1.00 0.00 O ATOM 1274 CB PRO A 83 9.226 -2.271 -10.893 1.00 0.00 C ATOM 1275 CG PRO A 83 9.489 -0.781 -10.743 1.00 0.00 C ATOM 1276 CD PRO A 83 8.361 -0.191 -9.911 1.00 0.00 C ATOM 0 HA PRO A 83 7.442 -3.324 -10.281 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.134 -2.848 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.890 -2.509 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.451 -0.610 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.534 -0.301 -11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.746 0.331 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.783 0.533 -10.485 1.00 0.00 H new ATOM 1284 N GLU A 84 8.416 -4.586 -8.513 1.00 0.00 N ATOM 1285 CA GLU A 84 8.882 -5.368 -7.381 1.00 0.00 C ATOM 1286 C GLU A 84 10.359 -5.077 -7.106 1.00 0.00 C ATOM 1287 O GLU A 84 10.775 -4.993 -5.951 1.00 0.00 O ATOM 1288 CB GLU A 84 8.653 -6.863 -7.615 1.00 0.00 C ATOM 1289 CG GLU A 84 9.029 -7.676 -6.375 1.00 0.00 C ATOM 1290 CD GLU A 84 8.824 -9.173 -6.618 1.00 0.00 C ATOM 1291 OE1 GLU A 84 7.845 -9.505 -7.321 1.00 0.00 O ATOM 1292 OE2 GLU A 84 9.651 -9.951 -6.095 1.00 0.00 O ATOM 0 H GLU A 84 7.855 -5.105 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 84 8.305 -5.078 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.607 -7.039 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.246 -7.196 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.070 -7.486 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.423 -7.355 -5.528 1.00 0.00 H new ATOM 1299 N VAL A 85 11.111 -4.931 -8.187 1.00 0.00 N ATOM 1300 CA VAL A 85 12.533 -4.651 -8.077 1.00 0.00 C ATOM 1301 C VAL A 85 12.732 -3.339 -7.315 1.00 0.00 C ATOM 1302 O VAL A 85 13.650 -3.221 -6.504 1.00 0.00 O ATOM 1303 CB VAL A 85 13.173 -4.638 -9.467 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.520 -5.677 -10.380 1.00 0.00 C ATOM 1305 CG2 VAL A 85 13.106 -3.242 -10.088 1.00 0.00 C ATOM 0 H VAL A 85 10.763 -5.001 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 85 13.034 -5.436 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 85 14.224 -4.904 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.993 -5.647 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.643 -6.670 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.458 -5.455 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.568 -3.260 -11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.064 -2.934 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.638 -2.535 -9.452 1.00 0.00 H new ATOM 1315 N GLU A 86 11.858 -2.386 -7.602 1.00 0.00 N ATOM 1316 CA GLU A 86 11.926 -1.088 -6.953 1.00 0.00 C ATOM 1317 C GLU A 86 11.521 -1.207 -5.483 1.00 0.00 C ATOM 1318 O GLU A 86 12.302 -0.878 -4.591 1.00 0.00 O ATOM 1319 CB GLU A 86 11.052 -0.065 -7.682 1.00 0.00 C ATOM 1320 CG GLU A 86 11.896 0.823 -8.599 1.00 0.00 C ATOM 1321 CD GLU A 86 13.045 1.475 -7.826 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.776 1.943 -6.698 1.00 0.00 O ATOM 1323 OE2 GLU A 86 14.165 1.490 -8.380 1.00 0.00 O ATOM 0 H GLU A 86 11.099 -2.487 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 86 12.956 -0.735 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.293 -0.582 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.526 0.553 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.297 0.228 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.267 1.595 -9.043 1.00 0.00 H new ATOM 1330 N ARG A 87 10.300 -1.677 -5.274 1.00 0.00 N ATOM 1331 CA ARG A 87 9.782 -1.843 -3.927 1.00 0.00 C ATOM 1332 C ARG A 87 10.828 -2.514 -3.035 1.00 0.00 C ATOM 1333 O ARG A 87 11.027 -2.107 -1.891 1.00 0.00 O ATOM 1334 CB ARG A 87 8.506 -2.688 -3.928 1.00 0.00 C ATOM 1335 CG ARG A 87 7.515 -2.183 -4.979 1.00 0.00 C ATOM 1336 CD ARG A 87 6.073 -2.346 -4.496 1.00 0.00 C ATOM 1337 NE ARG A 87 5.499 -3.602 -5.030 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.636 -4.799 -4.443 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.326 -4.910 -3.300 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.081 -5.885 -4.999 1.00 0.00 N ATOM 