USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 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 34 GLN :FLIP amide:sc=-0.00386 F(o=-5.5!,f=-2.5) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -2.46! C(o=-3.4!,f=-2.5!) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.57 F(o=-3.1!,f=-1.6) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.04 F(o=-2.3,f=-1) USER MOD Single : A 23 GLN : amide:sc= -2.84 K(o=-2.8,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 7:sc= -0.345 USER MOD Single : A 31 ASN : amide:sc= -0.196 K(o=-0.2,f=-0.75) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 38 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 52:sc= -3.55! USER MOD Single : A 44 ASN :FLIP amide:sc= -0.714 F(o=-2.6!,f=-0.71) USER MOD Single : A 46 ASN : amide:sc= 0.288 K(o=0.29,f=-0.93) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00711 K(o=-0.0071,f=-2!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.5) USER MOD Single : A 130 SER OG : rot 94:sc= 0.017 USER MOD Single : A 136 SER OG : rot 180:sc= -0.0249 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -54.973 5.407 5.299 1.00 0.00 N ATOM 251 CA GLN A 17 -53.799 5.849 4.555 1.00 0.00 C ATOM 252 C GLN A 17 -52.625 4.927 4.847 1.00 0.00 C ATOM 253 O GLN A 17 -51.780 4.685 3.987 1.00 0.00 O ATOM 254 CB GLN A 17 -53.427 7.282 4.940 1.00 0.00 C ATOM 255 CG GLN A 17 -54.083 8.260 3.964 1.00 0.00 C ATOM 256 CD GLN A 17 -55.598 8.243 4.143 1.00 0.00 C ATOM 257 OE1 GLN A 17 -56.117 7.697 5.209 1.00 0.00 O flip ATOM 258 NE2 GLN A 17 -56.329 8.741 3.287 1.00 0.00 N flip ATOM 0 HA GLN A 17 -54.033 5.818 3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -53.755 7.493 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -52.344 7.405 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -53.700 9.266 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -53.827 7.990 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -55.922 9.167 2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -57.341 8.727 3.410 1.00 0.00 H new ATOM 267 N GLN A 18 -52.585 4.413 6.072 1.00 0.00 N ATOM 268 CA GLN A 18 -51.514 3.514 6.480 1.00 0.00 C ATOM 269 C GLN A 18 -51.500 2.271 5.607 1.00 0.00 C ATOM 270 O GLN A 18 -50.474 1.916 5.042 1.00 0.00 O ATOM 271 CB GLN A 18 -51.710 3.084 7.936 1.00 0.00 C ATOM 272 CG GLN A 18 -50.384 3.173 8.701 1.00 0.00 C ATOM 273 CD GLN A 18 -50.271 4.525 9.396 1.00 0.00 C ATOM 274 OE1 GLN A 18 -50.258 5.565 8.737 1.00 0.00 O ATOM 275 NE2 GLN A 18 -50.188 4.574 10.698 1.00 0.00 N ATOM 0 H GLN A 18 -53.278 4.603 6.795 1.00 0.00 H new ATOM 0 HA GLN A 18 -50.569 4.047 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -52.456 3.720 8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -52.091 2.063 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -50.325 2.371 9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -49.549 3.037 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -50.199 3.712 11.243 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -50.112 5.475 11.171 1.00 0.00 H new ATOM 284 N THR A 19 -52.648 1.605 5.533 1.00 0.00 N ATOM 285 CA THR A 19 -52.774 0.382 4.758 1.00 0.00 C ATOM 286 C THR A 19 -52.525 0.626 3.275 1.00 0.00 C ATOM 287 O THR A 19 -51.729 -0.065 2.643 1.00 0.00 O ATOM 288 CB THR A 19 -54.166 -0.227 4.971 1.00 0.00 C ATOM 289 OG1 THR A 19 -54.060 -1.644 5.008 1.00 0.00 O ATOM 290 CG2 THR A 19 -55.112 0.182 3.837 1.00 0.00 C ATOM 0 H THR A 19 -53.505 1.895 6.003 1.00 0.00 H new ATOM 0 HA THR A 19 -52.014 -0.317 5.107 1.00 0.00 H new ATOM 0 HB THR A 19 -54.569 0.141 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -54.948 -2.035 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 19 -56.094 -0.259 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 19 -55.202 1.268 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 19 -54.714 -0.171 2.886 1.00 0.00 H new ATOM 298 N PHE A 20 -53.220 1.607 2.732 1.00 0.00 N ATOM 299 CA PHE A 20 -53.085 1.946 1.315 1.00 0.00 C ATOM 300 C PHE A 20 -51.626 2.240 0.982 1.00 0.00 C ATOM 301 O PHE A 20 -51.050 1.652 0.068 1.00 0.00 O ATOM 302 CB PHE A 20 -53.954 3.163 0.989 1.00 0.00 C ATOM 303 CG PHE A 20 -53.686 3.616 -0.426 1.00 0.00 C ATOM 304 CD1 PHE A 20 -54.432 3.090 -1.487 1.00 0.00 C ATOM 305 CD2 PHE A 20 -52.690 4.566 -0.675 1.00 0.00 C ATOM 306 CE1 PHE A 20 -54.180 3.516 -2.797 1.00 0.00 C ATOM 307 CE2 PHE A 20 -52.440 4.990 -1.984 1.00 0.00 C ATOM 308 CZ PHE A 20 -53.184 4.465 -3.043 1.00 0.00 C ATOM 0 H PHE A 20 -53.885 2.187 3.244 1.00 0.00 H new ATOM 0 HA PHE A 20 -53.417 1.100 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -55.008 2.911 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -53.740 3.972 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -55.201 2.356 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -52.114 4.972 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -54.755 3.111 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -51.671 5.724 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 20 -52.989 4.793 -4.053 1.00 0.00 H new ATOM 318 N LEU A 21 -51.036 3.144 1.747 1.00 0.00 N ATOM 319 CA LEU A 21 -49.635 3.507 1.557 1.00 0.00 C ATOM 320 C LEU A 21 -48.760 2.284 1.805 1.00 0.00 C ATOM 321 O LEU A 21 -47.890 1.947 1.001 1.00 0.00 O ATOM 322 CB LEU A 21 -49.244 4.622 2.532 1.00 0.00 C ATOM 323 CG LEU A 21 -49.808 5.959 2.045 1.00 0.00 C ATOM 324 CD1 LEU A 21 -49.860 6.953 3.208 1.00 0.00 C ATOM 325 CD2 LEU A 21 -48.910 6.518 0.941 1.00 0.00 C ATOM 0 H LEU A 21 -51.502 3.641 2.506 1.00 0.00 H new ATOM 0 HA LEU A 21 -49.492 3.862 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -49.626 4.397 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -48.159 4.683 2.613 1.00 0.00 H new ATOM 0 HG LEU A 21 -50.815 5.805 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -50.262 7.903 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -50.500 6.557 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -48.855 7.107 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -49.311 7.470 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -47.904 6.669 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -48.874 5.814 0.110 1.00 0.00 H new ATOM 337 N ASN A 22 -49.020 1.613 2.920 1.00 0.00 N ATOM 338 CA ASN A 22 -48.279 0.412 3.273 1.00 0.00 C ATOM 339 C ASN A 22 -48.265 -0.536 2.084 1.00 0.00 C ATOM 340 O ASN A 22 -47.236 -1.121 1.739 1.00 0.00 O ATOM 341 CB ASN A 22 -48.952 -0.272 4.467 1.00 0.00 C ATOM 342 CG ASN A 22 -48.375 0.268 5.773 1.00 0.00 C ATOM 343 OD1 ASN A 22 -47.657 1.358 5.757 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -48.583 -0.319 6.835 1.00 0.00 N flip ATOM 0 H ASN A 22 -49.738 1.881 3.594 1.00 0.00 H new ATOM 0 HA ASN A 22 -47.256 0.678 3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -50.028 -0.099 4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -48.801 -1.350 4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -49.144 -1.171 6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -48.194 0.046 7.704 1.00 0.00 H new ATOM 351 N GLN A 23 -49.424 -0.666 1.455 1.00 0.00 N ATOM 352 CA GLN A 23 -49.560 -1.528 0.295 1.00 0.00 C ATOM 353 C GLN A 23 -48.566 -1.116 -0.782 1.00 0.00 C ATOM 354 O GLN A 23 -47.800 -1.943 -1.266 1.00 0.00 O ATOM 355 CB GLN A 23 -50.987 -1.440 -0.262 1.00 0.00 C ATOM 356 CG GLN A 23 -51.835 -2.586 0.297 1.00 0.00 C ATOM 357 CD GLN A 23 -53.256 -2.098 0.555 1.00 0.00 C ATOM 358 OE1 GLN A 23 -53.499 -1.385 1.527 1.00 0.00 O ATOM 359 NE2 GLN A 23 -54.215 -2.440 -0.262 1.00 0.00 N ATOM 0 H GLN A 23 -50.281 -0.186 1.729 1.00 0.00 H new ATOM 0 HA GLN A 23 -49.356 -2.555 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -51.433 -0.482 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -50.966 -1.489 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -51.849 -3.418 -0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -51.395 -2.959 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -54.012 -3.031 -1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -55.167 -2.116 -0.095 1.00 0.00 H new ATOM 368 N LEU A 24 -48.590 0.167 -1.152 1.00 0.00 N ATOM 369 CA LEU A 24 -47.698 0.685 -2.186 1.00 0.00 C ATOM 370 C LEU A 24 -46.289 0.143 -2.004 1.00 0.00 C ATOM 371 O LEU A 24 -45.592 -0.126 -2.976 1.00 0.00 O ATOM 372 CB LEU A 24 -47.666 2.209 -2.131 1.00 0.00 C ATOM 373 CG LEU A 24 -48.791 2.771 -3.000 1.00 0.00 C ATOM 374 CD1 LEU A 24 -49.043 4.233 -2.630 1.00 0.00 C ATOM 375 CD2 LEU A 24 -48.391 2.683 -4.475 1.00 0.00 C ATOM 0 H LEU A 24 -49.218 0.863 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 24 -48.076 0.362 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -47.781 2.549 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -46.702 2.577 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 24 -49.699 2.192 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -49.845 4.632 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -49.329 4.299 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -48.134 4.812 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -49.194 3.084 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -47.482 3.261 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -48.212 1.641 -4.742 1.00 0.00 H new ATOM 387 N ARG A 25 -45.880 -0.029 -0.760 1.00 0.00 N ATOM 388 CA ARG A 25 -44.553 -0.555 -0.476 1.00 0.00 C ATOM 389 C ARG A 25 -44.532 -2.062 -0.717 1.00 0.00 C ATOM 390 O ARG A 25 -43.474 -2.663 -0.901 1.00 0.00 O ATOM 391 CB ARG A 25 -44.192 -0.257 0.981 1.00 0.00 C ATOM 392 CG ARG A 25 -42.736 -0.643 1.253 1.00 0.00 C ATOM 393 CD ARG A 25 -42.616 -1.186 2.678 1.00 0.00 C ATOM 394 NE ARG A 25 -43.647 -0.601 3.528 1.00 0.00 N ATOM 395 CZ ARG A 25 -44.072 -1.226 4.621 1.00 0.00 C ATOM 396 NH1 ARG A 25 -43.555 -2.375 4.958 1.00 0.00 N ATOM 397 NH2 ARG A 25 -45.006 -0.687 5.358 1.00 0.00 N ATOM 0 H ARG A 25 -46.441 0.185 0.065 1.00 0.00 H new ATOM 0 HA ARG A 25 -43.825 -0.081 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -44.341 0.802 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -44.853 -0.810 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -42.407 -1.395 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -42.088 0.224 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -42.713 -2.272 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -41.629 -0.957 3.080 1.00 0.00 H new ATOM 0 HE ARG A 25 -44.049 0.303 3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -42.824 -2.794 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -43.881 -2.855 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -45.408 0.212 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -45.333 -1.166 6.197 1.00 0.00 H new ATOM 411 N GLU A 26 -45.716 -2.664 -0.686 1.00 0.00 N ATOM 412 CA GLU A 26 -45.842 -4.110 -0.869 1.00 0.00 C ATOM 413 C GLU A 26 -45.963 -4.546 -2.342 1.00 0.00 C ATOM 414 O GLU A 26 -45.167 -5.359 -2.812 1.00 0.00 O ATOM 415 CB GLU A 26 -47.065 -4.611 -0.099 1.00 0.00 C ATOM 416 CG GLU A 26 -47.216 -6.116 -0.314 1.00 0.00 C ATOM 417 CD GLU A 26 -48.012 -6.730 0.833 1.00 0.00 C ATOM 418 OE1 GLU A 26 -49.085 -6.226 1.119 1.00 0.00 O ATOM 419 OE2 GLU A 26 -47.537 -7.696 1.408 1.00 0.00 O ATOM 0 H GLU A 26 -46.600 -2.178 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 26 -44.920 -4.550 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -46.954 -4.393 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -47.961 -4.092 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -47.721 -6.307 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -46.233 -6.583 -0.376 1.00 0.00 H new ATOM 426 N ILE A 27 -46.980 -4.049 -3.053 1.00 0.00 N ATOM 427 CA ILE A 27 -47.199 -4.460 -4.453 1.00 0.00 C ATOM 428 C ILE A 27 -45.995 -4.144 -5.339 1.00 0.00 C ATOM 429 O ILE A 27 -45.415 -5.041 -5.951 1.00 0.00 O ATOM 430 CB ILE A 27 -48.436 -3.760 -5.047 1.00 0.00 C ATOM 431 CG1 ILE A 27 -49.301 -3.188 -3.936 1.00 0.00 C ATOM 432 CG2 ILE A 27 -49.282 -4.729 -5.870 1.00 0.00 C ATOM 433 CD1 ILE A 27 -48.859 -1.761 -3.693 1.00 0.00 C ATOM 0 H ILE A 27 -47.656 -3.374 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 27 -47.352 -5.539 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 27 -48.077 -2.961 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -50.354 -3.219 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -49.196 -3.780 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -50.147 -4.203 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -48.684 -5.129 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -49.620 -5.547 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -49.463 -1.323 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -47.810 -1.750 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -48.985 -1.180 -4.607 1.00 0.00 H new ATOM 445 N THR A 28 -45.633 -2.869 -5.419 1.00 0.00 N ATOM 446 CA THR A 28 -44.509 -2.459 -6.256 1.00 0.00 C ATOM 447 C THR A 28 -43.184 -2.661 -5.525 1.00 0.00 C ATOM 448 O THR A 28 -42.112 -2.435 -6.087 1.00 0.00 O ATOM 449 CB THR A 28 -44.665 -0.992 -6.684 1.00 0.00 C ATOM 450 OG1 THR A 28 -43.416 -0.500 -7.149 1.00 0.00 O ATOM 451 CG2 THR A 28 -45.140 -0.144 -5.503 1.00 0.00 C ATOM 0 H THR A 28 -46.095 -2.108 -4.921 1.00 0.00 H new ATOM 0 HA THR A 28 -44.505 -3.084 -7.149 1.00 0.00 H new ATOM 0 HB THR A 28 -45.405 -0.932 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 28 -42.770 -1.236 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 28 -45.247 0.894 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 28 -46.102 -0.517 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 28 -44.410 -0.204 -4.695 1.00 0.00 H new ATOM 459 N GLY A 29 -43.266 -3.102 -4.274 1.00 0.00 N ATOM 460 CA GLY A 29 -42.068 -3.349 -3.478 1.00 0.00 C ATOM 461 C GLY A 29 -41.230 -2.085 -3.326 1.00 0.00 C ATOM 462 O GLY A 29 -40.021 -2.155 -3.108 1.00 0.00 O ATOM 0 H GLY A 29 -44.144 -3.295 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -42.354 -3.718 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -41.470 -4.129 -3.950 1.00 0.00 H new ATOM 466 N ILE A 30 -41.875 -0.930 -3.438 1.00 0.00 N ATOM 467 CA ILE A 30 -41.168 0.337 -3.306 1.00 0.00 C ATOM 468 C ILE A 30 -40.716 0.539 -1.860 1.00 0.00 C ATOM 469 O ILE A 30 -41.247 -0.091 -0.945 1.00 0.00 O ATOM 470 CB ILE A 30 -42.076 1.488 -3.742 1.00 0.00 C ATOM 471 CG1 ILE A 30 -42.194 1.490 -5.267 1.00 0.00 C ATOM 472 CG2 ILE A 30 -41.483 2.815 -3.277 1.00 0.00 C ATOM 473 CD1 ILE A 30 -41.039 2.287 -5.878 1.00 0.00 C ATOM 0 H ILE A 30 -42.875 -0.845 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 30 -40.287 0.320 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 30 -43.063 1.359 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -42.180 0.467 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -43.147 1.927 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -42.132 3.633 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -41.397 2.814 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -40.495 2.947 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -41.129 2.284 -6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -41.073 3.314 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -40.091 1.831 -5.592 1.00 0.00 H new ATOM 485 N ASN A 31 -39.729 1.408 -1.659 1.00 0.00 N ATOM 486 CA ASN A 31 -39.215 1.663 -0.315 1.00 0.00 C ATOM 487 C ASN A 31 -39.097 3.159 -0.042 1.00 0.00 