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= 0.407 K(o=1.4,f=-6!) USER MOD Set 1.2: A 53 SER OG : rot 57:sc= 1.02 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.708 K(o=-2.9,f=-1.3) USER MOD Set 2.2: A 77 GLN : amide:sc= -2.2! C(o=-2.9!,f=-10!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 22:sc= -1.22 USER MOD Single : A 24 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.02) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -55:sc= 0.00826 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -4.04! K(o=-4!,f=-3.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 49 GLN : amide:sc= -2.72 K(o=-2.7,f=-13!) 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=-0.43) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.6!) USER MOD Single : A 76 MET CE :methyl 166:sc= -4.67! (180deg=-4.87!) USER MOD Single : A 78 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.91) USER MOD Single : A 81 ASN : amide:sc= -0.994 K(o=-0.99,f=-2.6!) USER MOD Single : A 91 TYR OH : rot 63:sc= 0.82! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.147 2.317 -7.247 1.00 0.00 N ATOM 213 CA VAL A 18 -7.870 1.763 -5.932 1.00 0.00 C ATOM 214 C VAL A 18 -8.671 0.472 -5.749 1.00 0.00 C ATOM 215 O VAL A 18 -9.893 0.470 -5.893 1.00 0.00 O ATOM 216 CB VAL A 18 -8.162 2.806 -4.852 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.165 2.170 -3.461 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.164 3.963 -4.924 1.00 0.00 C ATOM 0 HA VAL A 18 -6.814 1.507 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.157 3.210 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.375 2.934 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.932 1.397 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.190 1.725 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.394 4.691 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.154 3.582 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.233 4.442 -5.900 1.00 0.00 H new ATOM 228 N SER A 19 -7.951 -0.594 -5.434 1.00 0.00 N ATOM 229 CA SER A 19 -8.580 -1.888 -5.229 1.00 0.00 C ATOM 230 C SER A 19 -9.198 -1.954 -3.831 1.00 0.00 C ATOM 231 O SER A 19 -8.716 -1.306 -2.904 1.00 0.00 O ATOM 232 CB SER A 19 -7.574 -3.025 -5.419 1.00 0.00 C ATOM 233 OG SER A 19 -7.899 -3.844 -6.538 1.00 0.00 O ATOM 0 H SER A 19 -6.938 -0.589 -5.316 1.00 0.00 H new ATOM 0 HA SER A 19 -9.368 -2.007 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.576 -2.607 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.545 -3.637 -4.518 1.00 0.00 H new ATOM 0 HG SER A 19 -7.232 -4.557 -6.626 1.00 0.00 H new ATOM 239 N PRO A 20 -10.285 -2.764 -3.721 1.00 0.00 N ATOM 240 CA PRO A 20 -10.974 -2.924 -2.452 1.00 0.00 C ATOM 241 C PRO A 20 -10.171 -3.813 -1.500 1.00 0.00 C ATOM 242 O PRO A 20 -10.447 -3.853 -0.302 1.00 0.00 O ATOM 243 CB PRO A 20 -12.329 -3.510 -2.811 1.00 0.00 C ATOM 244 CG PRO A 20 -12.176 -4.089 -4.209 1.00 0.00 C ATOM 245 CD PRO A 20 -10.884 -3.548 -4.798 1.00 0.00 C ATOM 0 HA PRO A 20 -11.092 -1.982 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.622 -4.281 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.104 -2.744 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.152 -5.178 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.026 -3.811 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.224 -4.356 -5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.077 -2.932 -5.676 1.00 0.00 H new ATOM 253 N ASP A 21 -9.195 -4.504 -2.069 1.00 0.00 N ATOM 254 CA ASP A 21 -8.350 -5.390 -1.285 1.00 0.00 C ATOM 255 C ASP A 21 -7.006 -4.707 -1.025 1.00 0.00 C ATOM 256 O ASP A 21 -6.057 -5.348 -0.576 1.00 0.00 O ATOM 257 CB ASP A 21 -8.080 -6.697 -2.033 1.00 0.00 C ATOM 258 CG ASP A 21 -9.296 -7.302 -2.737 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.886 -6.582 -3.571 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.607 -8.472 -2.425 1.00 0.00 O ATOM 0 H ASP A 21 -8.970 -4.469 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.866 -5.610 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.301 -6.520 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.687 -7.428 -1.326 1.00 0.00 H new ATOM 265 N ILE A 22 -6.967 -3.416 -1.317 1.00 0.00 N ATOM 266 CA ILE A 22 -5.755 -2.639 -1.120 1.00 0.00 C ATOM 267 C ILE A 22 -5.144 -2.992 0.237 1.00 0.00 C ATOM 268 O ILE A 22 -3.933 -2.884 0.424 1.00 0.00 O ATOM 269 CB ILE A 22 -6.040 -1.147 -1.298 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.808 -0.308 -0.952 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.267 -0.723 -0.488 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.827 -0.265 -2.125 1.00 0.00 C ATOM 0 H ILE A 22 -7.756 -2.888 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.014 -2.890 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.268 -0.966 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.115 0.705 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.314 -0.726 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.448 0.342 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.137 -1.287 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.091 -0.921 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.960 0.338 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.504 -1.278 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.317 0.176 -2.993 1.00 0.00 H new ATOM 284 N TYR A 23 -6.010 -3.406 1.150 1.00 0.00 N ATOM 285 CA TYR A 23 -5.571 -3.775 2.485 1.00 0.00 C ATOM 286 C TYR A 23 -4.768 -5.077 2.458 1.00 0.00 C ATOM 287 O TYR A 23 -3.609 -5.105 2.869 1.00 0.00 O ATOM 288 CB TYR A 23 -6.845 -3.993 3.304 1.00 0.00 C ATOM 289 CG TYR A 23 -7.915 -2.921 3.086 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.873 -1.747 3.810 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.922 -3.129 2.165 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.880 -0.738 3.605 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.929 -2.120 1.960 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.858 -0.975 2.690 1.00 0.00 C ATOM 295 OH TYR A 23 -10.809 -0.022 2.497 1.00 0.00 O ATOM 0 H TYR A 23 -7.014 -3.494 0.992 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.931 -2.999 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.264 -4.967 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.584 -4.022 4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.085 -1.585 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.955 -4.048 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.859 0.185 4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.723 -2.269 1.243 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.467 0.847 2.794 1.00 0.00 H new ATOM 305 N GLN A 24 -5.416 -6.125 1.969 1.00 0.00 N ATOM 306 CA GLN A 24 -4.777 -7.427 1.882 1.00 0.00 C ATOM 307 C GLN A 24 -3.493 -7.334 1.056 1.00 0.00 C ATOM 308 O GLN A 24 -2.531 -8.055 1.313 1.00 0.00 O ATOM 309 CB GLN A 24 -5.732 -8.468 1.297 1.00 0.00 C ATOM 310 CG GLN A 24 -5.087 -9.856 1.281 1.00 0.00 C ATOM 311 CD GLN A 24 -5.563 -10.695 2.469 1.00 0.00 C ATOM 312 OE1 GLN A 24 -6.731 -11.020 2.604 1.00 0.00 O ATOM 313 NE2 GLN A 24 -4.595 -11.026 3.319 1.00 0.00 N ATOM 0 H GLN A 24 -6.377 -6.098 1.629 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.514 -7.749 2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.649 -8.496 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.012 -8.181 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.334 -10.365 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.002 -9.757 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.637 -10.720 3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.810 -11.585 4.144 1.00 0.00 H new ATOM 322 N GLN A 25 -3.519 -6.439 0.079 1.00 0.00 N ATOM 323 CA GLN A 25 -2.369 -6.243 -0.788 1.00 0.00 C ATOM 324 C GLN A 25 -1.178 -5.726 0.021 1.00 0.00 C ATOM 325 O GLN A 25 -0.051 -6.181 -0.167 1.00 0.00 O ATOM 326 CB GLN A 25 -2.706 -5.291 -1.938 1.00 0.00 C ATOM 327 CG GLN A 25 -3.684 -5.941 -2.918 1.00 0.00 C ATOM 328 CD GLN A 25 -3.456 -5.427 -4.341 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.816 -6.062 -5.163 1.00 0.00 O ATOM 330 NE2 GLN A 25 -4.014 -4.245 -4.586 1.00 0.00 N ATOM 0 H GLN A 25 -4.318 -5.841 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.098 -7.205 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.140 -4.374 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.793 -5.010 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.562 -7.024 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.708 -5.729 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.537 -3.766 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.919 -3.817 -5.507 1.00 0.00 H new ATOM 339 N VAL A 26 -1.468 -4.782 0.904 1.00 0.00 N ATOM 340 CA VAL A 26 -0.434 -4.198 1.742 1.00 0.00 C ATOM 341 C VAL A 26 0.147 -5.280 2.655 1.00 0.00 C ATOM 342 O VAL A 26 1.334 -5.592 2.575 1.00 0.00 O ATOM 343 CB VAL A 26 -0.999 -3.004 2.515 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.051 -2.416 3.459 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.536 -1.937 1.559 1.00 0.00 C ATOM 0 H VAL A 26 -2.404 -4.407 1.058 1.00 0.00 H new ATOM 0 HA VAL A 26 0.383 -3.815 1.130 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.832 -3.361 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.376 -1.569 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.365 -3.177 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.913 -2.082 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.932 -1.100 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.729 -1.586 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.330 -2.364 0.946 