0 H ARG A 87 9.654 -1.948 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 87 9.548 -0.852 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.756 -3.730 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.043 -2.656 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.713 -1.133 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.655 -2.733 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.045 -2.358 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.474 -1.496 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 87 4.966 -3.553 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.747 -4.083 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.430 -5.821 -2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.555 -5.800 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.185 -6.796 -4.553 1.00 0.00 H new ATOM 1354 N ASP A 88 11.470 -3.531 -3.592 1.00 0.00 N ATOM 1355 CA ASP A 88 12.491 -4.262 -2.861 1.00 0.00 C ATOM 1356 C ASP A 88 13.587 -3.291 -2.416 1.00 0.00 C ATOM 1357 O ASP A 88 14.029 -3.331 -1.269 1.00 0.00 O ATOM 1358 CB ASP A 88 13.137 -5.334 -3.740 1.00 0.00 C ATOM 1359 CG ASP A 88 12.663 -6.763 -3.471 1.00 0.00 C ATOM 1360 OD1 ASP A 88 12.424 -7.068 -2.283 1.00 0.00 O ATOM 1361 OD2 ASP A 88 12.550 -7.519 -4.461 1.00 0.00 O ATOM 0 H ASP A 88 11.303 -3.866 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 88 12.016 -4.738 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.940 -5.093 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.217 -5.294 -3.601 1.00 0.00 H new ATOM 1366 N ARG A 89 13.995 -2.442 -3.348 1.00 0.00 N ATOM 1367 CA ARG A 89 15.031 -1.463 -3.066 1.00 0.00 C ATOM 1368 C ARG A 89 14.474 -0.338 -2.191 1.00 0.00 C ATOM 1369 O ARG A 89 15.042 -0.020 -1.147 1.00 0.00 O ATOM 1370 CB ARG A 89 15.589 -0.865 -4.359 1.00 0.00 C ATOM 1371 CG ARG A 89 17.014 -1.358 -4.621 1.00 0.00 C ATOM 1372 CD ARG A 89 17.245 -1.597 -6.114 1.00 0.00 C ATOM 1373 NE ARG A 89 18.686 -1.472 -6.429 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.177 -1.362 -7.671 1.00 0.00 C ATOM 1375 NH1 ARG A 89 18.346 -1.361 -8.722 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.499 -1.253 -7.862 1.00 0.00 N ATOM 0 H ARG A 89 13.627 -2.412 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 89 15.836 -1.974 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.947 -1.137 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.583 0.223 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.730 -0.624 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.190 -2.282 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.888 -2.589 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.673 -0.877 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 89 19.347 -1.469 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.340 -1.444 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.720 -1.277 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.132 -1.254 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.873 -1.169 -8.807 1.00 0.00 H new ATOM 1390 N ILE A 90 13.370 0.234 -2.648 1.00 0.00 N ATOM 1391 CA ILE A 90 12.731 1.316 -1.920 1.00 0.00 C ATOM 1392 C ILE A 90 12.733 0.990 -0.425 1.00 0.00 C ATOM 1393 O ILE A 90 13.125 1.820 0.394 1.00 0.00 O ATOM 1394 CB ILE A 90 11.337 1.593 -2.486 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.422 2.112 -3.923 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.555 2.545 -1.579 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.031 2.231 -4.547 1.00 0.00 C ATOM 0 H ILE A 90 12.902 -0.032 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 90 13.291 2.242 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 90 10.788 0.652 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.913 3.085 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.036 1.438 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.568 2.725 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.448 2.099 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.091 3.490 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.121 