USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 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: A 47 ASN : amide:sc= 0.634 K(o=1.3,f=-0.14) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.708 K(o=1.3,f=0) 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= 0.0724 USER MOD Single : A 15 THR OG1 : rot 9:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00538 USER MOD Single : B 15 THR OG1 : rot 24:sc= 1.24 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 72:sc= 1.18 USER MOD Single : B 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00883) 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 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.496 USER MOD Single : B 44 TYR OH : rot -163:sc= 1.25 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 ASN : amide:sc= 1 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.651 0.280 -4.256 1.00 0.00 N ATOM 235 CA THR A 15 12.307 0.473 -3.760 1.00 0.00 C ATOM 236 C THR A 15 11.432 -0.665 -4.291 1.00 0.00 C ATOM 237 O THR A 15 11.905 -1.593 -4.943 1.00 0.00 O ATOM 238 CB THR A 15 11.844 1.890 -4.190 1.00 0.00 C ATOM 239 OG1 THR A 15 10.785 2.416 -3.419 1.00 0.00 O ATOM 240 CG2 THR A 15 11.448 2.008 -5.671 1.00 0.00 C ATOM 0 HA THR A 15 12.240 0.432 -2.673 1.00 0.00 H new ATOM 0 HB THR A 15 12.744 2.479 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.618 1.831 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.138 3.031 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.302 1.750 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.623 1.327 -5.883 1.00 0.00 H new ATOM 248 N VAL A 16 10.138 -0.571 -4.028 1.00 0.00 N ATOM 249 CA VAL A 16 9.138 -1.524 -4.455 1.00 0.00 C ATOM 250 C VAL A 16 8.015 -0.701 -5.042 1.00 0.00 C ATOM 251 O VAL A 16 7.766 0.415 -4.578 1.00 0.00 O ATOM 252 CB VAL A 16 8.600 -2.316 -3.251 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.804 -3.552 -3.695 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.710 -2.761 -2.313 1.00 0.00 C ATOM 0 H VAL A 16 9.746 0.202 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 16 9.553 -2.236 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 16 7.940 -1.632 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.440 -4.085 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.957 -3.239 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.449 -4.210 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.281 -3.316 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.408 -3.400 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.238 -1.886 -1.933 1.00 0.00 H new ATOM 264 N VAL A 17 7.319 -1.249 -6.026 1.00 0.00 N ATOM 265 CA VAL A 17 6.198 -0.599 -6.650 1.00 0.00 C ATOM 266 C VAL A 17 5.154 -1.683 -6.858 1.00 0.00 C ATOM 267 O VAL A 17 5.371 -2.654 -7.586 1.00 0.00 O ATOM 268 CB VAL A 17 6.633 0.184 -7.894 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.199 -0.671 -9.026 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.422 0.992 -8.362 1.00 0.00 C ATOM 0 H VAL A 17 7.527 -2.170 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 17 5.749 0.182 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 17 7.468 0.826 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.479 -0.029 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.078 -1.209 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.445 -1.386 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.689 1.567 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.603 0.314 -8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.110 1.672 -7.569 1.00 0.00 H new ATOM 280 N ARG A 18 4.041 -1.569 -6.140 1.00 0.00 N ATOM 281 CA ARG A 18 2.949 -2.541 -6.227 1.00 0.00 C ATOM 282 C ARG A 18 1.634 -1.764 -6.162 1.00 0.00 C ATOM 283 O ARG A 18 1.666 -0.535 -6.031 1.00 0.00 O ATOM 284 CB ARG A 18 3.200 -3.572 -5.107 1.00 0.00 C ATOM 285 CG ARG A 18 2.334 -4.839 -5.045 1.00 0.00 C ATOM 286 CD ARG A 18 2.646 -5.531 -3.710 1.00 0.00 C ATOM 287 NE ARG A 18 1.699 -6.610 -3.393 1.00 0.00 N ATOM 288 CZ ARG A 18 2.009 -7.884 -3.127 1.00 0.00 C ATOM 289 NH1 ARG A 18 3.256 -8.324 -3.261 1.00 0.00 N ATOM 290 NH2 ARG A 18 1.064 -8.711 -2.698 1.00 0.00 N ATOM 0 H ARG A 18 3.868 -0.807 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 18 2.895 -3.107 -7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.240 -3.889 -5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.091 -3.054 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.276 -4.586 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.556 -5.500 -5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.656 -5.939 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.628 -4.791 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 18 0.709 -6.363 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.991 -7.688 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.478 -9.298 -3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.109 -8.374 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.292 -9.684 -2.493 1.00 0.00 H new ATOM 304 N THR A 19 0.484 -2.424 -6.246 1.00 0.00 N ATOM 305 CA THR A 19 -0.827 -1.790 -6.191 1.00 0.00 C ATOM 306 C THR A 19 -1.529 -2.327 -4.942 1.00 0.00 C ATOM 307 O THR A 19 -1.894 -3.507 -4.877 1.00 0.00 O ATOM 308 CB THR A 19 -1.580 -2.074 -7.496 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.749 -1.900 -8.627 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.791 -1.164 -7.640 1.00 0.00 C ATOM 0 H THR A 19 0.437 -3.437 -6.357 1.00 0.00 H new ATOM 0 HA THR A 19 -0.771 -0.704 -6.110 1.00 0.00 H new ATOM 0 HB THR A 19 -1.904 -3.113 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.260 -2.091 -9.441 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.305 -1.388 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.470 -1.327 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.466 -0.124 -7.645 1.00 0.00 H new ATOM 318 N LEU A 20 -1.670 -1.491 -3.911 1.00 0.00 N ATOM 319 CA LEU A 20 -2.297 -1.868 -2.649 1.00 0.00 C ATOM 320 C LEU A 20 -3.757 -1.427 -2.685 1.00 0.00 C ATOM 321 O LEU A 20 -4.053 -0.235 -2.557 1.00 0.00 O ATOM 322 CB LEU A 20 -1.527 -1.285 -1.443 1.00 0.00 C ATOM 323 CG LEU A 20 -1.447 -2.200 -0.204 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.750 -2.923 0.143 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.341 -3.263 -0.307 1.00 0.00 C ATOM 0 H LEU A 20 -1.348 -0.524 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.263 -2.950 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.513 -1.045 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.999 -0.347 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.219 -1.493 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.598 -3.542 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.531 -2.189 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.051 -3.553 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.338 -3.873 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.526 -3.898 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.626 -2.772 -0.417 1.00 0.00 H new ATOM 337 N ARG A 21 -4.648 -2.375 -2.974 1.00 0.00 N ATOM 338 CA ARG A 21 -6.085 -2.134 -3.032 1.00 0.00 C ATOM 339 C ARG A 21 -6.664 -2.168 -1.621 1.00 0.00 C ATOM 340 O ARG A 21 -6.101 -2.845 -0.755 1.00 0.00 O ATOM 341 CB ARG A 21 -6.780 -3.218 -3.874 1.00 0.00 C ATOM 342 CG ARG A 21 -6.522 -3.147 -5.383 1.00 0.00 C ATOM 343 CD ARG A 21 -7.150 -1.895 -6.001 1.00 0.00 C ATOM 344 NE ARG A 21 -7.442 -1.975 -7.441 1.00 0.00 N ATOM 345 CZ ARG A 21 -6.705 -2.418 -8.463 1.00 0.00 C ATOM 346 NH1 ARG A 21 -5.577 -3.108 -8.317 1.00 0.00 N ATOM 347 NH2 ARG A 21 -7.111 -2.152 -9.693 1.00 0.00 N ATOM 0 H ARG A 21 -4.388 -3.340 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.254 -1.159 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.459 -4.195 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.855 -3.153 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.448 -3.147 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.929 -4.036 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.078 -1.677 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.480 -1.052 -5.831 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.366 -1.633 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.230 -3.326 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.059 -3.419 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.968 -1.620 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.567 -2.479 -10.492 1.00 0.00 H new ATOM 361 N PHE A 22 -7.790 -1.493 -1.406 1.00 0.00 N ATOM 362 CA PHE A 22 -8.488 -1.447 -0.123 1.00 0.00 C ATOM 363 C PHE A 22 -9.976 -1.322 -0.385 1.00 0.00 C ATOM 364 O PHE A 22 -10.373 -0.826 -1.441 1.00 0.00 O ATOM 365 CB PHE A 22 -8.051 -0.248 0.725 1.00 0.00 C ATOM 366 CG PHE A 22 -6.617 -0.311 1.185 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.281 -0.966 2.385 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.619 0.296 0.408 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.943 -0.986 2.816 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.282 0.244 0.823 