C ATOM 488 O ASN A 31 -38.338 3.579 0.832 1.00 0.00 O ATOM 489 CB ASN A 31 -37.843 1.008 -0.148 1.00 0.00 C ATOM 490 CG ASN A 31 -37.855 -0.389 -0.758 1.00 0.00 C ATOM 491 OD1 ASN A 31 -38.711 -1.206 -0.422 1.00 0.00 O ATOM 492 ND2 ASN A 31 -36.950 -0.712 -1.640 1.00 0.00 N ATOM 0 H ASN A 31 -39.273 1.942 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 31 -39.919 1.236 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -37.079 1.618 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -37.585 0.950 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -36.951 -1.644 -2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -36.242 -0.032 -1.916 1.00 0.00 H new ATOM 499 N ASP A 32 -39.853 3.958 -0.784 1.00 0.00 N ATOM 500 CA ASP A 32 -39.826 5.403 -0.602 1.00 0.00 C ATOM 501 C ASP A 32 -41.072 5.860 0.150 1.00 0.00 C ATOM 502 O ASP A 32 -42.194 5.626 -0.295 1.00 0.00 O ATOM 503 CB ASP A 32 -39.758 6.101 -1.959 1.00 0.00 C ATOM 504 CG ASP A 32 -38.359 6.663 -2.190 1.00 0.00 C ATOM 505 OD1 ASP A 32 -37.908 7.435 -1.360 1.00 0.00 O ATOM 506 OD2 ASP A 32 -37.760 6.314 -3.194 1.00 0.00 O ATOM 0 H ASP A 32 -40.488 3.633 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 32 -38.942 5.666 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -40.011 5.397 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -40.493 6.905 -2.000 1.00 0.00 H new ATOM 511 N THR A 33 -40.866 6.499 1.295 1.00 0.00 N ATOM 512 CA THR A 33 -41.981 6.971 2.110 1.00 0.00 C ATOM 513 C THR A 33 -42.514 8.308 1.598 1.00 0.00 C ATOM 514 O THR A 33 -43.681 8.638 1.805 1.00 0.00 O ATOM 515 CB THR A 33 -41.525 7.124 3.565 1.00 0.00 C ATOM 516 OG1 THR A 33 -40.153 6.765 3.665 1.00 0.00 O ATOM 517 CG2 THR A 33 -42.357 6.213 4.469 1.00 0.00 C ATOM 0 H THR A 33 -39.943 6.702 1.679 1.00 0.00 H new ATOM 0 HA THR A 33 -42.784 6.237 2.047 1.00 0.00 H new ATOM 0 HB THR A 33 -41.660 8.159 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 33 -39.856 6.863 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 33 -42.028 6.326 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 33 -43.409 6.486 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 33 -42.228 5.176 4.159 1.00 0.00 H new ATOM 525 N GLN A 34 -41.654 9.077 0.939 1.00 0.00 N ATOM 526 CA GLN A 34 -42.060 10.380 0.418 1.00 0.00 C ATOM 527 C GLN A 34 -42.740 10.242 -0.941 1.00 0.00 C ATOM 528 O GLN A 34 -43.790 10.838 -1.186 1.00 0.00 O ATOM 529 CB GLN A 34 -40.839 11.291 0.286 1.00 0.00 C ATOM 530 CG GLN A 34 -40.505 11.894 1.651 1.00 0.00 C ATOM 531 CD GLN A 34 -41.243 13.216 1.829 1.00 0.00 C ATOM 532 OE1 GLN A 34 -42.541 13.213 1.972 1.00 0.00 O flip ATOM 533 NE2 GLN A 34 -40.623 14.279 1.838 1.00 0.00 N flip ATOM 0 H GLN A 34 -40.683 8.826 0.754 1.00 0.00 H new ATOM 0 HA GLN A 34 -42.772 10.816 1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -39.988 10.724 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -41.039 12.084 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -40.787 11.201 2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -39.430 12.054 1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -39.609 14.279 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -41.123 15.160 1.957 1.00 0.00 H new ATOM 542 N ILE A 35 -42.132 9.464 -1.825 1.00 0.00 N ATOM 543 CA ILE A 35 -42.684 9.268 -3.159 1.00 0.00 C ATOM 544 C ILE A 35 -44.005 8.505 -3.100 1.00 0.00 C ATOM 545 O ILE A 35 -44.798 8.551 -4.040 1.00 0.00 O ATOM 546 CB ILE A 35 -41.683 8.503 -4.027 1.00 0.00 C ATOM 547 CG1 ILE A 35 -40.292 9.119 -3.859 1.00 0.00 C ATOM 548 CG2 ILE A 35 -42.104 8.593 -5.493 1.00 0.00 C ATOM 549 CD1 ILE A 35 -40.405 10.645 -3.863 1.00 0.00 C ATOM 0 H ILE A 35 -41.263 8.961 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 35 -42.874 10.248 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 35 -41.660 7.457 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -39.843 8.780 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -39.637 8.790 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -41.390 8.048 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -43.096 8.157 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -42.127 9.638 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -39.414 11.084 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -40.836 10.975 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -41.045 10.965 -3.041 1.00 0.00 H new ATOM 561 N LEU A 36 -44.235 7.798 -1.998 1.00 0.00 N ATOM 562 CA LEU A 36 -45.465 7.027 -1.847 1.00 0.00 C ATOM 563 C LEU A 36 -46.656 7.942 -1.573 1.00 0.00 C ATOM 564 O LEU A 36 -47.587 8.015 -2.375 1.00 0.00 O ATOM 565 CB LEU A 36 -45.317 6.019 -0.705 1.00 0.00 C ATOM 566 CG LEU A 36 -45.522 4.604 -1.247 1.00 0.00 C ATOM 567 CD1 LEU A 36 -44.278 4.166 -2.021 1.00 0.00 C ATOM 568 CD2 LEU A 36 -45.765 3.634 -0.088 1.00 0.00 C ATOM 0 H LEU A 36 -43.595 7.742 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 36 -45.646 6.494 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -44.329 6.108 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -46.046 6.230 0.078 1.00 0.00 H new ATOM 0 HG LEU A 36 -46.387 4.598 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -44.426 3.157 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -44.107 4.851 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -43.414 4.178 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -45.910 2.627 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -44.904 3.642 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -46.654 3.941 0.463 1.00 0.00 H new ATOM 580 N GLN A 37 -46.623 8.641 -0.443 1.00 0.00 N ATOM 581 CA GLN A 37 -47.712 9.547 -0.096 1.00 0.00 C ATOM 582 C GLN A 37 -47.995 10.469 -1.270 1.00 0.00 C ATOM 583 O GLN A 37 -49.109 10.966 -1.432 1.00 0.00 O ATOM 584 CB GLN A 37 -47.360 10.365 1.150 1.00 0.00 C ATOM 585 CG GLN A 37 -46.194 11.303 0.842 1.00 0.00 C ATOM 586 CD GLN A 37 -45.371 11.535 2.104 1.00 0.00 C ATOM 587 OE1 GLN A 37 -45.593 12.595 2.832 1.00 0.00 O flip ATOM 588 NE2 GLN A 37 -44.505 10.727 2.439 1.00 0.00 N flip ATOM 0 H GLN A 37 -45.866 8.599 0.239 1.00 0.00 H new ATOM 0 HA GLN A 37 -48.604 8.961 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -48.226 10.942 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -47.095 9.698 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -45.566 10.874 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -46.570 12.253 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -44.332 9.899 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -43.960 10.886 3.286 1.00 0.00 H new ATOM 597 N GLN A 38 -46.981 10.669 -2.102 1.00 0.00 N ATOM 598 CA GLN A 38 -47.133 11.510 -3.282 1.00 0.00 C ATOM 599 C GLN A 38 -47.920 10.752 -4.346 1.00 0.00 C ATOM 600 O GLN A 38 -48.770 11.320 -5.033 1.00 0.00 O ATOM 601 CB GLN A 38 -45.760 11.906 -3.830 1.00 0.00 C ATOM 602 CG GLN A 38 -45.936 12.894 -4.985 1.00 0.00 C ATOM 603 CD GLN A 38 -44.656 12.963 -5.812 1.00 0.00 C ATOM 604 OE1 GLN A 38 -43.618 12.449 -5.395 1.00 0.00 O ATOM 605 NE2 GLN A 38 -44.669 13.573 -6.965 1.00 0.00 N ATOM 0 H GLN A 38 -46.052 10.264 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 38 -47.673 12.417 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -45.158 12.356 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -45.225 11.021 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -46.770 12.585 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -46.181 13.882 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -45.531 13.998 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -43.817 13.625 -7.524 1.00 0.00 H new ATOM 614 N ALA A 39 -47.640 9.456 -4.457 1.00 0.00 N ATOM 615 CA ALA A 