USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 42 SER OG : rot 180:sc= 0.0529 USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.119 USER MOD Single : A 15 THR OG1 : rot 23:sc= 1.3 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 23 SER OG : rot 180:sc= 0.017 USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.401 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.058 (180deg=-0.299) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.161) USER MOD Single : A 37 SER OG : rot -40:sc= 0.0287 USER MOD Single : A 44 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 51 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : B 15 THR OG1 : rot 42:sc= 1.31 USER MOD Single : B 19 THR OG1 : rot 72:sc= 0.0371 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 86:sc= 1.26 USER MOD Single : B 32 LYS NZ :NH3+ 162:sc= -0.0199 (180deg=-0.185) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot 14:sc= 0.227 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 51 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.339 -0.234 -3.632 1.00 0.00 N ATOM 235 CA THR A 15 12.027 0.037 -3.127 1.00 0.00 C ATOM 236 C THR A 15 11.045 -0.937 -3.782 1.00 0.00 C ATOM 237 O THR A 15 11.378 -1.628 -4.747 1.00 0.00 O ATOM 238 CB THR A 15 11.742 1.516 -3.465 1.00 0.00 C ATOM 239 OG1 THR A 15 10.678 2.085 -2.731 1.00 0.00 O ATOM 240 CG2 THR A 15 11.459 1.734 -4.954 1.00 0.00 C ATOM 0 HA THR A 15 11.930 -0.106 -2.051 1.00 0.00 H new ATOM 0 HB THR A 15 12.664 2.021 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.541 1.576 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.265 2.791 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.323 1.417 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.587 1.149 -5.248 1.00 0.00 H new ATOM 248 N VAL A 16 9.826 -0.957 -3.269 1.00 0.00 N ATOM 249 CA VAL A 16 8.733 -1.781 -3.753 1.00 0.00 C ATOM 250 C VAL A 16 7.834 -0.864 -4.582 1.00 0.00 C ATOM 251 O VAL A 16 7.862 0.356 -4.405 1.00 0.00 O ATOM 252 CB VAL A 16 7.962 -2.373 -2.551 1.00 0.00 C ATOM 253 CG1 VAL A 16 6.957 -3.446 -2.992 1.00 0.00 C ATOM 254 CG2 VAL A 16 8.914 -2.982 -1.520 1.00 0.00 C ATOM 0 H VAL A 16 9.561 -0.377 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 16 9.088 -2.615 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 16 7.420 -1.543 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.436 -3.837 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.234 -3.007 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.487 -4.257 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.338 -3.389 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.492 -3.780 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.591 -2.212 -1.150 1.00 0.00 H new ATOM 264 N VAL A 17 7.045 -1.430 -5.486 1.00 0.00 N ATOM 265 CA VAL A 17 6.103 -0.714 -6.327 1.00 0.00 C ATOM 266 C VAL A 17 4.982 -1.701 -6.624 1.00 0.00 C ATOM 267 O VAL A 17 5.182 -2.685 -7.339 1.00 0.00 O ATOM 268 CB VAL A 17 6.806 -0.102 -7.545 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.307 -1.093 -8.592 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.927 0.959 -8.212 1.00 0.00 C ATOM 0 H VAL A 17 7.046 -2.435 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 17 5.666 0.160 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 17 7.705 0.351 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.786 -0.550 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.027 -1.772 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.466 -1.666 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.450 1.376 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.993 0.503 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.711 1.754 -7.498 1.00 0.00 H new ATOM 280 N ARG A 18 3.817 -1.493 -6.019 1.00 0.00 N ATOM 281 CA ARG A 18 2.688 -2.396 -6.221 1.00 0.00 C ATOM 282 C ARG A 18 1.360 -1.685 -6.029 1.00 0.00 C ATOM 283 O ARG A 18 1.258 -0.773 -5.202 1.00 0.00 O ATOM 284 CB ARG A 18 2.842 -3.532 -5.188 1.00 0.00 C ATOM 285 CG ARG A 18 1.864 -4.704 -5.363 1.00 0.00 C ATOM 286 CD ARG A 18 1.242 -5.095 -4.021 1.00 0.00 C ATOM 287 NE ARG A 18 0.159 -6.066 -4.197 1.00 0.00 N ATOM 288 CZ ARG A 18 0.250 -7.367 -4.484 1.00 0.00 C ATOM 289 NH1 ARG A 18 1.415 -8.004 -4.541 1.00 0.00 N ATOM 290 NH2 ARG A 18 -0.875 -8.025 -4.714 1.00 0.00 N ATOM 0 H ARG A 18 3.630 -0.713 -5.389 1.00 0.00 H new ATOM 0 HA ARG A 18 2.689 -2.779 -7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.860 -3.917 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.711 -3.115 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.079 -4.427 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.387 -5.560 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.009 -5.517 -3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.857 -4.205 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.787 -5.701 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.282 -7.498 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.442 -8.999 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.770 -7.537 -4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.847 -9.020 -4.937 1.00 0.00 H new ATOM 304 N THR A 19 0.344 -2.095 -6.786 1.00 0.00 N ATOM 305 CA THR A 19 -0.995 -1.552 -6.673 1.00 0.00 C ATOM 306 C THR A 19 -1.574 -2.205 -5.424 1.00 0.00 C ATOM 307 O THR A 19 -1.662 -3.437 -5.357 1.00 0.00 O ATOM 308 CB THR A 19 -1.885 -1.870 -7.893 1.00 0.00 C ATOM 309 OG1 THR A 19 -1.321 -2.759 -8.840 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.214 -0.567 -8.617 1.00 0.00 C ATOM 0 H THR A 19 0.435 -2.819 -7.498 1.00 0.00 H new ATOM 0 HA THR A 19 -0.960 -0.464 -6.620 1.00 0.00 H new ATOM 0 HB THR A 19 -2.764 -2.370 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.955 -2.901 -9.573 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.843 -0.780 -9.481 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.744 0.102 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.291 -0.092 -8.948 1.00 0.00 H new ATOM 318 N LEU A 20 -1.934 -1.404 -4.423 1.00 0.00 N ATOM 319 CA LEU A 20 -2.499 -1.887 -3.187 1.00 0.00 C ATOM 320 C LEU A 20 -3.848 -1.219 -2.953 1.00 0.00 C ATOM 321 O LEU A 20 -3.920 0.009 -2.844 1.00 0.00 O ATOM 322 CB LEU A 20 -1.481 -1.647 -2.064 1.00 0.00 C ATOM 323 CG LEU A 20 -1.731 -2.550 -0.854 1.00 0.00 C ATOM 324 CD1 LEU A 20 -1.412 -4.010 -1.181 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.797 -2.139 0.278 1.00 0.00 C ATOM 0 H LEU A 20 -1.836 -0.389 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.694 -2.959 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.475 -1.823 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.526 -0.604 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.780 -2.449 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.599 -4.629 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.045 -4.345 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.365 -4.098 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.970 -2.779 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.238 -2.243 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.990 -1.101 0.550 1.00 0.00 H new ATOM 337 N ARG A 21 -4.924 -2.002 -3.004 1.00 0.00 N ATOM 338 CA ARG A 21 -6.297 -1.568 -2.807 1.00 0.00 C ATOM 339 C ARG A 21 -6.769 -1.846 -1.385 1.00 0.00 C ATOM 340 O ARG A 21 -6.187 -2.673 -0.679 1.00 0.00 O ATOM 341 CB ARG A 21 -7.210 -2.307 -3.803 1.00 0.00 C ATOM 342 CG ARG A 21 -6.774 -2.087 -5.258 1.00 0.00 C ATOM 343 CD ARG A 21 -7.955 -1.847 -6.192 1.00 0.00 C ATOM 344 NE ARG A 21 -8.692 -3.070 -6.550 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.271 -3.262 -7.741 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.422 -2.261 -8.599 1.00 0.00 N ATOM 347 NH2 ARG A 21 -9.704 -4.464 -8.096 1.00 0.00 N ATOM 0 H ARG A 21 -4.854 -3.002 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.344 -0.492 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.201 -3.374 -3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.237 -1.963 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.098 -1.233 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.214 -2.957 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.643 -1.146 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.593 -1.373 -7.104 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.765 -3.811 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.094 -1.326 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.866 -2.426 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.597 -5.253 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.144 -4.599 -9.006 1.00 0.00 H new ATOM 361 N PHE A 22 -7.850 -1.170 -0.999 1.00 0.00 N ATOM 362 CA PHE A 22 -8.501 -1.270 0.307 1.00 0.00 C ATOM 363 C PHE A 22 -10.006 -1.127 0.069 1.00 0.00 C ATOM 364 O PHE A 22 -10.383 -0.504 -0.925 1.00 0.00 O ATOM 365 CB PHE A 22 -7.978 -0.150 1.225 1.00 0.00 C ATOM 366 CG PHE A 22 -6.479 -0.170 1.478 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.586 0.401 0.546 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.970 -0.769 2.644 