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.943 -0.385 2.033 1.00 0.00 C ATOM 0 H PHE A 22 -8.253 -0.950 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.248 -2.360 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.196 0.665 0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.699 -0.179 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.047 -1.451 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.881 0.803 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.684 -1.464 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.510 0.688 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.914 -0.406 2.361 1.00 0.00 H new ATOM 381 N SER A 23 -10.793 -1.804 0.541 1.00 0.00 N ATOM 382 CA SER A 23 -12.247 -1.734 0.451 1.00 0.00 C ATOM 383 C SER A 23 -12.670 -0.308 0.868 1.00 0.00 C ATOM 384 O SER A 23 -11.855 0.410 1.454 1.00 0.00 O ATOM 385 CB SER A 23 -12.821 -2.838 1.346 1.00 0.00 C ATOM 386 OG SER A 23 -12.192 -4.073 1.037 1.00 0.00 O ATOM 0 H SER A 23 -10.460 -2.262 1.390 1.00 0.00 H new ATOM 0 HA SER A 23 -12.630 -1.904 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.662 -2.589 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.898 -2.919 1.197 1.00 0.00 H new ATOM 0 HG SER A 23 -12.558 -4.779 1.610 1.00 0.00 H new ATOM 392 N PRO A 24 -13.921 0.131 0.637 1.00 0.00 N ATOM 393 CA PRO A 24 -14.334 1.485 0.998 1.00 0.00 C ATOM 394 C PRO A 24 -14.270 1.721 2.509 1.00 0.00 C ATOM 395 O PRO A 24 -13.750 2.747 2.944 1.00 0.00 O ATOM 396 CB PRO A 24 -15.739 1.671 0.421 1.00 0.00 C ATOM 397 CG PRO A 24 -16.264 0.247 0.253 1.00 0.00 C ATOM 398 CD PRO A 24 -15.007 -0.577 -0.020 1.00 0.00 C ATOM 0 HA PRO A 24 -13.655 2.230 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.372 2.253 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.712 2.201 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.781 -0.097 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.974 0.177 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.109 -1.588 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.824 -0.668 -1.091 1.00 0.00 H new ATOM 406 N VAL A 25 -14.730 0.751 3.303 1.00 0.00 N ATOM 407 CA VAL A 25 -14.736 0.818 4.760 1.00 0.00 C ATOM 408 C VAL A 25 -13.291 0.819 5.291 1.00 0.00 C ATOM 409 O VAL A 25 -12.976 1.526 6.250 1.00 0.00 O ATOM 410 CB VAL A 25 -15.574 -0.365 5.301 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.669 -0.370 6.834 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.011 -0.357 4.751 1.00 0.00 C ATOM 0 H VAL A 25 -15.116 -0.120 2.940 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.195 1.744 5.108 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.046 -1.256 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.268 -1.221 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.669 -0.447 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.138 0.554 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.561 -1.205 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.506 0.570 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.985 -0.430 3.664 1.00 0.00 H new ATOM 422 N GLU A 26 -12.394 0.027 4.688 1.00 0.00 N ATOM 423 CA GLU A 26 -10.992 -0.047 5.105 1.00 0.00 C ATOM 424 C GLU A 26 -10.319 1.308 4.894 1.00 0.00 C ATOM 425 O GLU A 26 -9.518 1.761 5.710 1.00 0.00 O ATOM 426 CB GLU A 26 -10.230 -1.089 4.273 1.00 0.00 C ATOM 427 CG GLU A 26 -10.672 -2.536 4.513 1.00 0.00 C ATOM 428 CD GLU A 26 -10.029 -3.521 3.528 1.00 0.00 C ATOM 429 OE1 GLU A 26 -9.241 -3.126 2.640 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.390 -4.721 3.581 1.00 0.00 O ATOM 0 H GLU A 26 -12.622 -0.578 3.899 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.970 -0.330 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.355 -0.854 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.166 -1.005 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.414 -2.826 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.757 -2.599 4.428 1.00 0.00 H new ATOM 437 N ASP A 27 -10.629 1.936 3.765 1.00 0.00 N ATOM 438 CA ASP A 27 -10.111 3.232 3.380 1.00 0.00 C ATOM 439 C ASP A 27 -10.653 4.315 4.285 1.00 0.00 C ATOM 440 O ASP A 27 -9.872 5.101 4.790 1.00 0.00 O ATOM 441 CB ASP A 27 -10.489 3.494 1.948 1.00 0.00 C ATOM 442 CG ASP A 27 -10.064 4.899 1.534 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.839 5.172 1.500 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.953 5.690 1.154 1.00 0.00 O ATOM 0 H ASP A 27 -11.268 1.540 3.075 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.025 3.237 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.014 2.758 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.566 3.381 1.823 1.00 0.00 H new ATOM 449 N GLU A 28 -11.959 4.341 4.539 1.00 0.00 N ATOM 450 CA GLU A 28 -12.574 5.328 5.418 1.00 0.00 C ATOM 451 C GLU A 28 -11.930 5.241 6.804 1.00 0.00 C ATOM 452 O GLU A 28 -11.766 6.254 7.480 1.00 0.00 O ATOM 453 CB GLU A 28 -14.082 5.064 5.504 1.00 0.00 C ATOM 454 CG GLU A 28 -14.830 5.558 4.260 1.00 0.00 C ATOM 455 CD GLU A 28 -15.192 7.041 4.366 1.00 0.00 C ATOM 456 OE1 GLU A 28 -14.309 7.899 4.152 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.371 7.343 4.673 1.00 0.00 O ATOM 0 H GLU A 28 -12.621 3.676 4.139 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.418 6.331 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.255 3.995 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.485 5.558 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.212 5.397 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.738 4.971 4.125 1.00 0.00 H new ATOM 464 N THR A 29 -11.546 4.041 7.234 1.00 0.00 N ATOM 465 CA THR A 29 -10.912 3.841 8.523 1.00 0.00 C ATOM 466 C THR A 29 -9.494 4.420 8.494 1.00 0.00 C ATOM 467 O THR A 29 -9.183 5.337 9.249 1.00 0.00 O ATOM 468 CB THR A 29 -10.930 2.339 8.869 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.248 1.807 8.803 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.357 2.051 10.257 1.00 0.00 C ATOM 0 H THR A 29 -11.668 3.184 6.694 1.00 0.00 H new ATOM 0 HA THR A 29 -11.458 4.367 9.306 1.00 0.00 H new ATOM 0 HB THR A 29 -10.298 1.857 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.437 1.513 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.393 0.979 10.450 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.323 2.393 10.302 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.946 2.575 11.010 1.00 0.00 H new ATOM 478 N ILE A 30 -8.636 3.906 7.612 1.00 0.00 N ATOM 479 CA ILE A 30 -7.244 4.329 7.493 1.00 0.00 C ATOM 480 C ILE A 30 -7.129 5.813 7.186 1.00 0.00 C ATOM 481 O ILE A 30 -6.279 6.485 7.754 1.00 0.00 O ATOM 482 CB ILE A 30 -6.497 3.431 6.483 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.310 2.050 7.149 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.126 4.007 6.057 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.043 0.915 6.163 1.00 0.00 C ATOM 0 H ILE A 30 -8.894 3.173 6.951 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.753 4.198 8.457 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.088 3.364 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.481 2.108 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.203 1.813 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.652 3.330 5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.270 4.981 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.489 4.117 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.923 -0.021 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.882 0.828 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.133 1.127 5.602 1.00 0.00 H new ATOM 497 N ARG A 31 -7.955 6.339 6.291 1.00 0.00 N ATOM 498 CA ARG A 31 -7.922 7.738 5.918 1.00 0.00 C ATOM 499 C ARG A 31 -8.282 8.616 7.107 1.00 0.00 C ATOM 500 O ARG A 31 -7.592 9.610 7.302 1.00 0.00 O ATOM 501 CB ARG A 31 -8.803 7.954 4.683 1.00 0.00 C ATOM 502 CG ARG A 31 -8.608 9.333 4.046 1.00 0.00 C ATOM 503 CD ARG A 31 -9.126 9.287 2.605 1.00 0.00 C ATOM 504 NE ARG A 31 -9.048 10.599 1.941 1.00 0.00 N ATOM 505 CZ ARG A 31 -9.542 10.857 0.722 1.00 0.00 C ATOM 506 NH1 ARG A 31 -10.170 9.909 0.037 1.00 0.00 N ATOM 507 NH2 ARG A 31 -9.418 12.049 0.158 1.00 0.00 N ATOM 0 H ARG A 31 -8.670 5.799 5.803 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.913 8.038 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.580 7.184 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.849 7.834 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.144 10.092 4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.554 9.610 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.547 8.559 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.160 8.943 2.604 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.589 11.360 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.279 8.977 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.544 10.112 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.936 12.800 0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.804 12.216 -0.771 1.00 0.00 H new ATOM 521 N LYS A 32 -9.325 8.291 7.886 1.00 0.00 N ATOM 522 CA LYS