39 -48.333 8.611 -5.420 1.00 0.00 C ATOM 616 C ALA A 39 -49.810 8.508 -5.052 1.00 0.00 C ATOM 617 O ALA A 39 -50.647 8.159 -5.884 1.00 0.00 O ATOM 618 CB ALA A 39 -47.696 7.218 -5.449 1.00 0.00 C ATOM 0 H ALA A 39 -46.941 8.972 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 39 -48.247 9.056 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -48.221 6.593 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -46.648 7.303 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -47.766 6.765 -4.460 1.00 0.00 H new ATOM 624 N LEU A 40 -50.118 8.824 -3.796 1.00 0.00 N ATOM 625 CA LEU A 40 -51.494 8.777 -3.312 1.00 0.00 C ATOM 626 C LEU A 40 -52.263 10.018 -3.758 1.00 0.00 C ATOM 627 O LEU A 40 -53.336 9.917 -4.351 1.00 0.00 O ATOM 628 CB LEU A 40 -51.505 8.702 -1.783 1.00 0.00 C ATOM 629 CG LEU A 40 -52.915 8.997 -1.260 1.00 0.00 C ATOM 630 CD1 LEU A 40 -53.933 8.111 -1.980 1.00 0.00 C ATOM 631 CD2 LEU A 40 -52.969 8.710 0.241 1.00 0.00 C ATOM 0 H LEU A 40 -49.434 9.115 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 40 -51.974 7.892 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -51.185 7.713 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -50.796 9.419 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 40 -53.154 10.044 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -54.933 8.326 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -53.897 8.312 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -53.695 7.063 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -53.971 8.919 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -52.726 7.663 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -52.249 9.343 0.759 1.00 0.00 H new ATOM 643 N LYS A 41 -51.706 11.189 -3.466 1.00 0.00 N ATOM 644 CA LYS A 41 -52.349 12.441 -3.838 1.00 0.00 C ATOM 645 C LYS A 41 -52.708 12.434 -5.318 1.00 0.00 C ATOM 646 O LYS A 41 -53.717 13.011 -5.725 1.00 0.00 O ATOM 647 CB LYS A 41 -51.413 13.618 -3.550 1.00 0.00 C ATOM 648 CG LYS A 41 -51.750 14.237 -2.188 1.00 0.00 C ATOM 649 CD LYS A 41 -51.240 13.326 -1.067 1.00 0.00 C ATOM 650 CE LYS A 41 -50.735 14.178 0.101 1.00 0.00 C ATOM 651 NZ LYS A 41 -49.930 13.327 1.022 1.00 0.00 N ATOM 0 H LYS A 41 -50.817 11.296 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 41 -53.260 12.548 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -50.377 13.279 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -51.509 14.369 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -51.295 15.224 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -52.827 14.374 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -52.039 12.666 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -50.437 12.690 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -50.129 15.004 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -51.577 14.617 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -49.586 13.904 1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -50.522 12.554 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -49.119 12.929 0.507 1.00 0.00 H new ATOM 665 N ASP A 42 -51.874 11.781 -6.120 1.00 0.00 N ATOM 666 CA ASP A 42 -52.114 11.713 -7.555 1.00 0.00 C ATOM 667 C ASP A 42 -53.075 10.576 -7.895 1.00 0.00 C ATOM 668 O ASP A 42 -53.790 10.635 -8.896 1.00 0.00 O ATOM 669 CB ASP A 42 -50.793 11.511 -8.300 1.00 0.00 C ATOM 670 CG ASP A 42 -50.329 12.830 -8.909 1.00 0.00 C ATOM 671 OD1 ASP A 42 -51.052 13.366 -9.733 1.00 0.00 O ATOM 672 OD2 ASP A 42 -49.257 13.284 -8.544 1.00 0.00 O ATOM 0 H ASP A 42 -51.034 11.296 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 42 -52.566 12.654 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -50.035 11.131 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -50.919 10.764 -9.084 1.00 0.00 H new ATOM 677 N SER A 43 -53.086 9.540 -7.060 1.00 0.00 N ATOM 678 CA SER A 43 -53.963 8.394 -7.289 1.00 0.00 C ATOM 679 C SER A 43 -55.379 8.692 -6.812 1.00 0.00 C ATOM 680 O SER A 43 -56.352 8.181 -7.367 1.00 0.00 O ATOM 681 CB SER A 43 -53.427 7.171 -6.549 1.00 0.00 C ATOM 682 OG SER A 43 -52.433 6.537 -7.343 1.00 0.00 O ATOM 0 H SER A 43 -52.503 9.470 -6.226 1.00 0.00 H new ATOM 0 HA SER A 43 -53.988 8.193 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 43 -53.006 7.469 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 43 -54.239 6.475 -6.339 1.00 0.00 H new ATOM 0 HG SER A 43 -51.763 7.197 -7.617 1.00 0.00 H new ATOM 688 N ASN A 44 -55.488 9.525 -5.786 1.00 0.00 N ATOM 689 CA ASN A 44 -56.791 9.890 -5.246 1.00 0.00 C ATOM 690 C ASN A 44 -57.529 8.666 -4.701 1.00 0.00 C ATOM 691 O ASN A 44 -58.754 8.584 -4.790 1.00 0.00 O ATOM 692 CB ASN A 44 -57.637 10.552 -6.337 1.00 0.00 C ATOM 693 CG ASN A 44 -58.896 11.154 -5.723 1.00 0.00 C ATOM 694 OD1 ASN A 44 -58.961 11.328 -4.432 1.00 0.00 O flip ATOM 695 ND2 ASN A 44 -59.845 11.474 -6.440 1.00 0.00 N flip ATOM 0 H ASN A 44 -54.695 9.959 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 44 -56.632 10.589 -4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -57.058 11.329 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -57.907 9.818 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -59.791 11.337 -7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -60.685 11.876 -6.025 1.00 0.00 H new ATOM 702 N GLY A 45 -56.783 7.723 -4.126 1.00 0.00 N ATOM 703 CA GLY A 45 -57.396 6.521 -3.562 1.00 0.00 C ATOM 704 C GLY A 45 -57.227 5.316 -4.484 1.00 0.00 C ATOM 705 O GLY A 45 -57.746 4.234 -4.205 1.00 0.00 O ATOM 0 H GLY A 45 -55.768 7.766 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -56.947 6.304 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -58.457 6.701 -3.388 1.00 0.00 H new ATOM 709 N ASN A 46 -56.493 5.503 -5.573 1.00 0.00 N ATOM 710 CA ASN A 46 -56.256 4.418 -6.519 1.00 0.00 C ATOM 711 C ASN A 46 -54.940 3.711 -6.181 1.00 0.00 C ATOM 712 O ASN A 46 -53.920 4.358 -5.959 1.00 0.00 O ATOM 713 CB ASN A 46 -56.228 4.973 -7.941 1.00 0.00 C ATOM 714 CG ASN A 46 -57.631 5.411 -8.350 1.00 0.00 C ATOM 715 OD1 ASN A 46 -58.285 4.737 -9.146 1.00 0.00 O ATOM 716 ND2 ASN A 46 -58.135 6.505 -7.848 1.00 0.00 N ATOM 0 H ASN A 46 -56.054 6.389 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 46 -57.063 3.689 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -55.542 5.818 -7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -55.858 4.214 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -59.073 6.804 -8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -57.591 7.061 -7.189 1.00 0.00 H new ATOM 723 N LEU A 47 -54.980 2.382 -6.111 1.00 0.00 N ATOM 724 CA LEU A 47 -53.788 1.605 -5.752 1.00 0.00 C ATOM 725 C LEU A 47 -52.904 1.333 -6.967 1.00 0.00 C ATOM 726 O LEU A 47 -51.755 1.771 -7.019 1.00 0.00 O ATOM 727 CB LEU A 47 -54.226 0.269 -5.132 1.00 0.00 C ATOM 728 CG LEU A 47 -53.093 -0.365 -4.304 1.00 0.00 C ATOM 729 CD1 LEU A 47 -51.741 -0.179 -4.992 1.00 0.00 C ATOM 730 CD2 LEU A 47 -53.043 0.267 -2.908 1.00 0.00 C ATOM 0 H LEU A 47 -55.813 1.823 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 47 -53.206 2.187 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -55.097 0.429 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -54.530 -0.418 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 47 -53.298 -1.432 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -50.959 -0.636 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -51.764 -0.653 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -51.535 0.885 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -52.238 -0.189 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -52.862 1.338 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -53.993 0.102 -2.399 1.00 0.00 