USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 499 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 17 GLN : amide:sc= 0 X(o=-0.15,f=-0.16) USER MOD Set 1.2: A 37 GLN : amide:sc= -0.151 K(o=-0.15,f=-2!) USER MOD Single : A 18 GLN : amide:sc= -0.45 K(o=-0.45,f=-3.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 GLN : amide:sc= -1.92 K(o=-1.9,f=-1.2) USER MOD Single : A 28 THR OG1 : rot 30:sc= -4.47! USER MOD Single : A 31 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 171:sc= -1.47! USER MOD Single : A 44 ASN : amide:sc= -4.91! C(o=-4.9!,f=-3.7!) USER MOD Single : A 46 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.047) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0393 K(o=-0.039,f=-0.87) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 113 SER OG : rot -170:sc=0.000797 USER MOD Single : A 127 GLN : amide:sc= -0.967! K(o=-0.97!,f=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 87:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -22.021 -37.484 -6.066 1.00 0.00 N ATOM 251 CA GLN A 17 -22.401 -38.818 -5.617 1.00 0.00 C ATOM 252 C GLN A 17 -21.255 -39.796 -5.855 1.00 0.00 C ATOM 253 O GLN A 17 -20.977 -40.658 -5.022 1.00 0.00 O ATOM 254 CB GLN A 17 -23.671 -39.297 -6.340 1.00 0.00 C ATOM 255 CG GLN A 17 -23.305 -40.219 -7.504 1.00 0.00 C ATOM 256 CD GLN A 17 -24.543 -40.515 -8.342 1.00 0.00 C ATOM 257 OE1 GLN A 17 -25.571 -40.930 -7.807 1.00 0.00 O ATOM 258 NE2 GLN A 17 -24.508 -40.326 -9.633 1.00 0.00 N ATOM 0 HA GLN A 17 -22.614 -38.775 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.319 -39.824 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -24.232 -38.439 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -22.540 -39.751 -8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.882 -41.149 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.656 -39.982 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -25.333 -40.522 -10.200 1.00 0.00 H new ATOM 267 N GLN A 18 -20.585 -39.645 -6.994 1.00 0.00 N ATOM 268 CA GLN A 18 -19.463 -40.512 -7.331 1.00 0.00 C ATOM 269 C GLN A 18 -18.513 -40.646 -6.144 1.00 0.00 C ATOM 270 O GLN A 18 -18.228 -41.753 -5.689 1.00 0.00 O ATOM 271 CB GLN A 18 -18.704 -39.939 -8.531 1.00 0.00 C ATOM 272 CG GLN A 18 -19.664 -39.777 -9.715 1.00 0.00 C ATOM 273 CD GLN A 18 -19.330 -40.781 -10.816 1.00 0.00 C ATOM 274 OE1 GLN A 18 -18.457 -41.632 -10.645 1.00 0.00 O ATOM 275 NE2 GLN A 18 -19.979 -40.732 -11.947 1.00 0.00 N ATOM 0 H GLN A 18 -20.798 -38.935 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.853 -41.498 -7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.265 -38.976 -8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.882 -40.600 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.691 -39.923 -9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.598 -38.762 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.703 -40.027 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.763 -41.398 -12.688 1.00 0.00 H new ATOM 284 N THR A 19 -18.027 -39.512 -5.645 1.00 0.00 N ATOM 285 CA THR A 19 -17.113 -39.525 -4.510 1.00 0.00 C ATOM 286 C THR A 19 -17.861 -39.879 -3.233 1.00 0.00 C ATOM 287 O THR A 19 -17.371 -40.637 -2.398 1.00 0.00 O ATOM 288 CB THR A 19 -16.419 -38.160 -4.375 1.00 0.00 C ATOM 289 OG1 THR A 19 -15.013 -38.353 -4.318 1.00 0.00 O ATOM 290 CG2 THR A 19 -16.885 -37.441 -3.104 1.00 0.00 C ATOM 0 H THR A 19 -18.248 -38.584 -6.005 1.00 0.00 H new ATOM 0 HA THR A 19 -16.350 -40.285 -4.679 1.00 0.00 H new ATOM 0 HB THR A 19 -16.678 -37.547 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.567 -37.485 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.382 -36.477 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.963 -37.286 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.641 -38.048 -2.232 1.00 0.00 H new ATOM 298 N PHE A 20 -19.055 -39.329 -3.108 1.00 0.00 N ATOM 299 CA PHE A 20 -19.897 -39.586 -1.944 1.00 0.00 C ATOM 300 C PHE A 20 -19.903 -41.073 -1.631 1.00 0.00 C ATOM 301 O PHE A 20 -19.431 -41.507 -0.580 1.00 0.00 O ATOM 302 CB PHE A 20 -21.324 -39.137 -2.250 1.00 0.00 C ATOM 303 CG PHE A 20 -22.130 -39.069 -0.980 1.00 0.00 C ATOM 304 CD1 PHE A 20 -22.155 -37.889 -0.230 1.00 0.00 C ATOM 305 CD2 PHE A 20 -22.862 -40.185 -0.560 1.00 0.00 C ATOM 306 CE1 PHE A 20 -22.913 -37.826 0.944 1.00 0.00 C ATOM 307 CE2 PHE A 20 -23.620 -40.121 0.612 1.00 0.00 C ATOM 308 CZ PHE A 20 -23.645 -38.942 1.364 1.00 0.00 C ATOM 0 H PHE A 20 -19.468 -38.700 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 20 -19.506 -39.036 -1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -21.310 -38.160 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -21.790 -39.832 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -21.590 -37.028 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -22.841 -41.095 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -22.933 -36.916 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -24.186 -40.981 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 20 -24.230 -38.893 2.270 1.00 0.00 H new ATOM 318 N LEU A 21 -20.429 -41.844 -2.570 1.00 0.00 N ATOM 319 CA LEU A 21 -20.491 -43.289 -2.422 1.00 0.00 C ATOM 320 C LEU A 21 -19.088 -43.829 -2.168 1.00 0.00 C ATOM 321 O LEU A 21 -18.878 -44.645 -1.270 1.00 0.00 O ATOM 322 CB LEU A 21 -21.083 -43.915 -3.692 1.00 0.00 C ATOM 323 CG LEU A 21 -22.410 -43.226 -4.029 1.00 0.00 C ATOM 324 CD1 LEU A 21 -22.902 -43.695 -5.400 1.00 0.00 C ATOM 325 CD2 LEU A 21 -23.453 -43.581 -2.966 1.00 0.00 C ATOM 0 H LEU A 21 -20.820 -41.492 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 21 -21.130 -43.546 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -20.385 -43.809 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -21.243 -44.983 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 21 -22.260 -42.147 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -23.846 -43.203 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -22.161 -43.442 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -23.050 -44.775 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.397 -43.091 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -23.599 -44.661 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.106 -43.244 -1.989 1.00 0.00 H new ATOM 337 N ASN A 22 -18.122 -43.344 -2.946 1.00 0.00 N ATOM 338 CA ASN A 22 -16.739 -43.768 -2.772 1.00 0.00 C ATOM 339 C ASN A 22 -16.364 -43.680 -1.300 1.00 0.00 C ATOM 340 O ASN A 22 -15.746 -44.587 -0.738 1.00 0.00 O ATOM 341 CB ASN A 22 -15.806 -42.879 -3.598 1.00 0.00 C ATOM 342 CG ASN A 22 -14.574 -43.671 -4.019 1.00 0.00 C ATOM 343 OD1 ASN A 22 -13.779 -44.081 -3.175 1.00 0.00 O ATOM 344 ND2 ASN A 22 -14.368 -43.912 -5.285 1.00 0.00 N ATOM 0 H ASN A 22 -18.271 -42.666 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.636 -44.798 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.329 -42.508 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.507 -42.008 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.546 -44.441 -5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.029 -43.571 -5.983 1.00 0.00 H new ATOM 351 N GLN A 23 -16.762 -42.587 -0.665 1.00 0.00 N ATOM 352 CA GLN A 23 -16.480 -42.421 0.746 1.00 0.00 C ATOM 353 C GLN A 23 -17.146 -43.551 1.513 1.00 0.00 C ATOM 354 O GLN A 23 -16.489 -44.290 2.233 1.00 0.00 O ATOM 355 CB GLN A 23 -16.998 -41.067 1.244 1.00 0.00 C ATOM 356 CG GLN A 23 -16.417 -39.934 0.390 1.00 0.00 C ATOM 357 CD GLN A 23 -15.052 -40.330 -0.167 1.00 0.00 C ATOM 358 OE1 GLN A 23 -14.886 -40.456 -1.381 1.00 0.00 O ATOM 359 NE2 GLN A 23 -14.058 -40.537 0.653 1.00 0.00 N ATOM 0 H GLN A 23 -17.272 -41.817 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.402 -42.449 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -18.087 -41.046 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.721 -40.925 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.098 -39.703 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.323 -39.029 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.196 -40.433 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.143 -40.803 0.289 1.00 0.00 H new ATOM 368 N LEU A 24 -18.452 -43.695 1.337 1.00 0.00 N ATOM 369 CA LEU A 24 -19.191 -44.749 2.015 1.00 0.00 C ATOM 370 C LEU A 24 -18.427 -46.069 1.957 1.00 0.00 C ATOM 371 O LEU A 24 -18.671 -46.968 2.753 1.00 0.00 O ATOM 372 CB LEU A 24 -20.551 -44.929 1.347 1.00 0.00 C ATOM 373 CG LEU A 24 -21.625 -44.074 2.036 1.00 0.00 C ATOM 374 CD1 LEU A 24 -22.031 -42.927 1.107 1.00 0.00 C ATOM 375 CD2 LEU A 24 -22.850 -44.947 2.330 1.00 0.00 C ATOM 0 H LEU A 24 -19.019 -43.099 0.