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.198 0.334 0.752 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.584 -0.799 2.869 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.696 -0.268 1.920 1.00 0.00 C ATOM 0 H PHE A 22 -8.318 -0.507 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.288 -2.223 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.244 0.812 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.493 -0.217 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.973 0.894 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.644 -1.206 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.520 0.743 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.198 -1.234 3.779 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.630 -0.322 2.086 1.00 0.00 H new ATOM 381 N SER A 23 -10.869 -1.723 0.896 1.00 0.00 N ATOM 382 CA SER A 23 -12.331 -1.625 0.748 1.00 0.00 C ATOM 383 C SER A 23 -12.790 -0.221 1.222 1.00 0.00 C ATOM 384 O SER A 23 -11.957 0.509 1.755 1.00 0.00 O ATOM 385 CB SER A 23 -13.011 -2.786 1.505 1.00 0.00 C ATOM 386 OG SER A 23 -12.159 -3.917 1.651 1.00 0.00 O ATOM 0 H SER A 23 -10.576 -2.290 1.692 1.00 0.00 H new ATOM 0 HA SER A 23 -12.629 -1.726 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.321 -2.440 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.915 -3.083 0.972 1.00 0.00 H new ATOM 0 HG SER A 23 -12.633 -4.623 2.137 1.00 0.00 H new ATOM 392 N PRO A 24 -14.072 0.189 1.117 1.00 0.00 N ATOM 393 CA PRO A 24 -14.492 1.528 1.541 1.00 0.00 C ATOM 394 C PRO A 24 -14.383 1.739 3.044 1.00 0.00 C ATOM 395 O PRO A 24 -13.920 2.785 3.480 1.00 0.00 O ATOM 396 CB PRO A 24 -15.944 1.702 1.094 1.00 0.00 C ATOM 397 CG PRO A 24 -16.435 0.264 1.003 1.00 0.00 C ATOM 398 CD PRO A 24 -15.202 -0.516 0.540 1.00 0.00 C ATOM 0 HA PRO A 24 -13.831 2.267 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.523 2.284 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.015 2.216 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.798 -0.096 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.258 0.167 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.238 -1.550 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.137 -0.542 -0.548 1.00 0.00 H new ATOM 406 N VAL A 25 -14.807 0.752 3.832 1.00 0.00 N ATOM 407 CA VAL A 25 -14.757 0.824 5.284 1.00 0.00 C ATOM 408 C VAL A 25 -13.293 0.895 5.719 1.00 0.00 C ATOM 409 O VAL A 25 -12.939 1.680 6.595 1.00 0.00 O ATOM 410 CB VAL A 25 -15.521 -0.384 5.860 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.441 -0.447 7.387 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.006 -0.333 5.455 1.00 0.00 C ATOM 0 H VAL A 25 -15.195 -0.121 3.476 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.243 1.720 5.671 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.044 -1.273 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.995 -1.315 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.398 -0.530 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.873 0.459 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.527 -1.195 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.456 0.583 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.088 -0.351 4.368 1.00 0.00 H new ATOM 422 N GLU A 26 -12.439 0.098 5.075 1.00 0.00 N ATOM 423 CA GLU A 26 -11.017 0.043 5.362 1.00 0.00 C ATOM 424 C GLU A 26 -10.386 1.402 5.052 1.00 0.00 C ATOM 425 O GLU A 26 -9.639 1.944 5.857 1.00 0.00 O ATOM 426 CB GLU A 26 -10.335 -1.056 4.541 1.00 0.00 C ATOM 427 CG GLU A 26 -11.068 -2.398 4.514 1.00 0.00 C ATOM 428 CD GLU A 26 -11.267 -3.091 5.859 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.120 -2.655 6.662 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.677 -4.178 6.052 1.00 0.00 O ATOM 0 H GLU A 26 -12.727 -0.535 4.329 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.880 -0.192 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.219 -0.703 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.333 -1.215 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.047 -2.243 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.518 -3.074 3.860 1.00 0.00 H new ATOM 437 N ASP A 27 -10.706 1.942 3.876 1.00 0.00 N ATOM 438 CA ASP A 27 -10.229 3.218 3.367 1.00 0.00 C ATOM 439 C ASP A 27 -10.611 4.361 4.272 1.00 0.00 C ATOM 440 O ASP A 27 -9.755 5.176 4.593 1.00 0.00 O ATOM 441 CB ASP A 27 -10.866 3.488 2.002 1.00 0.00 C ATOM 442 CG ASP A 27 -10.753 4.957 1.577 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.662 5.394 1.151 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.784 5.668 1.614 1.00 0.00 O ATOM 0 H ASP A 27 -11.336 1.475 3.224 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.143 3.156 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.387 2.859 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.918 3.203 2.033 1.00 0.00 H new ATOM 449 N GLU A 28 -11.885 4.434 4.645 1.00 0.00 N ATOM 450 CA GLU A 28 -12.400 5.478 5.504 1.00 0.00 C ATOM 451 C GLU A 28 -11.694 5.375 6.851 1.00 0.00 C ATOM 452 O GLU A 28 -11.236 6.393 7.356 1.00 0.00 O ATOM 453 CB GLU A 28 -13.928 5.378 5.585 1.00 0.00 C ATOM 454 CG GLU A 28 -14.566 5.817 4.254 1.00 0.00 C ATOM 455 CD GLU A 28 -16.081 5.616 4.208 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.781 6.178 5.081 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.613 4.935 3.292 1.00 0.00 O ATOM 0 H GLU A 28 -12.591 3.759 4.352 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.194 6.471 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.220 4.353 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.297 6.005 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.342 6.870 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.108 5.257 3.439 1.00 0.00 H new ATOM 464 N THR A 29 -11.540 4.169 7.407 1.00 0.00 N ATOM 465 CA THR A 29 -10.857 3.985 8.677 1.00 0.00 C ATOM 466 C THR A 29 -9.412 4.470 8.532 1.00 0.00 C ATOM 467 O THR A 29 -8.990 5.329 9.302 1.00 0.00 O ATOM 468 CB THR A 29 -10.982 2.512 9.122 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.341 2.254 9.436 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.156 2.167 10.366 1.00 0.00 C ATOM 0 H THR A 29 -11.884 3.305 6.989 1.00 0.00 H new ATOM 0 HA THR A 29 -11.314 4.579 9.468 1.00 0.00 H new ATOM 0 HB THR A 29 -10.607 1.906 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.830 2.035 8.616 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.296 1.115 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.101 2.355 10.166 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.482 2.785 11.202 1.00 0.00 H new ATOM 478 N ILE A 30 -8.662 3.984 7.541 1.00 0.00 N ATOM 479 CA ILE A 30 -7.274 4.377 7.324 1.00 0.00 C ATOM 480 C ILE A 30 -7.179 5.891 7.118 1.00 0.00 C ATOM 481 O ILE A 30 -6.294 6.523 7.677 1.00 0.00 O ATOM 482 CB ILE A 30 -6.653 3.547 6.178 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.449 2.096 6.667 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.296 4.128 5.737 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.276 1.067 5.547 1.00 0.00 C ATOM 0 H ILE A 30 -9.005 3.303 6.864 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.680 4.155 8.210 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.329 3.575 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.571 2.063 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.304 1.808 7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.886 3.521 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.435 5.151 5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.606 4.123 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.139 0.077 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.163 1.066 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.403 1.325 4.948 1.00 0.00 H new ATOM 497 N ARG A 31 -8.071 6.491 6.331 1.00 0.00 N ATOM 498 CA ARG A 31 -8.075 7.925 6.067 1.00 0.00 C ATOM 499 C ARG A 31 -8.325 8.694 7.358 1.00 0.00 C ATOM 500 O ARG A 31 -7.625 9.669 7.615 1.00 0.00 O ATOM 501 CB ARG A 31 -9.126 8.242 4.990 1.00 0.00 C ATOM 502 CG ARG A 31 -9.199 9.735 4.640 1.00 0.00 C ATOM 503 CD ARG A 31 -10.416 10.010 3.754 1.00 0.00 C ATOM 504 NE ARG A 31 -10.853 11.412 3.873 1.00 0.00 N ATOM 505 CZ ARG A 31 -12.122 11.836 3.820 1.00 0.00 C ATOM 506 NH1 ARG A 31 -13.074 11.011 3.398 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.434 13.066 4.211 1.00 0.00 N ATOM 0 H ARG A 31 -8.819 5.987 5.854 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.102 8.239 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.896 7.674 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.104 7.908 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.263 10.327 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.288 10.040 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.171 9.789 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.233 9.346 4.037 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.129 12.118 4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.837 10.060 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.042 11.329 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.706 13.692 