H new ATOM 742 N GLU A 48 -53.444 0.605 -7.937 1.00 0.00 N ATOM 743 CA GLU A 48 -52.690 0.273 -9.143 1.00 0.00 C ATOM 744 C GLU A 48 -52.118 1.534 -9.771 1.00 0.00 C ATOM 745 O GLU A 48 -51.151 1.482 -10.530 1.00 0.00 O ATOM 746 CB GLU A 48 -53.596 -0.434 -10.153 1.00 0.00 C ATOM 747 CG GLU A 48 -53.531 -1.946 -9.927 1.00 0.00 C ATOM 748 CD GLU A 48 -54.861 -2.588 -10.306 1.00 0.00 C ATOM 749 OE1 GLU A 48 -55.643 -1.932 -10.976 1.00 0.00 O ATOM 750 OE2 GLU A 48 -55.079 -3.725 -9.922 1.00 0.00 O ATOM 0 H GLU A 48 -54.394 0.235 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 48 -51.872 -0.392 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -54.622 -0.083 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -53.283 -0.194 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -52.727 -2.377 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -53.301 -2.156 -8.883 1.00 0.00 H new ATOM 757 N LEU A 49 -52.725 2.665 -9.447 1.00 0.00 N ATOM 758 CA LEU A 49 -52.277 3.940 -9.982 1.00 0.00 C ATOM 759 C LEU A 49 -51.096 4.453 -9.189 1.00 0.00 C ATOM 760 O LEU A 49 -50.036 4.721 -9.748 1.00 0.00 O ATOM 761 CB LEU A 49 -53.408 4.953 -9.922 1.00 0.00 C ATOM 762 CG LEU A 49 -54.426 4.610 -11.002 1.00 0.00 C ATOM 763 CD1 LEU A 49 -53.832 4.948 -12.370 1.00 0.00 C ATOM 764 CD2 LEU A 49 -54.743 3.111 -10.940 1.00 0.00 C ATOM 0 H LEU A 49 -53.526 2.726 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 49 -51.975 3.797 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -53.879 4.936 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -53.021 5.961 -10.073 1.00 0.00 H new ATOM 0 HG LEU A 49 -55.341 5.182 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -54.554 4.706 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -53.596 6.011 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -52.922 4.368 -12.525 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -55.471 2.861 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -53.830 2.539 -11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -55.153 2.866 -9.960 1.00 0.00 H new ATOM 776 N ALA A 50 -51.268 4.564 -7.880 1.00 0.00 N ATOM 777 CA ALA A 50 -50.177 5.019 -7.049 1.00 0.00 C ATOM 778 C ALA A 50 -48.982 4.147 -7.371 1.00 0.00 C ATOM 779 O ALA A 50 -47.847 4.611 -7.441 1.00 0.00 O ATOM 780 CB ALA A 50 -50.548 4.911 -5.569 1.00 0.00 C ATOM 0 H ALA A 50 -52.133 4.350 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 50 -49.950 6.067 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -49.714 5.258 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -51.425 5.526 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -50.769 3.872 -5.324 1.00 0.00 H new ATOM 786 N VAL A 51 -49.274 2.876 -7.617 1.00 0.00 N ATOM 787 CA VAL A 51 -48.254 1.916 -7.990 1.00 0.00 C ATOM 788 C VAL A 51 -47.637 2.327 -9.318 1.00 0.00 C ATOM 789 O VAL A 51 -46.417 2.389 -9.465 1.00 0.00 O ATOM 790 CB VAL A 51 -48.900 0.534 -8.119 1.00 0.00 C ATOM 791 CG1 VAL A 51 -48.308 -0.225 -9.309 1.00 0.00 C ATOM 792 CG2 VAL A 51 -48.654 -0.244 -6.834 1.00 0.00 C ATOM 0 H VAL A 51 -50.216 2.489 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 51 -47.473 1.884 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 51 -49.971 0.649 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -48.779 -1.205 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -48.489 0.337 -10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -47.235 -0.348 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -49.110 -1.231 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -47.581 -0.351 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -49.095 0.293 -5.994 1.00 0.00 H new ATOM 802 N ALA A 52 -48.504 2.607 -10.282 1.00 0.00 N ATOM 803 CA ALA A 52 -48.066 3.013 -11.605 1.00 0.00 C ATOM 804 C ALA A 52 -47.177 4.251 -11.525 1.00 0.00 C ATOM 805 O ALA A 52 -46.145 4.322 -12.180 1.00 0.00 O ATOM 806 CB ALA A 52 -49.283 3.301 -12.478 1.00 0.00 C ATOM 0 H ALA A 52 -49.517 2.559 -10.169 1.00 0.00 H new ATOM 0 HA ALA A 52 -47.484 2.203 -12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -48.954 3.606 -13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -49.894 2.402 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -49.872 4.101 -12.029 1.00 0.00 H new ATOM 812 N PHE A 53 -47.571 5.230 -10.724 1.00 0.00 N ATOM 813 CA PHE A 53 -46.762 6.440 -10.602 1.00 0.00 C ATOM 814 C PHE A 53 -45.369 6.110 -10.073 1.00 0.00 C ATOM 815 O PHE A 53 -44.417 6.853 -10.309 1.00 0.00 O ATOM 816 CB PHE A 53 -47.425 7.453 -9.677 1.00 0.00 C ATOM 817 CG PHE A 53 -48.870 7.690 -10.073 1.00 0.00 C ATOM 818 CD1 PHE A 53 -49.277 7.611 -11.417 1.00 0.00 C ATOM 819 CD2 PHE A 53 -49.808 8.006 -9.083 1.00 0.00 C ATOM 820 CE1 PHE A 53 -50.613 7.847 -11.759 1.00 0.00 C ATOM 821 CE2 PHE A 53 -51.143 8.240 -9.429 1.00 0.00 C ATOM 822 CZ PHE A 53 -51.546 8.162 -10.766 1.00 0.00 C ATOM 0 H PHE A 53 -48.422 5.217 -10.162 1.00 0.00 H new ATOM 0 HA PHE A 53 -46.675 6.875 -11.598 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -47.381 7.095 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -46.876 8.394 -9.710 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -48.558 7.368 -12.185 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -49.500 8.069 -8.050 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -50.924 7.786 -12.791 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -51.864 8.481 -8.662 1.00 0.00 H new ATOM 0 HZ PHE A 53 -52.577 8.345 -11.031 1.00 0.00 H new ATOM 832 N LEU A 54 -45.253 4.997 -9.359 1.00 0.00 N ATOM 833 CA LEU A 54 -43.963 4.592 -8.808 1.00 0.00 C ATOM 834 C LEU A 54 -43.180 3.761 -9.820 1.00 0.00 C ATOM 835 O LEU A 54 -42.035 4.078 -10.144 1.00 0.00 O ATOM 836 CB LEU A 54 -44.179 3.791 -7.526 1.00 0.00 C ATOM 837 CG LEU A 54 -44.926 4.673 -6.515 1.00 0.00 C ATOM 838 CD1 LEU A 54 -45.376 3.840 -5.314 1.00 0.00 C ATOM 839 CD2 LEU A 54 -44.008 5.801 -6.036 1.00 0.00 C ATOM 0 H LEU A 54 -46.025 4.365 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 54 -43.384 5.487 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -44.753 2.888 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -43.222 3.472 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 54 -45.804 5.097 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -45.904 4.478 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -46.041 3.045 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -44.504 3.402 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -44.542 6.425 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -43.125 5.374 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -43.703 6.408 -6.888 1.00 0.00 H new ATOM 851 N THR A 55 -43.807 2.705 -10.327 1.00 0.00 N ATOM 852 CA THR A 55 -43.162 1.846 -11.313 1.00 0.00 C ATOM 853 C THR A 55 -43.482 2.348 -12.715 1.00 0.00 C ATOM 854 O THR A 55 -42.630 2.342 -13.603 1.00 0.00 O ATOM 855 CB THR A 55 -43.653 0.405 -11.156 1.00 0.00 C ATOM 856 OG1 THR A 55 -42.916 -0.441 -12.027 1.00 0.00 O ATOM 857 CG2 THR A 55 -45.140 0.329 -11.504 1.00 0.00 C ATOM 0 H THR A 55 -44.754 2.425 -10.074 1.00 0.00 H new ATOM 0 HA THR A 55 -42.084 1.871 -11.156 1.00 0.00 H new ATOM 0 HB THR A 55 -43.508 0.081 -10.125 1.00 0.00 H new ATOM 0 HG1 THR A 55 -43.228 -1.365 -11.927 1.00 0.00 H new ATOM 0 HG21 THR A 55 -45.488 -0.698 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 55 -45.704 0.979 -10.835 1.00 0.00 H new ATOM 0 HG23 THR A 55 -45.290 0.652 -12.534 1.00 0.00 H new ATOM 1533 N ASP A 101 37.663 -6.520 -4.220 1.00 0.00 N ATOM 1534 CA ASP A 101 38.193 -5.646 -3.177 1.00 0.00 C ATOM 1535 C ASP A 101 39.578 -6.108 -2.724 1.00 0.00 C ATOM 1536 O ASP A 101 40.540 -5.336 -2.746 1.00 