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -19.321 -44.463 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -20.482 -44.653 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -20.840 -45.979 1.382 1.00 0.00 H new ATOM 0 HG LEU A 24 -21.231 -43.667 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -22.793 -42.318 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -21.159 -42.311 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -22.430 -43.335 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -23.616 -44.346 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -23.244 -45.347 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -22.562 -45.770 2.984 1.00 0.00 H new ATOM 387 N ARG A 25 -17.489 -46.180 1.028 1.00 0.00 N ATOM 388 CA ARG A 25 -16.696 -47.397 0.930 1.00 0.00 C ATOM 389 C ARG A 25 -15.525 -47.291 1.898 1.00 0.00 C ATOM 390 O ARG A 25 -14.969 -48.290 2.352 1.00 0.00 O ATOM 391 CB ARG A 25 -16.204 -47.602 -0.513 1.00 0.00 C ATOM 392 CG ARG A 25 -14.760 -48.118 -0.516 1.00 0.00 C ATOM 393 CD ARG A 25 -14.307 -48.367 -1.955 1.00 0.00 C ATOM 394 NE ARG A 25 -15.398 -48.938 -2.736 1.00 0.00 N ATOM 395 CZ ARG A 25 -15.181 -49.910 -3.618 1.00 0.00 C ATOM 396 NH1 ARG A 25 -13.974 -50.369 -3.807 1.00 0.00 N ATOM 397 NH2 ARG A 25 -16.178 -50.404 -4.299 1.00 0.00 N ATOM 0 H ARG A 25 -17.261 -45.459 0.344 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.305 -48.262 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.852 -48.312 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.262 -46.662 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.103 -47.392 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.691 -49.039 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.978 -47.431 -2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.452 -49.043 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.346 -48.585 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.193 -49.982 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.812 -51.114 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -17.122 -50.045 -4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.014 -51.149 -4.976 1.00 0.00 H new ATOM 411 N GLU A 26 -15.162 -46.050 2.187 1.00 0.00 N ATOM 412 CA GLU A 26 -14.051 -45.746 3.090 1.00 0.00 C ATOM 413 C GLU A 26 -14.468 -45.684 4.575 1.00 0.00 C ATOM 414 O GLU A 26 -13.901 -46.393 5.406 1.00 0.00 O ATOM 415 CB GLU A 26 -13.436 -44.403 2.688 1.00 0.00 C ATOM 416 CG GLU A 26 -11.989 -44.334 3.173 1.00 0.00 C ATOM 417 CD GLU A 26 -11.447 -42.919 2.996 1.00 0.00 C ATOM 418 OE1 GLU A 26 -10.937 -42.630 1.926 1.00 0.00 O ATOM 419 OE2 GLU A 26 -11.551 -42.145 3.933 1.00 0.00 O ATOM 0 H GLU A 26 -15.625 -45.225 1.806 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.332 -46.560 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.473 -44.285 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.013 -43.584 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.934 -44.625 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.375 -45.040 2.614 1.00 0.00 H new ATOM 426 N ILE A 27 -15.420 -44.803 4.912 1.00 0.00 N ATOM 427 CA ILE A 27 -15.844 -44.636 6.317 1.00 0.00 C ATOM 428 C ILE A 27 -16.252 -45.954 6.964 1.00 0.00 C ATOM 429 O ILE A 27 -15.661 -46.371 7.961 1.00 0.00 O ATOM 430 CB ILE A 27 -17.028 -43.662 6.419 1.00 0.00 C ATOM 431 CG1 ILE A 27 -16.763 -42.433 5.557 1.00 0.00 C ATOM 432 CG2 ILE A 27 -17.215 -43.219 7.868 1.00 0.00 C ATOM 433 CD1 ILE A 27 -17.063 -42.767 4.103 1.00 0.00 C ATOM 0 H ILE A 27 -15.907 -44.202 4.247 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.978 -44.239 6.847 1.00 0.00 H new ATOM 0 HB ILE A 27 -17.928 -44.169 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.385 -41.601 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -15.725 -42.116 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -18.056 -42.529 7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.413 -44.090 8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.310 -42.721 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.875 -41.891 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.422 -43.586 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.107 -43.063 4.006 1.00 0.00 H new ATOM 445 N THR A 28 -17.270 -46.602 6.412 1.00 0.00 N ATOM 446 CA THR A 28 -17.741 -47.861 6.975 1.00 0.00 C ATOM 447 C THR A 28 -16.981 -49.038 6.372 1.00 0.00 C ATOM 448 O THR A 28 -17.186 -50.186 6.764 1.00 0.00 O ATOM 449 CB THR A 28 -19.252 -48.025 6.745 1.00 0.00 C ATOM 450 OG1 THR A 28 -19.535 -49.372 6.397 1.00 0.00 O ATOM 451 CG2 THR A 28 -19.718 -47.093 5.623 1.00 0.00 C ATOM 0 H THR A 28 -17.779 -46.283 5.588 1.00 0.00 H new ATOM 0 HA THR A 28 -17.555 -47.844 8.049 1.00 0.00 H new ATOM 0 HB THR A 28 -19.782 -47.767 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.875 -49.964 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 28 -20.790 -47.217 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 28 -19.509 -46.059 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.188 -47.338 4.703 1.00 0.00 H new ATOM 459 N GLY A 29 -16.096 -48.745 5.422 1.00 0.00 N ATOM 460 CA GLY A 29 -15.310 -49.795 4.782 1.00 0.00 C ATOM 461 C GLY A 29 -16.186 -50.625 3.854 1.00 0.00 C ATOM 462 O GLY A 29 -15.982 -51.829 3.703 1.00 0.00 O ATOM 0 H GLY A 29 -15.907 -47.802 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.490 -49.351 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.863 -50.437 5.541 1.00 0.00 H new ATOM 466 N ILE A 30 -17.175 -49.976 3.250 1.00 0.00 N ATOM 467 CA ILE A 30 -18.094 -50.672 2.354 1.00 0.00 C ATOM 468 C ILE A 30 -17.502 -50.840 0.956 1.00 0.00 C ATOM 469 O ILE A 30 -16.544 -50.165 0.585 1.00 0.00 O ATOM 470 CB ILE A 30 -19.408 -49.903 2.275 1.00 0.00 C ATOM 471 CG1 ILE A 30 -19.917 -49.632 3.691 1.00 0.00 C ATOM 472 CG2 ILE A 30 -20.443 -50.716 1.499 1.00 0.00 C ATOM 473 CD1 ILE A 30 -20.287 -50.950 4.383 1.00 0.00 C ATOM 0 H ILE A 30 -17.361 -48.979 3.362 1.00 0.00 H new ATOM 0 HA ILE A 30 -18.271 -51.669 2.758 1.00 0.00 H new ATOM 0 HB ILE A 30 -19.245 -48.958 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -19.151 -49.113 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -20.787 -48.976 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -21.379 -50.159 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -20.076 -50.904 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -20.614 -51.666 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -20.648 -50.743 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -21.069 -51.453 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -19.408 -51.592 4.437 1.00 0.00 H new ATOM 485 N ASN A 31 -18.082 -51.761 0.190 1.00 0.00 N ATOM 486 CA ASN A 31 -17.614 -52.028 -1.165 1.00 0.00 C ATOM 487 C ASN A 31 -18.763 -52.528 -2.040 1.00 0.00 C ATOM 488 O ASN A 31 -18.562 -53.349 -2.936 1.00 0.00 O ATOM 489 CB ASN A 31 -16.498 -53.074 -1.129 1.00 0.00 C ATOM 490 CG ASN A 31 -15.269 -52.554 -1.868 1.00 0.00 C ATOM 491 OD1 ASN A 31 -15.077 -52.858 -3.046 1.00 0.00 O ATOM 492 ND2 ASN A 31 -14.420 -51.786 -1.242 1.00 0.00 N ATOM 0 H ASN A 31 -18.874 -52.332 0.484 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.230 -51.101 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.240 -53.306 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.843 -54.001 -1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.595 -51.436 -1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.582 -51.536 -0.266 1.00 0.00 H new ATOM 499 N ASP A 32 -19.966 -52.025 -1.776 1.00 0.00 N ATOM 500 CA ASP A 32 -21.144 -52.421 -2.542 1.00 0.00 C ATOM 501 C ASP A 32 -21.644 -51.253 -3.387 1.00 0.00 C ATOM 502 O ASP A 32 -21.595 -50.100 -2.959 1.00 0.00 O ATOM 503 CB ASP A 32 -22.252 -52.880 -1.596 1.00 0.00 C ATOM 504 CG ASP A 32 -21.723 -53.960 -0.657 1.00 0.00 C ATOM 505 OD1 ASP A 32 -21.468 -55.055 -1.131 1.00 0.00 O ATOM 506 OD2 ASP A 32 -21.583 -53.675 0.521 1.00 0.00 O ATOM 0 H ASP A 32 -20.150 -51.344 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 32 -20.869 -53.244 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -22.622 -52.033 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.094 -53.266 -2.170 1.00 0.00 H new ATOM 511 N THR A 33 -22.114 -51.559 -4.591 1.00 0.00 N ATOM 512 CA THR A 33 -22.609 -50.528 -5.498 1.00 0.00 C ATOM 513 C THR A 33 -24.059 -50.153 -5.189 1.00 0.00 C ATOM 514 O THR A 33 -24.437 -48.985 -5.281 1.00 0.00 O ATOM 515 CB THR A 33 -22.511 -51.026 -6.943 1.00 0.00 C ATOM 516 OG1 THR A 33 -21.196 -50.795 -7.430 1.00 0.00 O ATOM 517 CG2 THR A 33 -23.518 -50.278 -7.817 1.00 0.00 C ATOM 0 H THR A 33 -22.163 -52.508 -4.961 1.00 0.00 H new ATOM 0 HA THR A 33 -21.993 -49.639 -5.362 1.00 0.00 H new ATOM 0 HB THR A 33 -22.732 -52.093 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 -21.129 -51.114 -8.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 -23.445 -50.636 -8.844 1.00 0.00 H new ATOM 0 HG22 THR A 33 -24.526 -50.454 -7.443 1.00 0.00 H new ATOM 0 HG23 THR A 33 -23.302 -49.210 -7.788 1.00 0.00 H new ATOM 525 N GLN A 34 -24.872 -51.148 -4.856 1.00 0.00 N ATOM 526 CA GLN A 34 -26.284 -50.907 -4.572 1.00 0.00 C ATOM 527 C GLN A 34 -26.505 -50.346 -3.168 1.00 0.00 C ATOM 528 O GLN A 34 -27.187 -49.335 -2.997 1.00 0.00 O ATOM 529 CB GLN A 34 -27.069 -52.212 -4.723 1.00 0.00 C ATOM 530 CG GLN A 34 -26.996 -52.692 -6.175 1.00 0.00 C ATOM 531 CD GLN A 34 -27.572 -51.631 -7.106 1.00 0.00 C ATOM 532 OE1 GLN A 34 -28.510 -50.924 -6.738 1.00 0.00 O ATOM 533 NE2 GLN A 34 -27.062 -51.476 -8.296 1.00 0.00 N ATOM 0 H GLN A 34 -24.582 -52.123 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 34 -26.637 -50.164 -5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -26.661 -52.972 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -28.108 -52.058 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -25.961 -52.901 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -27.550 -53.624 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -26.285 -52.063 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -27.440 -50.767 -8.925 1.00 0.00 H new ATOM 542 N ILE A 35 -25.953 -51.018 -2.166 1.00 0.00 N ATOM 543 CA ILE A 35 -26.125 -50.586 -0.780 1.00 0.00 C ATOM 544 C ILE A 35 -25.642 -49.152 -0.569 1.00 0.00 C ATOM 545 O ILE A 35 -26.089 -48.474 0.355 1.00 0.00 O ATOM 546 CB ILE A 35 -25.365 -51.520 0.166 1.00 0.00 C ATOM 547 CG1 ILE A 35 -25.607 -52.981 -0.235 1.00 0.00 C ATOM 548 CG2 ILE A 35 -25.847 -51.300 1.601 1.00 0.00 C ATOM 549 CD1 ILE A 35 -27.035 -53.394 0.133 1.00 0.00 C ATOM 0 H ILE A 35 -25.386 -51.858 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 35 -27.192 -50.624 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 35 -24.299 -51.302 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -25.448 -53.104 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -24.890 -53.629 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -25.305 -51.966 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -25.666 -50.265 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -26.914 -51.512 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -27.199 -54.432 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -27.179 -53.289 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -27.745 -52.755 -0.392 1.00 0.00 H new ATOM 561 N LEU A 36 -24.720 -48.695 -1.409 1.00 0.00 N ATOM 562 CA LEU A 36 -24.191 -47.342 -1.267 1.00 0.00 C ATOM 563 C LEU A 36 -25.096 -46.314 -1.939 1.00 0.00 C ATOM 564 O LEU A 36 -25.131 -45.151 -1.537 1.00 0.00 O ATOM 565 CB LEU A 36 -22.782 -47.263 -1.856 1.00 0.00 C ATOM 566 CG LEU A 36 -21.800 -46.885 -0.749 1.00 0.00 C ATOM 567 CD1 LEU A 36 -21.924 -47.882 0.404 1.00 0.00 C ATOM 568 CD2 LEU A 36 -20.365 -46.911 -1.285 1.00 0.00 C ATOM 0 H LEU A 36 -24.328 -49.231 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 36 -24.152 -47.110 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -22.503 -48.221 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -22.750 -46.524 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 36 -22.033 -45.880 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.223 -47.613 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -22.941 -47.859 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.697 -48.885 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.674 -46.640 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.129 -47.912 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.270 -46.199 -2.105 1.00 0.00 H new ATOM 580 N GLN A 37 -25.837 -46.746 -2.949 1.00 0.00 N ATOM 581 CA GLN A 37 -26.748 -45.846 -3.647 1.00 0.00 C ATOM 582 C GLN A 37 -28.040 -45.724 -2.855 1.00 0.00 C ATOM 583 O GLN A 37 -28.819 -44.785 -3.038 1.00 0.00 O ATOM 584 CB GLN A 37 -27.048 -46.379 -5.049 1.00 0.00 C ATOM 585 CG GLN A 37 -26.240 -45.587 -6.080 1.00 0.00 C ATOM 586 CD GLN A 37 -26.866 -44.213 -6.286 1.00 0.00 C ATOM 587 OE1 GLN A 37 -26.332 -43.209 -5.813 1.00 0.00 O ATOM 588 NE2 GLN A 37 -27.974 -44.107 -6.968 1.00 0.00 N ATOM 0 H GLN A 37 -25.828 -47.703 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 37 -26.281 -44.865 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -26.796 -47.438 -5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -28.113 -46.293 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -25.209 -45.480 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -26.211 -46.128 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -28.414 -44.940 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -28.400 -43.191 -7.110 1.00 0.00 H new ATOM 597 N GLN A 38 -28.246 -46.685 -1.967 1.00 0.00 N ATOM 598 CA GLN A 38 -29.435 -46.707 -1.129 1.00 0.00 C ATOM 599 C GLN A 38 -29.229 -45.848 0.113 1.00 0.00 C ATOM 600 O GLN A 38 -30.171 -45.245 0.626 1.00 0.00 O ATOM 601 CB GLN A 38 -29.742 -48.143 -0.713 1.00 0.00 C ATOM 602 CG GLN A 38 -31.240 -48.292 -0.452 1.00 0.00 C ATOM 603 CD GLN A 38 -31.574 -49.751 -0.169 1.00 0.00 C ATOM 604 OE1 GLN A 38 -32.741 -50.142 -0.204 1.00 0.00 O ATOM 605 NE2 GLN A 38 -30.610 -50.587 0.110 1.00 0.00 N ATOM 0 H GLN A 38 -27.604 -47.461 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 38 -30.272 -46.304 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -29.429 -48.834 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -29.179 -48.401 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -31.534 -47.672 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -31.805 -47.941 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -29.644 -50.261 0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -30.823 -51.566 