1.00 0.00 H new ATOM 355 N ARG A 27 -0.716 -5.821 3.502 1.00 0.00 N ATOM 356 CA ARG A 27 -0.303 -6.861 4.429 1.00 0.00 C ATOM 357 C ARG A 27 0.545 -7.910 3.706 1.00 0.00 C ATOM 358 O ARG A 27 1.589 -8.322 4.208 1.00 0.00 O ATOM 359 CB ARG A 27 -1.515 -7.545 5.065 1.00 0.00 C ATOM 360 CG ARG A 27 -2.392 -6.531 5.802 1.00 0.00 C ATOM 361 CD ARG A 27 -3.877 -6.817 5.567 1.00 0.00 C ATOM 362 NE ARG A 27 -4.612 -6.761 6.850 1.00 0.00 N ATOM 363 CZ ARG A 27 -5.948 -6.804 6.952 1.00 0.00 C ATOM 364 NH1 ARG A 27 -6.702 -6.903 5.849 1.00 0.00 N ATOM 365 NH2 ARG A 27 -6.529 -6.746 8.158 1.00 0.00 N ATOM 0 H ARG A 27 -1.700 -5.559 3.566 1.00 0.00 H new ATOM 0 HA ARG A 27 0.288 -6.390 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.101 -8.045 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.180 -8.314 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.176 -6.566 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.154 -5.523 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.290 -6.088 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.999 -7.800 5.111 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.069 -6.685 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.260 -6.946 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.718 -6.936 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.955 -6.669 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.545 -6.779 8.237 1.00 0.00 H new ATOM 379 N ASP A 28 0.063 -8.312 2.539 1.00 0.00 N ATOM 380 CA ASP A 28 0.763 -9.306 1.743 1.00 0.00 C ATOM 381 C ASP A 28 2.057 -8.697 1.200 1.00 0.00 C ATOM 382 O ASP A 28 3.047 -9.402 1.009 1.00 0.00 O ATOM 383 CB ASP A 28 -0.085 -9.754 0.551 1.00 0.00 C ATOM 384 CG ASP A 28 0.420 -11.007 -0.167 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.264 -11.705 0.435 1.00 0.00 O ATOM 386 OD2 ASP A 28 -0.050 -11.238 -1.302 1.00 0.00 O ATOM 0 H ASP A 28 -0.804 -7.968 2.126 1.00 0.00 H new ATOM 0 HA ASP A 28 0.970 -10.165 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.103 -9.937 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.134 -8.936 -0.168 1.00 0.00 H new ATOM 391 N GLU A 29 2.008 -7.394 0.966 1.00 0.00 N ATOM 392 CA GLU A 29 3.165 -6.683 0.448 1.00 0.00 C ATOM 393 C GLU A 29 4.257 -6.597 1.516 1.00 0.00 C ATOM 394 O GLU A 29 5.426 -6.854 1.235 1.00 0.00 O ATOM 395 CB GLU A 29 2.774 -5.290 -0.050 1.00 0.00 C ATOM 396 CG GLU A 29 3.974 -4.573 -0.672 1.00 0.00 C ATOM 397 CD GLU A 29 4.340 -5.190 -2.024 1.00 0.00 C ATOM 398 OE1 GLU A 29 4.975 -6.267 -2.003 1.00 0.00 O ATOM 399 OE2 GLU A 29 3.977 -4.572 -3.047 1.00 0.00 O ATOM 0 H GLU A 29 1.186 -6.812 1.125 1.00 0.00 H new ATOM 0 HA GLU A 29 3.559 -7.240 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.975 -5.374 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.383 -4.700 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.744 -3.515 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.828 -4.633 0.003 1.00 0.00 H new ATOM 406 N LEU A 30 3.837 -6.234 2.719 1.00 0.00 N ATOM 407 CA LEU A 30 4.764 -6.111 3.830 1.00 0.00 C ATOM 408 C LEU A 30 5.377 -7.481 4.132 1.00 0.00 C ATOM 409 O LEU A 30 6.588 -7.597 4.312 1.00 0.00 O ATOM 410 CB LEU A 30 4.075 -5.468 5.035 1.00 0.00 C ATOM 411 CG LEU A 30 3.276 -4.194 4.749 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.452 -3.779 5.969 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.193 -3.068 4.267 1.00 0.00 C ATOM 0 H LEU A 30 2.866 -6.021 2.948 1.00 0.00 H new ATOM 0 HA LEU A 30 5.585 -5.444 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.403 -6.203 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.834 -5.237 5.782 1.00 0.00 H new ATOM 0 HG LEU A 30 2.574 -4.405 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.894 -2.871 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.756 -4.577 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.118 -3.592 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.600 -2.175 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.935 -2.850 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.698 -3.377 3.351 1.00 0.00 H new ATOM 425 N LYS A 31 4.512 -8.483 4.177 1.00 0.00 N ATOM 426 CA LYS A 31 4.953 -9.840 4.453 1.00 0.00 C ATOM 427 C LYS A 31 5.832 -10.330 3.301 1.00 0.00 C ATOM 428 O LYS A 31 6.481 -11.370 3.410 1.00 0.00 O ATOM 429 CB LYS A 31 3.753 -10.745 4.739 1.00 0.00 C ATOM 430 CG LYS A 31 4.207 -12.104 5.277 1.00 0.00 C ATOM 431 CD LYS A 31 3.900 -13.220 4.277 1.00 0.00 C ATOM 432 CE LYS A 31 2.832 -14.169 4.825 1.00 0.00 C ATOM 433 NZ LYS A 31 2.825 -15.438 4.063 1.00 0.00 N ATOM 0 H LYS A 31 3.508 -8.383 4.027 1.00 0.00 H new ATOM 0 HA LYS A 31 5.565 -9.866 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.095 -10.265 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.174 -10.886 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.277 -12.079 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.706 -12.310 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.559 -12.787 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.810 -13.778 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.024 -14.372 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.852 -13.696 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.094 -16.070 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.620 -15.241 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.756 -15.896 4.142 1.00 0.00 H new ATOM 447 N ARG A 32 5.826 -9.559 2.224 1.00 0.00 N ATOM 448 CA ARG A 32 6.616 -9.901 1.054 1.00 0.00 C ATOM 449 C ARG A 32 8.016 -9.295 1.162 1.00 0.00 C ATOM 450 O ARG A 32 9.015 -10.003 1.040 1.00 0.00 O ATOM 451 CB ARG A 32 5.948 -9.399 -0.228 1.00 0.00 C ATOM 452 CG ARG A 32 5.842 -10.518 -1.266 1.00 0.00 C ATOM 453 CD ARG A 32 5.574 -9.949 -2.660 1.00 0.00 C ATOM 454 NE ARG A 32 5.538 -11.044 -3.656 1.00 0.00 N ATOM 455 CZ ARG A 32 5.304 -10.863 -4.963 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.085 -9.631 -5.440 1.00 0.00 N ATOM 457 NH2 ARG A 32 5.290 -11.916 -5.792 1.00 0.00 N ATOM 0 H ARG A 32 5.286 -8.698 2.137 1.00 0.00 H new ATOM 0 HA ARG A 32 6.690 -10.988 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.954 -9.016 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.522 -8.569 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.765 -11.097 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.040 -11.202 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.627 -9.410 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.351 -9.231 -2.924 1.00 0.00 H new ATOM 0 HE ARG A 32 5.702 -11.995 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.096 -8.830 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.907 -9.493 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.457 -12.854 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.112 -11.779 -6.787 1.00 0.00 H new ATOM 471 N ALA A 33 8.045 -7.990 1.389 1.00 0.00 N ATOM 472 CA ALA A 33 9.307 -7.280 1.515 1.00 0.00 C ATOM 473 C ALA A 33 9.792 -7.364 2.964 1.00 0.00 C ATOM 474 O ALA A 33 10.886 -6.901 3.284 1.00 0.00 O ATOM 475 CB ALA A 33 9.130 -5.836 1.042 1.00 0.00 C ATOM 0 H ALA A 33 7.215 -7.406 1.489 1.00 0.00 H new ATOM 0 HA ALA A 33 10.070 -7.738 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.076 -5.304 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.813 -5.831 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.374 -5.343 1.653 1.00 0.00 H new ATOM 481 N SER A 34 8.955 -7.958 3.801 1.00 0.00 N ATOM 482 CA SER A 34 9.285 -8.109 5.208 1.00 0.00 C ATOM 483 C SER A 34 9.704 -6.759 5.795 1.00 0.00 C ATOM 484 O SER A 34 10.691 -6.676 6.525 1.00 0.00 O ATOM 485 CB SER A 34 10.396 -9.142 5.406 1.00 0.00 C ATOM 486 OG SER A 34 10.444 -9.624 6.746 1.00 0.00 O ATOM 0 H SER A 34 8.049 -8.341 3.532 1.00 0.00 H new ATOM 0 HA SER A 34 8.398 -8.466 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.239 -9.979 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.356 -8.696 5.146 1.00 0.00 H new ATOM 0 HG SER A 34 10.538 -8.868 7.362 1.00 0.00 H new ATOM 492 N VAL A 35 8.934 -5.737 5.453 1.00 0.00 N ATOM 493 CA VAL A 35 9.214 -4.395 5.937 1.00 0.00 C ATOM 494 C VAL A 35 8.224 -4.042 7.049 1.00 0.00 C ATOM 495 O VAL A 35 7.235 -4.745 7.250 1.00 0.00 O ATOM 496 CB VAL A 35 9.185 -3.403 4.773 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.161 -4.134 3.429 1.00 0.00 C ATOM 498 CG2 VAL A 35 7.997 -2.446 4.898 1.00 0.00 C ATOM 0 H VAL A 35 8.117 -5.810 4.847 1.00 0.00 H new ATOM 0 HA VAL A 35 10.215 -4.344 6.365 1.00 0.00 H new ATOM 0 HB VAL A 35 10.099 -2.811 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.141 -3.405 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.052 -4.755 3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.273 -4.764 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.000 -1.751 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.068 -3.017 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.076 -1.888 5.831 1.00 0.00 H new ATOM 508 N SER A 36 8.525 -2.953 7.741 1.00 0.00 N ATOM 509 CA SER A 36 7.674 -2.498 8.827 1.00 0.00 C ATOM 510 C SER A 36 6.560 -1.604 8.280 1.00 0.00 C ATOM 511 O SER A 36 6.798 -0.776 7.402 1.00 0.00 O ATOM 512 CB SER A 36 8.485 -1.748 9.885 1.00 0.00 C ATOM 513 OG SER A 36 8.786 -2.569 11.010 1.00 0.00 O ATOM 0 H SER A 36 9.346 -2.373 7.571 1.00 0.00 H new ATOM 0 HA SER A 36 7.229 -3.372 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.413 -1.387 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.927 -0.872 10.215 1.00 0.00 H new ATOM 0 HG SER A 36 9.306 -2.054 11.661 1.00 0.00 H new ATOM 519 N GLN A 37 5.366 -1.802 8.821 1.00 0.00 N ATOM 520 CA GLN A 37 4.215 -1.024 