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.402 13.384 4.169 1.00 0.00 H new ATOM 521 N LYS A 32 -9.327 8.310 8.152 1.00 0.00 N ATOM 522 CA LYS A 32 -9.638 8.994 9.404 1.00 0.00 C ATOM 523 C LYS A 32 -8.472 8.854 10.371 1.00 0.00 C ATOM 524 O LYS A 32 -8.083 9.847 10.973 1.00 0.00 O ATOM 525 CB LYS A 32 -10.957 8.482 10.021 1.00 0.00 C ATOM 526 CG LYS A 32 -12.193 9.283 9.565 1.00 0.00 C ATOM 527 CD LYS A 32 -12.576 9.093 8.086 1.00 0.00 C ATOM 528 CE LYS A 32 -13.646 10.071 7.583 1.00 0.00 C ATOM 529 NZ LYS A 32 -13.261 11.487 7.773 1.00 0.00 N ATOM 0 H LYS A 32 -9.940 7.522 7.945 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.786 10.053 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.093 7.434 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.884 8.527 11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.043 8.997 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.009 10.342 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.681 9.204 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.935 8.074 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.831 9.888 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.582 9.880 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.881 12.095 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.357 11.741 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.274 11.621 7.475 1.00 0.00 H new ATOM 543 N LYS A 33 -7.912 7.654 10.536 1.00 0.00 N ATOM 544 CA LYS A 33 -6.798 7.439 11.451 1.00 0.00 C ATOM 545 C LYS A 33 -5.567 8.211 10.976 1.00 0.00 C ATOM 546 O LYS A 33 -4.935 8.859 11.807 1.00 0.00 O ATOM 547 CB LYS A 33 -6.515 5.941 11.637 1.00 0.00 C ATOM 548 CG LYS A 33 -7.322 5.251 12.755 1.00 0.00 C ATOM 549 CD LYS A 33 -8.853 5.321 12.646 1.00 0.00 C ATOM 550 CE LYS A 33 -9.482 4.391 13.689 1.00 0.00 C ATOM 551 NZ LYS A 33 -10.956 4.333 13.594 1.00 0.00 N ATOM 0 H LYS A 33 -8.216 6.814 10.043 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.069 7.827 12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.719 5.430 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.453 5.812 11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.031 4.201 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.028 5.692 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.193 6.345 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.171 5.030 11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.075 3.387 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.200 4.729 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.306 3.507 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.364 5.200 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.237 4.251 12.596 1.00 0.00 H new ATOM 565 N ALA A 34 -5.241 8.171 9.682 1.00 0.00 N ATOM 566 CA ALA A 34 -4.109 8.874 9.090 1.00 0.00 C ATOM 567 C ALA A 34 -4.231 10.367 9.370 1.00 0.00 C ATOM 568 O ALA A 34 -3.332 10.967 9.959 1.00 0.00 O ATOM 569 CB ALA A 34 -4.042 8.608 7.583 1.00 0.00 C ATOM 0 H ALA A 34 -5.775 7.632 9.001 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.186 8.506 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.191 9.140 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.926 7.539 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.961 8.956 7.111 1.00 0.00 H new ATOM 575 N GLU A 35 -5.361 10.945 8.964 1.00 0.00 N ATOM 576 CA GLU A 35 -5.637 12.360 9.112 1.00 0.00 C ATOM 577 C GLU A 35 -5.634 12.797 10.576 1.00 0.00 C ATOM 578 O GLU A 35 -5.083 13.852 10.895 1.00 0.00 O ATOM 579 CB GLU A 35 -6.951 12.672 8.390 1.00 0.00 C ATOM 580 CG GLU A 35 -7.117 14.177 8.205 1.00 0.00 C ATOM 581 CD GLU A 35 -8.280 14.483 7.271 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.457 14.271 7.653 1.00 0.00 O ATOM 583 OE2 GLU A 35 -8.031 14.884 6.112 1.00 0.00 O ATOM 0 H GLU A 35 -6.118 10.428 8.517 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.840 12.943 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.965 12.177 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.790 12.276 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.287 14.650 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.198 14.602 7.800 1.00 0.00 H new ATOM 590 N ASP A 36 -6.204 11.989 11.473 1.00 0.00 N ATOM 591 CA ASP A 36 -6.269 12.264 12.906 1.00 0.00 C ATOM 592 C ASP A 36 -4.870 12.192 13.520 1.00 0.00 C ATOM 593 O ASP A 36 -4.585 12.894 14.491 1.00 0.00 O ATOM 594 CB ASP A 36 -7.208 11.261 13.574 1.00 0.00 C ATOM 595 CG ASP A 36 -7.234 11.418 15.089 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.766 12.441 15.587 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.768 10.476 15.768 1.00 0.00 O ATOM 0 H ASP A 36 -6.643 11.105 11.215 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.657 13.270 13.067 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.216 11.391 13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.895 10.248 13.321 1.00 0.00 H new ATOM 602 N SER A 37 -3.995 11.356 12.953 1.00 0.00 N ATOM 603 CA SER A 37 -2.613 11.190 13.382 1.00 0.00 C ATOM 604 C SER A 37 -1.749 12.308 12.767 1.00 0.00 C ATOM 605 O SER A 37 -0.581 12.459 13.123 1.00 0.00 O ATOM 606 CB SER A 37 -2.110 9.798 12.957 1.00 0.00 C ATOM 607 OG SER A 37 -0.884 9.445 13.564 1.00 0.00 O ATOM 0 H SER A 37 -4.241 10.762 12.161 1.00 0.00 H new ATOM 0 HA SER A 37 -2.544 11.262 14.467 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.863 9.052 13.212 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.992 9.775 11.874 1.00 0.00 H new ATOM 0 HG SER A 37 -0.292 10.226 13.585 1.00 0.00 H new ATOM 613 N GLY A 38 -2.303 13.141 11.877 1.00 0.00 N ATOM 614 CA GLY A 38 -1.562 14.215 11.233 1.00 0.00 C ATOM 615 C GLY A 38 -0.534 13.633 10.266 1.00 0.00 C ATOM 616 O GLY A 38 0.529 14.221 10.055 1.00 0.00 O ATOM 0 H GLY A 38 -3.279 13.083 11.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.248 14.870 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.062 14.825 11.985 1.00 0.00 H new ATOM 620 N LEU A 39 -0.811 12.458 9.694 1.00 0.00 N ATOM 621 CA LEU A 39 0.035 11.752 8.756 1.00 0.00 C ATOM 622 C LEU A 39 -0.758 11.527 7.481 1.00 0.00 C ATOM 623 O LEU A 39 -1.990 11.583 7.443 1.00 0.00 O ATOM 624 CB LEU A 39 0.444 10.375 9.325 1.00 0.00 C ATOM 625 CG LEU A 39 1.406 10.387 10.528 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.675 8.943 10.965 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.748 11.053 10.196 1.00 0.00 C ATOM 0 H LEU A 39 -1.678 11.957 9.889 1.00 0.00 H new ATOM 0 HA LEU A 39 0.933 12.340 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.462 9.844 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.907 9.798 8.524 1.00 0.00 H new ATOM 0 HG LEU A 39 0.931 10.963 11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.355 8.941 11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.736 8.468 11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.125 8.391 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.390 11.036 11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.232 10.511 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.576 12.086 9.892 1.00 0.00 H new ATOM 639 N THR A 40 -0.038 11.302 6.398 1.00 0.00 N ATOM 640 CA THR A 40 -0.639 11.011 5.116 1.00 0.00 C ATOM 641 C THR A 40 -0.888 9.505 5.157 1.00 0.00 C ATOM 642 O THR A 40 -0.098 8.759 5.738 1.00 0.00 O ATOM 643 CB THR A 40 0.300 11.446 3.972 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.056 10.872 2.731 1.00 0.00 O ATOM 645 CG2 THR A 40 1.763 11.052 4.191 1.00 0.00 C ATOM 0 H THR A 40 0.982 11.317 6.386 1.00 0.00 H new ATOM 0 HA THR A 40 -1.567 11.553 4.931 1.00 0.00 H new ATOM 0 HB THR A 40 0.191 12.531 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.566 11.178 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.362 11.391 3.346 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.132 11.516 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.839 9.968 4.277 1.00 0.00 H new ATOM 653 N VAL A 41 -1.949 9.040 4.504 1.00 0.00 N ATOM 654 CA VAL A 41 -2.329 7.638 4.404 1.00 0.00 C ATOM 655 C VAL A 41 -1.106 6.780 4.041 1.00 0.00 C ATOM 656 O VAL A 41 -0.929 5.712 4.621 1.00 0.00 O ATOM 657 CB VAL A 41 -3.492 7.525 3.393 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.772 6.088 2.941 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.774 8.114 4.000 1.00 0.00 C ATOM 0 H VAL A 41 -2.593 9.657 4.010 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.682 7.252 5.360 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.183 8.087 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.600 6.084 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.883 5.677 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.032 5.479 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.589 8.030 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.032 7.566 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.612 9.164 4.244 1.00 0.00 H new ATOM 669 N SER A 42 -0.233 7.225 3.131 1.00 0.00 N ATOM 670 CA SER A 42 0.956 6.468 2.745 1.00 0.00 C ATOM 671 C SER A 42 1.879 6.244 3.967 1.00 0.00 C ATOM 672 O SER A 42 2.288 5.110 4.234 1.00 0.00 O ATOM 673 CB