0.299 1.00 0.00 H new ATOM 614 N ALA A 39 -27.987 -45.794 0.590 1.00 0.00 N ATOM 615 CA ALA A 39 -27.671 -45.002 1.769 1.00 0.00 C ATOM 616 C ALA A 39 -27.673 -43.520 1.415 1.00 0.00 C ATOM 617 O ALA A 39 -28.318 -42.713 2.084 1.00 0.00 O ATOM 618 CB ALA A 39 -26.301 -45.410 2.318 1.00 0.00 C ATOM 0 H ALA A 39 -27.192 -46.285 0.181 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.427 -45.183 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -26.070 -44.813 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -26.317 -46.466 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -25.539 -45.241 1.557 1.00 0.00 H new ATOM 624 N LEU A 40 -26.959 -43.173 0.350 1.00 0.00 N ATOM 625 CA LEU A 40 -26.895 -41.789 -0.099 1.00 0.00 C ATOM 626 C LEU A 40 -28.299 -41.278 -0.398 1.00 0.00 C ATOM 627 O LEU A 40 -28.644 -40.146 -0.057 1.00 0.00 O ATOM 628 CB LEU A 40 -26.012 -41.691 -1.350 1.00 0.00 C ATOM 629 CG LEU A 40 -26.427 -40.493 -2.211 1.00 0.00 C ATOM 630 CD1 LEU A 40 -26.320 -39.206 -1.389 1.00 0.00 C ATOM 631 CD2 LEU A 40 -25.498 -40.400 -3.426 1.00 0.00 C ATOM 0 H LEU A 40 -26.419 -43.828 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 40 -26.459 -41.173 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -24.967 -41.590 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -26.093 -42.609 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 40 -27.457 -40.623 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -26.616 -38.356 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -26.977 -39.273 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -25.291 -39.072 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -25.789 -39.549 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -24.470 -40.269 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -25.574 -41.316 -4.013 1.00 0.00 H new ATOM 643 N LYS A 41 -29.108 -42.123 -1.030 1.00 0.00 N ATOM 644 CA LYS A 41 -30.477 -41.748 -1.358 1.00 0.00 C ATOM 645 C LYS A 41 -31.264 -41.466 -0.084 1.00 0.00 C ATOM 646 O LYS A 41 -32.112 -40.575 -0.048 1.00 0.00 O ATOM 647 CB LYS A 41 -31.159 -42.876 -2.136 1.00 0.00 C ATOM 648 CG LYS A 41 -30.934 -42.675 -3.635 1.00 0.00 C ATOM 649 CD LYS A 41 -32.064 -41.819 -4.209 1.00 0.00 C ATOM 650 CE LYS A 41 -33.267 -42.710 -4.527 1.00 0.00 C ATOM 651 NZ LYS A 41 -34.471 -41.858 -4.738 1.00 0.00 N ATOM 0 H LYS A 41 -28.842 -43.063 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 41 -30.452 -40.848 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -30.758 -43.840 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -32.227 -42.889 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -29.973 -42.191 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -30.901 -43.640 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -32.349 -41.047 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -31.726 -41.310 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -33.068 -43.305 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -33.442 -43.410 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -35.290 -42.462 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -34.663 -41.309 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -34.301 -41.208 -5.532 1.00 0.00 H new ATOM 665 N ASP A 42 -30.977 -42.238 0.958 1.00 0.00 N ATOM 666 CA ASP A 42 -31.660 -42.077 2.236 1.00 0.00 C ATOM 667 C ASP A 42 -30.969 -41.023 3.102 1.00 0.00 C ATOM 668 O ASP A 42 -31.568 -40.483 4.032 1.00 0.00 O ATOM 669 CB ASP A 42 -31.685 -43.416 2.977 1.00 0.00 C ATOM 670 CG ASP A 42 -33.082 -43.683 3.526 1.00 0.00 C ATOM 671 OD1 ASP A 42 -33.738 -42.729 3.914 1.00 0.00 O ATOM 672 OD2 ASP A 42 -33.477 -44.837 3.548 1.00 0.00 O ATOM 0 H ASP A 42 -30.277 -42.980 0.943 1.00 0.00 H new ATOM 0 HA ASP A 42 -32.679 -41.743 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -31.391 -44.220 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -30.961 -43.403 3.792 1.00 0.00 H new ATOM 677 N SER A 43 -29.708 -40.739 2.798 1.00 0.00 N ATOM 678 CA SER A 43 -28.953 -39.751 3.564 1.00 0.00 C ATOM 679 C SER A 43 -29.252 -38.337 3.073 1.00 0.00 C ATOM 680 O SER A 43 -29.208 -37.382 3.849 1.00 0.00 O ATOM 681 CB SER A 43 -27.455 -40.028 3.444 1.00 0.00 C ATOM 682 OG SER A 43 -26.833 -38.948 2.757 1.00 0.00 O ATOM 0 H SER A 43 -29.190 -41.173 2.034 1.00 0.00 H new ATOM 0 HA SER A 43 -29.255 -39.828 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 43 -27.015 -40.147 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 43 -27.288 -40.961 2.906 1.00 0.00 H new ATOM 0 HG SER A 43 -25.859 -39.045 2.808 1.00 0.00 H new ATOM 688 N ASN A 44 -29.560 -38.209 1.787 1.00 0.00 N ATOM 689 CA ASN A 44 -29.870 -36.904 1.213 1.00 0.00 C ATOM 690 C ASN A 44 -28.609 -36.054 1.075 1.00 0.00 C ATOM 691 O ASN A 44 -28.657 -34.833 1.224 1.00 0.00 O ATOM 692 CB ASN A 44 -30.881 -36.177 2.099 1.00 0.00 C ATOM 693 CG ASN A 44 -31.692 -37.189 2.900 1.00 0.00 C ATOM 694 OD1 ASN A 44 -31.960 -36.978 4.083 1.00 0.00 O ATOM 695 ND2 ASN A 44 -32.101 -38.286 2.321 1.00 0.00 N ATOM 0 H ASN A 44 -29.602 -38.985 1.127 1.00 0.00 H new ATOM 0 HA ASN A 44 -30.294 -37.059 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.362 -35.497 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -31.546 -35.570 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -32.643 -38.970 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.878 -38.459 1.341 1.00 0.00 H new ATOM 702 N GLY A 45 -27.485 -36.703 0.788 1.00 0.00 N ATOM 703 CA GLY A 45 -26.223 -35.988 0.632 1.00 0.00 C ATOM 704 C GLY A 45 -25.463 -35.936 1.952 1.00 0.00 C ATOM 705 O GLY A 45 -24.388 -35.344 2.040 1.00 0.00 O ATOM 0 H GLY A 45 -27.422 -37.713 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.612 -36.480 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.415 -34.975 0.278 1.00 0.00 H new ATOM 709 N ASN A 46 -26.032 -36.565 2.973 1.00 0.00 N ATOM 710 CA ASN A 46 -25.406 -36.597 4.290 1.00 0.00 C ATOM 711 C ASN A 46 -24.623 -37.902 4.454 1.00 0.00 C ATOM 712 O ASN A 46 -25.161 -38.986 4.236 1.00 0.00 O ATOM 713 CB ASN A 46 -26.489 -36.467 5.361 1.00 0.00 C ATOM 714 CG ASN A 46 -27.012 -35.035 5.393 1.00 0.00 C ATOM 715 OD1 ASN A 46 -27.851 -34.697 6.228 1.00 0.00 O ATOM 716 ND2 ASN A 46 -26.564 -34.169 4.526 1.00 0.00 N ATOM 0 H ASN A 46 -26.923 -37.058 2.916 1.00 0.00 H new ATOM 0 HA ASN A 46 -24.708 -35.766 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -27.306 -37.158 5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -26.084 -36.738 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -26.909 -33.209 4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -25.869 -34.452 3.835 1.00 0.00 H new ATOM 723 N LEU A 47 -23.340 -37.792 4.801 1.00 0.00 N ATOM 724 CA LEU A 47 -22.488 -38.979 4.940 1.00 0.00 C ATOM 725 C LEU A 47 -22.714 -39.677 6.277 1.00 0.00 C ATOM 726 O LEU A 47 -23.184 -40.814 6.312 1.00 0.00 O ATOM 727 CB LEU A 47 -21.014 -38.570 4.813 1.00 0.00 C ATOM 728 CG LEU A 47 -20.179 -39.717 4.223 1.00 0.00 C ATOM 729 CD1 LEU A 47 -20.535 -41.040 4.905 1.00 0.00 C ATOM 730 CD2 LEU A 47 -20.443 -39.833 2.717 1.00 0.00 C ATOM 0 H LEU A 47 -22.870 -36.906 4.989 1.00 0.00 H new ATOM 0 HA LEU A 47 -22.751 -39.679 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -20.930 -37.689 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.622 -38.295 5.