8.398 1.00 0.00 C ATOM 521 C GLN A 37 4.597 0.450 8.245 1.00 0.00 C ATOM 522 O GLN A 37 3.998 1.170 7.448 1.00 0.00 O ATOM 523 CB GLN A 37 3.051 -1.190 9.377 1.00 0.00 C ATOM 524 CG GLN A 37 2.211 -2.421 9.027 1.00 0.00 C ATOM 525 CD GLN A 37 0.898 -2.430 9.812 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.457 -1.425 10.346 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.300 -3.617 9.853 1.00 0.00 N ATOM 0 H GLN A 37 5.172 -2.490 9.548 1.00 0.00 H new ATOM 0 HA GLN A 37 3.886 -1.396 7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.436 -1.285 10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.423 -0.299 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.000 -2.429 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.777 -3.326 9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.723 -4.418 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.582 -3.727 10.353 1.00 0.00 H new ATOM 536 N ALA A 38 5.591 0.854 9.021 1.00 0.00 N ATOM 537 CA ALA A 38 6.060 2.228 8.982 1.00 0.00 C ATOM 538 C ALA A 38 6.908 2.438 7.727 1.00 0.00 C ATOM 539 O ALA A 38 6.614 3.312 6.913 1.00 0.00 O ATOM 540 CB ALA A 38 6.831 2.541 10.266 1.00 0.00 C ATOM 0 H ALA A 38 6.085 0.253 9.681 1.00 0.00 H new ATOM 0 HA ALA A 38 5.219 2.919 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.183 3.572 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.175 2.406 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.685 1.868 10.351 1.00 0.00 H new ATOM 546 N VAL A 39 7.945 1.621 7.608 1.00 0.00 N ATOM 547 CA VAL A 39 8.838 1.706 6.466 1.00 0.00 C ATOM 548 C VAL A 39 8.010 1.822 5.184 1.00 0.00 C ATOM 549 O VAL A 39 8.271 2.686 4.349 1.00 0.00 O ATOM 550 CB VAL A 39 9.791 0.509 6.456 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.446 0.341 5.083 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.846 0.639 7.555 1.00 0.00 C ATOM 0 H VAL A 39 8.186 0.897 8.285 1.00 0.00 H new ATOM 0 HA VAL A 39 9.460 2.599 6.533 1.00 0.00 H new ATOM 0 HB VAL A 39 9.205 -0.387 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.118 -0.517 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.675 0.180 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.012 1.240 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.510 -0.225 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.426 1.548 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.355 0.686 8.527 1.00 0.00 H new ATOM 562 N PHE A 40 7.030 0.939 5.069 1.00 0.00 N ATOM 563 CA PHE A 40 6.162 0.931 3.904 1.00 0.00 C ATOM 564 C PHE A 40 5.319 2.206 3.840 1.00 0.00 C ATOM 565 O PHE A 40 5.466 3.006 2.917 1.00 0.00 O ATOM 566 CB PHE A 40 5.231 -0.275 4.047 1.00 0.00 C ATOM 567 CG PHE A 40 4.173 -0.379 2.947 1.00 0.00 C ATOM 568 CD1 PHE A 40 4.475 -0.988 1.769 1.00 0.00 C ATOM 569 CD2 PHE A 40 2.932 0.139 3.146 1.00 0.00 C ATOM 570 CE1 PHE A 40 3.494 -1.085 0.747 1.00 0.00 C ATOM 571 CE2 PHE A 40 1.950 0.042 2.124 1.00 0.00 C ATOM 572 CZ PHE A 40 2.252 -0.567 0.946 1.00 0.00 C ATOM 0 H PHE A 40 6.817 0.223 5.764 1.00 0.00 H new ATOM 0 HA PHE A 40 6.761 0.877 2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.830 -1.185 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.731 -0.222 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.462 -1.398 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.693 0.624 4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.734 -1.570 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.963 0.452 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.506 -0.639 0.169 1.00 0.00 H new ATOM 582 N ALA A 41 4.454 2.356 4.832 1.00 0.00 N ATOM 583 CA ALA A 41 3.588 3.521 4.900 1.00 0.00 C ATOM 584 C ALA A 41 4.372 4.761 4.466 1.00 0.00 C ATOM 585 O ALA A 41 3.811 5.675 3.864 1.00 0.00 O ATOM 586 CB ALA A 41 3.022 3.655 6.315 1.00 0.00 C ATOM 0 H ALA A 41 4.334 1.690 5.595 1.00 0.00 H new ATOM 0 HA ALA A 41 2.743 3.411 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.372 4.529 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.449 2.762 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.841 3.770 7.025 1.00 0.00 H new ATOM 592 N ARG A 42 5.657 4.752 4.788 1.00 0.00 N ATOM 593 CA ARG A 42 6.524 5.864 4.439 1.00 0.00 C ATOM 594 C ARG A 42 6.771 5.891 2.930 1.00 0.00 C ATOM 595 O ARG A 42 6.591 6.923 2.286 1.00 0.00 O ATOM 596 CB ARG A 42 7.866 5.766 5.168 1.00 0.00 C ATOM 597 CG ARG A 42 8.729 6.999 4.894 1.00 0.00 C ATOM 598 CD ARG A 42 7.980 8.284 5.255 1.00 0.00 C ATOM 599 NE ARG A 42 8.848 9.164 6.069 1.00 0.00 N ATOM 600 CZ ARG A 42 8.443 10.316 6.622 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.181 10.734 6.451 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.300 11.050 7.345 1.00 0.00 N ATOM 0 H ARG A 42 6.119 3.992 5.287 1.00 0.00 H new ATOM 0 HA ARG A 42 6.024 6.783 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.695 5.668 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.394 4.869 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.652 6.937 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.012 7.022 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.672 8.802 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.072 8.043 5.808 1.00 0.00 H new ATOM 0 HE ARG A 42 9.815 8.876 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.529 10.176 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.873 11.611 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.261 10.732 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.992 11.927 7.766 1.00 0.00 H new ATOM 616 N VAL A 43 7.181 4.744 2.409 1.00 0.00 N ATOM 617 CA VAL A 43 7.455 4.623 0.987 1.00 0.00 C ATOM 618 C VAL A 43 6.152 4.320 0.245 1.00 0.00 C ATOM 619 O VAL A 43 6.167 4.039 -0.953 1.00 0.00 O ATOM 620 CB VAL A 43 8.537 3.567 0.751 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.750 3.814 1.650 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.981 2.156 0.956 1.00 0.00 C ATOM 0 H VAL A 43 7.330 3.890 2.946 1.00 0.00 H new ATOM 0 HA VAL A 43 7.844 5.561 0.591 1.00 0.00 H new ATOM 0 HB VAL A 43 8.865 3.650 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.504 3.049 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.169 4.797 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.443 3.772 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.771 1.425 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.612 2.055 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.164 1.981 0.256 1.00 0.00 H new ATOM 632 N ALA A 44 5.057 4.388 0.987 1.00 0.00 N ATOM 633 CA ALA A 44 3.748 4.124 0.414 1.00 0.00 C ATOM 634 C ALA A 44 3.024 5.451 0.175 1.00 0.00 C ATOM 635 O ALA A 44 2.629 5.753 -0.950 1.00 0.00 O ATOM 636 CB ALA A 44 2.964 3.191 1.338 1.00 0.00 C ATOM 0 H ALA A 44 5.049 4.622 1.980 1.00 0.00 H new ATOM 0 HA ALA A 44 3.845 3.623 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.982 2.993 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.506 2.252 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.844 3.662 2.314 1.00 0.00 H new ATOM 642 N PHE A 45 2.872 6.208 1.252 1.00 0.00 N ATOM 643 CA PHE A 45 2.203 7.495 1.174 1.00 0.00 C ATOM 644 C PHE A 45 2.761 8.467 2.216 1.00 0.00 C ATOM 645 O PHE A 45 2.073 9.398 2.633 1.00 0.00 O ATOM 646 CB PHE A 45 0.722 7.248 1.467 1.00 0.00 C ATOM 647 CG PHE A 45 0.467 6.154 2.505 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.688 4.850 2.188 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.019 6.485 3.746 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.452 3.835 3.152 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.217 5.470 4.710 1.00 0.00 C ATOM 652 CZ PHE A 45 0.004 4.166 4.393 1.00 0.00 C ATOM 0 H PHE A 45 3.201 5.954 2.184 1.00 0.00 H new ATOM 0 HA PHE A 45 2.355 7.934 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.271 8.177 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.219 6.978 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.043 4.587 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.157 7.520 3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.628 2.800 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.572 5.733 5.695 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.176 3.394 5.126 1.00 0.00 H new ATOM 662 N ASN A 46 4.002 8.218 2.606 1.00 0.00 N ATOM 663 CA ASN A 46 4.661 9.059 3.591 1.00 0.00 C ATOM 664 C ASN A 46 3.818 9.098 4.867 1.00 0.00 C ATOM 665 O ASN A 46 3.306 10.150 5.246 1.00 0.00 O ATOM 666 CB ASN A 46 4.809 10.493 3.079 1.00 0.00 C ATOM 667 CG ASN A 46 5.642 11.337 4.047 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.126 12.021 4.916 1.00 0.00 O ATOM 669 ND2 ASN A 46 6.954 11.252 3.848 1.00 0.00 N ATOM 0 H ASN A 46 4.569 7.445 2.258 1.00 0.00 H new ATOM 0 HA ASN A 46 5.649 8.641 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.282 10.486 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.824 10.942 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.595 11.779 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.319 10.660 3.102 1.00 0.00 H new ATOM 676 N ARG A 47 3.699 7.937 5.496 1.00 0.00 N ATOM 677 CA ARG A 47 2.927 7.825 6.721 1.00 0.00 C ATOM 678 C ARG A 47 3.698 7.010 7.762 1.00 0.00 C ATOM 679 O ARG A 47 4.845 6.630 7.532 1.00 0.00 O ATOM 680 CB ARG A 47 1.575 7.159 6.462 1.00 0.00 C ATOM 681 CG ARG A 47 0.476 8.206 6.266 1.00 0.00 C ATOM 682 CD ARG A 47 0.254 9.013 7.547 1.00 0.00 C ATOM 683 NE ARG A 47 -1.013 9.772 7.454 1.00 0.00 N ATOM 684 CZ ARG A 47 -1.464 10.601 8.405 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.754 10.782 9.527 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.625 11.248 8.234 1.00 0.00 N ATOM 0 H ARG A 47 4.125 