SER A 42 1.667 7.160 1.567 1.00 0.00 C ATOM 674 OG SER A 42 0.905 8.184 0.931 1.00 0.00 O ATOM 0 H SER A 42 -0.332 8.116 2.645 1.00 0.00 H new ATOM 0 HA SER A 42 0.662 5.478 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.601 7.591 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.929 6.406 0.825 1.00 0.00 H new ATOM 0 HG SER A 42 1.427 8.572 0.198 1.00 0.00 H new ATOM 680 N ALA A 43 2.184 7.309 4.722 1.00 0.00 N ATOM 681 CA ALA A 43 3.018 7.281 5.920 1.00 0.00 C ATOM 682 C ALA A 43 2.348 6.449 7.009 1.00 0.00 C ATOM 683 O ALA A 43 3.016 5.682 7.690 1.00 0.00 O ATOM 684 CB ALA A 43 3.283 8.685 6.473 1.00 0.00 C ATOM 0 H ALA A 43 1.842 8.244 4.503 1.00 0.00 H new ATOM 0 HA ALA A 43 3.971 6.837 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.907 8.613 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.794 9.283 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.336 9.159 6.731 1.00 0.00 H new ATOM 690 N TYR A 44 1.037 6.601 7.177 1.00 0.00 N ATOM 691 CA TYR A 44 0.253 5.872 8.158 1.00 0.00 C ATOM 692 C TYR A 44 0.416 4.373 7.879 1.00 0.00 C ATOM 693 O TYR A 44 0.836 3.622 8.754 1.00 0.00 O ATOM 694 CB TYR A 44 -1.194 6.362 8.100 1.00 0.00 C ATOM 695 CG TYR A 44 -2.101 5.593 9.026 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.211 5.948 10.382 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.782 4.470 8.534 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.996 5.170 11.249 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.596 3.711 9.384 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.692 4.045 10.752 1.00 0.00 C ATOM 701 OH TYR A 44 -4.465 3.304 11.587 1.00 0.00 O ATOM 0 H TYR A 44 0.482 7.250 6.620 1.00 0.00 H new ATOM 0 HA TYR A 44 0.595 6.049 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.227 7.420 8.360 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.564 6.274 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.692 6.818 10.757 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.678 4.190 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.068 5.431 12.294 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.150 2.870 8.993 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.596 2.411 11.205 1.00 0.00 H new ATOM 711 N ILE A 45 0.170 3.950 6.630 1.00 0.00 N ATOM 712 CA ILE A 45 0.288 2.561 6.195 1.00 0.00 C ATOM 713 C ILE A 45 1.662 1.992 6.566 1.00 0.00 C ATOM 714 O ILE A 45 1.744 0.984 7.261 1.00 0.00 O ATOM 715 CB ILE A 45 0.022 2.449 4.668 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.462 2.596 4.275 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.584 1.142 4.080 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.360 1.459 4.744 1.00 0.00 C ATOM 0 H ILE A 45 -0.122 4.581 5.884 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.465 1.967 6.713 1.00 0.00 H new ATOM 0 HB ILE A 45 0.553 3.298 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.841 3.533 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.531 2.671 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.376 1.105 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.661 1.104 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.113 0.290 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.384 1.648 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.012 0.520 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.327 1.394 5.832 1.00 0.00 H new ATOM 730 N ARG A 46 2.744 2.595 6.062 1.00 0.00 N ATOM 731 CA ARG A 46 4.095 2.104 6.346 1.00 0.00 C ATOM 732 C ARG A 46 4.405 2.093 7.840 1.00 0.00 C ATOM 733 O ARG A 46 4.971 1.120 8.315 1.00 0.00 O ATOM 734 CB ARG A 46 5.166 2.862 5.533 1.00 0.00 C ATOM 735 CG ARG A 46 5.346 4.311 6.001 1.00 0.00 C ATOM 736 CD ARG A 46 6.239 5.198 5.143 1.00 0.00 C ATOM 737 NE ARG A 46 6.523 6.460 5.844 1.00 0.00 N ATOM 738 CZ ARG A 46 6.927 7.615 5.307 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.151 7.725 4.003 1.00 0.00 N ATOM 740 NH2 ARG A 46 7.097 8.661 6.109 1.00 0.00 N ATOM 0 H ARG A 46 2.711 3.418 5.460 1.00 0.00 H new ATOM 0 HA ARG A 46 4.127 1.065 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.118 2.337 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.888 2.856 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.361 4.775 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.752 4.295 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.171 4.680 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.752 5.404 4.190 1.00 0.00 H new ATOM 0 HE ARG A 46 6.397 6.452 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.015 6.919 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.459 8.615 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.920 8.571 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.405 9.554 5.724 1.00 0.00 H new ATOM 754 N ASN A 47 4.057 3.149 8.572 1.00 0.00 N ATOM 755 CA ASN A 47 4.324 3.254 9.997 1.00 0.00 C ATOM 756 C ASN A 47 3.644 2.121 10.761 1.00 0.00 C ATOM 757 O ASN A 47 4.326 1.404 11.496 1.00 0.00 O ATOM 758 CB ASN A 47 3.908 4.644 10.480 1.00 0.00 C ATOM 759 CG ASN A 47 4.134 4.775 11.970 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.268 4.859 12.438 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.062 4.801 12.722 1.00 0.00 N ATOM 0 H ASN A 47 3.577 3.962 8.185 1.00 0.00 H new ATOM 0 HA ASN A 47 5.391 3.142 10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.480 5.406 9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.857 4.817 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.151 4.894 13.734 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.138 4.729 12.296 1.00 0.00 H new ATOM 768 N ALA A 48 2.340 1.933 10.554 1.00 0.00 N ATOM 769 CA ALA A 48 1.562 0.885 11.203 1.00 0.00 C ATOM 770 C ALA A 48 2.060 -0.513 10.807 1.00 0.00 C ATOM 771 O ALA A 48 1.941 -1.459 11.582 1.00 0.00 O ATOM 772 CB ALA A 48 0.090 1.054 10.807 1.00 0.00 C ATOM 0 H ALA A 48 1.790 2.514 9.921 1.00 0.00 H new ATOM 0 HA ALA A 48 1.676 0.976 12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.507 0.277 11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.264 2.033 11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.007 0.972 9.724 1.00 0.00 H new ATOM 778 N ALA A 49 2.619 -0.653 9.601 1.00 0.00 N ATOM 779 CA ALA A 49 3.128 -1.921 9.093 1.00 0.00 C ATOM 780 C ALA A 49 4.522 -2.282 9.617 1.00 0.00 C ATOM 781 O ALA A 49 4.920 -3.432 9.469 1.00 0.00 O ATOM 782 CB ALA A 49 3.163 -1.881 7.565 1.00 0.00 C ATOM 0 H ALA A 49 2.730 0.122 8.947 1.00 0.00 H new ATOM 0 HA ALA A 49 2.447 -2.692 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.544 -2.829 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.156 -1.715 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.814 -1.071 7.237 1.00 0.00 H new ATOM 788 N LEU A 50 5.281 -1.352 10.200 1.00 0.00 N ATOM 789 CA LEU A 50 6.620 -1.630 10.712 1.00 0.00 C ATOM 790 C LEU A 50 6.633 -1.791 12.225 1.00 0.00 C ATOM 791 O LEU A 50 7.350 -2.653 12.730 1.00 0.00 O ATOM 792 CB LEU A 50 7.543 -0.466 10.342 1.00 0.00 C ATOM 793 CG LEU A 50 7.762 -0.340 8.827 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.238 1.081 8.529 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.741 -1.395 8.318 1.00 0.00 C ATOM 0 H LEU A 50 4.983 -0.385 10.329 1.00 0.00 H new ATOM 0 HA LEU A 50 6.958 -2.566 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.119 0.463 10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.506 -0.601 10.834 1.00 0.00 H new ATOM 0 HG LEU A 50 6.826 -0.521 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.400 1.193 7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.483 1.794 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.171 1.271 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.874 -1.279 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.702 -1.271 8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.347 -2.389 8.529 1.00 0.00 H new ATOM 807 N ASN A 51 5.909 -0.915 12.924 1.00 0.00 N ATOM 808 CA ASN A 51 5.825 -0.925 14.385 1.00 0.00 C ATOM 809 C ASN A 51 4.963 -2.081 14.832 1.00 0.00 C ATOM 810 O ASN A 51 5.440 -2.935 15.602 1.00 0.00 O ATOM 811 CB ASN A 51 5.222 0.378 14.925 1.00 0.00 C ATOM 812 CG ASN A 51 6.160 1.543 14.725 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.068 1.786 15.520 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.014 2.252 13.624 1.00 0.00 N ATOM 0 H ASN A 51 5.361 -0.173 12.489 1.00 0.00 H new ATOM 0 HA ASN A 51 6.837 -1.026 14.776 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.277 0.579 14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.000 0.266 15.986 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.659 3.015 13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.256 2.037 12.976 1.00 0.00 H new ATOM 1055 N THR B 15 -13.488 1.084 -3.520 1.00 0.00 N ATOM 1056 CA THR B 15 -12.164 0.692 -3.124 1.00 0.00 C ATOM 1057 C THR B 15 -11.197 1.874 -3.304 1.00 0.00 C ATOM 1058 O THR B 15 -11.593 3.017 -3.555 1.00 0.00 O ATOM 1059 CB THR B 15 -11.830 -0.591 -3.919 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.744 -1.293 -3.359 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.550 -0.360 -5.411 1.00 0.00 C ATOM 0 HA THR B 15 -12.074 0.445 -2.066 1.00 0.00 H new ATOM 0 HB THR B 15 -12.740 -1.186 -3.845 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.828 -1.302 -2.383 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.325 -1.313 -5.891 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.427 0.085 -5.881 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.699 0.312 -5.522 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.910 1.596 -3.148 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.815 2.537 -3.283 1.00 0.00 C ATOM 1071 C VAL B 16 -7.910 1.955 -4.341 1.00 0.00 C ATOM 1072 O VAL B 16 -7.773 0.735 -4.412 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.057 2.687 -1.953 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.008 3.801 -2.008 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.014 2.995 -0.812 1.00 0.00 C ATOM 0 H VAL B 16 -9.588 0.657 -2.911 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.173 3.530 -3.555 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.557 1.734 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.499 3.869 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.281 3.578 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.497 4.750 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.452 3.096 0.117 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.541 3.926 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.735 2.184 -0.713 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.309 2.797 -5.169 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.406 2.331 -6.194 1.00 0.00 C ATOM 1087 C VAL B 17 -5.266 3.325 -6.359 1.00 0.00 C ATOM 1088 O VAL B 17 -5.385 4.367 -7.007 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.158 1.924 -7.466 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.671 3.104 -8.291 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -6.253 1.013 -8.304 1.00 0.00 C ATOM 0 H VAL B 17 -7.435 3.809 -5.145 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.925 1.400 -5.895 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.056 1.389 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.191 2.732 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.358 3.698 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.830 3.725 -8.600 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.777 0.716 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.342 1.550 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.996 0.125 -7.727 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.156 3.005 -5.709 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.938 3.791 -5.730 1.00 0.00 C ATOM 1103 C ARG B 18 -1.749 2.836 -5.702 1.00 0.00 C ATOM 1104 O ARG B 18 -1.879 1.684 -5.272 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.956 4.710 -4.490 1.00 0.00 C ATOM 1106 CG ARG B 18 -1.818 5.743 -4.398 1.00 0.00 C ATOM 1107 CD ARG B 18 -1.088 5.631 -3.049 1.00 0.00 C ATOM 1108 NE ARG B 18 0.096 6.503 -2.984 1.00 0.00 N ATOM 1109 CZ ARG B 18 0.087 7.834 -2.828 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -1.057 8.498 -2.704 1.00 0.00 N ATOM 1111 NH2 ARG B 18 1.231 8.506 -2.818 1.00 0.00 N ATOM 0 H ARG B 18 -4.080 2.165 -5.136 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.860 4.405 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.906 5.243 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.925 4.084 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.112 5.586 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.223 6.748 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -1.774 5.892 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -0.785 4.597 -2.887 1.00 0.00 H new ATOM 0 HE ARG B 18 1.008 6.053 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.944 7.995 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.048 9.511 -2.586 1.00 0.00 H new ATOM 0 HH21 ARG B 18 2.115 8.010 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG B 18 1.226 9.519 -2.699 1.00 0.00 H new ATOM 1125 N THR B 19 -0.611 3.282 -6.212 1.00 0.00 N ATOM 1126 CA THR B 19 0.627 2.524 -6.219 1.00 0.00 C ATOM 1127 C THR B 19 1.315 2.925 -4.920 1.00 0.00 C ATOM 1128 O THR B 19 1.356 4.125 -4.617 1.00 0.00 O ATOM 1129 CB THR B 19 1.515 2.903 -7.423 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.964 3.950 -8.212 1.00 0.00 O ATOM 1131 CG2 THR B 19 1.755 1.679 -8.298 1.00 0.00 C ATOM 0 H THR B 19 -0.523 4.203 -6.642 1.00 0.00 H new ATOM 0 HA THR B 19 0.446 1.452 -6.299 1.00 0.00 H new ATOM 0 HB THR B 19 2.457 3.269 -7.015 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.028 4.797 -7.723 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.382 1.955 -9.145 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.254 0.906 -7.713 1.00 0.00 H new ATOM 0 HG23 THR B 19 0.800 1.299 -8.662 1.00 0.00 H new ATOM 1139 N LEU B 20 1.855 1.976 -4.159 1.00 0.00 N ATOM 1140 CA LEU B 20 2.536 2.292 -2.912 1.00 0.00 C ATOM 1141 C LEU B 20 4.010 1.912 -3.021 1.00 0.00 C ATOM 1142 O LEU B 20 4.373 1.052 -3.830 1.00 0.00 O ATOM 1143 CB LEU B 20 1.772 1.654 -1.740 1.00 0.00 C ATOM 1144 CG LEU B 20 1.935 2.398 -0.401 1.00 0.00 C ATOM 1145 CD1 LEU B 20 1.560 3.884 -0.481 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.998 1.764 0.626 1.00 0.00 C ATOM 0 H LEU B 20 1.833 0.982 -4.387 1.00 0.00 H new ATOM 0 HA LEU B 20 2.535 3.363 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.712 1.611 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.112 0.626 -1.616 1.00 0.00 H new ATOM 0 HG LEU B 20 2.988 2.321 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.698 4.347 0.496 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.198 4.381 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.517 3.980 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU B 20 1.102 2.280 1.580 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.032 1.847 0.279 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.255 0.712 0.752 1.00 0.00 H new ATOM 1158 N ARG B 21 4.852 2.574 -2.226 1.00 0.00 N ATOM 1159 CA ARG B 21 6.298 2.393 -2.177 1.00 0.00 C ATOM 1160 C ARG B 21 6.745 2.118 -0.749 1.00 0.00 C ATOM 1161 O ARG B 21 6.133 2.630 0.190 1.00 0.00 O ATOM 1162 CB ARG B 21 6.995 3.689 -2.634 1.00 0.00 C ATOM 1163 CG ARG B 21 6.801 4.121 -4.095 1.00 0.00 C ATOM 1164 CD ARG B 21 7.632 3.282 -5.066 1.00 0.00 C ATOM 1165 NE ARG B 21 8.051 4.066 -6.236 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.793 3.615 -7.250 1.00 0.00 C ATOM 1167 NH1 ARG B 21 9.181 2.349 -7.296 1.00 0.00 N ATOM 1168 NH2 ARG B 21 9.143 4.444 -8.218 1.00 0.00 N ATOM 0 H ARG B 21 4.526 3.283 -1.569 1.00 0.00 H new ATOM 0 HA ARG B 21 6.560 1.557 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.649 4.501 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.064 3.577 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.747 4.039 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.075 5.171 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.512 2.895 -4.552 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.050 2.421 -5.394 1.00 0.00 H new ATOM 0 HE ARG B 21 7.749 5.039 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.913 1.706 -6.551 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.748 2.017 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG B 21 8.846 5.419 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG B 21 9.710 4.108 -8.997 1.00 0.00 H new ATOM 1182 N PHE B 22 7.833 1.362 -0.599 1.00 0.00 N ATOM 1183 CA PHE B 22 8.449 1.001 0.677 1.00 0.00 C ATOM 1184 C PHE B 22 9.957 0.930 0.451 1.00 0.00 C ATOM 1185 O PHE B 22 10.360 0.566 -0.655 1.00 0.00 O ATOM 1186 CB PHE B 22 7.904 -0.342 1.193 1.00 0.00 C ATOM 1187 CG PHE B 22 6.417 -0.352 1.507 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.473 -0.592 0.485 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.973 -0.138 2.826 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.097 -0.587 0.773 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.597 -0.150 3.117 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.660 -0.365 2.092 1.00 0.00 C ATOM 0 H PHE B 22 8.330 0.968 -1.398 1.00 0.00 H new ATOM 0 HA PHE B 22 8.214 1.746 1.437 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.108 -1.111 0.448 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.452 -0.618 2.094 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.810 -0.780 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.690 0.036 3.615 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.378 -0.753 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.260 0.006 4.131 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.604 -0.360 2.317 1.00 0.00 H new ATOM 1202 N SER B 23 10.781 1.334 1.419 1.00 0.00 N ATOM 1203 CA SER B 23 12.246 1.298 1.319 1.00 0.00 C ATOM 1204 C SER B 23 12.739 -0.163 1.322 1.00 0.00 C ATOM 1205 O SER B 23 11.950 -1.061 1.609 1.00 0.00 O ATOM 1206 CB SER B 23 12.833 2.145 2.461 1.00 0.00 C ATOM 1207 OG SER B 23 12.957 3.498 2.060 1.00 0.00 O ATOM 0 H SER B 23 10.447 1.702 2.310 1.00 0.00 H new ATOM 0 HA SER B 23 12.589 1.729 0.378 