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.124 -39.502 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.935 -41.843 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.331 -40.965 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.592 -41.255 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.848 -40.648 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -21.501 -40.034 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.168 -38.899 2.226 1.00 0.00 H new ATOM 742 N GLU A 48 -22.396 -38.998 7.375 1.00 0.00 N ATOM 743 CA GLU A 48 -22.599 -39.592 8.688 1.00 0.00 C ATOM 744 C GLU A 48 -23.948 -40.279 8.701 1.00 0.00 C ATOM 745 O GLU A 48 -24.213 -41.170 9.506 1.00 0.00 O ATOM 746 CB GLU A 48 -22.561 -38.522 9.777 1.00 0.00 C ATOM 747 CG GLU A 48 -22.618 -39.198 11.146 1.00 0.00 C ATOM 748 CD GLU A 48 -22.861 -38.155 12.231 1.00 0.00 C ATOM 749 OE1 GLU A 48 -23.928 -37.564 12.228 1.00 0.00 O ATOM 750 OE2 GLU A 48 -21.976 -37.962 13.047 1.00 0.00 O ATOM 0 H GLU A 48 -22.005 -38.056 7.382 1.00 0.00 H new ATOM 0 HA GLU A 48 -21.803 -40.310 8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -21.651 -37.928 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.401 -37.837 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -23.414 -39.943 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -21.684 -39.726 11.340 1.00 0.00 H new ATOM 757 N LEU A 49 -24.792 -39.840 7.780 1.00 0.00 N ATOM 758 CA LEU A 49 -26.126 -40.381 7.639 1.00 0.00 C ATOM 759 C LEU A 49 -26.096 -41.579 6.709 1.00 0.00 C ATOM 760 O LEU A 49 -26.703 -42.605 6.992 1.00 0.00 O ATOM 761 CB LEU A 49 -27.047 -39.311 7.071 1.00 0.00 C ATOM 762 CG LEU A 49 -27.299 -38.247 8.139 1.00 0.00 C ATOM 763 CD1 LEU A 49 -28.208 -38.829 9.221 1.00 0.00 C ATOM 764 CD2 LEU A 49 -25.964 -37.821 8.768 1.00 0.00 C ATOM 0 H LEU A 49 -24.568 -39.101 7.114 1.00 0.00 H new ATOM 0 HA LEU A 49 -26.496 -40.696 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -26.596 -38.858 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.990 -39.756 6.755 1.00 0.00 H new ATOM 0 HG LEU A 49 -27.776 -37.379 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -28.392 -38.075 9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.155 -39.132 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -27.726 -39.695 9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -26.146 -37.062 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -25.485 -38.686 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -25.312 -37.411 7.996 1.00 0.00 H new ATOM 776 N ALA A 50 -25.370 -41.448 5.604 1.00 0.00 N ATOM 777 CA ALA A 50 -25.262 -42.546 4.661 1.00 0.00 C ATOM 778 C ALA A 50 -24.643 -43.743 5.367 1.00 0.00 C ATOM 779 O ALA A 50 -25.233 -44.820 5.402 1.00 0.00 O ATOM 780 CB ALA A 50 -24.407 -42.140 3.459 1.00 0.00 C ATOM 0 H ALA A 50 -24.857 -40.605 5.345 1.00 0.00 H new ATOM 0 HA ALA A 50 -26.255 -42.808 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -24.337 -42.976 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -24.866 -41.288 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -23.408 -41.867 3.799 1.00 0.00 H new ATOM 786 N VAL A 51 -23.465 -43.536 5.962 1.00 0.00 N ATOM 787 CA VAL A 51 -22.799 -44.605 6.700 1.00 0.00 C ATOM 788 C VAL A 51 -23.748 -45.151 7.742 1.00 0.00 C ATOM 789 O VAL A 51 -24.068 -46.338 7.770 1.00 0.00 O ATOM 790 CB VAL A 51 -21.560 -44.070 7.414 1.00 0.00 C ATOM 791 CG1 VAL A 51 -21.947 -42.909 8.327 1.00 0.00 C ATOM 792 CG2 VAL A 51 -20.941 -45.186 8.260 1.00 0.00 C ATOM 0 H VAL A 51 -22.961 -42.649 5.946 1.00 0.00 H new ATOM 0 HA VAL A 51 -22.505 -45.384 5.997 1.00 0.00 H new ATOM 0 HB VAL A 51 -20.841 -43.723 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -21.058 -42.532 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -22.392 -42.111 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -22.668 -43.254 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -20.056 -44.807 8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -21.667 -45.529 8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -20.659 -46.018 7.615 1.00 0.00 H new ATOM 802 N ALA A 52 -24.197 -44.248 8.592 1.00 0.00 N ATOM 803 CA ALA A 52 -25.119 -44.586 9.648 1.00 0.00 C ATOM 804 C ALA A 52 -26.289 -45.377 9.080 1.00 0.00 C ATOM 805 O ALA A 52 -26.724 -46.363 9.660 1.00 0.00 O ATOM 806 CB ALA A 52 -25.603 -43.286 10.289 1.00 0.00 C ATOM 0 H ALA A 52 -23.931 -43.264 8.567 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.630 -45.206 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.303 -43.515 11.092 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -24.751 -42.741 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.101 -42.673 9.538 1.00 0.00 H new ATOM 812 N PHE A 53 -26.781 -44.950 7.929 1.00 0.00 N ATOM 813 CA PHE A 53 -27.892 -45.639 7.291 1.00 0.00 C ATOM 814 C PHE A 53 -27.596 -47.129 7.160 1.00 0.00 C ATOM 815 O PHE A 53 -28.503 -47.958 7.234 1.00 0.00 O ATOM 816 CB PHE A 53 -28.161 -45.035 5.914 1.00 0.00 C ATOM 817 CG PHE A 53 -29.491 -44.314 5.931 1.00 0.00 C ATOM 818 CD1 PHE A 53 -30.683 -45.048 5.910 1.00 0.00 C ATOM 819 CD2 PHE A 53 -29.534 -42.915 5.979 1.00 0.00 C ATOM 820 CE1 PHE A 53 -31.916 -44.384 5.938 1.00 0.00 C ATOM 821 CE2 PHE A 53 -30.766 -42.251 6.005 1.00 0.00 C ATOM 822 CZ PHE A 53 -31.958 -42.985 5.986 1.00 0.00 C ATOM 0 H PHE A 53 -26.433 -44.137 7.420 1.00 0.00 H new ATOM 0 HA PHE A 53 -28.778 -45.516 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -27.363 -44.342 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -28.170 -45.819 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -30.652 -46.127 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -28.615 -42.348 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -32.835 -44.951 5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -30.797 -41.172 6.040 1.00 0.00 H new ATOM 0 HZ PHE A 53 -32.909 -42.473 6.008 1.00 0.00 H new ATOM 832 N LEU A 54 -26.323 -47.467 6.978 1.00 0.00 N ATOM 833 CA LEU A 54 -25.936 -48.868 6.853 1.00 0.00 C ATOM 834 C LEU A 54 -25.988 -49.550 8.215 1.00 0.00 C ATOM 835 O LEU A 54 -26.702 -50.535 8.401 1.00 0.00 O ATOM 836 CB LEU A 54 -24.521 -48.981 6.283 1.00 0.00 C ATOM 837 CG LEU A 54 -24.550 -48.661 4.781 1.00 0.00 C ATOM 838 CD1 LEU A 54 -24.745 -47.161 4.575 1.00 0.00 C ATOM 839 CD2 LEU A 54 -23.231 -49.087 4.131 1.00 0.00 C ATOM 0 H LEU A 54 -25.553 -46.802 6.915 1.00 0.00 H new ATOM 0 HA LEU A 54 -26.635 -49.358 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -23.853 -48.293 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -24.131 -49.986 6.445 1.00 0.00 H new ATOM 0 HG LEU A 54 -25.376 -49.205 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -24.765 -46.940 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -25.687 -46.851 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -23.923 -46.620 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -23.259 -48.857 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -22.405 -48.549 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -23.088 -50.159 4.267 1.00 0.00 H new ATOM 851 N THR A 55 -25.231 -49.011 9.166 1.00 0.00 N ATOM 852 CA THR A 55 -25.199 -49.569 10.513 1.00 0.00 C ATOM 853 C THR A 55 -26.449 -49.164 11.284 1.00 0.00 C ATOM 854 O THR A 55 -27.133 -50.002 11.868 1.00 0.00 O ATOM 855 CB THR A 55 -23.960 -49.064 11.253 1.00 0.00 C ATOM 856 OG1 THR A 55 -24.357 -48.149 12.266 1.00 0.00 O ATOM 857 CG2 THR A 55 -23.026 -48.360 10.267 1.00 0.00 C ATOM 0 H THR A 55 -24.635 -48.194 9.030 1.00 0.00 H new ATOM 0 HA THR A 55 -25.163 -50.656 10.439 1.00 0.00 H new ATOM 0 HB THR A 55 -23.438 -49.907 11.706 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.565 -47.825 12.743 1.00 0.00 H new ATOM 0 HG21 THR A 55 -22.143 -48.000 10.796 1.00 0.00 H new ATOM 0 HG22 THR A 55 -22.723 -49.061 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.546 -47.516 9.813 1.00 0.00 H new ATOM 1533 N ASP A 101 37.945 -6.497 -4.767 1.00 0.00 N ATOM 1534 CA ASP A 101 38.283 -5.754 -3.557 1.00 0.00 C ATOM 1535 C ASP A 101 39.642 -6.195 -3.024 1.00 0.00 C ATOM 1536 O ASP A 101 40.537 -5.372 -2.812 1.00 0.00 O ATOM 