7.066 5.179 1.00 0.00 H new ATOM 0 HA ARG A 47 2.756 8.833 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.641 6.526 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.319 6.510 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.749 8.877 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.453 7.714 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.225 8.344 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.087 9.698 7.704 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.579 9.657 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.129 10.289 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.097 11.413 10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.165 11.109 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.969 11.879 8.958 1.00 0.00 H new ATOM 700 N THR A 48 3.037 6.765 8.884 1.00 0.00 N ATOM 701 CA THR A 48 3.646 6.002 9.960 1.00 0.00 C ATOM 702 C THR A 48 3.133 4.561 9.948 1.00 0.00 C ATOM 703 O THR A 48 2.524 4.123 8.973 1.00 0.00 O ATOM 704 CB THR A 48 3.369 6.735 11.274 1.00 0.00 C ATOM 705 OG1 THR A 48 1.955 6.910 11.283 1.00 0.00 O ATOM 706 CG2 THR A 48 3.921 8.162 11.277 1.00 0.00 C ATOM 0 H THR A 48 2.086 7.082 9.071 1.00 0.00 H new ATOM 0 HA THR A 48 4.726 5.930 9.833 1.00 0.00 H new ATOM 0 HB THR A 48 3.807 6.175 12.100 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.688 7.376 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.697 8.637 12.232 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.001 8.135 11.130 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.459 8.732 10.471 1.00 0.00 H new ATOM 714 N GLN A 49 3.399 3.863 11.042 1.00 0.00 N ATOM 715 CA GLN A 49 2.972 2.480 11.170 1.00 0.00 C ATOM 716 C GLN A 49 1.662 2.399 11.957 1.00 0.00 C ATOM 717 O GLN A 49 0.779 1.612 11.620 1.00 0.00 O ATOM 718 CB GLN A 49 4.060 1.629 11.828 1.00 0.00 C ATOM 719 CG GLN A 49 3.493 0.294 12.314 1.00 0.00 C ATOM 720 CD GLN A 49 3.177 0.344 13.810 1.00 0.00 C ATOM 721 OE1 GLN A 49 2.363 1.127 14.273 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.864 -0.531 14.538 1.00 0.00 N ATOM 0 H GLN A 49 3.905 4.229 11.848 1.00 0.00 H new ATOM 0 HA GLN A 49 2.798 2.080 10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.866 1.448 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.493 2.172 12.668 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.588 0.054 11.755 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.210 -0.503 12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.530 -1.158 14.087 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.725 -0.575 15.547 1.00 0.00 H new ATOM 731 N GLY A 50 1.578 3.224 12.990 1.00 0.00 N ATOM 732 CA GLY A 50 0.391 3.256 13.828 1.00 0.00 C ATOM 733 C GLY A 50 -0.847 3.630 13.010 1.00 0.00 C ATOM 734 O GLY A 50 -1.966 3.275 13.375 1.00 0.00 O ATOM 0 H GLY A 50 2.313 3.876 13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.243 2.281 14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.530 3.976 14.634 1.00 0.00 H new ATOM 738 N LEU A 51 -0.603 4.344 11.921 1.00 0.00 N ATOM 739 CA LEU A 51 -1.684 4.770 11.049 1.00 0.00 C ATOM 740 C LEU A 51 -2.049 3.628 10.099 1.00 0.00 C ATOM 741 O LEU A 51 -3.183 3.152 10.101 1.00 0.00 O ATOM 742 CB LEU A 51 -1.314 6.071 10.333 1.00 0.00 C ATOM 743 CG LEU A 51 -2.239 6.495 9.190 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.839 5.813 7.880 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.704 6.237 9.547 1.00 0.00 C ATOM 0 H LEU A 51 0.327 4.638 11.623 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.576 4.997 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.289 6.874 11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.303 5.970 9.937 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.128 7.569 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.512 6.131 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.817 6.090 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.903 4.731 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.340 6.547 8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.850 5.174 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.967 6.806 10.439 1.00 0.00 H new ATOM 757 N LEU A 52 -1.066 3.221 9.309 1.00 0.00 N ATOM 758 CA LEU A 52 -1.269 2.143 8.356 1.00 0.00 C ATOM 759 C LEU A 52 -1.988 0.984 9.050 1.00 0.00 C ATOM 760 O LEU A 52 -2.864 0.351 8.461 1.00 0.00 O ATOM 761 CB LEU A 52 0.059 1.744 7.708 1.00 0.00 C ATOM 762 CG LEU A 52 0.045 0.448 6.895 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.857 0.581 5.667 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.465 0.021 6.520 1.00 0.00 C ATOM 0 H LEU A 52 -0.127 3.619 9.309 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.910 2.472 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.381 2.556 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.810 1.649 8.493 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.374 -0.342 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.849 -0.354 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.875 0.804 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.491 1.388 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.427 -0.903 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.934 0.803 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.047 -0.142 7.427 1.00 0.00 H new ATOM 776 N SER A 53 -1.591 0.740 10.290 1.00 0.00 N ATOM 777 CA SER A 53 -2.187 -0.332 11.069 1.00 0.00 C ATOM 778 C SER A 53 -3.688 -0.087 11.234 1.00 0.00 C ATOM 779 O SER A 53 -4.491 -1.005 11.076 1.00 0.00 O ATOM 780 CB SER A 53 -1.516 -0.455 12.439 1.00 0.00 C ATOM 781 OG SER A 53 -0.935 -1.742 12.635 1.00 0.00 O ATOM 0 H SER A 53 -0.864 1.266 10.775 1.00 0.00 H new ATOM 0 HA SER A 53 -2.035 -1.269 10.534 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.745 0.309 12.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.251 -0.266 13.221 1.00 0.00 H new ATOM 0 HG SER A 53 -0.298 -1.926 11.914 1.00 0.00 H new ATOM 787 N GLU A 54 -4.021 1.156 11.550 1.00 0.00 N ATOM 788 CA GLU A 54 -5.412 1.533 11.737 1.00 0.00 C ATOM 789 C GLU A 54 -6.188 1.369 10.429 1.00 0.00 C ATOM 790 O GLU A 54 -7.391 1.113 10.444 1.00 0.00 O ATOM 791 CB GLU A 54 -5.526 2.964 12.267 1.00 0.00 C ATOM 792 CG GLU A 54 -5.912 3.933 11.148 1.00 0.00 C ATOM 793 CD GLU A 54 -5.790 5.385 11.615 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.945 5.626 12.504 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.543 6.222 11.071 1.00 0.00 O ATOM 0 H GLU A 54 -3.352 1.915 11.681 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.851 0.869 12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.272 3.003 13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.577 3.270 12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.269 3.770 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.935 3.735 10.827 1.00 0.00 H new ATOM 802 N ILE A 55 -5.467 1.525 9.328 1.00 0.00 N ATOM 803 CA ILE A 55 -6.073 1.397 8.013 1.00 0.00 C ATOM 804 C ILE A 55 -6.273 -0.084 7.690 1.00 0.00 C ATOM 805 O ILE A 55 -7.135 -0.437 6.886 1.00 0.00 O ATOM 806 CB ILE A 55 -5.246 2.149 6.967 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.257 3.655 7.238 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.721 1.817 5.551 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.158 4.363 6.444 1.00 0.00 C ATOM 0 H ILE A 55 -4.470 1.739 9.319 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.059 1.862 8.001 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.211 1.816 7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.229 4.069 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.116 3.837 8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.117 2.364 4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.618 0.746 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.767 2.104 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.188 5.432 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.186 3.963 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.316 4.199 5.378 1.00 0.00 H new ATOM 821 N LEU A 56 -5.462 -0.912 8.332 1.00 0.00 N ATOM 822 CA LEU A 56 -5.539 -2.348 8.122 1.00 0.00 C ATOM 823 C LEU A 56 -6.502 -2.957 9.144 1.00 0.00 C ATOM 824 O LEU A 56 -6.921 -4.104 9.000 1.00 0.00 O ATOM 825 CB LEU A 56 -4.141 -2.969 8.149 1.00 0.00 C ATOM 826 CG LEU A 56 -3.141 -2.415 7.132 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.702 -2.640 7.600 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.391 -3.003 5.742 1.00 0.00 C ATOM 0 H LEU A 56 -4.748 -0.616 8.998 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.941 -2.568 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.725 -2.835 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.239 -4.042 7.985 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.290 -1.338 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.011 -2.237 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.546 -2.135 8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.522 -3.708 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.667 -2.593 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.285 -4.087 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.399 -2.748 5.415 1.00 0.00 H new ATOM 840 N ARG A 57 -6.825 -2.161 10.153 1.00 0.00 N ATOM 841 CA ARG A 57 -7.731 -2.607 11.198 1.00 0.00 C ATOM 842 C ARG A 57 -9.168 -2.203 10.862 1.00 0.00 C ATOM 843 O ARG A 57 -10.087 -3.013 10.977 1.00 0.00 O ATOM 844 CB ARG A 57 -7.344 -2.012 12.553 1.00 0.00 C ATOM 845 CG ARG A 57 -6.232 -2.829 13.214 1.00 0.00 C ATOM 846 CD ARG A 57 -6.078 -2.453 14.689 1.00 0.00 C ATOM 847 NE ARG A 57 -4.955 -1.503 14.854 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.737 -0.783 15.963 1.00 0.00 C ATOM 849 NH1 ARG A 57 -5.564 -0.901 17.011 1.00 0.00 N ATOM 850 NH2 ARG A 57 -3.693 0.054 16.024 1.00 0.00 N ATOM 0 H ARG A 57 -6.475 -1.210 10.269 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.660 -3.693 11.258 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.013 -0.982 12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.217 -1.985 13.205 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.457 -3.892 13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.291 -2.658 12.691 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.001 -2.005 15.057 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.898 -3.348 15.284 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.307 -1.389 14.