A 32 -9.647 9.147 9.033 1.00 0.00 C ATOM 523 C LYS A 32 -8.540 9.031 10.074 1.00 0.00 C ATOM 524 O LYS A 32 -8.092 10.049 10.594 1.00 0.00 O ATOM 525 CB LYS A 32 -11.011 8.854 9.668 1.00 0.00 C ATOM 526 CG LYS A 32 -12.139 9.703 9.064 1.00 0.00 C ATOM 527 CD LYS A 32 -12.621 9.150 7.723 1.00 0.00 C ATOM 528 CE LYS A 32 -13.594 10.086 6.997 1.00 0.00 C ATOM 529 NZ LYS A 32 -12.918 11.193 6.286 1.00 0.00 N ATOM 0 H LYS A 32 -9.932 7.482 7.753 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.714 10.167 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.248 7.798 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.956 9.040 10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.976 9.742 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.789 10.726 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.759 8.966 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.107 8.188 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.179 9.507 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.295 10.502 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.629 11.789 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.381 11.766 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.268 10.803 5.574 1.00 0.00 H new ATOM 543 N LYS A 33 -8.082 7.809 10.364 1.00 0.00 N ATOM 544 CA LYS A 33 -7.031 7.550 11.341 1.00 0.00 C ATOM 545 C LYS A 33 -5.779 8.339 11.001 1.00 0.00 C ATOM 546 O LYS A 33 -5.217 8.996 11.875 1.00 0.00 O ATOM 547 CB LYS A 33 -6.697 6.054 11.353 1.00 0.00 C ATOM 548 CG LYS A 33 -7.660 5.189 12.176 1.00 0.00 C ATOM 549 CD LYS A 33 -7.296 5.272 13.662 1.00 0.00 C ATOM 550 CE LYS A 33 -8.115 4.283 14.493 1.00 0.00 C ATOM 551 NZ LYS A 33 -7.444 3.986 15.771 1.00 0.00 N ATOM 0 H LYS A 33 -8.439 6.964 9.918 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.388 7.859 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.690 5.689 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.688 5.924 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.685 5.526 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.612 4.154 11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.234 5.065 13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.469 6.285 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.105 4.696 14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.258 3.361 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.019 3.313 16.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.509 3.571 15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.330 4.865 16.315 1.00 0.00 H new ATOM 565 N ALA A 34 -5.356 8.256 9.742 1.00 0.00 N ATOM 566 CA ALA A 34 -4.194 8.923 9.204 1.00 0.00 C ATOM 567 C ALA A 34 -4.332 10.436 9.362 1.00 0.00 C ATOM 568 O ALA A 34 -3.461 11.083 9.941 1.00 0.00 O ATOM 569 CB ALA A 34 -4.029 8.505 7.737 1.00 0.00 C ATOM 0 H ALA A 34 -5.843 7.693 9.044 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.297 8.631 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.155 9.000 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.898 7.424 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.917 8.793 7.174 1.00 0.00 H new ATOM 575 N GLU A 35 -5.438 10.998 8.873 1.00 0.00 N ATOM 576 CA GLU A 35 -5.715 12.427 8.934 1.00 0.00 C ATOM 577 C GLU A 35 -5.703 12.924 10.389 1.00 0.00 C ATOM 578 O GLU A 35 -5.140 13.982 10.680 1.00 0.00 O ATOM 579 CB GLU A 35 -7.049 12.687 8.215 1.00 0.00 C ATOM 580 CG GLU A 35 -7.254 14.138 7.778 1.00 0.00 C ATOM 581 CD GLU A 35 -8.670 14.369 7.249 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.154 13.625 6.361 1.00 0.00 O ATOM 583 OE2 GLU A 35 -9.357 15.284 7.758 1.00 0.00 O ATOM 0 H GLU A 35 -6.176 10.462 8.417 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.936 12.995 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.107 12.043 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.867 12.399 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.066 14.803 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.529 14.392 7.004 1.00 0.00 H new ATOM 590 N ASP A 36 -6.280 12.146 11.312 1.00 0.00 N ATOM 591 CA ASP A 36 -6.362 12.444 12.742 1.00 0.00 C ATOM 592 C ASP A 36 -4.970 12.378 13.369 1.00 0.00 C ATOM 593 O ASP A 36 -4.591 13.215 14.189 1.00 0.00 O ATOM 594 CB ASP A 36 -7.332 11.488 13.432 1.00 0.00 C ATOM 595 CG ASP A 36 -7.350 11.735 14.936 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.772 12.826 15.378 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.967 10.807 15.690 1.00 0.00 O ATOM 0 H ASP A 36 -6.719 11.257 11.071 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.746 13.455 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.334 11.621 13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.040 10.457 13.231 1.00 0.00 H new ATOM 602 N SER A 37 -4.173 11.395 12.956 1.00 0.00 N ATOM 603 CA SER A 37 -2.810 11.209 13.423 1.00 0.00 C ATOM 604 C SER A 37 -1.900 12.290 12.809 1.00 0.00 C ATOM 605 O SER A 37 -0.787 12.542 13.282 1.00 0.00 O ATOM 606 CB SER A 37 -2.349 9.803 13.011 1.00 0.00 C ATOM 607 OG SER A 37 -1.098 9.498 13.590 1.00 0.00 O ATOM 0 H SER A 37 -4.466 10.695 12.275 1.00 0.00 H new ATOM 0 HA SER A 37 -2.758 11.303 14.508 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.089 9.066 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.277 9.742 11.925 1.00 0.00 H new ATOM 0 HG SER A 37 -0.822 8.598 13.317 1.00 0.00 H new ATOM 613 N GLY A 38 -2.372 12.978 11.765 1.00 0.00 N ATOM 614 CA GLY A 38 -1.631 13.998 11.052 1.00 0.00 C ATOM 615 C GLY A 38 -0.573 13.350 10.151 1.00 0.00 C ATOM 616 O GLY A 38 0.199 14.071 9.518 1.00 0.00 O ATOM 0 H GLY A 38 -3.309 12.829 11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.312 14.600 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.152 14.673 11.761 1.00 0.00 H new ATOM 620 N LEU A 39 -0.482 12.017 10.122 1.00 0.00 N ATOM 621 CA LEU A 39 0.434 11.212 9.339 1.00 0.00 C ATOM 622 C LEU A 39 -0.355 10.818 8.110 1.00 0.00 C ATOM 623 O LEU A 39 -1.345 10.107 8.234 1.00 0.00 O ATOM 624 CB LEU A 39 0.847 9.925 10.085 1.00 0.00 C ATOM 625 CG LEU A 39 1.742 10.104 11.322 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.165 8.724 11.837 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.998 10.921 11.010 1.00 0.00 C ATOM 0 H LEU A 39 -1.098 11.437 10.692 1.00 0.00 H new ATOM 0 HA LEU A 39 1.347 11.767 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.059 9.404 10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.365 9.274 9.381 1.00 0.00 H new ATOM 0 HG LEU A 39 1.167 10.644 12.074 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.800 8.842 12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.279 8.148 12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.717 8.198 11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.600 11.022 11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.580 10.414 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.710 11.910 10.654 1.00 0.00 H new ATOM 639 N THR A 40 0.046 11.289 6.932 1.00 0.00 N ATOM 640 CA THR A 40 -0.633 10.961 5.682 1.00 0.00 C ATOM 641 C THR A 40 -0.783 9.434 5.565 1.00 0.00 C ATOM 642 O THR A 40 0.029 8.686 6.112 1.00 0.00 O ATOM 643 CB THR A 40 0.132 11.613 4.515 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.397 11.235 3.256 1.00 0.00 O ATOM 645 CG2 THR A 40 1.632 11.290 4.535 1.00 0.00 C ATOM 0 H THR A 40 0.849 11.907 6.817 1.00 0.00 H new ATOM 0 HA THR A 40 -1.645 11.364 5.656 1.00 0.00 H new ATOM 0 HB THR A 40 0.004 12.686 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.114 11.671 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.120 11.776 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.070 11.653 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.773 10.211 4.464 1.00 0.00 H new ATOM 653 N VAL A 41 -1.791 8.959 4.827 1.00 0.00 N ATOM 654 CA VAL A 41 -2.091 7.542 4.632 1.00 0.00 C ATOM 655 C VAL A 41 -0.837 6.722 4.335 1.00 0.00 C ATOM 656 O VAL A 41 -0.684 5.634 4.885 1.00 0.00 O ATOM 657 CB VAL A 41 -3.192 7.384 3.559 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.408 5.925 3.129 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.525 7.919 4.099 1.00 0.00 C ATOM 0 H VAL A 41 -2.440 9.572 4.334 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.479 7.134 5.565 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.855 7.950 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.193 5.881 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.482 5.527 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.702 5.330 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.298 7.805 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.808 7.359 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.418 8.974 4.352 1.00 0.00 H new ATOM 669 N SER A 42 0.069 7.210 3.491 1.00 0.00 N ATOM 670 CA SER A 42 1.284 6.476 3.172 1.00 0.00 C ATOM 671 C SER A 42 2.178 6.278 4.405 1.00 0.00 C ATOM 672 O SER A 42 2.677 5.172 4.628 1.00 0.00 O ATOM 673 CB SER A 42 2.003 7.166 2.006 1.00 0.00 C ATOM 674 OG SER A 42 1.836 8.577 2.045 1.00 0.00 O ATOM 0 H SER A 42 -0.018 8.109 3.018 1.00 