1537 CB ASP A 101 37.213 -5.981 -2.487 1.00 0.00 C ATOM 1538 CG ASP A 101 37.232 -4.838 -1.477 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.209 -4.728 -0.755 1.00 0.00 O ATOM 1540 OD2 ASP A 101 36.268 -4.092 -1.440 1.00 0.00 O ATOM 0 HA ASP A 101 38.327 -4.693 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.230 -6.049 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.391 -6.929 -1.979 1.00 0.00 H new ATOM 1545 N LEU A 102 39.796 -7.497 -2.809 1.00 0.00 N ATOM 1546 CA LEU A 102 41.056 -8.022 -2.304 1.00 0.00 C ATOM 1547 C LEU A 102 42.186 -7.643 -3.235 1.00 0.00 C ATOM 1548 O LEU A 102 43.223 -7.138 -2.805 1.00 0.00 O ATOM 1549 CB LEU A 102 40.983 -9.542 -2.157 1.00 0.00 C ATOM 1550 CG LEU A 102 42.308 -10.066 -1.593 1.00 0.00 C ATOM 1551 CD1 LEU A 102 42.075 -10.657 -0.202 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.863 -11.150 -2.519 1.00 0.00 C ATOM 0 H LEU A 102 39.074 -8.199 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 102 41.244 -7.588 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.161 -9.815 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.780 -10.002 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 102 43.021 -9.245 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 102 43.018 -11.029 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.680 -9.886 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.361 -11.478 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 102 43.806 -11.523 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 102 42.148 -11.970 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 102 43.031 -10.730 -3.511 1.00 0.00 H new ATOM 1564 N GLN A 103 41.966 -7.865 -4.514 1.00 0.00 N ATOM 1565 CA GLN A 103 42.964 -7.514 -5.508 1.00 0.00 C ATOM 1566 C GLN A 103 43.486 -6.129 -5.183 1.00 0.00 C ATOM 1567 O GLN A 103 44.567 -5.728 -5.617 1.00 0.00 O ATOM 1568 CB GLN A 103 42.336 -7.502 -6.894 1.00 0.00 C ATOM 1569 CG GLN A 103 43.410 -7.779 -7.948 1.00 0.00 C ATOM 1570 CD GLN A 103 42.756 -8.119 -9.282 1.00 0.00 C ATOM 1571 OE1 GLN A 103 41.764 -8.847 -9.321 1.00 0.00 O ATOM 1572 NE2 GLN A 103 43.256 -7.633 -10.386 1.00 0.00 N ATOM 0 H GLN A 103 41.114 -8.283 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 103 43.774 -8.243 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.550 -8.255 -6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.867 -6.536 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 103 44.054 -6.907 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 103 44.045 -8.604 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 103 44.078 -7.030 -10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 103 42.825 -7.856 -11.283 1.00 0.00 H new ATOM 1581 N ARG A 104 42.691 -5.411 -4.402 1.00 0.00 N ATOM 1582 CA ARG A 104 43.045 -4.062 -3.987 1.00 0.00 C ATOM 1583 C ARG A 104 43.977 -4.121 -2.787 1.00 0.00 C ATOM 1584 O ARG A 104 44.910 -3.327 -2.670 1.00 0.00 O ATOM 1585 CB ARG A 104 41.783 -3.279 -3.618 1.00 0.00 C ATOM 1586 CG ARG A 104 42.014 -1.790 -3.878 1.00 0.00 C ATOM 1587 CD ARG A 104 40.970 -0.973 -3.115 1.00 0.00 C ATOM 1588 NE ARG A 104 40.620 0.228 -3.864 1.00 0.00 N ATOM 1589 CZ ARG A 104 39.355 0.623 -3.991 1.00 0.00 C ATOM 1590 NH1 ARG A 104 38.393 -0.057 -3.430 1.00 0.00 N ATOM 1591 NH2 ARG A 104 39.076 1.697 -4.677 1.00 0.00 N ATOM 0 H ARG A 104 41.795 -5.741 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 104 43.549 -3.559 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.936 -3.635 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.534 -3.442 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 104 43.017 -1.506 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.946 -1.581 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.078 -1.577 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 104 41.359 -0.698 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 104 41.360 0.777 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 104 38.608 -0.896 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 104 37.426 0.250 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 104 39.826 2.232 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 104 38.108 2.002 -4.776 1.00 0.00 H new ATOM 1605 N ALA A 105 43.715 -5.073 -1.900 1.00 0.00 N ATOM 1606 CA ALA A 105 44.537 -5.238 -0.707 1.00 0.00 C ATOM 1607 C ALA A 105 45.982 -5.549 -1.086 1.00 0.00 C ATOM 1608 O ALA A 105 46.908 -4.861 -0.655 1.00 0.00 O ATOM 1609 CB ALA A 105 43.981 -6.369 0.159 1.00 0.00 C ATOM 0 H ALA A 105 42.946 -5.738 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 105 44.515 -4.305 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.601 -6.485 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.960 -6.131 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 105 43.985 -7.299 -0.410 1.00 0.00 H new ATOM 1615 N ILE A 106 46.170 -6.592 -1.891 1.00 0.00 N ATOM 1616 CA ILE A 106 47.513 -6.983 -2.316 1.00 0.00 C ATOM 1617 C ILE A 106 48.131 -5.907 -3.188 1.00 0.00 C ATOM 1618 O ILE A 106 49.333 -5.646 -3.129 1.00 0.00 O ATOM 1619 CB ILE A 106 47.475 -8.307 -3.088 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.190 -9.074 -2.758 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.683 -9.159 -2.697 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.132 -9.367 -1.257 1.00 0.00 C ATOM 0 H ILE A 106 45.419 -7.176 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 106 48.122 -7.112 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 106 47.501 -8.094 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.320 -8.490 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.157 -10.007 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.657 -10.101 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.600 -8.623 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.654 -9.362 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.216 -9.912 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 106 46.994 -9.969 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.144 -8.429 -0.702 1.00 0.00 H new ATOM 1634 N ALA A 107 47.293 -5.293 -3.991 1.00 0.00 N ATOM 1635 CA ALA A 107 47.733 -4.237 -4.888 1.00 0.00 C ATOM 1636 C ALA A 107 48.217 -3.031 -4.093 1.00 0.00 C ATOM 1637 O ALA A 107 49.222 -2.409 -4.436 1.00 0.00 O ATOM 1638 CB ALA A 107 46.587 -3.817 -5.808 1.00 0.00 C ATOM 0 H ALA A 107 46.297 -5.505 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 107 48.557 -4.619 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.928 -3.026 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.261 -4.674 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.754 -3.452 -5.208 1.00 0.00 H new ATOM 1644 N LEU A 108 47.493 -2.707 -3.025 1.00 0.00 N ATOM 1645 CA LEU A 108 47.857 -1.574 -2.183 1.00 0.00 C ATOM 1646 C LEU A 108 49.267 -1.752 -1.633 1.00 0.00 C ATOM 1647 O LEU A 108 50.075 -0.824 -1.658 1.00 0.00 O ATOM 1648 CB LEU A 108 46.869 -1.446 -1.023 1.00 0.00 C ATOM 1649 CG LEU A 108 46.787 0.018 -0.586 1.00 0.00 C ATOM 1650 CD1 LEU A 108 45.943 0.814 -1.586 1.00 0.00 C ATOM 1651 CD2 LEU A 108 46.147 0.100 0.803 1.00 0.00 C ATOM 0 H LEU A 108 46.657 -3.209 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 108 47.824 -0.668 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.885 -1.802 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.189 -2.069 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 108 47.792 0.439 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 108 45.889 1.855 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 108 46.401 0.759 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 108 44.938 0.395 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.088 1.143 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.144 -0.325 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.753 -0.459 1.516 1.00 0.00 H new ATOM 1663 N SER A 109 49.556 -2.951 -1.136 1.00 0.00 N ATOM 1664 CA SER A 109 50.874 -3.236 -0.584 1.00 0.00 C ATOM 1665 C SER A 109 51.922 -3.206 -1.682 1.00 0.00 C ATOM 1666 O SER A 109 52.891 -2.449 -1.607 1.00 0.00 O ATOM 1667 CB SER A 109 50.874 -4.604 0.100 1.00 0.00 C ATOM 1668 OG SER A 109 49.591 -4.848 0.661 1.00 0.00 O ATOM 0 H SER A 109 48.902 -3.733 -1.104 1.00 0.00 H new ATOM 0 HA SER A 109 51.115 -2.471 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 109 51.123 -5.384 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.636 -4.634 0.879 1.00 0.00 H new ATOM 0 HG SER A 109 49.587 -5.725 1.099 1.00 0.00 H new ATOM 1674 N LEU A 110 51.715 -4.010 -2.714 1.00 0.00 N ATOM 1675 CA LEU A 110 52.643 -4.036 -3.828 1.00 0.00 C ATOM 1676 C LEU A 110 52.940 -2.607 -4.249 1.00 0.00 C ATOM 1677 O LEU A 110 53.922 -2.333 -4.939 1.00 0.00 O ATOM 1678 CB LEU A 110 52.024 -4.790 -5.000 1.00 0.00 C ATOM 1679 CG LEU A 110 53.110 -5.130 -6.024 1.00 0.00 C ATOM 1680 CD1 LEU A 110 54.061 -6.175 -5.436 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.459 -5.691 -7.290 1.00 0.00 C ATOM 0 H LEU A 110 50.922 -4.645 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 110 53.563 -4.538 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 110 51.545 -5.703 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.248 -4.183 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 110 53.670 -4.228 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 110 54.833 -6.416 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 110 54.526 -5.777 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 110 53.502 -7.077 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.232 -5.933 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 110 51.898 -6.592 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 110 51.782 -4.947 -7.711 1.00 0.00 H new ATOM 1693 N ALA A 111 52.067 -1.705 -3.819 1.00 0.00 N ATOM 1694 CA ALA A 111 52.217 -0.290 -4.142 1.00 0.00 C ATOM 1695 C ALA A 111 53.307 0.342 -3.287 1.00 0.00 C ATOM 1696 O ALA A 111 54.286 0.876 -3.810 1.00 0.00 O ATOM 1697 CB ALA A 111 50.897 0.442 -3.906 1.00 0.00 C ATOM 0 H ALA A 111 51.251 -1.925 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 111 52.498 -0.205 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.018 1.498 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.123 0.010 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.607 0.342 -2.860 1.00 0.00 H new ATOM 1703 N GLU A 112 53.140 0.270 -1.971 1.00 0.00 N ATOM 1704 CA GLU A 112 54.131 0.834 -1.064 1.00 0.00 C ATOM 1705 C GLU A 112 55.518 0.342 -1.455 1.00 0.00 C ATOM 1706 O GLU A 112 56.530 0.962 -1.124 1.00 0.00 O ATOM 1707 CB GLU A 112 53.821 0.425 0.378 1.00 0.00 C ATOM 1708 CG GLU A 112 54.761 1.163 1.333 1.00 0.00 C ATOM 1709 CD GLU A 112 54.222 1.088 2.756 1.00 0.00 C ATOM 1710 OE1 GLU A 112 53.072 0.713 2.913 1.00 0.00 O ATOM 1711 OE2 GLU A 112 54.966 1.406 3.669 1.00 0.00 O ATOM 0 H GLU A 112 52.340 -0.167 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 112 54.100 1.921 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 112 52.784 0.660 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 112 53.940 -0.652 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 112 55.757 0.722 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 112 54.859 2.205 1.027 1.00 0.00 H new ATOM 1718 N SER A 113 55.550 -0.773 -2.178 1.00 0.00 N ATOM 1719 CA SER A 113 56.811 -1.344 -2.629 1.00 0.00 C ATOM 1720 C SER A 113 57.202 -0.740 -3.972 1.00 0.00 C ATOM 1721 O SER A 113 58.307 -0.224 -4.132 1.00 0.00 O ATOM 1722 CB SER A 113 56.683 -2.862 -2.760 1.00 0.00 C ATOM 1723 OG SER A 113 55.399 -3.266 -2.303 1.00 0.00 O ATOM 0 H SER A 113 54.721 -1.296 -2.462 1.00 0.00 H new ATOM 0 HA SER A 113 57.584 -1.116 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.823 -3.162 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 113 57.461 -3.356 -2.178 1.00 0.00 H new ATOM 0 HG SER A 113 55.368 -4.243 -2.236 1.00 0.00 H new ATOM 1902 N GLU A 125 78.232 10.773 -9.908 1.00 0.00 N ATOM 1903 CA GLU A 125 79.492 11.027 -10.596 1.00 0.00 C ATOM 1904 C GLU A 125 79.838 12.513 -10.569 1.00 0.00 C ATOM 1905 O GLU A 125 81.003 12.885 -10.429 1.00 0.00 O ATOM 1906 CB GLU A 125 79.396 10.551 -12.046 1.00 0.00 C ATOM 1907 CG GLU A 125 80.140 9.222 -12.198 1.00 0.00 C ATOM 1908 CD GLU A 125 81.645 9.468 -12.216 1.00 0.00 C ATOM 1909 OE1 GLU A 125 82.133 9.955 -13.223 1.00 0.00 O ATOM 1910 OE2 GLU A 125 82.288 9.169 -11.223 1.00 0.00 O ATOM 0 HA GLU A 125 80.280 10.478 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 125 78.351 10.430 -12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 125 79.824 11.298 -12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 125 79.882 8.555 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 125 79.833 8.727 -13.119 1.00 0.00 H new ATOM 1917 N GLU A 126 78.822 13.358 -10.708 1.00 0.00 N ATOM 1918 CA GLU A 126 79.039 14.801 -10.700 1.00 0.00 C ATOM 1919 C GLU A 126 79.388 15.291 -9.297 1.00 0.00 C ATOM 1920 O GLU A 126 80.188 16.212 -9.135 1.00 0.00 O ATOM 1921 CB GLU A 126 77.784 15.520 -11.198 1.00 0.00 C ATOM 1922 CG GLU A 126 77.294 14.856 -12.485 1.00 0.00 C ATOM 1923 CD GLU A 126 78.482 14.501 -13.372 1.00 0.00 C ATOM 1924 OE1 GLU A 126 79.201 15.409 -13.757 1.00 0.00 O ATOM 1925 OE2 GLU A 126 78.656 13.327 -13.654 1.00 0.00 O ATOM 0 H GLU A 126 77.850 13.073 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 126 79.875 15.024 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 126 77.004 15.483 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 126 78.002 16.572 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 126 76.726 13.957 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 126 76.620 15.528 -13.017 1.00 0.00 H new ATOM 1932 N GLN A 127 78.785 14.672 -8.287 1.00 0.00 N ATOM 1933 CA GLN A 127 79.045 15.062 -6.906 1.00 0.00 C ATOM 1934 C GLN A 127 80.334 14.422 -6.399 1.00 0.00 C ATOM 1935 O GLN A 127 81.072 15.025 -5.620 1.00 0.00 O ATOM 1936 CB GLN A 127 77.876 14.638 -6.014 1.00 0.00 C ATOM 1937 CG GLN A 127 77.721 15.637 -4.865 1.00 0.00 C ATOM 1938 CD GLN A 127 76.681 15.131 -3.871 1.00 0.00 C ATOM 1939 OE1 GLN A 127 76.558 15.671 -2.771 1.00 0.00 O ATOM 1940 NE2 GLN A 127 75.921 14.120 -4.193 1.00 0.00 N ATOM 0 H GLN A 127 78.120 13.906 -8.397 1.00 0.00 H new ATOM 0 HA GLN A 127 79.154 16.146 -6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 127 76.957 14.594 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 127 78.051 13.637 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 127 78.678 15.777 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 127 77.420 16.609 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 127 76.024 13.674 -5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 127 75.224 13.776 -3.533 1.00 0.00 H new ATOM 1949 N ALA A 128 80.596 13.198 -6.841 1.00 0.00 N ATOM 1950 CA ALA A 128 81.799 12.486 -6.421 1.00 0.00 C ATOM 1951 C ALA A 128 83.044 13.104 -7.050 1.00 0.00 C ATOM 1952 O ALA A 128 84.086 13.213 -6.404 1.00 0.00 O ATOM 1953 CB ALA A 128 81.701 11.013 -6.825 1.00 0.00 C ATOM 0 H ALA A 128 79.998 12.680 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 128 81.880 12.564 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 128 82.602 10.488 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 128 80.831 10.562 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 128 81.599 10.939 -7.908 1.00 0.00 H new ATOM 1959 N ILE A 129 82.931 13.505 -8.312 1.00 0.00 N ATOM 1960 CA ILE A 129 84.058 14.107 -9.015 1.00 0.00 C ATOM 1961 C