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.359 -1.539 16.964 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.399 -0.353 17.855 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.064 0.143 15.226 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.527 0.602 16.868 1.00 0.00 H new ATOM 864 N LYS A 58 -9.317 -0.952 10.454 1.00 0.00 N ATOM 865 CA LYS A 58 -10.627 -0.431 10.101 1.00 0.00 C ATOM 866 C LYS A 58 -10.928 -0.768 8.640 1.00 0.00 C ATOM 867 O LYS A 58 -12.042 -1.170 8.309 1.00 0.00 O ATOM 868 CB LYS A 58 -10.712 1.064 10.418 1.00 0.00 C ATOM 869 CG LYS A 58 -10.558 1.316 11.920 1.00 0.00 C ATOM 870 CD LYS A 58 -10.053 2.735 12.189 1.00 0.00 C ATOM 871 CE LYS A 58 -9.512 2.863 13.614 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.433 3.665 14.449 1.00 0.00 N ATOM 0 H LYS A 58 -8.552 -0.283 10.360 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.401 -0.906 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.934 1.599 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.669 1.458 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.516 1.167 12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.862 0.592 12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.269 2.988 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.864 3.448 12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.385 1.873 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.528 3.332 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.050 3.742 15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.534 4.616 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.364 3.202 14.482 1.00 0.00 H new ATOM 886 N GLU A 59 -9.915 -0.591 7.804 1.00 0.00 N ATOM 887 CA GLU A 59 -10.058 -0.871 6.386 1.00 0.00 C ATOM 888 C GLU A 59 -11.108 0.053 5.765 1.00 0.00 C ATOM 889 O GLU A 59 -11.963 -0.397 5.003 1.00 0.00 O ATOM 890 CB GLU A 59 -10.412 -2.341 6.150 1.00 0.00 C ATOM 891 CG GLU A 59 -9.187 -3.237 6.337 1.00 0.00 C ATOM 892 CD GLU A 59 -9.357 -4.561 5.589 1.00 0.00 C ATOM 893 OE1 GLU A 59 -10.523 -4.988 5.450 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.317 -5.117 5.175 1.00 0.00 O ATOM 0 H GLU A 59 -8.992 -0.257 8.082 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.101 -0.679 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.198 -2.645 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.808 -2.466 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.297 -2.722 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.033 -3.432 7.398 1.00 0.00 H new ATOM 901 N GLU A 60 -11.008 1.327 6.114 1.00 0.00 N ATOM 902 CA GLU A 60 -11.939 2.318 5.600 1.00 0.00 C ATOM 903 C GLU A 60 -12.108 2.154 4.088 1.00 0.00 C ATOM 904 O GLU A 60 -11.225 2.527 3.317 1.00 0.00 O ATOM 905 CB GLU A 60 -11.479 3.735 5.950 1.00 0.00 C ATOM 906 CG GLU A 60 -12.336 4.328 7.070 1.00 0.00 C ATOM 907 CD GLU A 60 -12.604 5.815 6.827 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.049 6.336 5.836 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.357 6.396 7.638 1.00 0.00 O ATOM 0 H GLU A 60 -10.297 1.696 6.746 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.908 2.158 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.434 3.716 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.539 4.370 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.282 3.790 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.831 4.198 8.027 1.00 0.00 H new ATOM 916 N ASP A 61 -13.248 1.596 3.710 1.00 0.00 N ATOM 917 CA ASP A 61 -13.545 1.378 2.304 1.00 0.00 C ATOM 918 C ASP A 61 -13.130 2.614 1.503 1.00 0.00 C ATOM 919 O ASP A 61 -13.367 3.743 1.930 1.00 0.00 O ATOM 920 CB ASP A 61 -15.042 1.153 2.085 1.00 0.00 C ATOM 921 CG ASP A 61 -15.412 -0.214 1.505 1.00 0.00 C ATOM 922 OD1 ASP A 61 -14.500 -0.857 0.942 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.599 -0.584 1.638 1.00 0.00 O ATOM 0 H ASP A 61 -13.978 1.288 4.353 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.997 0.495 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.556 1.278 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.417 1.928 1.417 1.00 0.00 H new ATOM 928 N PRO A 62 -12.504 2.351 0.325 1.00 0.00 N ATOM 929 CA PRO A 62 -12.054 3.429 -0.540 1.00 0.00 C ATOM 930 C PRO A 62 -13.234 4.073 -1.272 1.00 0.00 C ATOM 931 O PRO A 62 -13.050 5.000 -2.059 1.00 0.00 O ATOM 932 CB PRO A 62 -11.052 2.784 -1.483 1.00 0.00 C ATOM 933 CG PRO A 62 -11.320 1.290 -1.419 1.00 0.00 C ATOM 934 CD PRO A 62 -12.207 1.027 -0.213 1.00 0.00 C ATOM 0 HA PRO A 62 -11.592 4.247 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.175 3.159 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.030 3.011 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.807 0.950 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.384 0.738 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.119 0.502 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.699 0.405 0.524 1.00 0.00 H new ATOM 942 N ARG A 63 -14.420 3.556 -0.985 1.00 0.00 N ATOM 943 CA ARG A 63 -15.630 4.069 -1.606 1.00 0.00 C ATOM 944 C ARG A 63 -16.213 5.209 -0.768 1.00 0.00 C ATOM 945 O ARG A 63 -16.759 6.168 -1.313 1.00 0.00 O ATOM 946 CB ARG A 63 -16.680 2.968 -1.758 1.00 0.00 C ATOM 947 CG ARG A 63 -16.152 1.822 -2.623 1.00 0.00 C ATOM 948 CD ARG A 63 -16.681 1.925 -4.054 1.00 0.00 C ATOM 949 NE ARG A 63 -17.034 0.580 -4.562 1.00 0.00 N ATOM 950 CZ ARG A 63 -17.705 0.359 -5.701 1.00 0.00 C ATOM 951 NH1 ARG A 63 -18.100 1.392 -6.456 1.00 0.00 N ATOM 952 NH2 ARG A 63 -17.981 -0.895 -6.083 1.00 0.00 N ATOM 0 H ARG A 63 -14.569 2.788 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.364 4.440 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.958 2.588 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.583 3.381 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.062 1.841 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.450 0.867 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.556 2.574 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.927 2.379 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.749 -0.229 -4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.890 2.347 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.611 1.224 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.681 -1.681 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.492 -1.063 -6.950 1.00 0.00 H new ATOM 966 N THR A 64 -16.078 5.067 0.542 1.00 0.00 N ATOM 967 CA THR A 64 -16.585 6.073 1.460 1.00 0.00 C ATOM 968 C THR A 64 -15.430 6.754 2.196 1.00 0.00 C ATOM 969 O THR A 64 -15.586 7.857 2.718 1.00 0.00 O ATOM 970 CB THR A 64 -17.588 5.396 2.396 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.815 4.413 3.080 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.640 4.582 1.639 1.00 0.00 C ATOM 0 H THR A 64 -15.625 4.271 0.990 1.00 0.00 H new ATOM 0 HA THR A 64 -17.103 6.870 0.927 1.00 0.00 H new ATOM 0 HB THR A 64 -18.084 6.152 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.387 3.927 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.326 4.123 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.196 5.239 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.148 3.804 1.056 1.00 0.00 H new ATOM 980 N ALA A 65 -14.297 6.068 2.216 1.00 0.00 N ATOM 981 CA ALA A 65 -13.116 6.593 2.879 1.00 0.00 C ATOM 982 C ALA A 65 -13.010 8.095 2.611 1.00 0.00 C ATOM 983 O ALA A 65 -13.279 8.551 1.500 1.00 0.00 O ATOM 984 CB ALA A 65 -11.880 5.827 2.403 1.00 0.00 C ATOM 0 H ALA A 65 -14.172 5.153 1.783 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.189 6.456 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.994 6.221 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.992 4.770 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.773 5.944 1.325 1.00 0.00 H new ATOM 990 N SER A 66 -12.618 8.823 3.646 1.00 0.00 N ATOM 991 CA SER A 66 -12.473 10.265 3.535 1.00 0.00 C ATOM 992 C SER A 66 -11.286 10.604 2.632 1.00 0.00 C ATOM 993 O SER A 66 -10.285 9.890 2.622 1.00 0.00 O ATOM 994 CB SER A 66 -12.293 10.908 4.912 1.00 0.00 C ATOM 995 OG SER A 66 -13.519 11.421 5.426 1.00 0.00 O ATOM 0 H SER A 66 -12.396 8.442 4.566 1.00 0.00 H new ATOM 0 HA SER A 66 -13.384 10.667 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.889 10.171 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.563 11.715 4.843 1.00 0.00 H new ATOM 0 HG SER A 66 -13.362 11.821 6.307 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.437 11.694 1.894 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.390 12.137 0.989 1.00 0.00 C ATOM 1003 C GLN A 67 -9.018 11.980 1.648 1.00 0.00 C ATOM 1004 O GLN A 67 -8.060 11.559 1.002 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.624 13.582 0.546 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.155 13.637 -0.888 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.353 