0.00 H new ATOM 0 HA SER A 42 1.020 5.468 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.065 6.924 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.618 6.780 1.062 1.00 0.00 H new ATOM 0 HG SER A 42 2.309 8.983 1.289 1.00 0.00 H new ATOM 680 N ALA A 43 2.381 7.336 5.198 1.00 0.00 N ATOM 681 CA ALA A 43 3.182 7.293 6.413 1.00 0.00 C ATOM 682 C ALA A 43 2.494 6.395 7.431 1.00 0.00 C ATOM 683 O ALA A 43 3.152 5.565 8.040 1.00 0.00 O ATOM 684 CB ALA A 43 3.355 8.687 7.021 1.00 0.00 C ATOM 0 H ALA A 43 1.985 8.256 5.006 1.00 0.00 H new ATOM 0 HA ALA A 43 4.168 6.905 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.958 8.617 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.853 9.338 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.377 9.100 7.268 1.00 0.00 H new ATOM 690 N TYR A 44 1.179 6.554 7.601 1.00 0.00 N ATOM 691 CA TYR A 44 0.366 5.784 8.525 1.00 0.00 C ATOM 692 C TYR A 44 0.530 4.294 8.215 1.00 0.00 C ATOM 693 O TYR A 44 0.881 3.506 9.084 1.00 0.00 O ATOM 694 CB TYR A 44 -1.085 6.263 8.409 1.00 0.00 C ATOM 695 CG TYR A 44 -2.014 5.609 9.401 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.179 6.171 10.680 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.672 4.412 9.061 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.008 5.540 11.621 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.509 3.782 9.995 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.672 4.340 11.285 1.00 0.00 C ATOM 701 OH TYR A 44 -4.487 3.750 12.198 1.00 0.00 O ATOM 0 H TYR A 44 0.641 7.246 7.079 1.00 0.00 H new ATOM 0 HA TYR A 44 0.682 5.931 9.558 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.115 7.343 8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.446 6.065 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.668 7.087 10.938 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.533 3.978 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.138 5.972 12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.028 2.873 9.729 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.870 2.933 11.815 1.00 0.00 H new ATOM 711 N ILE A 45 0.334 3.913 6.950 1.00 0.00 N ATOM 712 CA ILE A 45 0.449 2.544 6.464 1.00 0.00 C ATOM 713 C ILE A 45 1.814 1.963 6.816 1.00 0.00 C ATOM 714 O ILE A 45 1.885 0.968 7.536 1.00 0.00 O ATOM 715 CB ILE A 45 0.183 2.513 4.937 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.329 2.676 4.654 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.778 1.277 4.220 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.129 1.375 4.730 1.00 0.00 C ATOM 0 H ILE A 45 0.083 4.574 6.215 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.299 1.919 6.952 1.00 0.00 H new ATOM 0 HB ILE A 45 0.715 3.363 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.745 3.387 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.456 3.109 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.549 1.329 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.859 1.261 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.345 0.369 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.178 1.580 4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.743 0.667 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.037 0.949 5.729 1.00 0.00 H new ATOM 730 N ARG A 46 2.893 2.553 6.287 1.00 0.00 N ATOM 731 CA ARG A 46 4.235 2.045 6.535 1.00 0.00 C ATOM 732 C ARG A 46 4.552 2.018 8.026 1.00 0.00 C ATOM 733 O ARG A 46 5.042 1.002 8.496 1.00 0.00 O ATOM 734 CB ARG A 46 5.281 2.767 5.665 1.00 0.00 C ATOM 735 CG ARG A 46 5.826 4.085 6.236 1.00 0.00 C ATOM 736 CD ARG A 46 6.547 4.878 5.145 1.00 0.00 C ATOM 737 NE ARG A 46 7.566 5.782 5.700 1.00 0.00 N ATOM 738 CZ ARG A 46 8.178 6.733 4.994 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.598 7.280 3.934 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.393 7.140 5.326 1.00 0.00 N ATOM 0 H ARG A 46 2.857 3.378 5.688 1.00 0.00 H new ATOM 0 HA ARG A 46 4.280 1.003 6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.119 2.090 5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.838 2.970 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.008 4.678 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.512 3.877 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.018 4.187 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.819 5.458 4.578 1.00 0.00 H new ATOM 0 HE ARG A 46 7.819 5.675 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.668 6.974 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.082 8.006 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.868 6.725 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.854 7.868 4.780 1.00 0.00 H new ATOM 754 N ASN A 47 4.269 3.087 8.770 1.00 0.00 N ATOM 755 CA ASN A 47 4.546 3.141 10.198 1.00 0.00 C ATOM 756 C ASN A 47 3.856 1.989 10.912 1.00 0.00 C ATOM 757 O ASN A 47 4.533 1.222 11.586 1.00 0.00 O ATOM 758 CB ASN A 47 4.110 4.474 10.820 1.00 0.00 C ATOM 759 CG ASN A 47 4.213 4.368 12.336 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.290 4.128 12.875 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.107 4.481 13.039 1.00 0.00 N ATOM 0 H ASN A 47 3.843 3.935 8.398 1.00 0.00 H new ATOM 0 HA ASN A 47 5.626 3.055 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.741 5.284 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.087 4.710 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.133 4.369 14.052 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.223 4.681 12.571 1.00 0.00 H new ATOM 768 N ALA A 48 2.541 1.847 10.738 1.00 0.00 N ATOM 769 CA ALA A 48 1.773 0.793 11.377 1.00 0.00 C ATOM 770 C ALA A 48 2.256 -0.606 10.978 1.00 0.00 C ATOM 771 O ALA A 48 2.198 -1.527 11.792 1.00 0.00 O ATOM 772 CB ALA A 48 0.291 0.968 11.029 1.00 0.00 C ATOM 0 H ALA A 48 1.983 2.464 10.148 1.00 0.00 H new ATOM 0 HA ALA A 48 1.916 0.877 12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.290 0.179 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.054 1.939 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.162 0.911 9.948 1.00 0.00 H new ATOM 778 N ALA A 49 2.722 -0.766 9.732 1.00 0.00 N ATOM 779 CA ALA A 49 3.197 -2.040 9.209 1.00 0.00 C ATOM 780 C ALA A 49 4.544 -2.464 9.797 1.00 0.00 C ATOM 781 O ALA A 49 4.779 -3.650 10.036 1.00 0.00 O ATOM 782 CB ALA A 49 3.371 -1.938 7.689 1.00 0.00 C ATOM 0 H ALA A 49 2.778 -0.003 9.058 1.00 0.00 H new ATOM 0 HA ALA A 49 2.449 -2.783 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.726 -2.892 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.414 -1.692 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.096 -1.158 7.457 1.00 0.00 H new ATOM 788 N LEU A 50 5.456 -1.507 9.949 1.00 0.00 N ATOM 789 CA LEU A 50 6.805 -1.730 10.451 1.00 0.00 C ATOM 790 C LEU A 50 6.891 -1.720 11.969 1.00 0.00 C ATOM 791 O LEU A 50 7.658 -2.496 12.534 1.00 0.00 O ATOM 792 CB LEU A 50 7.717 -0.593 9.956 1.00 0.00 C ATOM 793 CG LEU A 50 7.792 -0.432 8.427 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.231 0.996 8.097 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.721 -1.451 7.775 1.00 0.00 C ATOM 0 H LEU A 50 5.270 -0.531 9.720 1.00 0.00 H new ATOM 0 HA LEU A 50 7.108 -2.712 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.368 0.345 10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.724 -0.764 10.337 1.00 0.00 H new ATOM 0 HG LEU A 50 6.800 -0.620 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.287 1.119 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.508 1.702 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.211 1.186 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.736 -1.292 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.729 -1.332 8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.363 -2.458 7.988 1.00 0.00 H new ATOM 807 N ASN A 51 6.124 -0.861 12.630 1.00 0.00 N ATOM 808 CA ASN A 51 6.154 -0.706 14.080 1.00 0.00 C ATOM 809 C ASN A 51 4.981 -1.341 14.781 1.00 0.00 C ATOM 810 O ASN A 51 4.205 -0.619 15.461 1.00 0.00 O ATOM 811 CB ASN A 51 6.319 0.778 14.418 1.00 0.00 C ATOM 812 CG ASN A 51 7.584 1.340 13.794 1.00 0.00 C ATOM 813 OD1 ASN A 51 8.691 0.892 14.077 1.00 0.00 O ATOM 814 ND2 ASN A 51 7.448 2.285 12.885 1.00 0.00 N ATOM 0 H ASN A 51 5.455 -0.245 12.168 1.00 0.00 H new ATOM 0 HA ASN A 51 7.014 -1.255 14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.454 1.335 14.059 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.355 0.907 15.500 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.270 2.654 12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.521 2.647 12.661 1.00 0.00 H new ATOM 1055 N THR B 15 -13.538 0.417 -4.237 1.00 0.00 N ATOM 1056 CA THR B 15 -12.207 0.087 -3.768 1.00 0.00 C ATOM 1057 C THR B 15 -11.310 1.318 -3.958 1.00 0.00 C ATOM 1058 O THR B 15 -11.738 2.347 -4.488 1.00 0.00 O ATOM 1059 CB THR B 15 -11.726 -1.185 -4.512 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.566 -1.783 -3.963 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.433 -0.930 -5.995 1.00 0.00 C ATOM 0 HA THR B 15 -12.180 -0.153 -2.705 1.00 0.00 H new ATOM 0 HB THR B 15 -12.569 -1.865 -4.392 