ILE A 129 84.243 15.562 -8.597 1.00 0.00 C ATOM 1962 O ILE A 129 85.368 16.031 -8.427 1.00 0.00 O ATOM 1963 CB ILE A 129 83.828 14.039 -10.526 1.00 0.00 C ATOM 1964 CG1 ILE A 129 84.110 12.619 -11.024 1.00 0.00 C ATOM 1965 CG2 ILE A 129 84.766 15.021 -11.231 1.00 0.00 C ATOM 1966 CD1 ILE A 129 85.607 12.462 -11.296 1.00 0.00 C ATOM 0 H ILE A 129 82.078 13.425 -8.865 1.00 0.00 H new ATOM 0 HA ILE A 129 84.958 13.549 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 129 82.793 14.302 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 129 83.786 11.890 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 129 83.542 12.421 -11.933 1.00 0.00 H new ATOM 0 HG21 ILE A 129 84.602 14.972 -12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 129 84.565 16.033 -10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 129 85.801 14.759 -11.010 1.00 0.00 H new ATOM 0 HD11 ILE A 129 85.808 11.451 -11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 129 85.916 13.181 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 129 86.165 12.642 -10.377 1.00 0.00 H new ATOM 1978 N SER A 130 83.132 16.273 -8.439 1.00 0.00 N ATOM 1979 CA SER A 130 83.187 17.677 -8.047 1.00 0.00 C ATOM 1980 C SER A 130 83.560 17.814 -6.575 1.00 0.00 C ATOM 1981 O SER A 130 84.046 18.859 -6.143 1.00 0.00 O ATOM 1982 CB SER A 130 81.833 18.340 -8.295 1.00 0.00 C ATOM 1983 OG SER A 130 81.953 19.739 -8.081 1.00 0.00 O ATOM 0 H SER A 130 82.190 15.905 -8.575 1.00 0.00 H new ATOM 0 HA SER A 130 83.951 18.170 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 130 81.499 18.143 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 130 81.081 17.921 -7.626 1.00 0.00 H new ATOM 0 HG SER A 130 81.087 20.170 -8.240 1.00 0.00 H new ATOM 1989 N ARG A 131 83.330 16.754 -5.808 1.00 0.00 N ATOM 1990 CA ARG A 131 83.645 16.772 -4.385 1.00 0.00 C ATOM 1991 C ARG A 131 85.143 16.587 -4.165 1.00 0.00 C ATOM 1992 O ARG A 131 85.795 17.422 -3.538 1.00 0.00 O ATOM 1993 CB ARG A 131 82.879 15.660 -3.667 1.00 0.00 C ATOM 1994 CG ARG A 131 83.335 15.584 -2.208 1.00 0.00 C ATOM 1995 CD ARG A 131 82.257 14.898 -1.367 1.00 0.00 C ATOM 1996 NE ARG A 131 82.840 13.813 -0.586 1.00 0.00 N ATOM 1997 CZ ARG A 131 83.560 14.060 0.504 1.00 0.00 C ATOM 1998 NH1 ARG A 131 83.756 15.291 0.893 1.00 0.00 N ATOM 1999 NH2 ARG A 131 84.072 13.070 1.186 1.00 0.00 N ATOM 0 H ARG A 131 82.930 15.878 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 131 83.347 17.738 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 131 81.807 15.853 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 131 83.053 14.705 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 131 84.272 15.031 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 131 83.527 16.586 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 131 81.788 15.623 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 131 81.473 14.508 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 131 82.693 12.848 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 131 83.357 16.064 0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 131 84.308 15.480 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 131 83.919 12.108 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 131 84.625 13.259 2.022 1.00 0.00 H new ATOM 2013 N VAL A 132 85.682 15.488 -4.683 1.00 0.00 N ATOM 2014 CA VAL A 132 87.105 15.208 -4.535 1.00 0.00 C ATOM 2015 C VAL A 132 87.938 16.354 -5.096 1.00 0.00 C ATOM 2016 O VAL A 132 88.979 16.706 -4.542 1.00 0.00 O ATOM 2017 CB VAL A 132 87.466 13.909 -5.259 1.00 0.00 C ATOM 2018 CG1 VAL A 132 86.848 13.910 -6.659 1.00 0.00 C ATOM 2019 CG2 VAL A 132 88.988 13.801 -5.373 1.00 0.00 C ATOM 0 H VAL A 132 85.161 14.783 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 132 87.323 15.101 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 132 87.079 13.060 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 132 87.107 12.984 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 132 85.764 13.989 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 132 87.232 14.758 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 132 89.250 12.877 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 132 89.372 14.652 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 132 89.428 13.798 -4.376 1.00 0.00 H new ATOM 2029 N LEU A 133 87.473 16.936 -6.197 1.00 0.00 N ATOM 2030 CA LEU A 133 88.187 18.044 -6.819 1.00 0.00 C ATOM 2031 C LEU A 133 88.188 19.260 -5.900 1.00 0.00 C ATOM 2032 O LEU A 133 89.242 19.703 -5.445 1.00 0.00 O ATOM 2033 CB LEU A 133 87.533 18.411 -8.153 1.00 0.00 C ATOM 2034 CG LEU A 133 88.618 18.817 -9.152 1.00 0.00 C ATOM 2035 CD1 LEU A 133 89.060 17.592 -9.951 1.00 0.00 C ATOM 2036 CD2 LEU A 133 88.064 19.877 -10.107 1.00 0.00 C ATOM 0 H LEU A 133 86.613 16.662 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 133 89.216 17.732 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 133 86.966 17.564 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 133 86.827 19.230 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 133 89.472 19.226 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 133 89.833 17.881 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 133 89.457 16.838 -9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 133 88.206 17.182 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 133 88.838 20.166 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 133 87.209 19.470 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 133 87.750 20.752 -9.537 1.00 0.00 H new ATOM 2048 N GLU A 134 87.003 19.794 -5.628 1.00 0.00 N ATOM 2049 CA GLU A 134 86.886 20.957 -4.758 1.00 0.00 C ATOM 2050 C GLU A 134 87.744 20.777 -3.510 1.00 0.00 C ATOM 2051 O GLU A 134 88.532 21.653 -3.154 1.00 0.00 O ATOM 2052 CB GLU A 134 85.425 21.164 -4.354 1.00 0.00 C ATOM 2053 CG GLU A 134 85.179 22.646 -4.062 1.00 0.00 C ATOM 2054 CD GLU A 134 86.027 23.092 -2.876 1.00 0.00 C ATOM 2055 OE1 GLU A 134 85.553 22.978 -1.758 1.00 0.00 O ATOM 2056 OE2 GLU A 134 87.138 23.543 -3.103 1.00 0.00 O ATOM 0 H GLU A 134 86.117 19.444 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 134 87.236 21.834 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 134 84.765 20.826 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 134 85.192 20.566 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 134 85.424 23.244 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 134 84.123 22.812 -3.848 1.00 0.00 H new ATOM 2063 N ALA A 135 87.587 19.633 -2.850 1.00 0.00 N ATOM 2064 CA ALA A 135 88.355 19.347 -1.645 1.00 0.00 C ATOM 2065 C ALA A 135 89.848 19.521 -1.904 1.00 0.00 C ATOM 2066 O ALA A 135 90.570 20.082 -1.081 1.00 0.00 O ATOM 2067 CB ALA A 135 88.080 17.917 -1.179 1.00 0.00 C ATOM 0 H ALA A 135 86.940 18.895 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 135 88.050 20.048 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 135 88.658 17.711 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 135 87.018 17.803 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 135 88.368 17.217 -1.963 1.00 0.00 H new ATOM 2073 N SER A 136 90.305 19.036 -3.054 1.00 0.00 N ATOM 2074 CA SER A 136 91.716 19.144 -3.409 1.00 0.00 C ATOM 2075 C SER A 136 92.079 20.593 -3.716 1.00 0.00 C ATOM 2076 O SER A 136 92.764 21.250 -2.933 1.00 0.00 O ATOM 2077 CB SER A 136 92.012 18.272 -4.628 1.00 0.00 C ATOM 2078 OG SER A 136 92.144 16.918 -4.215 1.00 0.00 O ATOM 0 H SER A 136 89.725 18.568 -3.751 1.00 0.00 H new ATOM 0 HA SER A 136 92.314 18.803 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 136 91.209 18.365 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 136 92.928 18.607 -5.115 1.00 0.00 H new ATOM 0 HG SER A 136 91.261 16.494 -4.197 1.00 0.00 H new