15.084 -1.345 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -10.590 15.976 -1.014 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.416 15.265 -2.123 1.00 0.00 N ATOM 0 H GLN A 67 -12.269 12.284 1.904 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.417 11.510 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.334 14.062 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.692 14.142 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.458 13.133 -1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.101 13.100 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.014 14.474 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.634 16.195 -2.481 1.00 0.00 H new ATOM 1018 N SER A 68 -8.968 12.328 2.925 1.00 0.00 N ATOM 1019 CA SER A 68 -7.729 12.232 3.679 1.00 0.00 C ATOM 1020 C SER A 68 -7.154 10.819 3.561 1.00 0.00 C ATOM 1021 O SER A 68 -5.957 10.649 3.335 1.00 0.00 O ATOM 1022 CB SER A 68 -7.948 12.595 5.148 1.00 0.00 C ATOM 1023 OG SER A 68 -7.010 13.566 5.604 1.00 0.00 O ATOM 0 H SER A 68 -9.765 12.677 3.457 1.00 0.00 H new ATOM 0 HA SER A 68 -7.018 12.944 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.960 12.979 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.866 11.696 5.760 1.00 0.00 H new ATOM 0 HG SER A 68 -7.184 13.772 6.546 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.034 9.841 3.720 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.629 8.448 3.635 1.00 0.00 C ATOM 1031 C LEU A 69 -7.407 8.075 2.168 1.00 0.00 C ATOM 1032 O LEU A 69 -6.339 7.588 1.802 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.640 7.551 4.352 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.053 6.398 5.168 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.095 5.819 6.127 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.457 5.326 4.254 1.00 0.00 C ATOM 0 H LEU A 69 -9.026 9.986 3.907 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.681 8.295 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.239 8.172 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.318 7.134 3.607 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.238 6.791 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.652 5.001 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.430 6.597 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.946 5.446 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.047 4.518 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.235 4.931 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.664 5.764 3.648 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.435 8.318 1.367 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.366 8.013 -0.052 1.00 0.00 C ATOM 1050 C LEU A 70 -7.007 8.457 -0.599 1.00 0.00 C ATOM 1051 O LEU A 70 -6.359 7.716 -1.337 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.556 8.628 -0.790 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.732 7.688 -1.066 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.908 8.448 -1.684 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.296 6.504 -1.932 1.00 0.00 C ATOM 0 H LEU A 70 -9.320 8.722 1.674 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.440 6.938 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.921 9.474 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.202 9.025 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.075 7.282 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.730 7.757 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.238 9.228 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.595 8.901 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.150 5.852 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.912 6.871 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.515 5.945 -1.417 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.617 9.664 -0.216 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.347 10.215 -0.659 1.00 0.00 C ATOM 1069 C VAL A 71 -4.242 9.180 -0.438 1.00 0.00 C ATOM 1070 O VAL A 71 -3.386 8.987 -1.300 1.00 0.00 O ATOM 1071 CB VAL A 71 -5.076 11.541 0.053 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.574 11.827 0.125 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.821 12.691 -0.627 1.00 0.00 C ATOM 0 H VAL A 71 -7.158 10.276 0.396 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.377 10.435 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.451 11.456 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.408 12.776 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.077 11.027 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.165 11.882 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.611 13.622 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.491 12.777 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.893 12.495 -0.603 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.297 8.542 0.722 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.311 7.532 1.067 1.00 0.00 C ATOM 1085 C ASN A 72 -3.628 6.238 0.315 1.00 0.00 C ATOM 1086 O ASN A 72 -2.755 5.661 -0.331 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.337 7.226 2.566 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.727 8.376 3.371 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.712 8.950 3.011 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.401 8.679 4.477 1.00 0.00 N ATOM 0 H ASN A 72 -5.009 8.705 1.434 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.327 7.914 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.364 7.056 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.785 6.307 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.075 9.432 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.244 8.158 4.720 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.880 5.819 0.425 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.323 4.603 -0.236 1.00 0.00 C ATOM 1099 C LEU A 73 -4.848 4.617 -1.691 1.00 0.00 C ATOM 1100 O LEU A 73 -4.304 3.628 -2.179 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.836 4.432 -0.085 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.376 4.473 1.346 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.900 4.338 1.361 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.698 3.413 2.218 1.00 0.00 C ATOM 0 H LEU A 73 -5.602 6.300 0.962 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.878 3.728 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.329 5.215 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.121 3.480 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.135 5.446 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.258 4.370 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.344 5.158 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.186 3.389 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.100 3.463 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.887 2.424 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.624 3.596 2.244 1.00 0.00 H new ATOM 1116 N ARG A 74 -5.072 5.749 -2.342 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.674 5.905 -3.731 1.00 0.00 C ATOM 1118 C ARG A 74 -3.150 5.849 -3.855 1.00 0.00 C ATOM 1119 O ARG A 74 -2.620 5.203 -4.759 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.177 7.231 -4.303 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.541 7.057 -4.973 1.00 0.00 C ATOM 1122 CD ARG A 74 -7.266 8.399 -5.098 1.00 0.00 C ATOM 1123 NE ARG A 74 -8.290 8.323 -6.163 1.00 0.00 N ATOM 1124 CZ ARG A 74 -9.066 9.351 -6.533 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.939 10.539 -5.927 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.970 9.191 -7.510 1.00 0.00 N ATOM 0 H ARG A 74 -5.524 6.567 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.119 5.087 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.251 7.970 -3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.458 7.615 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.411 6.616 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.149 6.364 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.735 8.658 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.550 9.189 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.413 7.433 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.251 10.661 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.530 11.321 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.067 8.287 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.561 9.974 -7.792 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.487 6.534 -2.935 1.00 0.00 N ATOM 1141 CA ALA A 75 -1.034 6.570 -2.930 1.00 0.00 C ATOM 1142 C ALA A 75 -0.493 5.140 -2.868 1.00 0.00 C ATOM 1143 O ALA A 75 0.293 4.733 -3.722 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.549 7.429 -1.761 1.00 0.00 C ATOM 0 H ALA A 75 -2.929 7.069 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.658 7.025 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.541 7.456 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.937 8.442 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.905 7.002 -0.823 1.00 0.00 H new ATOM 1150 N MET A 76 -0.935 4.418 -1.850 1.00 0.00 N ATOM 1151 CA MET A 76 -0.505 3.042 -1.665 1.00 0.00 C ATOM 1152 C MET A 76 -0.614 2.254 -2.972 1.00 0.00 C ATOM 1153 O MET A 76 0.388 1.763 -3.491 1.00 0.00 O ATOM 1154 CB MET A 76 -1.370 2.376 -0.593 1.00 0.00 C ATOM 1155 CG MET A 76 -0.964 2.843 0.806 1.00 0.00 C ATOM 1156 SD MET A 76 -2.033 2.104 2.030 1.00 0.00 S ATOM 1157 CE MET A 76 -3.077 3.500 2.413 1.00 0.00 C ATOM 0 H MET A 76 -1.587 4.760 -1.144 1.00 0.00 H new ATOM 0 HA MET A 76 0.539 3.046 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.420 