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.485 -1.534 -3.019 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.100 -1.856 -6.465 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.338 -0.578 -6.489 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.652 -0.175 -6.087 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.054 1.219 -3.556 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.063 2.277 -3.665 1.00 0.00 C ATOM 1071 C VAL B 16 -7.881 1.686 -4.413 1.00 0.00 C ATOM 1072 O VAL B 16 -7.590 0.505 -4.224 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.661 2.750 -2.260 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.901 4.075 -2.309 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.869 2.963 -1.348 1.00 0.00 C ATOM 0 H VAL B 16 -9.683 0.370 -3.130 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.448 3.146 -4.199 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.030 1.955 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.633 4.378 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.995 3.953 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.532 4.840 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.530 3.297 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.524 3.718 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.416 2.026 -1.243 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.190 2.473 -5.233 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.044 2.021 -6.001 1.00 0.00 C ATOM 1087 C VAL B 17 -4.965 3.101 -5.941 1.00 0.00 C ATOM 1088 O VAL B 17 -5.207 4.243 -6.343 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.508 1.625 -7.422 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -6.988 2.783 -8.308 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.407 0.850 -8.147 1.00 0.00 C ATOM 0 H VAL B 17 -7.417 3.456 -5.382 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.591 1.120 -5.587 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.386 1.000 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.290 2.396 -9.281 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.837 3.276 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.178 3.501 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.750 0.579 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.516 1.472 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.170 -0.054 -7.587 1.00 0.00 H new ATOM 1101 N ARG B 18 -3.789 2.767 -5.395 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.685 3.718 -5.307 1.00 0.00 C ATOM 1103 C ARG B 18 -1.346 3.000 -5.380 1.00 0.00 C ATOM 1104 O ARG B 18 -1.248 1.819 -5.033 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.796 4.571 -4.026 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.177 5.959 -4.249 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.331 6.862 -3.031 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.287 8.280 -3.417 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.660 9.304 -2.645 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.747 9.156 -1.326 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -2.966 10.468 -3.204 1.00 0.00 N ATOM 0 H ARG B 18 -3.582 1.846 -5.009 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.747 4.393 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.843 4.675 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.289 4.068 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.119 5.849 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.649 6.431 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.276 6.647 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.536 6.652 -2.315 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.943 8.500 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.528 8.256 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.032 9.942 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -2.916 10.576 -4.217 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.252 11.254 -2.621 1.00 0.00 H new ATOM 1125 N THR B 19 -0.322 3.756 -5.766 1.00 0.00 N ATOM 1126 CA THR B 19 1.048 3.301 -5.910 1.00 0.00 C ATOM 1127 C THR B 19 1.789 3.620 -4.610 1.00 0.00 C ATOM 1128 O THR B 19 2.277 4.735 -4.409 1.00 0.00 O ATOM 1129 CB THR B 19 1.690 3.979 -7.136 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.793 4.174 -8.213 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.899 3.200 -7.636 1.00 0.00 C ATOM 0 H THR B 19 -0.434 4.743 -5.995 1.00 0.00 H new ATOM 0 HA THR B 19 1.097 2.226 -6.081 1.00 0.00 H new ATOM 0 HB THR B 19 2.000 4.962 -6.781 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.263 4.609 -8.955 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.326 3.707 -8.501 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.646 3.141 -6.845 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.591 2.194 -7.921 1.00 0.00 H new ATOM 1139 N LEU B 20 1.843 2.661 -3.695 1.00 0.00 N ATOM 1140 CA LEU B 20 2.499 2.790 -2.398 1.00 0.00 C ATOM 1141 C LEU B 20 3.915 2.225 -2.502 1.00 0.00 C ATOM 1142 O LEU B 20 4.125 1.013 -2.446 1.00 0.00 O ATOM 1143 CB LEU B 20 1.668 2.103 -1.292 1.00 0.00 C ATOM 1144 CG LEU B 20 1.684 2.835 0.062 1.00 0.00 C ATOM 1145 CD1 LEU B 20 3.085 3.155 0.597 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.867 4.130 -0.019 1.00 0.00 C ATOM 0 H LEU B 20 1.419 1.744 -3.838 1.00 0.00 H new ATOM 0 HA LEU B 20 2.570 3.841 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.636 2.015 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.044 1.090 -1.148 1.00 0.00 H new ATOM 0 HG LEU B 20 1.236 2.136 0.768 1.00 0.00 H new ATOM 0 HD11 LEU B 20 3.000 3.670 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.643 2.229 0.732 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.609 3.794 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.889 4.635 0.947 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.295 4.783 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.164 3.894 -0.282 1.00 0.00 H new ATOM 1158 N ARG B 21 4.885 3.095 -2.757 1.00 0.00 N ATOM 1159 CA ARG B 21 6.291 2.722 -2.872 1.00 0.00 C ATOM 1160 C ARG B 21 6.857 2.487 -1.465 1.00 0.00 C ATOM 1161 O ARG B 21 6.430 3.177 -0.529 1.00 0.00 O ATOM 1162 CB ARG B 21 7.086 3.819 -3.611 1.00 0.00 C ATOM 1163 CG ARG B 21 6.491 4.266 -4.961 1.00 0.00 C ATOM 1164 CD ARG B 21 6.797 3.353 -6.151 1.00 0.00 C ATOM 1165 NE ARG B 21 8.072 3.684 -6.808 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.276 4.710 -7.648 1.00 0.00 C ATOM 1167 NH1 ARG B 21 7.304 5.571 -7.943 1.00 0.00 N ATOM 1168 NH2 ARG B 21 9.471 4.886 -8.191 1.00 0.00 N ATOM 0 H ARG B 21 4.716 4.092 -2.892 1.00 0.00 H new ATOM 0 HA ARG B 21 6.381 1.805 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.163 4.690 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.100 3.458 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.409 4.343 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG B 21 6.861 5.266 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG B 21 6.826 2.318 -5.811 1.00 0.00 H new ATOM 0 HD3 ARG B 21 5.988 3.427 -6.878 1.00 0.00 H new ATOM 0 HE ARG B 21 8.870 3.081 -6.607 1.00 0.00 H new ATOM 0 HH11 ARG B 21 6.379 5.458 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG B 21 7.484 6.343 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG B 21 10.231 4.243 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG B 21 9.631 5.665 -8.830 1.00 0.00 H new ATOM 1182 N PHE B 22 7.813 1.567 -1.317 1.00 0.00 N ATOM 1183 CA PHE B 22 8.461 1.233 -0.042 1.00 0.00 C ATOM 1184 C PHE B 22 9.962 1.113 -0.271 1.00 0.00 C ATOM 1185 O PHE B 22 10.378 0.846 -1.398 1.00 0.00 O ATOM 1186 CB PHE B 22 7.927 -0.084 0.542 1.00 0.00 C ATOM 1187 CG PHE B 22 6.489 -0.051 1.025 1.00 0.00 C ATOM 1188 CD1 PHE B 22 6.174 0.290 2.358 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.464 -0.431 0.144 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.843 0.218 2.808 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.133 -0.481 0.585 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.821 -0.162 1.922 1.00 0.00 C ATOM 0 H PHE B 22 8.169 1.018 -2.100 1.00 0.00 H new ATOM 0 HA PHE B 22 8.241 2.026 0.673 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.019 -0.861 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.565 -0.376 1.376 1.00 0.00 H new ATOM 0 HD1 PHE B 22 6.955 0.606 3.033 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.701 -0.686 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.607 0.455 3.835 1.00 0.00 H new ATOM 0 HE2 PHE B 22 3.347 -0.764 -0.100 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.798 -0.210 2.265 1.00 0.00 H new ATOM 1202 N SER B 23 10.770 1.350 0.755 1.00 0.00 N ATOM 1203 CA SER B 23 12.229 1.259 0.694 1.00 0.00 C ATOM 1204 C SER B 23 12.666 -0.210 0.854 1.00 0.00 C ATOM 1205 O SER B 23 11.842 -1.032 1.257 1.00 0.00 O ATOM 1206 CB SER B 23 12.773 2.174 1.800 1.00 0.00 C ATOM 1207 OG SER B 23 12.649 3.512 1.362 1.00 0.00 O ATOM 0 H SER B 23 10.423 1.618 1.676 1.00 0.00 H new ATOM 0 HA SER B 23 12.627 1.586 -0.266 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.218 2.023 