0.00 O ATOM 1537 CB ASP A 101 37.243 -5.632 -1.977 1.00 0.00 C ATOM 1538 CG ASP A 101 35.796 -5.620 -2.456 1.00 0.00 C ATOM 1539 OD1 ASP A 101 35.577 -5.291 -3.610 1.00 0.00 O ATOM 1540 OD2 ASP A 101 34.927 -5.940 -1.661 1.00 0.00 O ATOM 0 HA ASP A 101 38.280 -4.641 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 101 37.420 -6.507 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.437 -4.755 -1.359 1.00 0.00 H new ATOM 1545 N LEU A 102 39.675 -7.364 -2.300 1.00 0.00 N ATOM 1546 CA LEU A 102 40.951 -7.893 -1.835 1.00 0.00 C ATOM 1547 C LEU A 102 42.014 -7.738 -2.905 1.00 0.00 C ATOM 1548 O LEU A 102 43.175 -7.457 -2.608 1.00 0.00 O ATOM 1549 CB LEU A 102 40.804 -9.362 -1.415 1.00 0.00 C ATOM 1550 CG LEU A 102 41.347 -10.287 -2.510 1.00 0.00 C ATOM 1551 CD1 LEU A 102 42.878 -10.252 -2.496 1.00 0.00 C ATOM 1552 CD2 LEU A 102 40.870 -11.722 -2.256 1.00 0.00 C ATOM 0 H LEU A 102 38.899 -8.025 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 102 41.265 -7.321 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 102 41.342 -9.536 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 102 39.755 -9.589 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 102 40.982 -9.949 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 102 43.264 -10.910 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 102 43.220 -9.233 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 102 43.241 -10.588 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 102 41.257 -12.378 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 102 41.233 -12.059 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 102 39.780 -11.750 -2.266 1.00 0.00 H new ATOM 1564 N GLN A 103 41.604 -7.890 -4.148 1.00 0.00 N ATOM 1565 CA GLN A 103 42.528 -7.729 -5.256 1.00 0.00 C ATOM 1566 C GLN A 103 43.195 -6.371 -5.121 1.00 0.00 C ATOM 1567 O GLN A 103 44.261 -6.115 -5.686 1.00 0.00 O ATOM 1568 CB GLN A 103 41.770 -7.803 -6.581 1.00 0.00 C ATOM 1569 CG GLN A 103 42.418 -8.853 -7.487 1.00 0.00 C ATOM 1570 CD GLN A 103 41.502 -9.158 -8.669 1.00 0.00 C ATOM 1571 OE1 GLN A 103 40.366 -8.686 -8.713 1.00 0.00 O ATOM 1572 NE2 GLN A 103 41.931 -9.924 -9.636 1.00 0.00 N ATOM 0 H GLN A 103 40.648 -8.122 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 103 43.276 -8.522 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 103 40.726 -8.059 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.779 -6.830 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.381 -8.491 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 103 42.611 -9.764 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 103 42.873 -10.314 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 103 41.324 -10.132 -10.429 1.00 0.00 H new ATOM 1581 N ARG A 104 42.547 -5.509 -4.346 1.00 0.00 N ATOM 1582 CA ARG A 104 43.058 -4.168 -4.106 1.00 0.00 C ATOM 1583 C ARG A 104 44.029 -4.187 -2.936 1.00 0.00 C ATOM 1584 O ARG A 104 44.997 -3.430 -2.907 1.00 0.00 O ATOM 1585 CB ARG A 104 41.904 -3.210 -3.800 1.00 0.00 C ATOM 1586 CG ARG A 104 42.391 -1.766 -3.943 1.00 0.00 C ATOM 1587 CD ARG A 104 41.314 -0.807 -3.430 1.00 0.00 C ATOM 1588 NE ARG A 104 41.874 0.087 -2.423 1.00 0.00 N ATOM 1589 CZ ARG A 104 41.091 0.877 -1.695 1.00 0.00 C ATOM 1590 NH1 ARG A 104 39.799 0.858 -1.872 1.00 0.00 N ATOM 1591 NH2 ARG A 104 41.615 1.672 -0.803 1.00 0.00 N ATOM 0 H ARG A 104 41.667 -5.716 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 104 43.577 -3.825 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 104 41.073 -3.394 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.532 -3.382 -2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 104 43.314 -1.626 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 104 42.617 -1.550 -4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 104 40.910 -0.226 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.486 -1.373 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 104 42.883 0.106 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.389 0.237 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 104 39.199 1.464 -1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 104 42.625 1.687 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 104 41.014 2.278 -0.244 1.00 0.00 H new ATOM 1605 N ALA A 105 43.765 -5.065 -1.976 1.00 0.00 N ATOM 1606 CA ALA A 105 44.631 -5.180 -0.810 1.00 0.00 C ATOM 1607 C ALA A 105 46.069 -5.446 -1.247 1.00 0.00 C ATOM 1608 O ALA A 105 46.992 -4.723 -0.865 1.00 0.00 O ATOM 1609 CB ALA A 105 44.149 -6.318 0.093 1.00 0.00 C ATOM 0 H ALA A 105 42.968 -5.701 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 105 44.594 -4.243 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.803 -6.395 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.130 -6.114 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.170 -7.256 -0.462 1.00 0.00 H new ATOM 1615 N ILE A 106 46.251 -6.486 -2.058 1.00 0.00 N ATOM 1616 CA ILE A 106 47.580 -6.838 -2.547 1.00 0.00 C ATOM 1617 C ILE A 106 48.110 -5.760 -3.473 1.00 0.00 C ATOM 1618 O ILE A 106 49.250 -5.313 -3.349 1.00 0.00 O ATOM 1619 CB ILE A 106 47.548 -8.181 -3.287 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.350 -9.019 -2.822 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.839 -8.949 -3.002 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.442 -9.273 -1.315 1.00 0.00 C ATOM 0 H ILE A 106 45.502 -7.094 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 106 48.242 -6.925 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 106 47.455 -7.991 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.420 -8.500 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.329 -9.968 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.818 -9.904 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.693 -8.365 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.928 -9.126 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.588 -9.869 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 106 47.364 -9.811 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.441 -8.321 -0.785 1.00 0.00 H new ATOM 1634 N ALA A 107 47.268 -5.350 -4.393 1.00 0.00 N ATOM 1635 CA ALA A 107 47.636 -4.315 -5.350 1.00 0.00 C ATOM 1636 C ALA A 107 48.230 -3.113 -4.622 1.00 0.00 C ATOM 1637 O ALA A 107 49.364 -2.705 -4.885 1.00 0.00 O ATOM 1638 CB ALA A 107 46.406 -3.876 -6.146 1.00 0.00 C ATOM 0 H ALA A 107 46.321 -5.713 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 107 48.381 -4.722 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.691 -3.102 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 107 45.996 -4.731 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.653 -3.481 -5.464 1.00 0.00 H new ATOM 1644 N LEU A 108 47.454 -2.556 -3.698 1.00 0.00 N ATOM 1645 CA LEU A 108 47.903 -1.406 -2.926 1.00 0.00 C ATOM 1646 C LEU A 108 49.319 -1.640 -2.413 1.00 0.00 C ATOM 1647 O LEU A 108 50.173 -0.758 -2.496 1.00 0.00 O ATOM 1648 CB LEU A 108 46.958 -1.173 -1.743 1.00 0.00 C ATOM 1649 CG LEU A 108 46.442 0.268 -1.768 1.00 0.00 C ATOM 1650 CD1 LEU A 108 47.620 1.236 -1.641 1.00 0.00 C ATOM 1651 CD2 LEU A 108 45.710 0.526 -3.087 1.00 0.00 C ATOM 0 H LEU A 108 46.515 -2.882 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 108 47.899 -0.526 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 108 46.121 -1.870 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.480 -1.366 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 108 45.755 0.421 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 108 47.252 2.262 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 108 48.141 1.054 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 108 48.308 1.083 