2.612 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.271 1.293 -0.662 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.072 2.569 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.024 3.930 0.867 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.951 3.159 2.968 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.520 4.216 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.399 3.978 1.488 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.839 2.156 -3.467 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.092 1.436 -4.703 1.00 0.00 C ATOM 1169 C GLN A 77 -1.112 1.884 -5.788 1.00 0.00 C ATOM 1170 O GLN A 77 -0.776 1.111 -6.684 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.540 1.623 -5.160 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.822 0.819 -6.431 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.669 -0.418 -6.121 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.757 -0.603 -6.641 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.111 -1.250 -5.246 1.00 0.00 N ATOM 0 H GLN A 77 -2.668 2.564 -3.034 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.939 0.373 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.219 1.307 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.734 2.680 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.341 1.447 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.881 0.514 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.197 -1.034 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.597 -2.104 -4.972 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.681 3.132 -5.673 1.00 0.00 N ATOM 1185 CA ASN A 78 0.254 3.692 -6.634 1.00 0.00 C ATOM 1186 C ASN A 78 1.638 3.079 -6.409 1.00 0.00 C ATOM 1187 O ASN A 78 2.388 2.865 -7.361 1.00 0.00 O ATOM 1188 CB ASN A 78 0.375 5.208 -6.465 1.00 0.00 C ATOM 1189 CG ASN A 78 0.058 5.933 -7.775 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.272 5.424 -8.863 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.462 7.145 -7.610 1.00 0.00 N ATOM 0 H ASN A 78 -0.962 3.771 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.116 3.469 -7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.306 5.546 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.384 5.462 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.708 7.709 -8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.615 7.511 -6.670 1.00 0.00 H new ATOM 1198 N PHE A 79 1.935 2.815 -5.145 1.00 0.00 N ATOM 1199 CA PHE A 79 3.215 2.231 -4.784 1.00 0.00 C ATOM 1200 C PHE A 79 3.246 0.735 -5.104 1.00 0.00 C ATOM 1201 O PHE A 79 4.249 0.224 -5.601 1.00 0.00 O ATOM 1202 CB PHE A 79 3.383 2.421 -3.275 1.00 0.00 C ATOM 1203 CG PHE A 79 4.615 1.724 -2.693 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.858 2.065 -3.129 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.468 0.765 -1.741 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.001 1.419 -2.589 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.611 0.118 -1.202 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.854 0.459 -1.637 1.00 0.00 C ATOM 0 H PHE A 79 1.311 2.995 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 79 4.015 2.712 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.445 3.487 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.493 2.045 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.975 2.827 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.481 0.495 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.988 1.690 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.494 -0.645 -0.447 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.724 -0.032 -1.227 1.00 0.00 H new ATOM 1218 N LEU A 80 2.136 0.076 -4.807 1.00 0.00 N ATOM 1219 CA LEU A 80 2.023 -1.351 -5.058 1.00 0.00 C ATOM 1220 C LEU A 80 2.061 -1.604 -6.566 1.00 0.00 C ATOM 1221 O LEU A 80 2.184 -2.747 -7.004 1.00 0.00 O ATOM 1222 CB LEU A 80 0.781 -1.919 -4.369 1.00 0.00 C ATOM 1223 CG LEU A 80 0.715 -1.742 -2.851 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.713 -1.935 -2.337 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.707 -2.671 -2.147 1.00 0.00 C ATOM 0 H LEU A 80 1.307 0.504 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 80 2.870 -1.883 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.100 -1.450 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.721 -2.984 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 80 1.007 -0.719 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.731 -1.804 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.370 -1.200 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.057 -2.939 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.640 -2.525 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.470 -3.707 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.719 -2.443 -2.482 1.00 0.00 H new ATOM 1237 N ASN A 81 1.952 -0.519 -7.319 1.00 0.00 N ATOM 1238 CA ASN A 81 1.972 -0.610 -8.769 1.00 0.00 C ATOM 1239 C ASN A 81 3.422 -0.626 -9.255 1.00 0.00 C ATOM 1240 O ASN A 81 3.690 -0.947 -10.412 1.00 0.00 O ATOM 1241 CB ASN A 81 1.273 0.594 -9.405 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.248 0.433 -9.359 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.777 -0.620 -9.042 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.918 1.532 -9.692 1.00 0.00 N ATOM 0 H ASN A 81 1.850 0.427 -6.952 1.00 0.00 H new ATOM 0 HA ASN A 81 1.452 -1.523 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.562 1.505 -8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.599 0.704 -10.439 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.938 1.527 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.412 2.380 -9.947 1.00 0.00 H new ATOM 1251 N LEU A 82 4.321 -0.276 -8.346 1.00 0.00 N ATOM 1252 CA LEU A 82 5.738 -0.246 -8.668 1.00 0.00 C ATOM 1253 C LEU A 82 6.259 -1.679 -8.789 1.00 0.00 C ATOM 1254 O LEU A 82 5.660 -2.609 -8.250 1.00 0.00 O ATOM 1255 CB LEU A 82 6.501 0.602 -7.649 1.00 0.00 C ATOM 1256 CG LEU A 82 6.389 2.118 -7.820 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.265 2.851 -6.802 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.711 2.533 -9.257 1.00 0.00 C ATOM 0 H LEU A 82 4.096 -0.011 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 82 5.900 0.235 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.147 0.342 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.555 0.328 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 82 5.357 2.408 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.167 3.927 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.947 2.589 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.306 2.560 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.624 3.615 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.728 2.228 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.011 2.052 -9.940 1.00 0.00 H new ATOM 1270 N PRO A 83 7.399 -1.817 -9.518 1.00 0.00 N ATOM 1271 CA PRO A 83 8.008 -3.121 -9.716 1.00 0.00 C ATOM 1272 C PRO A 83 8.721 -3.592 -8.447 1.00 0.00 C ATOM 1273 O PRO A 83 9.324 -2.790 -7.736 1.00 0.00 O ATOM 1274 CB PRO A 83 8.950 -2.940 -10.895 1.00 0.00 C ATOM 1275 CG PRO A 83 9.183 -1.443 -11.017 1.00 0.00 C ATOM 1276 CD PRO A 83 8.136 -0.738 -10.170 1.00 0.00 C ATOM 0 HA PRO A 83 7.275 -3.900 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.889 -3.469 -10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.514 -3.343 -11.809 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.186 -1.184 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.107 -1.128 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.599 -0.076 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.478 -0.124 -10.784 1.00 0.00 H new ATOM 1284 N GLU A 84 8.629 -4.891 -8.202 1.00 0.00 N ATOM 1285 CA GLU A 84 9.258 -5.478 -7.032 1.00 0.00 C ATOM 1286 C GLU A 84 10.661 -4.898 -6.836 1.00 0.00 C ATOM 1287 O GLU A 84 11.054 -4.580 -5.714 1.00 0.00 O ATOM 1288 CB GLU A 84 9.306 -7.003 -7.142 1.00 0.00 C ATOM 1289 CG GLU A 84 9.845 -7.629 -5.854 1.00 0.00 C ATOM 1290 CD GLU A 84 9.353 -9.070 -5.697 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.117 -9.251 -5.703 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.225 -9.957 -5.576 1.00 0.00 O ATOM 0 H GLU A 84 8.128 -5.553 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 84 8.657 -5.228 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.307 -7.388 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.938 -7.291 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.935 -7.612 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.526 -7.037 -4.996 1.00 0.00 H new ATOM 1299 N VAL A 85 11.377 -4.777 -7.944 1.00 0.00 N ATOM 1300 CA VAL A 85 12.727 -4.241 -7.908 1.00 0.00 C ATOM 1301 C VAL A 85 12.714 -2.886 -7.198 1.00 0.00 C ATOM 1302 O VAL A 85 13.604 -2.589 -6.403 1.00 0.00 O ATOM 1303 CB VAL A 85 13.299 -4.169 -9.325 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.863 -5.378 -10.155 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.900 -2.860 -10.011 1.00 0.00 C ATOM 0 H VAL A 85 11.048 -5.041 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 85 13.385 -4.899 -7.340 1.00 0.00 H new ATOM 0 HB VAL A 85 14.386 -4.190 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.283 -5.302 -11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.219 -6.292 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.775 -5.402 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.319 -2.834 -11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.813 -2.796 -10.069 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.283 -2.017 -9.436 1.00 0.00 H new