2.726 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.816 1.938 2.011 1.00 0.00 H new ATOM 0 HG SER B 23 12.989 4.116 2.055 1.00 0.00 H new ATOM 1213 N PRO B 24 13.943 -0.566 0.604 1.00 0.00 N ATOM 1214 CA PRO B 24 14.393 -1.953 0.732 1.00 0.00 C ATOM 1215 C PRO B 24 14.294 -2.435 2.179 1.00 0.00 C ATOM 1216 O PRO B 24 13.964 -3.589 2.434 1.00 0.00 O ATOM 1217 CB PRO B 24 15.831 -1.992 0.206 1.00 0.00 C ATOM 1218 CG PRO B 24 16.310 -0.546 0.321 1.00 0.00 C ATOM 1219 CD PRO B 24 15.035 0.278 0.137 1.00 0.00 C ATOM 0 HA PRO B 24 13.761 -2.630 0.157 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.453 -2.666 0.795 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.869 -2.344 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.774 -0.354 1.289 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.053 -0.309 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.084 1.205 0.708 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.896 0.554 -0.908 1.00 0.00 H new ATOM 1227 N VAL B 25 14.572 -1.565 3.149 1.00 0.00 N ATOM 1228 CA VAL B 25 14.487 -1.919 4.560 1.00 0.00 C ATOM 1229 C VAL B 25 13.020 -2.191 4.901 1.00 0.00 C ATOM 1230 O VAL B 25 12.710 -3.184 5.557 1.00 0.00 O ATOM 1231 CB VAL B 25 15.104 -0.785 5.401 1.00 0.00 C ATOM 1232 CG1 VAL B 25 14.956 -1.002 6.914 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.596 -0.634 5.080 1.00 0.00 C ATOM 0 H VAL B 25 14.860 -0.602 2.978 1.00 0.00 H new ATOM 0 HA VAL B 25 15.051 -2.824 4.785 1.00 0.00 H new ATOM 0 HB VAL B 25 14.553 0.117 5.135 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.411 -0.168 7.447 1.00 0.00 H new ATOM 0 HG12 VAL B 25 13.899 -1.063 7.171 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.453 -1.929 7.199 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.018 0.171 5.682 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.113 -1.566 5.307 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.719 -0.399 4.023 1.00 0.00 H new ATOM 1243 N GLU B 26 12.121 -1.315 4.446 1.00 0.00 N ATOM 1244 CA GLU B 26 10.692 -1.424 4.696 1.00 0.00 C ATOM 1245 C GLU B 26 10.136 -2.719 4.113 1.00 0.00 C ATOM 1246 O GLU B 26 9.435 -3.446 4.813 1.00 0.00 O ATOM 1247 CB GLU B 26 9.941 -0.213 4.114 1.00 0.00 C ATOM 1248 CG GLU B 26 10.369 1.120 4.741 1.00 0.00 C ATOM 1249 CD GLU B 26 9.739 2.360 4.091 1.00 0.00 C ATOM 1250 OE1 GLU B 26 9.166 2.293 2.977 1.00 0.00 O ATOM 1251 OE2 GLU B 26 9.946 3.465 4.636 1.00 0.00 O ATOM 0 H GLU B 26 12.374 -0.501 3.886 1.00 0.00 H new ATOM 0 HA GLU B 26 10.542 -1.439 5.775 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.109 -0.172 3.038 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.870 -0.351 4.264 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.110 1.109 5.800 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.454 1.204 4.679 1.00 0.00 H new ATOM 1258 N ASP B 27 10.446 -3.002 2.846 1.00 0.00 N ATOM 1259 CA ASP B 27 9.975 -4.194 2.158 1.00 0.00 C ATOM 1260 C ASP B 27 10.438 -5.450 2.840 1.00 0.00 C ATOM 1261 O ASP B 27 9.587 -6.261 3.159 1.00 0.00 O ATOM 1262 CB ASP B 27 10.455 -4.254 0.714 1.00 0.00 C ATOM 1263 CG ASP B 27 9.801 -5.434 -0.031 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.571 -5.373 -0.272 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.508 -6.343 -0.527 1.00 0.00 O ATOM 0 H ASP B 27 11.036 -2.402 2.269 1.00 0.00 H new ATOM 0 HA ASP B 27 8.887 -4.130 2.182 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.214 -3.320 0.207 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.540 -4.359 0.691 1.00 0.00 H new ATOM 1270 N GLU B 28 11.739 -5.606 3.087 1.00 0.00 N ATOM 1271 CA GLU B 28 12.250 -6.804 3.733 1.00 0.00 C ATOM 1272 C GLU B 28 11.562 -6.972 5.084 1.00 0.00 C ATOM 1273 O GLU B 28 11.095 -8.063 5.392 1.00 0.00 O ATOM 1274 CB GLU B 28 13.774 -6.737 3.871 1.00 0.00 C ATOM 1275 CG GLU B 28 14.509 -6.703 2.519 1.00 0.00 C ATOM 1276 CD GLU B 28 14.582 -8.008 1.741 1.00 0.00 C ATOM 1277 OE1 GLU B 28 13.841 -8.977 2.006 1.00 0.00 O ATOM 1278 OE2 GLU B 28 15.435 -8.057 0.820 1.00 0.00 O ATOM 0 H GLU B 28 12.452 -4.917 2.848 1.00 0.00 H new ATOM 0 HA GLU B 28 12.028 -7.678 3.120 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.041 -5.849 4.444 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.118 -7.600 4.442 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.023 -5.959 1.888 1.00 0.00 H new ATOM 0 HG3 GLU B 28 15.527 -6.356 2.695 1.00 0.00 H new ATOM 1285 N THR B 29 11.423 -5.899 5.867 1.00 0.00 N ATOM 1286 CA THR B 29 10.776 -5.987 7.168 1.00 0.00 C ATOM 1287 C THR B 29 9.343 -6.523 7.020 1.00 0.00 C ATOM 1288 O THR B 29 8.977 -7.496 7.685 1.00 0.00 O ATOM 1289 CB THR B 29 10.786 -4.616 7.867 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.084 -4.057 7.931 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.256 -4.721 9.295 1.00 0.00 C ATOM 0 H THR B 29 11.750 -4.965 5.619 1.00 0.00 H new ATOM 0 HA THR B 29 11.335 -6.686 7.790 1.00 0.00 H new ATOM 0 HB THR B 29 10.143 -3.972 7.267 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.360 -3.767 7.036 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.275 -3.737 9.763 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.232 -5.094 9.277 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.882 -5.407 9.866 1.00 0.00 H new ATOM 1299 N ILE B 30 8.538 -5.898 6.155 1.00 0.00 N ATOM 1300 CA ILE B 30 7.152 -6.271 5.906 1.00 0.00 C ATOM 1301 C ILE B 30 7.063 -7.691 5.352 1.00 0.00 C ATOM 1302 O ILE B 30 6.212 -8.466 5.768 1.00 0.00 O ATOM 1303 CB ILE B 30 6.487 -5.231 4.972 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.277 -3.916 5.760 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.142 -5.753 4.411 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.058 -2.684 4.877 1.00 0.00 C ATOM 0 H ILE B 30 8.844 -5.100 5.598 1.00 0.00 H new ATOM 0 HA ILE B 30 6.603 -6.268 6.848 1.00 0.00 H new ATOM 0 HB ILE B 30 7.141 -5.050 4.119 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.417 -4.034 6.420 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.145 -3.744 6.396 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.702 -4.998 3.759 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.315 -6.667 3.843 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.460 -5.962 5.236 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.919 -1.805 5.507 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.927 -2.537 4.235 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.172 -2.832 4.260 1.00 0.00 H new ATOM 1318 N ARG B 31 7.918 -8.037 4.401 1.00 0.00 N ATOM 1319 CA ARG B 31 7.982 -9.326 3.731 1.00 0.00 C ATOM 1320 C ARG B 31 8.310 -10.440 4.708 1.00 0.00 C ATOM 1321 O ARG B 31 7.659 -11.484 4.669 1.00 0.00 O ATOM 1322 CB ARG B 31 9.033 -9.167 2.627 1.00 0.00 C ATOM 1323 CG ARG B 31 9.171 -10.312 1.632 1.00 0.00 C ATOM 1324 CD ARG B 31 10.177 -9.851 0.574 1.00 0.00 C ATOM 1325 NE ARG B 31 10.006 -10.582 -0.686 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.258 -10.091 -1.901 1.00 0.00 C ATOM 1327 NH1 ARG B 31 10.680 -8.838 -2.049 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.068 -10.857 -2.969 1.00 0.00 N ATOM 0 H ARG B 31 8.626 -7.388 4.057 1.00 0.00 H new ATOM 0 HA ARG B 31 7.022 -9.613 3.301 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.803 -8.259 2.069 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.002 -9.012 3.102 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.519 -11.218 2.129 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.209 -10.548 1.176 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.055 -8.783 0.395 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.191 -9.998 0.946 1.00 0.00 H new ATOM 0 HE ARG B 31 9.667 -11.542 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG B 31 10.813 -8.245 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG B 31 10.870 -8.471 -2.981 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.732 -11.813 -2.857 1.00 0.00 H new ATOM 0 HH22 ARG B 31 10.258 -10.489 -3.901 1.00 0.00 H new ATOM 1342 N LYS B 32 9.307 -10.235 5.568 1.00 0.00 N ATOM 1343 CA LYS B 32 9.714 -11.236 6.542 1.00 0.00 C ATOM 1344 C LYS B 32 8.595 -11.424 7.551 1.00 0.00 C ATOM 1345 O LYS B 32 8.287 -12.567 7.892 1.00 0.00 O ATOM 1346 CB LYS B 32 11.054 -10.878 7.210 1.00 0.00 C ATOM 1347 CG LYS B 32 12.264 -11.458 6.456 1.00 0.00 C ATOM 1348 CD LYS B 32 12.605 -10.652 5.200 1.00 0.00 C ATOM 1349 CE LYS B 32 13.721 -11.252 4.351 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.377 -12.557 3.757 1.00 0.00 N ATOM 0 H LYS B 32 9.851 -9.373 5.606 1.00 0.00 H new ATOM 0 HA LYS B 32 9.888 -12.183 6.032 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.150 -9.794 7.265 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.056 -11.250 8.234 1.00 0.00 H new ATOM 0 HG2 LYS B 32 13.129 -11.476 7.120 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.055 -12.491 6.177 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.708 -10.560 4.587 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.893 -9.644 5.497 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.973 -10.554 3.552 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.613 -11.367 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.160 -12.881 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.214 -13.251 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.515 -12.461 3.184 1.00 0.00 H new ATOM 1364 N LYS B 33 7.984 -10.323 8.004 1.00 0.00 N ATOM 1365 CA LYS B 33 6.886 -10.349 8.959 1.00 0.00 C ATOM 1366 C LYS B 33 5.692 -11.070 8.356 1.00 0.00 C ATOM 1367 O LYS B 33 5.191 -12.001 8.968 1.00 0.00 O ATOM 1368 CB LYS B 33 6.475 -8.916 9.328 1.00 0.00 C ATOM 1369 CG LYS B 33 7.383 -8.293 10.390 1.00 0.00 C ATOM 1370 CD LYS B 33 6.885 -8.644 11.794 1.00 0.00 C ATOM 1371 CE LYS B 33 7.884 -8.125 12.821 1.00 0.00 C ATOM 1372 NZ LYS B 33 7.351 -8.212 14.187 1.00 0.00 N ATOM 0 H LYS B 33 8.246 -9.382 7.710 1.00 0.00 H new ATOM 0 HA LYS B 33 7.216 -10.874 9.855 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.493 -8.296 8.432 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.448 -8.920 9.692 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.404 -8.652 10.260 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.407 -7.210 10.266 1.00 0.00 H new ATOM 0 HD2 LYS B 33 5.904 -8.202 11.967 1.00 0.00 H new ATOM 0 HD3 LYS B 33 6.770 -9.723 11.893 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.808 -8.700 12.753 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.135 -7.089 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.058 -7.850 14.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 6.483 -7.644 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.135 -9.204 14.413 1.00 0.00 H new ATOM 1386 N ALA B 34 5.247 -10.655 7.173 1.00 0.00 N ATOM 1387 CA ALA B 34 4.104 -11.218 6.471 1.00 0.00 C ATOM 1388 C ALA B 34 4.226 -12.737 6.334 1.00 0.00 C ATOM 1389 O ALA B 34 3.303 -13.481 6.683 1.00 0.00 O ATOM 1390 CB ALA B 34 3.962 -10.521 5.111 1.00 0.00 C ATOM 0 H ALA B 34 5.689 -9.891 6.662 1.00 0.00 H new ATOM 0 HA ALA B 34 3.197 -11.040 7.049 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.107 -10.936 4.577 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.810 -9.453 5.264 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.868 -10.678 4.525 1.00 0.00 H new ATOM 1396 N GLU B 35 5.374 -13.210 5.844 1.00 0.00 N ATOM 1397 CA GLU B 35 5.580 -14.644 5.668 1.00 0.00 C ATOM 1398 C GLU B 35 5.556 -15.391 7.005 1.00 0.00 C ATOM 1399 O GLU B 35 4.974 -16.470 7.078 1.00 0.00 O ATOM 1400 CB GLU B 35 6.879 -14.959 4.904 1.00 0.00 C ATOM 1401 CG GLU B 35 6.577 -15.690 3.589 1.00 0.00 C ATOM 1402 CD GLU B 35 7.855 -16.036 2.821 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.553 -15.095 2.362 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.144 -17.245 2.667 1.00 0.00 O ATOM 0 H GLU B 35 6.164 -12.628 5.566 1.00 0.00 H new ATOM 0 HA GLU B 35 4.745 -14.997 5.063 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.416 -14.034 4.695 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.531 -15.573 5.525 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.022 -16.604 3.801 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.937 -15.066 2.966 1.00 0.00 H new ATOM 1411 N ASP B 36 6.146 -14.829 8.060 1.00 0.00 N ATOM 1412 CA ASP B 36 6.225 -15.454 9.383 1.00 0.00 C ATOM 1413 C ASP B 36 4.901 -15.411 10.141 1.00 0.00 C ATOM 1414 O ASP B 36 4.597 -16.327 10.901 1.00 0.00 O ATOM 1415 CB ASP B 36 7.322 -14.769 10.213 1.00 0.00 C ATOM 1416 CG ASP B 36 7.559 -15.480 11.549 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.845 -16.699 11.532 1.00 0.00 O ATOM 1418 OD2 ASP B 36 7.549 -14.809 12.611 1.00 0.00 O ATOM 0 H ASP B 36 6.590 -13.912 8.020 1.00 0.00 H new ATOM 0 HA ASP B 36 6.467 -16.505 9.227 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.250 -14.751 9.642 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.042 -13.732 10.399 1.00 0.00 H new ATOM 1423 N SER B 37 4.086 -14.382 9.910 1.00 0.00 N ATOM 1424 CA SER B 37 2.802 -14.207 10.567 1.00 0.00 C ATOM 1425 C SER B 37 1.665 -14.931 9.834 1.00 0.00 C ATOM 1426 O SER B 37 0.548 -14.934 10.353 1.00 0.00 O ATOM 1427 CB SER B 37 2.505 -12.705 10.742 1.00 0.00 C ATOM 1428 OG SER B 37 2.119 -12.412 12.075 1.00 0.00 O ATOM 0 H SER B 37 4.308 -13.637 9.249 1.00 0.00 H new ATOM 0 HA SER B 37 2.862 -14.669 11.553 1.00 0.00 H new ATOM 0 HB2 SER B 37 3.389 -12.124 10.480 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.712 -12.406 10.057 1.00 0.00 H new ATOM 0 HG SER B 37 1.938 -11.453 12.160 1.00 0.00 H new ATOM 1434 N GLY B 38 1.900 -15.519 8.656 1.00 0.00 N ATOM 1435 CA GLY B 38 0.851 -16.234 7.925 1.00 0.00 C ATOM 1436 C GLY B 38 -0.158 -15.319 7.219 1.00 0.00 C ATOM 1437 O GLY B 38 -1.242 -15.776 6.832 1.00 0.00 O ATOM 0 H GLY B 38 2.807 -15.513 8.190 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.318 -16.882 7.183 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.315 -16.880 8.620 1.00 0.00 H new ATOM 1441 N LEU B 39 0.154 -14.026 7.078 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.680 -13.026 6.430 1.00 0.00 C ATOM 1443 C LEU B 39 0.158 -12.457 5.301 1.00 0.00 C ATOM 1444 O LEU B 39 1.159 -11.799 5.568 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.102 -11.884 7.384 1.00 0.00 C ATOM 1446 CG LEU B 39 -2.017 -12.240 8.571 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.569 -10.949 9.190 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.214 -13.109 8.177 1.00 0.00 C ATOM 0 H LEU B 39 1.030 -13.639 7.428 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.605 -13.488 6.085 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.195 -11.430 7.784 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.605 -11.121 6.790 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.403 -12.806 9.271 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.217 -11.197 10.031 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.742 -10.331 9.539 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.140 -10.401 8.440 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.816 -13.322 9.061 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.822 -12.580 7.443 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.858 -14.045 7.746 1.00 0.00 H new ATOM 1460 N THR B 40 -0.224 -12.714 4.053 1.00 0.00 N ATOM 1461 CA THR B 40 0.460 -12.228 2.857 1.00 0.00 C ATOM 1462 C THR B 40 0.647 -10.710 2.954 1.00 0.00 C ATOM 1463 O THR B 40 -0.126 -10.038 3.628 1.00 0.00 O ATOM 1464 CB THR B 40 -0.351 -12.697 1.644 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.316 -12.484 0.423 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.749 -12.075 1.577 1.00 0.00 C ATOM 0 H THR B 40 -1.043 -13.283 3.839 1.00 0.00 H new ATOM 0 HA THR B 40 1.467 -12.633 2.753 1.00 0.00 H new ATOM 0 HB THR B 40 -0.463 -13.771 1.793 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.244 -12.802 -0.316 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.271 -12.448 0.696 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.310 -12.344 2.472 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.662 -10.990 1.515 1.00 0.00 H new ATOM 1474 N VAL B 41 1.631 -10.145 2.251 1.00 0.00 N ATOM 1475 CA VAL B 41 1.969 -8.721 2.266 1.00 0.00 C ATOM 1476 C VAL B 41 0.733 -7.823 2.175 1.00 0.00 C ATOM 1477 O VAL B 41 0.587 -6.908 2.985 1.00 0.00 O ATOM 1478 CB VAL B 41 3.047 -8.433 1.195 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.334 -6.935 1.006 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.365 -9.130 1.574 1.00 0.00 C ATOM 0 H VAL B 41 2.236 -10.687 1.634 1.00 0.00 H new ATOM 0 HA VAL B 41 2.402 -8.467 3.233 1.00 0.00 H new ATOM 0 HB VAL B 41 2.648 -8.819 0.257 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.099 -6.805 0.241 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.421 -6.426 0.697 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.685 -6.510 1.946 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.118 -8.922 0.814 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.710 -8.757 2.538 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.202 -10.206 1.638 1.00 0.00 H new ATOM 1490 N SER B 42 -0.190 -8.092 1.250 1.00 0.00 N ATOM 1491 CA SER B 42 -1.377 -7.262 1.114 1.00 0.00 C ATOM 1492 C SER B 42 -2.252 -7.313 2.384 1.00 0.00 C ATOM 1493 O SER B 42 -2.684 -6.264 2.879 1.00 0.00 O ATOM 1494 CB SER B 42 -2.126 -7.645 -0.170 1.00 0.00 C ATOM 1495 OG SER B 42 -1.221 -7.662 -1.269 1.00 0.00 O ATOM 0 H SER B 42 -0.136 -8.870 0.593 1.00 0.00 H new ATOM 0 HA SER B 42 -1.084 -6.217 1.016 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.589 -8.625 -0.053 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.929 -6.933 -0.359 1.00 0.00 H new ATOM 0 HG SER B 42 -1.703 -7.909 -2.086 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.522 -8.514 2.912 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.308 -8.726 4.122 1.00 0.00 C ATOM 1503 C ALA B 43 -2.577 -8.130 5.325 1.00 0.00 C ATOM 1504 O ALA B 43 -3.213 -7.481 6.139 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.563 -10.216 4.373 1.00 0.00 C ATOM 0 H ALA B 43 -2.189 -9.383 2.495 