USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 109 SER OG : rot 45:sc= 0.965 USER MOD Set 1.2: A 126 ASN : amide:sc= -0.428 X(o=0.54,f=0.45) USER MOD Set 2.1: A 73 ASN :FLIP amide:sc= -0.0918 X(o=-0.22,f=-0.085) USER MOD Set 2.2: A 128 ASN :FLIP amide:sc= 0.00719 F(o=-1,f=-0.085) USER MOD Set 3.1: A 41 ASN :FLIP amide:sc= 0 F(o=-0.95,f=-0.0073) USER MOD Set 3.2: A 103 LYS NZ :NH3+ -119:sc=-0.00734 (180deg=-1.94!) USER MOD Single : A 25 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.8!) USER MOD Single : A 29 SER OG : rot 96:sc= 1.01 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.692 (180deg=-1.71) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -44:sc= 0.521 USER MOD Single : A 38 CYS SG : rot -81:sc= -0.0513 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 62 GLN : amide:sc= -0.877 X(o=-0.88,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.58) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= -1.54 (180deg=-3.81!) USER MOD Single : A 98 THR OG1 : rot 30:sc= 0.347 USER MOD Single : A 101 MET CE :methyl 173:sc= -3.01 (180deg=-3.3) USER MOD Single : A 104 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 154:sc= -0.098 (180deg=-0.324) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 125 ASN : amide:sc= -0.716 K(o=-0.72,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 -0.185 -27.588 -14.741 1.00 52.50 N ATOM 317 CA ILE A 23 -1.575 -27.574 -15.180 1.00 71.21 C ATOM 318 C ILE A 23 -2.001 -28.944 -15.698 1.00 10.42 C ATOM 319 O ILE A 23 -1.209 -29.661 -16.309 1.00 53.52 O ATOM 320 CB ILE A 23 -1.807 -26.526 -16.283 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.232 -25.172 -15.859 1.00 13.10 C ATOM 322 CG2 ILE A 23 -3.291 -26.403 -16.594 1.00 73.31 C ATOM 323 CD1 ILE A 23 -1.294 -24.123 -16.947 1.00 74.23 C ATOM 0 HA ILE A 23 -2.178 -27.313 -14.310 1.00 71.21 H new ATOM 0 HB ILE A 23 -1.292 -26.852 -17.187 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -1.777 -24.812 -14.986 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.194 -25.306 -15.553 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -3.438 -25.658 -17.376 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.673 -27.366 -16.934 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.827 -26.097 -15.696 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.870 -23.190 -16.577 1.00 74.23 H new ATOM 0 HD12 ILE A 23 -0.725 -24.462 -17.812 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -2.332 -23.960 -17.237 1.00 74.23 H new ATOM 335 N GLU A 24 -3.258 -29.299 -15.452 1.00 71.32 N ATOM 336 CA GLU A 24 -3.789 -30.583 -15.894 1.00 63.12 C ATOM 337 C GLU A 24 -4.754 -30.399 -17.063 1.00 45.22 C ATOM 338 O GLU A 24 -5.345 -29.333 -17.230 1.00 40.33 O ATOM 339 CB GLU A 24 -4.498 -31.293 -14.740 1.00 43.20 C ATOM 340 CG GLU A 24 -5.987 -30.997 -14.667 1.00 24.25 C ATOM 341 CD GLU A 24 -6.555 -31.197 -13.275 1.00 12.10 C ATOM 342 OE1 GLU A 24 -5.819 -30.952 -12.295 1.00 52.34 O ATOM 343 OE2 GLU A 24 -7.731 -31.597 -13.164 1.00 51.31 O ATOM 0 H GLU A 24 -3.927 -28.716 -14.949 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.953 -31.197 -16.228 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -4.354 -32.369 -14.843 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -4.031 -30.998 -13.801 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -6.165 -29.969 -14.984 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -6.517 -31.643 -15.368 1.00 24.25 H new ATOM 350 N GLN A 25 -4.905 -31.445 -17.868 1.00 72.41 N ATOM 351 CA GLN A 25 -5.796 -31.398 -19.021 1.00 70.32 C ATOM 352 C GLN A 25 -7.133 -32.060 -18.703 1.00 34.23 C ATOM 353 O GLN A 25 -7.180 -33.222 -18.301 1.00 3.23 O ATOM 354 CB GLN A 25 -5.146 -32.086 -20.223 1.00 62.23 C ATOM 355 CG GLN A 25 -4.851 -33.559 -19.994 1.00 24.51 C ATOM 356 CD GLN A 25 -3.545 -33.998 -20.627 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.621 -33.200 -20.789 1.00 64.03 O ATOM 358 NE2 GLN A 25 -3.461 -35.273 -20.990 1.00 41.21 N ATOM 0 H GLN A 25 -4.422 -32.335 -17.743 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.978 -30.351 -19.265 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -5.802 -31.986 -21.087 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.217 -31.571 -20.467 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -4.815 -33.756 -18.923 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -5.667 -34.157 -20.401 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -4.251 -35.900 -20.837 