ATOM 1315 N GLU A 86 11.695 -2.099 -7.512 1.00 0.00 N ATOM 1316 CA GLU A 86 11.554 -0.782 -6.914 1.00 0.00 C ATOM 1317 C GLU A 86 11.269 -0.907 -5.416 1.00 0.00 C ATOM 1318 O GLU A 86 12.036 -0.413 -4.591 1.00 0.00 O ATOM 1319 CB GLU A 86 10.460 0.024 -7.616 1.00 0.00 C ATOM 1320 CG GLU A 86 11.026 0.793 -8.811 1.00 0.00 C ATOM 1321 CD GLU A 86 10.068 1.902 -9.253 1.00 0.00 C ATOM 1322 OE1 GLU A 86 9.841 2.816 -8.432 1.00 0.00 O ATOM 1323 OE2 GLU A 86 9.585 1.809 -10.402 1.00 0.00 O ATOM 0 H GLU A 86 10.959 -2.348 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 86 12.493 -0.244 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.669 -0.646 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.008 0.722 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.991 1.225 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.201 0.107 -9.640 1.00 0.00 H new ATOM 1330 N ARG A 87 10.164 -1.570 -5.110 1.00 0.00 N ATOM 1331 CA ARG A 87 9.768 -1.766 -3.726 1.00 0.00 C ATOM 1332 C ARG A 87 10.905 -2.418 -2.936 1.00 0.00 C ATOM 1333 O ARG A 87 11.198 -2.011 -1.813 1.00 0.00 O ATOM 1334 CB ARG A 87 8.519 -2.645 -3.629 1.00 0.00 C ATOM 1335 CG ARG A 87 7.475 -2.230 -4.668 1.00 0.00 C ATOM 1336 CD ARG A 87 6.074 -2.679 -4.246 1.00 0.00 C ATOM 1337 NE ARG A 87 5.770 -4.003 -4.832 1.00 0.00 N ATOM 1338 CZ ARG A 87 6.170 -5.168 -4.305 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.894 -5.179 -3.177 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.848 -6.322 -4.905 1.00 0.00 N ATOM 0 H ARG A 87 9.530 -1.978 -5.797 1.00 0.00 H new ATOM 0 HA ARG A 87 9.542 -0.787 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.792 -3.689 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.093 -2.568 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.492 -1.147 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.725 -2.667 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.011 -2.730 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.335 -1.948 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 87 5.221 -4.031 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.140 -4.301 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.199 -6.066 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.298 -6.314 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.153 -7.208 -4.503 1.00 0.00 H new ATOM 1354 N ASP A 88 11.513 -3.420 -3.554 1.00 0.00 N ATOM 1355 CA ASP A 88 12.611 -4.132 -2.922 1.00 0.00 C ATOM 1356 C ASP A 88 13.667 -3.126 -2.460 1.00 0.00 C ATOM 1357 O ASP A 88 14.019 -3.087 -1.282 1.00 0.00 O ATOM 1358 CB ASP A 88 13.277 -5.099 -3.903 1.00 0.00 C ATOM 1359 CG ASP A 88 12.658 -6.498 -3.953 1.00 0.00 C ATOM 1360 OD1 ASP A 88 11.554 -6.650 -3.387 1.00 0.00 O ATOM 1361 OD2 ASP A 88 13.304 -7.383 -4.555 1.00 0.00 O ATOM 0 H ASP A 88 11.266 -3.756 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 88 12.208 -4.693 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.237 -4.664 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.330 -5.193 -3.638 1.00 0.00 H new ATOM 1366 N ARG A 89 14.144 -2.337 -3.412 1.00 0.00 N ATOM 1367 CA ARG A 89 15.153 -1.334 -3.117 1.00 0.00 C ATOM 1368 C ARG A 89 14.564 -0.234 -2.232 1.00 0.00 C ATOM 1369 O ARG A 89 15.155 0.135 -1.218 1.00 0.00 O ATOM 1370 CB ARG A 89 15.699 -0.708 -4.402 1.00 0.00 C ATOM 1371 CG ARG A 89 17.187 -1.020 -4.574 1.00 0.00 C ATOM 1372 CD ARG A 89 17.541 -1.200 -6.051 1.00 0.00 C ATOM 1373 NE ARG A 89 18.975 -1.541 -6.190 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.571 -1.821 -7.357 1.00 0.00 C ATOM 1375 NH1 ARG A 89 18.862 -1.801 -8.493 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.877 -2.120 -7.387 1.00 0.00 N ATOM 0 H ARG A 89 13.850 -2.372 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 89 15.970 -1.829 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.143 -1.086 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.551 0.372 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.783 -0.213 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.439 -1.926 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.927 -1.988 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.322 -0.284 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 89 19.545 -1.564 -5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.868 -1.573 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.316 -2.014 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.417 -2.134 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.331 -2.333 -8.275 1.00 0.00 H new ATOM 1390 N ILE A 90 13.407 0.261 -2.647 1.00 0.00 N ATOM 1391 CA ILE A 90 12.732 1.311 -1.905 1.00 0.00 C ATOM 1392 C ILE A 90 12.753 0.970 -0.413 1.00 0.00 C ATOM 1393 O ILE A 90 13.204 1.770 0.404 1.00 0.00 O ATOM 1394 CB ILE A 90 11.327 1.544 -2.463 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.386 2.241 -3.824 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.460 2.312 -1.463 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.033 2.172 -4.535 1.00 0.00 C ATOM 0 H ILE A 90 12.920 -0.047 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 90 13.257 2.259 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 90 10.856 0.573 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.678 3.283 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.151 1.772 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.466 2.464 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.378 1.741 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.917 3.279 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.103 2.675 -5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.755 1.129 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.275 2.663 -3.924 1.00 0.00 H new ATOM 1409 N TYR A 91 12.258 -0.220 -0.104 1.00 0.00 N ATOM 1410 CA TYR A 91 12.214 -0.677 1.274 1.00 0.00 C ATOM 1411 C TYR A 91 13.607 -0.652 1.905 1.00 0.00 C ATOM 1412 O TYR A 91 13.781 -0.156 3.017 1.00 0.00 O ATOM 1413 CB TYR A 91 11.715 -2.122 1.223 1.00 0.00 C ATOM 1414 CG TYR A 91 10.271 -2.265 0.737 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.327 -1.324 1.091 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.914 -3.337 -0.056 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.968 -1.458 0.633 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.555 -3.472 -0.514 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.649 -2.526 -0.147 1.00 0.00 C ATOM 1420 OH TYR A 91 6.366 -2.653 -0.579 1.00 0.00 O ATOM 0 H TYR A 91 11.884 -0.881 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 91 11.569 -0.033 1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.367 -2.698 0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.798 -2.559 2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.607 -0.486 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.653 -4.074 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.220 -0.728 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.262 -4.306 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 91 6.139 -1.895 -1.157 1.00 0.00 H new ATOM 1430 N GLN A 92 14.565 -1.195 1.167 1.00 0.00 N ATOM 1431 CA GLN A 92 15.938 -1.242 1.640 1.00 0.00 C ATOM 1432 C GLN A 92 16.432 0.167 1.976 1.00 0.00 C ATOM 1433 O GLN A 92 16.882 0.421 3.092 1.00 0.00 O ATOM 1434 CB GLN A 92 16.850 -1.912 0.610 1.00 0.00 C ATOM 1435 CG GLN A 92 18.324 -1.713 0.971 1.00 0.00 C ATOM 1436 CD GLN A 92 18.702 -2.537 2.203 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.432 -2.169 3.335 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.341 -3.669 1.921 1.00 0.00 N ATOM 0 H GLN A 92 14.417 -1.606 0.245 1.00 0.00 H new ATOM 0 HA GLN A 92 15.969 -1.843 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.625 -2.977 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.655 -1.497 -0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.951 -2.004 0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.516 -0.657 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.535 -3.917 0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.637 -4.289 2.675 1.00 0.00 H new ATOM 1447 N ASP A 93 16.332 1.046 0.989 1.00 0.00 N ATOM 1448 CA ASP A 93 16.764 2.422 1.166 1.00 0.00 C ATOM 1449 C ASP A 93 16.186 2.969 2.473 1.00 0.00 C ATOM 1450 O ASP A 93 16.866 3.686 3.204 1.00 0.00 O ATOM 1451 CB ASP A 93 16.265 3.307 0.022 1.00 0.00 C ATOM 1452 CG ASP A 93 17.324 4.221 -0.598 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.510 4.030 -0.253 1.00 0.00 O ATOM 1454 OD2 ASP A 93 16.924 5.090 -1.401 1.00 0.00 O ATOM 0 H ASP A 93 15.958 0.832 0.064 1.00 0.00 H new ATOM 0 HA ASP A 93 17.854 2.434 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.856 2.667 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.445 3.924 0.391 1.00 0.00 H new ATOM 1459 N GLU A 94 14.936 2.609 2.726 1.00 0.00 N ATOM 1460 CA GLU A 94 14.259 3.055 3.932 1.00 0.00 C ATOM 1461 C GLU A 94 15.059 2.648 5.171 1.00 0.00 C ATOM 1462 O GLU A 94 15.604 3.500 5.871 1.00 0.00 O ATOM 1463 CB GLU A 94 12.833 2.505 3.995 1.00 0.00 C ATOM 1464 CG GLU A 94 11.858 3.568 4.507 1.00 0.00 C ATOM 1465 CD GLU A 94 11.999 3.758 6.019 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.861 3.064 6.600 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.242 4.593 6.559 1.00 0.00 O ATOM 0 H GLU A 94 14.375 2.014 2.117 1.00 0.00 H new ATOM 0 HA GLU A 94 14.193 4.143 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.524 2.170 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.804 1.634 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.046 4.514 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.836 3.275 4.267 1.00 0.00 H new