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.270 -8.232 3.985 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.151 -10.336 5.283 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -4.109 -10.639 3.529 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.611 -10.734 4.486 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.263 -8.330 5.438 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.420 -7.824 6.511 1.00 0.00 C ATOM 1513 C TYR B 44 -0.619 -6.314 6.614 1.00 0.00 C ATOM 1514 O TYR B 44 -0.990 -5.812 7.669 1.00 0.00 O ATOM 1515 CB TYR B 44 1.043 -8.206 6.254 1.00 0.00 C ATOM 1516 CG TYR B 44 1.982 -7.712 7.334 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.163 -8.467 8.507 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.637 -6.476 7.185 1.00 0.00 C ATOM 1519 CE1 TYR B 44 2.978 -7.977 9.542 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.472 -5.992 8.206 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.630 -6.732 9.399 1.00 0.00 C ATOM 1522 OH TYR B 44 4.396 -6.249 10.415 1.00 0.00 O ATOM 0 H TYR B 44 -0.739 -8.873 4.752 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.698 -8.271 7.465 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.122 -9.291 6.180 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.356 -7.797 5.293 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.675 -9.425 8.612 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.498 -5.898 6.284 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.106 -8.553 10.447 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.993 -5.055 8.079 1.00 0.00 H new ATOM 0 HH TYR B 44 4.545 -5.289 10.285 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.444 -5.602 5.494 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.603 -4.154 5.416 1.00 0.00 C ATOM 1534 C ILE B 45 -1.980 -3.720 5.925 1.00 0.00 C ATOM 1535 O ILE B 45 -2.069 -2.945 6.875 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.342 -3.677 3.963 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.153 -3.740 3.583 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.907 -2.272 3.673 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.039 -2.740 4.322 1.00 0.00 C ATOM 0 H ILE B 45 -0.184 -6.028 4.604 1.00 0.00 H new ATOM 0 HA ILE B 45 0.132 -3.680 6.066 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.885 -4.382 3.334 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.522 -4.747 3.779 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.250 -3.568 2.511 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.690 -1.999 2.640 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.986 -2.274 3.829 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.445 -1.548 4.344 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.072 -2.856 3.992 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.701 -1.726 4.107 1.00 0.00 H new ATOM 0 HD13 ILE B 45 1.978 -2.923 5.395 1.00 0.00 H new ATOM 1551 N ARG B 46 -3.061 -4.180 5.281 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.411 -3.778 5.689 1.00 0.00 C ATOM 1553 C ARG B 46 -4.678 -4.131 7.148 1.00 0.00 C ATOM 1554 O ARG B 46 -5.189 -3.297 7.884 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.495 -4.281 4.709 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.883 -5.760 4.869 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.618 -6.310 3.645 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.116 -7.669 3.877 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.754 -8.435 2.986 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.077 -7.981 1.779 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -8.041 -9.681 3.324 1.00 0.00 N ATOM 0 H ARG B 46 -3.028 -4.821 4.488 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.469 -2.691 5.631 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.389 -3.671 4.836 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.143 -4.122 3.690 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.984 -6.351 5.045 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.516 -5.873 5.749 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.452 -5.654 3.396 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.946 -6.310 2.787 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.962 -8.067 4.803 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.838 -7.026 1.513 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.564 -8.588 1.119 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.776 -10.034 4.244 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.527 -10.289 2.665 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.319 -5.337 7.572 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.525 -5.807 8.927 1.00 0.00 C ATOM 1577 C ASN B 47 -3.843 -4.897 9.942 1.00 0.00 C ATOM 1578 O ASN B 47 -4.520 -4.386 10.831 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.039 -7.252 9.046 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.322 -7.781 10.433 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.473 -8.012 10.786 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.301 -7.988 11.231 1.00 0.00 N ATOM 0 H ASN B 47 -3.868 -6.025 6.968 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.591 -5.779 9.152 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.537 -7.874 8.302 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.970 -7.303 8.840 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.454 -8.350 12.172 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.354 -7.787 10.910 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.534 -4.679 9.791 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.732 -3.842 10.677 1.00 0.00 C ATOM 1591 C ALA B 48 -2.194 -2.384 10.677 1.00 0.00 C ATOM 1592 O ALA B 48 -2.067 -1.693 11.682 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.266 -3.896 10.219 1.00 0.00 C ATOM 0 H ALA B 48 -1.993 -5.091 9.031 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.846 -4.228 11.690 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.343 -3.274 10.874 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.091 -4.925 10.261 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.191 -3.528 9.196 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.709 -1.900 9.545 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.157 -0.526 9.414 1.00 0.00 C ATOM 1601 C ALA B 49 -4.511 -0.271 10.067 1.00 0.00 C ATOM 1602 O ALA B 49 -4.709 0.784 10.657 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.217 -0.163 7.935 1.00 0.00 C ATOM 0 H ALA B 49 -2.824 -2.455 8.697 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.438 0.103 9.939 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.553 0.868 7.827 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.226 -0.270 7.494 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.915 -0.827 7.425 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.464 -1.189 9.930 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.802 -1.026 10.499 1.00 0.00 C ATOM 1611 C LEU B 50 -6.799 -1.222 12.007 1.00 0.00 C ATOM 1612 O LEU B 50 -7.500 -0.508 12.724 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.753 -2.052 9.873 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.922 -1.843 8.361 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.413 -3.144 7.733 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.883 -0.702 8.043 1.00 0.00 C ATOM 0 H LEU B 50 -5.333 -2.065 9.423 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.132 -0.010 10.282 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.373 -3.057 10.058 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.727 -1.985 10.358 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.954 -1.566 7.942 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.536 -3.006 6.659 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.685 -3.934 7.916 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.370 -3.423 8.175 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.971 -0.591 6.962 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.863 -0.923 8.466 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.503 0.225 8.473 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.079 -2.247 12.457 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.959 -2.595 13.864 1.00 0.00 C ATOM 1630 C ASN B 51 -5.037 -1.635 14.581 1.00 0.00 C ATOM 1631 O ASN B 51 -4.845 -1.810 15.808 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.457 -4.034 14.014 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.539 -5.033 13.677 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.355 -5.367 14.534 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.607 -5.469 12.436 1.00 0.00 N ATOM 0 H ASN B 51 -5.555 -2.868 11.840 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.946 -2.520 14.320 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.598 -4.191 13.361 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.115 -4.197 15.036 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.355 -6.105 12.159 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.912 -5.170 11.752 1.00 0.00 H new