2.602 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.552 1.252 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.427 2.924 -3.961 1.00 0.00 H new ATOM 1409 N TYR A 91 12.291 -0.220 -0.115 1.00 0.00 N ATOM 1410 CA TYR A 91 12.237 -0.666 1.267 1.00 0.00 C ATOM 1411 C TYR A 91 13.634 -0.685 1.892 1.00 0.00 C ATOM 1412 O TYR A 91 13.837 -0.151 2.981 1.00 0.00 O ATOM 1413 CB TYR A 91 11.689 -2.094 1.229 1.00 0.00 C ATOM 1414 CG TYR A 91 10.229 -2.188 0.782 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.332 -1.204 1.144 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.809 -3.257 0.017 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.957 -1.293 0.723 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.435 -3.346 -0.404 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.577 -2.360 -0.030 1.00 0.00 C ATOM 1420 OH TYR A 91 6.279 -2.444 -0.427 1.00 0.00 O ATOM 0 H TYR A 91 11.967 -0.905 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 91 11.616 0.004 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.304 -2.690 0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.784 -2.535 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.661 -0.367 1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.511 -4.027 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.244 -0.530 0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.094 -4.177 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 91 6.060 -1.675 -0.993 1.00 0.00 H new ATOM 1430 N GLN A 92 14.559 -1.304 1.175 1.00 0.00 N ATOM 1431 CA GLN A 92 15.931 -1.400 1.645 1.00 0.00 C ATOM 1432 C GLN A 92 16.491 -0.006 1.936 1.00 0.00 C ATOM 1433 O GLN A 92 17.159 0.200 2.948 1.00 0.00 O ATOM 1434 CB GLN A 92 16.807 -2.143 0.635 1.00 0.00 C ATOM 1435 CG GLN A 92 18.292 -1.937 0.940 1.00 0.00 C ATOM 1436 CD GLN A 92 18.683 -2.625 2.250 1.00 0.00 C ATOM 1437 OE1 GLN A 92 17.849 -2.997 3.058 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.994 -2.773 2.412 1.00 0.00 N ATOM 0 H GLN A 92 14.386 -1.745 0.271 1.00 0.00 H new ATOM 0 HA GLN A 92 15.937 -1.974 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.572 -3.207 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.587 -1.789 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.893 -2.335 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.509 -0.871 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.637 -2.438 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.356 -3.222 3.253 1.00 0.00 H new ATOM 1447 N ASP A 93 16.197 0.915 1.030 1.00 0.00 N ATOM 1448 CA ASP A 93 16.663 2.284 1.176 1.00 0.00 C ATOM 1449 C ASP A 93 16.148 2.854 2.499 1.00 0.00 C ATOM 1450 O ASP A 93 16.873 3.562 3.198 1.00 0.00 O ATOM 1451 CB ASP A 93 16.138 3.168 0.043 1.00 0.00 C ATOM 1452 CG ASP A 93 17.190 4.053 -0.628 1.00 0.00 C ATOM 1453 OD1 ASP A 93 17.984 4.660 0.124 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.178 4.102 -1.877 1.00 0.00 O ATOM 0 H ASP A 93 15.642 0.740 0.192 1.00 0.00 H new ATOM 0 HA ASP A 93 17.753 2.275 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.685 2.530 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.347 3.806 0.437 1.00 0.00 H new ATOM 1459 N GLU A 94 14.901 2.526 2.803 1.00 0.00 N ATOM 1460 CA GLU A 94 14.281 2.997 4.030 1.00 0.00 C ATOM 1461 C GLU A 94 15.030 2.450 5.247 1.00 0.00 C ATOM 1462 O GLU A 94 15.512 3.216 6.080 1.00 0.00 O ATOM 1463 CB GLU A 94 12.801 2.613 4.078 1.00 0.00 C ATOM 1464 CG GLU A 94 11.941 3.802 4.512 1.00 0.00 C ATOM 1465 CD GLU A 94 12.142 4.112 5.997 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.994 3.431 6.608 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.440 5.022 6.487 1.00 0.00 O ATOM 0 H GLU A 94 14.303 1.940 2.221 1.00 0.00 H new ATOM 0 HA GLU A 94 14.341 4.085 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.479 2.266 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.659 1.784 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.198 4.678 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.890 3.584 4.321 1.00 0.00 H new