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 108 45.343 1.552 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 108 46.396 0.372 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 108 44.869 -0.162 -3.177 1.00 0.00 H new ATOM 1663 N SER A 109 49.563 -2.838 -1.891 1.00 0.00 N ATOM 1664 CA SER A 109 50.885 -3.173 -1.376 1.00 0.00 C ATOM 1665 C SER A 109 51.908 -3.155 -2.502 1.00 0.00 C ATOM 1666 O SER A 109 52.999 -2.605 -2.353 1.00 0.00 O ATOM 1667 CB SER A 109 50.862 -4.553 -0.718 1.00 0.00 C ATOM 1668 OG SER A 109 52.048 -4.730 0.045 1.00 0.00 O ATOM 0 H SER A 109 48.872 -3.584 -1.814 1.00 0.00 H new ATOM 0 HA SER A 109 51.166 -2.429 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.986 -4.648 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 109 50.786 -5.330 -1.479 1.00 0.00 H new ATOM 0 HG SER A 109 52.035 -5.613 0.469 1.00 0.00 H new ATOM 1674 N LEU A 110 51.543 -3.743 -3.633 1.00 0.00 N ATOM 1675 CA LEU A 110 52.437 -3.766 -4.779 1.00 0.00 C ATOM 1676 C LEU A 110 52.974 -2.365 -5.023 1.00 0.00 C ATOM 1677 O LEU A 110 53.992 -2.177 -5.691 1.00 0.00 O ATOM 1678 CB LEU A 110 51.681 -4.246 -6.016 1.00 0.00 C ATOM 1679 CG LEU A 110 52.612 -5.081 -6.896 1.00 0.00 C ATOM 1680 CD1 LEU A 110 51.867 -5.511 -8.160 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.831 -4.243 -7.286 1.00 0.00 C ATOM 0 H LEU A 110 50.645 -4.205 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 110 53.264 -4.447 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.817 -4.840 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.303 -3.392 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 110 52.937 -5.964 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 110 52.530 -6.106 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 110 50.996 -6.106 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 110 51.543 -4.627 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 110 54.495 -4.837 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.505 -3.361 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 110 54.362 -3.933 -6.386 1.00 0.00 H new ATOM 1693 N ALA A 111 52.274 -1.384 -4.468 1.00 0.00 N ATOM 1694 CA ALA A 111 52.676 0.010 -4.622 1.00 0.00 C ATOM 1695 C ALA A 111 53.687 0.399 -3.551 1.00 0.00 C ATOM 1696 O ALA A 111 54.801 0.823 -3.860 1.00 0.00 O ATOM 1697 CB ALA A 111 51.451 0.920 -4.523 1.00 0.00 C ATOM 0 H ALA A 111 51.431 -1.525 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 111 53.139 0.128 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.759 1.959 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.742 0.662 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.978 0.788 -3.550 1.00 0.00 H new ATOM 1703 N GLU A 112 53.295 0.250 -2.291 1.00 0.00 N ATOM 1704 CA GLU A 112 54.181 0.589 -1.186 1.00 0.00 C ATOM 1705 C GLU A 112 55.562 -0.017 -1.410 1.00 0.00 C ATOM 1706 O GLU A 112 56.542 0.405 -0.797 1.00 0.00 O ATOM 1707 CB GLU A 112 53.598 0.071 0.131 1.00 0.00 C ATOM 1708 CG GLU A 112 54.387 0.654 1.304 1.00 0.00 C ATOM 1709 CD GLU A 112 53.964 -0.019 2.606 1.00 0.00 C ATOM 1710 OE1 GLU A 112 52.774 -0.213 2.790 1.00 0.00 O ATOM 1711 OE2 GLU A 112 54.837 -0.330 3.399 1.00 0.00 O ATOM 0 H GLU A 112 52.379 -0.100 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 112 54.275 1.674 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 112 52.548 0.351 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 112 53.640 -1.018 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 112 55.455 0.510 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 112 54.216 1.729 1.369 1.00 0.00 H new ATOM 1718 N SER A 113 55.632 -1.007 -2.296 1.00 0.00 N ATOM 1719 CA SER A 113 56.902 -1.659 -2.593 1.00 0.00 C ATOM 1720 C SER A 113 57.610 -0.956 -3.746 1.00 0.00 C ATOM 1721 O SER A 113 58.761 -0.540 -3.614 1.00 0.00 O ATOM 1722 CB SER A 113 56.671 -3.129 -2.947 1.00 0.00 C ATOM 1723 OG SER A 113 57.764 -3.903 -2.470 1.00 0.00 O ATOM 0 H SER A 113 54.833 -1.371 -2.815 1.00 0.00 H new ATOM 0 HA SER A 113 57.533 -1.599 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 113 55.740 -3.480 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 113 56.572 -3.244 -4.026 1.00 0.00 H new ATOM 0 HG SER A 113 57.619 -4.846 -2.693 1.00 0.00 H new ATOM 1902 N GLU A 125 75.979 -0.036 -2.645 1.00 0.00 N ATOM 1903 CA GLU A 125 76.398 1.042 -1.757 1.00 0.00 C ATOM 1904 C GLU A 125 77.612 0.621 -0.933 1.00 0.00 C ATOM 1905 O GLU A 125 78.529 1.412 -0.713 1.00 0.00 O ATOM 1906 CB GLU A 125 75.249 1.425 -0.819 1.00 0.00 C ATOM 1907 CG GLU A 125 74.637 0.162 -0.205 1.00 0.00 C ATOM 1908 CD GLU A 125 75.389 -0.218 1.066 1.00 0.00 C ATOM 1909 OE1 GLU A 125 76.148 0.606 1.550 1.00 0.00 O ATOM 1910 OE2 GLU A 125 75.195 -1.327 1.535 1.00 0.00 O ATOM 0 HA GLU A 125 76.670 1.903 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 125 75.615 2.083 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 125 74.488 1.979 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 125 73.585 0.332 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 125 74.680 -0.658 -0.922 1.00 0.00 H new ATOM 1917 N GLU A 126 77.609 -0.628 -0.479 1.00 0.00 N ATOM 1918 CA GLU A 126 78.714 -1.143 0.324 1.00 0.00 C ATOM 1919 C GLU A 126 80.042 -0.975 -0.408 1.00 0.00 C ATOM 1920 O GLU A 126 80.993 -0.412 0.134 1.00 0.00 O ATOM 1921 CB GLU A 126 78.488 -2.624 0.630 1.00 0.00 C ATOM 1922 CG GLU A 126 79.547 -3.110 1.622 1.00 0.00 C ATOM 1923 CD GLU A 126 78.881 -3.852 2.776 1.00 0.00 C ATOM 1924 OE1 GLU A 126 78.012 -3.270 3.405 1.00 0.00 O ATOM 1925 OE2 GLU A 126 79.250 -4.990 3.014 1.00 0.00 O ATOM 0 H GLU A 126 76.860 -1.299 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 126 78.752 -0.576 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 126 77.491 -2.772 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 126 78.541 -3.208 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 126 80.255 -3.767 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 126 80.115 -2.262 2.004 1.00 0.00 H new ATOM 1932 N GLN A 127 80.101 -1.472 -1.639 1.00 0.00 N ATOM 1933 CA GLN A 127 81.320 -1.377 -2.434 1.00 0.00 C ATOM 1934 C GLN A 127 81.759 0.077 -2.573 1.00 0.00 C ATOM 1935 O GLN A 127 82.945 0.364 -2.735 1.00 0.00 O ATOM 1936 CB GLN A 127 81.084 -1.978 -3.821 1.00 0.00 C ATOM 1937 CG GLN A 127 80.873 -3.488 -3.697 1.00 0.00 C ATOM 1938 CD GLN A 127 82.109 -4.141 -3.085 1.00 0.00 C ATOM 1939 OE1 GLN A 127 83.225 -3.657 -3.275 1.00 0.00 O ATOM 1940 NE2 GLN A 127 81.975 -5.216 -2.357 1.00 0.00 N ATOM 0 H GLN A 127 79.325 -1.942 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 127 82.108 -1.933 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 127 80.213 -1.516 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 127 81.937 -1.772 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 127 80.000 -3.691 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 127 80.674 -3.917 -4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 127 81.049 -5.614 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 127 82.796 -5.658 -1.944 1.00 0.00 H new ATOM 1949 N ALA A 128 80.796 0.990 -2.508 1.00 0.00 N ATOM 1950 CA ALA A 128 81.097 2.411 -2.628 1.00 0.00 C ATOM 1951 C ALA A 128 81.782 2.924 -1.364 1.00 0.00 C ATOM 1952 O ALA A 128 83.009 2.996 -1.297 1.00 0.00 O ATOM 1953 CB ALA A 128 79.809 3.200 -2.869 1.00 0.00 C ATOM 0 H ALA A 128 79.808 0.774 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 128 81.771 2.549 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 128 80.043 4.261 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 128 79.337 2.855 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 128 79.127 3.048 -2.032 