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.191 2.077 3.339 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.809 1.753 2.748 1.00 0.00 H new ATOM 0 HG SER B 23 13.330 4.025 2.797 1.00 0.00 H new ATOM 1213 N PRO B 24 14.031 -0.444 1.054 1.00 0.00 N ATOM 1214 CA PRO B 24 14.519 -1.820 1.013 1.00 0.00 C ATOM 1215 C PRO B 24 14.462 -2.517 2.369 1.00 0.00 C ATOM 1216 O PRO B 24 14.014 -3.654 2.460 1.00 0.00 O ATOM 1217 CB PRO B 24 15.944 -1.755 0.450 1.00 0.00 C ATOM 1218 CG PRO B 24 16.390 -0.325 0.740 1.00 0.00 C ATOM 1219 CD PRO B 24 15.097 0.486 0.714 1.00 0.00 C ATOM 0 HA PRO B 24 13.875 -2.429 0.378 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.597 -2.482 0.932 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.961 -1.970 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.886 -0.252 1.708 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.098 0.031 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.139 1.309 1.428 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.932 0.925 -0.270 1.00 0.00 H new ATOM 1227 N VAL B 25 14.892 -1.829 3.422 1.00 0.00 N ATOM 1228 CA VAL B 25 14.900 -2.347 4.783 1.00 0.00 C ATOM 1229 C VAL B 25 13.452 -2.565 5.255 1.00 0.00 C ATOM 1230 O VAL B 25 13.143 -3.545 5.936 1.00 0.00 O ATOM 1231 CB VAL B 25 15.660 -1.335 5.665 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.886 -1.889 7.077 1.00 0.00 C ATOM 1233 CG2 VAL B 25 17.031 -0.944 5.084 1.00 0.00 C ATOM 0 H VAL B 25 15.251 -0.877 3.350 1.00 0.00 H new ATOM 0 HA VAL B 25 15.403 -3.312 4.845 1.00 0.00 H new ATOM 0 HB VAL B 25 15.027 -0.448 5.698 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.424 -1.153 7.675 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.924 -2.102 7.543 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.471 -2.807 7.018 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.518 -0.230 5.749 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.653 -1.834 4.989 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.894 -0.491 4.102 1.00 0.00 H new ATOM 1243 N GLU B 26 12.555 -1.644 4.887 1.00 0.00 N ATOM 1244 CA GLU B 26 11.143 -1.701 5.237 1.00 0.00 C ATOM 1245 C GLU B 26 10.507 -2.898 4.531 1.00 0.00 C ATOM 1246 O GLU B 26 9.712 -3.603 5.142 1.00 0.00 O ATOM 1247 CB GLU B 26 10.442 -0.395 4.837 1.00 0.00 C ATOM 1248 CG GLU B 26 10.942 0.816 5.643 1.00 0.00 C ATOM 1249 CD GLU B 26 10.405 2.157 5.127 1.00 0.00 C ATOM 1250 OE1 GLU B 26 9.719 2.189 4.075 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.787 3.209 5.687 1.00 0.00 O ATOM 0 H GLU B 26 12.800 -0.827 4.328 1.00 0.00 H new ATOM 0 HA GLU B 26 11.034 -1.820 6.315 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.603 -0.211 3.775 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.367 -0.505 4.982 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.650 0.694 6.686 1.00 0.00 H new ATOM 0 HG3 GLU B 26 12.032 0.835 5.617 1.00 0.00 H new ATOM 1258 N ASP B 27 10.864 -3.143 3.268 1.00 0.00 N ATOM 1259 CA ASP B 27 10.352 -4.257 2.480 1.00 0.00 C ATOM 1260 C ASP B 27 10.766 -5.564 3.123 1.00 0.00 C ATOM 1261 O ASP B 27 9.901 -6.394 3.356 1.00 0.00 O ATOM 1262 CB ASP B 27 10.883 -4.208 1.045 1.00 0.00 C ATOM 1263 CG ASP B 27 10.527 -5.478 0.265 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.327 -5.731 0.021 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.449 -6.223 -0.141 1.00 0.00 O ATOM 0 H ASP B 27 11.529 -2.560 2.759 1.00 0.00 H new ATOM 0 HA ASP B 27 9.265 -4.182 2.449 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.469 -3.339 0.533 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.966 -4.083 1.062 1.00 0.00 H new ATOM 1270 N GLU B 28 12.048 -5.729 3.443 1.00 0.00 N ATOM 1271 CA GLU B 28 12.585 -6.919 4.090 1.00 0.00 C ATOM 1272 C GLU B 28 11.852 -7.159 5.406 1.00 0.00 C ATOM 1273 O GLU B 28 11.492 -8.293 5.717 1.00 0.00 O ATOM 1274 CB GLU B 28 14.081 -6.726 4.353 1.00 0.00 C ATOM 1275 CG GLU B 28 14.928 -6.832 3.076 1.00 0.00 C ATOM 1276 CD GLU B 28 16.373 -6.367 3.273 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.753 -5.945 4.387 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.173 -6.446 2.309 1.00 0.00 O ATOM 0 H GLU B 28 12.757 -5.021 3.254 1.00 0.00 H new ATOM 0 HA GLU B 28 12.444 -7.783 3.440 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.242 -5.750 4.810 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.419 -7.474 5.071 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.929 -7.867 2.733 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.465 -6.236 2.290 1.00 0.00 H new ATOM 1285 N THR B 29 11.621 -6.099 6.182 1.00 0.00 N ATOM 1286 CA THR B 29 10.925 -6.196 7.451 1.00 0.00 C ATOM 1287 C THR B 29 9.493 -6.675 7.215 1.00 0.00 C ATOM 1288 O THR B 29 9.110 -7.738 7.698 1.00 0.00 O ATOM 1289 CB THR B 29 10.987 -4.847 8.193 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.334 -4.439 8.386 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.303 -4.898 9.563 1.00 0.00 C ATOM 0 H THR B 29 11.914 -5.152 5.942 1.00 0.00 H new ATOM 0 HA THR B 29 11.412 -6.931 8.091 1.00 0.00 H new ATOM 0 HB THR B 29 10.457 -4.133 7.563 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.648 -3.959 7.591 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.376 -3.922 10.043 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.253 -5.162 9.436 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.793 -5.646 10.187 1.00 0.00 H new ATOM 1299 N ILE B 30 8.719 -5.917 6.442 1.00 0.00 N ATOM 1300 CA ILE B 30 7.332 -6.216 6.143 1.00 0.00 C ATOM 1301 C ILE B 30 7.174 -7.584 5.482 1.00 0.00 C ATOM 1302 O ILE B 30 6.207 -8.287 5.752 1.00 0.00 O ATOM 1303 CB ILE B 30 6.708 -5.059 5.339 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.608 -3.796 6.220 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.320 -5.473 4.833 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.283 -2.534 5.418 1.00 0.00 C ATOM 0 H ILE B 30 9.052 -5.060 5.999 1.00 0.00 H new ATOM 0 HA ILE B 30 6.773 -6.293 7.076 1.00 0.00 H new ATOM 0 HB ILE B 30 7.342 -4.832 4.482 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.839 -3.947 6.977 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.551 -3.652 6.748 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.880 -4.653 4.265 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.413 -6.350 4.192 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.679 -5.710 5.682 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.226 -1.679 6.092 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.065 -2.361 4.679 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.326 -2.661 4.911 1.00 0.00 H new ATOM 1318 N ARG B 31 8.081 -7.967 4.588 1.00 0.00 N ATOM 1319 CA ARG B 31 8.025 -9.245 3.898 1.00 0.00 C ATOM 1320 C ARG B 31 8.254 -10.360 4.904 1.00 0.00 C ATOM 1321 O ARG B 31 7.503 -11.332 4.885 1.00 0.00 O ATOM 1322 CB ARG B 31 9.051 -9.295 2.754 1.00 0.00 C ATOM 1323 CG ARG B 31 8.917 -10.607 1.974 1.00 0.00 C ATOM 1324 CD ARG B 31 10.082 -10.826 1.011 1.00 0.00 C ATOM 1325 NE ARG B 31 10.151 -12.266 0.706 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.135 -13.086 1.079 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.365 -12.613 1.214 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.866 -14.343 1.386 1.00 0.00 N ATOM 0 H ARG B 31 8.881 -7.392 4.322 1.00 0.00 H new ATOM 0 HA ARG B 31 7.041 -9.375 3.447 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.900 -8.449 2.084 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.060 -9.206 3.157 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.865 -11.441 2.674 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.981 -10.602 1.415 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.936 -10.249 0.098 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.016 -10.485 1.458 1.00 0.00 H new ATOM 0 HE ARG B 31 9.385 -12.668 0.166 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.555 -11.627 1.033 1.00 0.00 H new ATOM 0 HH12 ARG B 31 13.122 -13.234 1.499 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.907 -14.686 1.338 1.00 0.00 H new ATOM 0 HH22 ARG B 31 11.618 -14.970 1.671 1.00 0.00 H new ATOM 1342 N LYS B 32 9.292 -10.245 5.742 1.00 0.00 N ATOM 1343 CA LYS B 32 9.588 -11.270 6.739 1.00 0.00 C ATOM 1344 C LYS B 32 8.407 -11.392 7.680 1.00 0.00 C ATOM 1345 O LYS B 32 7.978 -12.507 7.943 1.00 0.00 O ATOM 1346 CB LYS B 32 10.870 -10.964 7.534 1.00 0.00 C ATOM 1347 CG LYS B 32 12.118 -11.663 6.973 1.00 0.00 C ATOM 1348 CD LYS B 32 12.549 -11.209 5.569 1.00 0.00 C ATOM 1349 CE LYS B 32 13.332 -12.302 4.828 1.00 0.00 C ATOM 1350 NZ LYS B 32 12.507 -13.473 4.455 1.00 0.00 N ATOM 0 H LYS B 32 9.936 -9.454 5.746 1.00 0.00 H new ATOM 0 HA LYS B 32 9.759 -12.211 6.217 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.037 -9.887 7.539 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.727 -11.269 8.571 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.947 -11.498 7.661 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.933 -12.737 6.949 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.667 -10.938 4.989 