1.00 0.00 H new ATOM 1959 N ILE A 129 80.979 3.278 -0.364 1.00 0.00 N ATOM 1960 CA ILE A 129 81.515 3.783 0.896 1.00 0.00 C ATOM 1961 C ILE A 129 82.918 3.240 1.143 1.00 0.00 C ATOM 1962 O ILE A 129 83.797 3.958 1.619 1.00 0.00 O ATOM 1963 CB ILE A 129 80.599 3.376 2.051 1.00 0.00 C ATOM 1964 CG1 ILE A 129 79.139 3.582 1.641 1.00 0.00 C ATOM 1965 CG2 ILE A 129 80.909 4.235 3.278 1.00 0.00 C ATOM 1966 CD1 ILE A 129 78.256 3.617 2.889 1.00 0.00 C ATOM 0 H ILE A 129 79.961 3.225 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 129 81.567 4.870 0.835 1.00 0.00 H new ATOM 0 HB ILE A 129 80.765 2.326 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 129 79.035 4.513 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 129 78.819 2.777 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 129 80.256 3.944 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 129 81.949 4.089 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 129 80.744 5.285 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 129 77.217 3.764 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 129 78.351 2.675 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 129 78.570 4.438 3.534 1.00 0.00 H new ATOM 1978 N SER A 130 83.122 1.968 0.818 1.00 0.00 N ATOM 1979 CA SER A 130 84.424 1.339 1.012 1.00 0.00 C ATOM 1980 C SER A 130 85.486 2.027 0.160 1.00 0.00 C ATOM 1981 O SER A 130 86.378 2.695 0.683 1.00 0.00 O ATOM 1982 CB SER A 130 84.351 -0.140 0.637 1.00 0.00 C ATOM 1983 OG SER A 130 83.745 -0.865 1.699 1.00 0.00 O ATOM 0 H SER A 130 82.409 1.356 0.422 1.00 0.00 H new ATOM 0 HA SER A 130 84.698 1.436 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 130 83.775 -0.266 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 130 85.351 -0.527 0.441 1.00 0.00 H new ATOM 0 HG SER A 130 82.783 -0.946 1.532 1.00 0.00 H new ATOM 1989 N ARG A 131 85.383 1.858 -1.154 1.00 0.00 N ATOM 1990 CA ARG A 131 86.340 2.465 -2.073 1.00 0.00 C ATOM 1991 C ARG A 131 86.635 3.907 -1.669 1.00 0.00 C ATOM 1992 O ARG A 131 87.698 4.443 -1.980 1.00 0.00 O ATOM 1993 CB ARG A 131 85.783 2.434 -3.499 1.00 0.00 C ATOM 1994 CG ARG A 131 86.915 2.670 -4.504 1.00 0.00 C ATOM 1995 CD ARG A 131 86.718 4.024 -5.188 1.00 0.00 C ATOM 1996 NE ARG A 131 85.700 3.923 -6.228 1.00 0.00 N ATOM 1997 CZ ARG A 131 86.031 3.729 -7.501 1.00 0.00 C ATOM 1998 NH1 ARG A 131 87.287 3.618 -7.842 1.00 0.00 N ATOM 1999 NH2 ARG A 131 85.100 3.650 -8.412 1.00 0.00 N ATOM 0 H ARG A 131 84.651 1.309 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 131 87.268 1.894 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 131 85.307 1.473 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 131 85.015 3.199 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 131 87.878 2.645 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 131 86.927 1.873 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 131 86.422 4.771 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 131 87.659 4.360 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 131 84.715 4.003 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 131 88.016 3.680 -7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 131 87.539 3.469 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 131 84.119 3.737 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 131 85.354 3.501 -9.389 1.00 0.00 H new ATOM 2013 N VAL A 132 85.687 4.528 -0.975 1.00 0.00 N ATOM 2014 CA VAL A 132 85.856 5.910 -0.535 1.00 0.00 C ATOM 2015 C VAL A 132 86.814 5.984 0.651 1.00 0.00 C ATOM 2016 O VAL A 132 87.881 6.598 0.563 1.00 0.00 O ATOM 2017 CB VAL A 132 84.500 6.500 -0.143 1.00 0.00 C ATOM 2018 CG1 VAL A 132 84.668 7.979 0.211 1.00 0.00 C ATOM 2019 CG2 VAL A 132 83.529 6.363 -1.320 1.00 0.00 C ATOM 0 H VAL A 132 84.800 4.101 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 132 86.277 6.486 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 132 84.105 5.965 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 132 83.701 8.398 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 132 85.361 8.077 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 132 85.062 8.517 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 132 82.561 6.782 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 132 83.925 6.900 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 132 83.409 5.309 -1.572 1.00 0.00 H new ATOM 2029 N LEU A 133 86.434 5.353 1.759 1.00 0.00 N ATOM 2030 CA LEU A 133 87.280 5.355 2.946 1.00 0.00 C ATOM 2031 C LEU A 133 88.742 5.256 2.532 1.00 0.00 C ATOM 2032 O LEU A 133 89.556 6.112 2.875 1.00 0.00 O ATOM 2033 CB LEU A 133 86.918 4.179 3.855 1.00 0.00 C ATOM 2034 CG LEU A 133 85.751 4.576 4.762 1.00 0.00 C ATOM 2035 CD1 LEU A 133 85.106 3.316 5.344 1.00 0.00 C ATOM 2036 CD2 LEU A 133 86.266 5.461 5.902 1.00 0.00 C ATOM 0 H LEU A 133 85.558 4.841 1.859 1.00 0.00 H new ATOM 0 HA LEU A 133 87.121 6.284 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 133 86.647 3.311 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 133 87.780 3.893 4.458 1.00 0.00 H new ATOM 0 HG LEU A 133 85.012 5.128 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 133 84.275 3.598 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 133 84.738 2.688 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 133 85.845 2.764 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 133 85.434 5.743 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 133 87.006 4.911 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 133 86.724 6.359 5.487 1.00 0.00 H new ATOM 2048 N GLU A 134 89.061 4.210 1.775 1.00 0.00 N ATOM 2049 CA GLU A 134 90.422 4.012 1.297 1.00 0.00 C ATOM 2050 C GLU A 134 90.881 5.235 0.527 1.00 0.00 C ATOM 2051 O GLU A 134 92.015 5.667 0.682 1.00 0.00 O ATOM 2052 CB GLU A 134 90.488 2.779 0.394 1.00 0.00 C ATOM 2053 CG GLU A 134 91.918 2.594 -0.114 1.00 0.00 C ATOM 2054 CD GLU A 134 91.993 1.375 -1.026 1.00 0.00 C ATOM 2055 OE1 GLU A 134 92.215 0.290 -0.515 1.00 0.00 O ATOM 2056 OE2 GLU A 134 91.828 1.544 -2.223 1.00 0.00 O ATOM 0 H GLU A 134 88.399 3.492 1.482 1.00 0.00 H new ATOM 0 HA GLU A 134 91.078 3.860 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 134 90.169 1.894 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 134 89.804 2.894 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 134 92.238 3.484 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 134 92.599 2.471 0.728 1.00 0.00 H new ATOM 2063 N ALA A 135 89.993 5.795 -0.291 1.00 0.00 N ATOM 2064 CA ALA A 135 90.339 6.982 -1.063 1.00 0.00 C ATOM 2065 C ALA A 135 91.243 7.885 -0.236 1.00 0.00 C ATOM 2066 O ALA A 135 92.388 8.142 -0.606 1.00 0.00 O ATOM 2067 CB ALA A 135 89.073 7.744 -1.460 1.00 0.00 C ATOM 0 H ALA A 135 89.043 5.452 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 135 90.863 6.674 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 135 89.346 8.628 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 135 88.435 7.100 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 135 88.535 8.048 -0.562 1.00 0.00 H new ATOM 2073 N SER A 136 90.727 8.345 0.899 1.00 0.00 N ATOM 2074 CA SER A 136 91.508 9.199 1.785 1.00 0.00 C ATOM 2075 C SER A 136 92.542 8.353 2.517 1.00 0.00 C ATOM 2076 O SER A 136 93.408 8.876 3.215 1.00 0.00 O ATOM 2077 CB SER A 136 90.590 9.882 2.800 1.00 0.00 C ATOM 2078 OG SER A 136 90.978 9.501 4.113 1.00 0.00 O ATOM 0 H SER A 136 89.782 8.143 1.224 1.00 0.00 H new ATOM 0 HA SER A 136 92.012 9.964 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 136 90.649 10.965 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 136 89.553 9.599 2.618 1.00 0.00 H new ATOM 0 HG SER A 136 90.393 9.938 4.767 1.00 0.00 H new