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.165 -10.313 5.650 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.770 -11.875 3.926 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.158 -12.635 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 12.993 -14.018 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 12.362 -14.076 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.586 -13.149 4.098 1.00 0.00 H new ATOM 1364 N LYS B 33 7.876 -10.273 8.175 1.00 0.00 N ATOM 1365 CA LYS B 33 6.751 -10.295 9.091 1.00 0.00 C ATOM 1366 C LYS B 33 5.527 -10.878 8.418 1.00 0.00 C ATOM 1367 O LYS B 33 4.880 -11.714 9.028 1.00 0.00 O ATOM 1368 CB LYS B 33 6.511 -8.906 9.694 1.00 0.00 C ATOM 1369 CG LYS B 33 7.629 -8.458 10.653 1.00 0.00 C ATOM 1370 CD LYS B 33 7.868 -9.489 11.764 1.00 0.00 C ATOM 1371 CE LYS B 33 8.701 -8.908 12.898 1.00 0.00 C ATOM 1372 NZ LYS B 33 8.582 -9.745 14.105 1.00 0.00 N ATOM 0 H LYS B 33 8.215 -9.337 7.951 1.00 0.00 H new ATOM 0 HA LYS B 33 6.984 -10.953 9.929 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.420 -8.178 8.888 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.562 -8.909 10.230 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.551 -8.307 10.092 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.365 -7.498 11.097 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.910 -9.833 12.155 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.374 -10.361 11.349 1.00 0.00 H new ATOM 0 HE2 LYS B 33 9.746 -8.844 12.594 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.370 -7.893 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.156 -9.335 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.586 -9.785 14.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.920 -10.706 13.896 1.00 0.00 H new ATOM 1386 N ALA B 34 5.218 -10.505 7.178 1.00 0.00 N ATOM 1387 CA ALA B 34 4.073 -11.046 6.458 1.00 0.00 C ATOM 1388 C ALA B 34 4.210 -12.567 6.363 1.00 0.00 C ATOM 1389 O ALA B 34 3.299 -13.309 6.727 1.00 0.00 O ATOM 1390 CB ALA B 34 3.990 -10.398 5.082 1.00 0.00 C ATOM 0 H ALA B 34 5.755 -9.820 6.647 1.00 0.00 H new ATOM 0 HA ALA B 34 3.147 -10.824 6.989 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.134 -10.801 4.541 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.874 -9.320 5.194 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.903 -10.608 4.525 1.00 0.00 H new ATOM 1396 N GLU B 35 5.376 -13.016 5.903 1.00 0.00 N ATOM 1397 CA GLU B 35 5.695 -14.423 5.723 1.00 0.00 C ATOM 1398 C GLU B 35 5.610 -15.198 7.041 1.00 0.00 C ATOM 1399 O GLU B 35 5.021 -16.278 7.084 1.00 0.00 O ATOM 1400 CB GLU B 35 7.066 -14.546 5.034 1.00 0.00 C ATOM 1401 CG GLU B 35 7.286 -15.957 4.487 1.00 0.00 C ATOM 1402 CD GLU B 35 8.532 -16.071 3.600 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.601 -15.406 2.542 1.00 0.00 O ATOM 1404 OE2 GLU B 35 9.419 -16.907 3.901 1.00 0.00 O ATOM 0 H GLU B 35 6.140 -12.394 5.640 1.00 0.00 H new ATOM 0 HA GLU B 35 4.951 -14.884 5.074 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.133 -13.823 4.221 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.856 -14.301 5.744 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.376 -16.653 5.321 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.410 -16.258 3.913 1.00 0.00 H new ATOM 1411 N ASP B 36 6.166 -14.644 8.116 1.00 0.00 N ATOM 1412 CA ASP B 36 6.197 -15.236 9.451 1.00 0.00 C ATOM 1413 C ASP B 36 4.792 -15.270 10.052 1.00 0.00 C ATOM 1414 O ASP B 36 4.397 -16.242 10.690 1.00 0.00 O ATOM 1415 CB ASP B 36 7.177 -14.440 10.326 1.00 0.00 C ATOM 1416 CG ASP B 36 7.486 -15.135 11.646 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.650 -16.371 11.649 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.682 -14.432 12.669 1.00 0.00 O ATOM 0 H ASP B 36 6.626 -13.734 8.079 1.00 0.00 H new ATOM 0 HA ASP B 36 6.543 -16.268 9.395 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.105 -14.285 9.776 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.758 -13.454 10.529 1.00 0.00 H new ATOM 1423 N SER B 37 4.003 -14.226 9.794 1.00 0.00 N ATOM 1424 CA SER B 37 2.625 -14.053 10.236 1.00 0.00 C ATOM 1425 C SER B 37 1.697 -14.985 9.443 1.00 0.00 C ATOM 1426 O SER B 37 0.529 -15.166 9.804 1.00 0.00 O ATOM 1427 CB SER B 37 2.245 -12.576 10.016 1.00 0.00 C ATOM 1428 OG SER B 37 0.961 -12.222 10.478 1.00 0.00 O ATOM 0 H SER B 37 4.331 -13.435 9.239 1.00 0.00 H new ATOM 0 HA SER B 37 2.521 -14.308 11.291 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.982 -11.947 10.516 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.307 -12.354 8.951 1.00 0.00 H new ATOM 0 HG SER B 37 0.801 -11.271 10.302 1.00 0.00 H new ATOM 1434 N GLY B 38 2.195 -15.606 8.369 1.00 0.00 N ATOM 1435 CA GLY B 38 1.430 -16.500 7.527 1.00 0.00 C ATOM 1436 C GLY B 38 0.356 -15.745 6.751 1.00 0.00 C ATOM 1437 O GLY B 38 -0.676 -16.326 6.419 1.00 0.00 O ATOM 0 H GLY B 38 3.162 -15.492 8.064 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.097 -17.007 6.830 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.964 -17.271 8.140 1.00 0.00 H new ATOM 1441 N LEU B 39 0.560 -14.455 6.478 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.358 -13.600 5.760 1.00 0.00 C ATOM 1443 C LEU B 39 0.368 -13.069 4.544 1.00 0.00 C ATOM 1444 O LEU B 39 1.560 -12.764 4.594 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.761 -12.386 6.622 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.649 -12.677 7.842 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -1.889 -11.367 8.607 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.007 -13.268 7.451 1.00 0.00 C ATOM 0 H LEU B 39 1.408 -13.967 6.768 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.249 -14.170 5.497 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.149 -11.898 6.971 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.281 -11.672 5.984 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.129 -13.411 8.458 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.518 -11.563 9.475 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -0.934 -10.958 8.936 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.385 -10.650 7.953 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.595 -13.455 8.350 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.538 -12.565 6.809 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.855 -14.205 6.915 1.00 0.00 H new ATOM 1460 N THR B 40 -0.332 -12.949 3.429 1.00 0.00 N ATOM 1461 CA THR B 40 0.260 -12.389 2.227 1.00 0.00 C ATOM 1462 C THR B 40 0.584 -10.930 2.575 1.00 0.00 C ATOM 1463 O THR B 40 -0.168 -10.285 3.307 1.00 0.00 O ATOM 1464 CB THR B 40 -0.724 -12.516 1.052 1.00 0.00 C ATOM 1465 OG1 THR B 40 -0.298 -11.789 -0.081 1.00 0.00 O ATOM 1466 CG2 THR B 40 -2.139 -12.040 1.403 1.00 0.00 C ATOM 0 H THR B 40 -1.307 -13.231 3.331 1.00 0.00 H new ATOM 0 HA THR B 40 1.164 -12.911 1.913 1.00 0.00 H new ATOM 0 HB THR B 40 -0.746 -13.583 0.828 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.950 -11.898 -0.804 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.787 -12.154 0.534 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.529 -12.636 2.228 1.00 0.00 H new ATOM 0 HG23 THR B 40 -2.108 -10.991 1.697 1.00 0.00 H new ATOM 1474 N VAL B 41 1.663 -10.381 2.024 1.00 0.00 N ATOM 1475 CA VAL B 41 2.098 -9.008 2.240 1.00 0.00 C ATOM 1476 C VAL B 41 0.926 -8.020 2.125 1.00 0.00 C ATOM 1477 O VAL B 41 0.660 -7.220 3.022 1.00 0.00 O ATOM 1478 CB VAL B 41 3.276 -8.698 1.280 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.408 -7.242 0.817 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.608 -9.106 1.915 1.00 0.00 C ATOM 0 H VAL B 41 2.277 -10.898 1.395 1.00 0.00 H new ATOM 0 HA VAL B 41 2.463 -8.887 3.260 1.00 0.00 H new ATOM 0 HB VAL B 41 3.038 -9.284 0.392 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.266 -7.148 0.151 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.503 -6.945 0.287 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.549 -6.596 1.684 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.423 -8.881 1.227 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.753 -8.553 2.843 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.597 -10.175 2.128 1.00 0.00 H new ATOM 1490 N SER B 42 0.160 -8.092 1.041 1.00 0.00 N ATOM 1491 CA SER B 42 -0.957 -7.178 0.855 1.00 0.00 C ATOM 1492 C SER B 42 -1.985 -7.252 2.005 1.00 0.00 C ATOM 1493 O SER B 42 -2.610 -6.234 2.314 1.00 0.00 O ATOM 1494 CB SER B 42 -1.544 -7.355 -0.556 1.00 0.00 C ATOM 1495 OG SER B 42 -1.475 -8.691 -1.035 1.00 0.00 O ATOM 0 H SER B 42 0.291 -8.766 0.287 1.00 0.00 H new ATOM 0 HA SER B 42 -0.594 -6.152 0.913 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.585 -7.033 -0.551 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.011 -6.702 -1.247 1.00 0.00 H new ATOM 0 HG SER B 42 -1.865 -8.737 -1.933 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.163 -8.425 2.629 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.059 -8.636 3.758 1.00 0.00 C ATOM 1503 C ALA B 43 -2.391 -8.114 5.029 1.00 0.00 C ATOM 1504 O ALA B 43 -3.071 -7.515 5.852 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.429 -10.109 3.959 1.00 0.00 C ATOM 0 H ALA B 43 -1.670 -9.273 2.349 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.981 -8.096 3.544 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.098 -10.203 4.814 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.928 -10.484 3.065 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.525 -10.690 4.141 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.085 -8.340 5.216 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.339 -7.883 6.378 1.00 0.00 C ATOM 1513 C TYR B 44 -0.478 -6.363 6.474 1.00 0.00 C ATOM 1514 O TYR B 44 -0.949 -5.857 7.490 1.00 0.00 O ATOM 1515 CB TYR B 44 1.075 -8.443 6.323 1.00 0.00 C ATOM 1516 CG TYR B 44 1.982 -7.902 7.404 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.601 -6.650 7.242 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.197 -8.638 8.585 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.468 -6.154 8.223 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.025 -8.124 9.596 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.669 -6.881 9.414 1.00 0.00 C ATOM 1522 OH TYR B 44 4.495 -6.384 10.365 1.00 0.00 O ATOM 0 H TYR B 44 -0.513 -8.856 4.547 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.736 -8.263 7.319 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.030 -9.529 6.407 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.509 -8.217 5.349 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.406 -6.067 6.354 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.724 -9.600 8.714 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.982 -5.217 8.068 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.169 -8.679 10.511 1.00 0.00 H new ATOM 0 HH TYR B 44 4.684 -5.442 10.174 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.193 -5.639 5.386 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.295 -4.182 5.341 1.00 0.00 C ATOM 1534 C ILE B 45 -1.684 -3.698 5.773 1.00 0.00 C ATOM 1535 O ILE B 45 -1.802 -2.907 6.705 1.00 0.00 O ATOM 1536 CB ILE B 45 0.019 -3.672 3.914 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.486 -3.863 3.488 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.382 -2.193 3.749 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.493 -3.031 4.281 1.00 0.00 C ATOM 0 H ILE B 45 0.117 -6.054 4.507 1.00 0.00 H new ATOM 0 HA ILE B 45 0.434 -3.777 6.043 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.583 -4.294 3.252 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.746 -4.917 3.589 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.579 -3.612 2.431 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.149 -1.864 2.736 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.451 -2.084 3.929 1.00 0.00 H new ATOM 0 HG23 ILE B 45 0.171 -1.584 4.465 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.499 -3.230 3.913 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.265 -1.972 4.161 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.434 -3.297 5.336 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.733 -4.109 5.047 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.101 -3.688 5.343 1.00 0.00 C ATOM 1553 C ARG B 46 -4.487 -4.034 6.776 1.00 0.00 C ATOM 1554 O ARG B 46 -5.070 -3.199 7.455 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.094 -4.211 4.274 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.335 -5.726 4.357 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.183 -6.350 3.239 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.759 -7.643 3.674 1.00 0.00 N ATOM 1559 CZ ARG B 46 -6.714 -8.838 3.063 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -6.058 -9.027 1.923 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.340 -9.872 3.606 1.00 0.00 N ATOM 0 H ARG B 46 -2.654 -4.736 4.247 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.155 -2.601 5.282 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.046 -3.692 4.388 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.713 -3.965 3.283 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.366 -6.225 4.368 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.816 -5.943 5.311 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.984 -5.666 2.959 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.568 -6.501 2.352 1.00 0.00 H new ATOM 0 HE ARG B 46 -7.260 -7.623 4.562 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -5.566 -8.249 1.483 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -6.046 -9.950 1.488 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.851 -9.757 4.481 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -7.311 -10.783 3.149 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.141 -5.231 7.239 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.454 -5.702 8.570 1.00 0.00 C ATOM 1577 C ASN B 47 -3.840 -4.819 9.644 1.00 0.00 C ATOM 1578 O ASN B 47 -4.580 -4.316 10.488 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.976 -7.145 8.713 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.239 -7.664 10.110 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.392 -7.783 10.509 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.201 -7.954 10.871 1.00 0.00 N ATOM 0 H ASN B 47 -3.624 -5.911 6.681 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.534 -5.657 8.709 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.486 -7.775 7.984 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.910 -7.203 8.494 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.345 -8.289 11.824 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.255 -7.843 10.507 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.520 -4.632 9.598 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.776 -3.831 10.563 1.00 0.00 C ATOM 1591 C ALA B 48 -2.238 -2.373 10.596 1.00 0.00 C ATOM 1592 O ALA B 48 -2.222 -1.734 11.644 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.287 -3.898 10.197 1.00 0.00 C ATOM 0 H ALA B 48 -1.930 -5.042 8.874 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.955 -4.239 11.558 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.289 -3.305 10.907 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.050 -4.934 10.232 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.141 -3.503 9.192 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.656 -1.845 9.446 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.103 -0.465 9.319 1.00 0.00 C ATOM 1601 C ALA B 49 -4.482 -0.201 9.921 1.00 0.00 C ATOM 1602 O ALA B 49 -4.794 0.941 10.255 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.127 -0.096 7.838 1.00 0.00 C ATOM 0 H ALA B 49 -2.693 -2.370 8.572 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.399 0.149 9.882 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.460 0.936 7.725 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.126 -0.202 7.420 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.812 -0.758 7.309 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.325 -1.223 10.034 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.672 -1.076 10.567 1.00 0.00 C ATOM 1611 C LEU B 50 -6.797 -1.505 12.014 1.00 0.00 C ATOM 1612 O LEU B 50 -7.520 -0.875 12.782 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.603 -1.986 9.760 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.711 -1.573 8.292 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.183 -2.765 7.474 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.683 -0.414 8.120 1.00 0.00 C ATOM 0 H LEU B 50 -5.092 -2.177 9.758 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.926 -0.018 10.499 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.240 -3.012 9.818 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.596 -1.973 10.210 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.730 -1.246 7.947 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.263 -2.478 6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.467 -3.581 7.574 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.158 -3.091 7.836 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.741 -0.141 7.066 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.671 -0.712 8.472 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.335 0.442 8.698 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.174 -2.632 12.336 1.00 0.00 N ATOM 1629 CA ASN B 51 -6.200 -3.254 13.639 1.00 0.00 C ATOM 1630 C ASN B 51 -4.979 -2.802 14.383 1.00 0.00 C ATOM 1631 O ASN B 51 -5.052 -1.781 15.099 1.00 0.00 O ATOM 1632 CB ASN B 51 -6.243 -4.782 13.470 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.380 -5.250 12.577 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.505 -5.484 13.006 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.126 -5.379 11.289 1.00 0.00 N ATOM 0 H ASN B 51 -5.615 -3.154 11.661 1.00 0.00 H new ATOM 0 HA ASN B 51 -7.085 -2.966 14.207 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -5.296 -5.122 13.051 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -6.343 -5.248 14.450 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.865 -5.673 10.650 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.191 -5.185 10.932 1.00 0.00 H new