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -2.607 -35.625 -21.422 1.00 41.21 H new ATOM 367 N ILE A 26 -8.215 -31.313 -18.887 1.00 31.52 N ATOM 368 CA ILE A 26 -9.552 -31.827 -18.621 1.00 43.51 C ATOM 369 C ILE A 26 -10.380 -31.898 -19.899 1.00 72.10 C ATOM 370 O ILE A 26 -9.890 -31.592 -20.986 1.00 74.50 O ATOM 371 CB ILE A 26 -10.296 -30.957 -17.590 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.437 -29.524 -18.107 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.565 -30.975 -16.256 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.824 -29.197 -18.614 1.00 44.33 C ATOM 0 H ILE A 26 -8.192 -30.349 -19.219 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.427 -32.831 -18.216 1.00 43.51 H new ATOM 0 HB ILE A 26 -11.294 -31.369 -17.441 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -10.179 -28.831 -17.306 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.718 -29.364 -18.911 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -10.103 -30.356 -15.538 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.511 -31.998 -15.884 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.556 -30.584 -16.389 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.849 -28.165 -18.964 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -12.078 -29.866 -19.436 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.546 -29.324 -17.807 1.00 44.33 H new ATOM 386 N GLY A 27 -11.639 -32.304 -19.763 1.00 34.03 N ATOM 387 CA GLY A 27 -12.514 -32.407 -20.915 1.00 51.40 C ATOM 388 C GLY A 27 -13.762 -31.559 -20.772 1.00 43.34 C ATOM 389 O GLY A 27 -14.111 -31.134 -19.669 1.00 62.43 O ATOM 0 H GLY A 27 -12.068 -32.563 -18.875 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -11.971 -32.101 -21.809 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.801 -33.449 -21.058 1.00 51.40 H new ATOM 393 N ASP A 28 -14.438 -31.310 -21.888 1.00 72.03 N ATOM 394 CA ASP A 28 -15.655 -30.506 -21.882 1.00 72.25 C ATOM 395 C ASP A 28 -16.747 -31.177 -21.055 1.00 30.43 C ATOM 396 O ASP A 28 -17.581 -30.506 -20.449 1.00 45.30 O ATOM 397 CB ASP A 28 -16.149 -30.279 -23.312 1.00 20.12 C ATOM 398 CG ASP A 28 -16.967 -31.444 -23.834 1.00 62.32 C ATOM 399 OD1 ASP A 28 -16.368 -32.488 -24.169 1.00 61.43 O ATOM 400 OD2 ASP A 28 -18.207 -31.312 -23.905 1.00 15.13 O ATOM 0 H ASP A 28 -14.164 -31.653 -22.809 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.421 -29.543 -21.429 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -16.752 -29.372 -23.345 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -15.293 -30.117 -23.967 1.00 20.12 H new ATOM 405 N SER A 29 -16.735 -32.507 -21.036 1.00 34.14 N ATOM 406 CA SER A 29 -17.726 -33.269 -20.287 1.00 40.21 C ATOM 407 C SER A 29 -17.362 -33.326 -18.806 1.00 24.42 C ATOM 408 O SER A 29 -18.230 -33.495 -17.950 1.00 3.01 O ATOM 409 CB SER A 29 -17.842 -34.687 -20.851 1.00 63.34 C ATOM 410 OG SER A 29 -16.590 -35.149 -21.330 1.00 42.24 O ATOM 0 H SER A 29 -16.050 -33.078 -21.531 1.00 34.14 H new ATOM 0 HA SER A 29 -18.688 -32.766 -20.387 1.00 40.21 H new ATOM 0 HB2 SER A 29 -18.210 -35.361 -20.077 1.00 63.34 H new ATOM 0 HB3 SER A 29 -18.572 -34.701 -21.660 1.00 63.34 H new ATOM 0 HG SER A 29 -16.148 -35.677 -20.633 1.00 42.24 H new ATOM 416 N GLU A 30 -16.074 -33.185 -18.514 1.00 3.41 N ATOM 417 CA GLU A 30 -15.595 -33.221 -17.137 1.00 21.44 C ATOM 418 C GLU A 30 -15.454 -31.811 -16.573 1.00 70.14 C ATOM 419 O GLU A 30 -15.172 -31.628 -15.388 1.00 61.05 O ATOM 420 CB GLU A 30 -14.251 -33.949 -17.060 1.00 71.22 C ATOM 421 CG GLU A 30 -14.143 -35.129 -18.012 1.00 52.14 C ATOM 422 CD GLU A 30 -15.387 -35.997 -18.008 1.00 63.22 C ATOM 423 OE1 GLU A 30 -16.038 -36.095 -16.947 1.00 62.15 O ATOM 424 OE2 GLU A 30 -15.708 -36.578 -19.066 1.00 33.44 O ATOM 0 H GLU A 30 -15.343 -33.045 -19.212 1.00 3.41 H new ATOM 0 HA GLU A 30 -16.328 -33.762 -16.539 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -13.451 -33.242 -17.279 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -14.095 -34.300 -16.040 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.964 -34.761 -19.022 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -13.280 -35.736 -17.737 1.00 52.14 H new ATOM 431 N PHE A 31 -15.651 -30.814 -17.430 1.00 51.15 N ATOM 432 CA PHE A 31 -15.545 -29.419 -17.018 1.00 15.33 C ATOM 433 C PHE A 31 -16.302 -29.178 -15.716 1.00 52.25 C ATOM 434 O PHE A 31 -15.699 -28.990 -14.660 1.00 53.02 O ATOM 435 CB PHE A 31 -16.086 -28.499 -18.114 1.00 75.15 C ATOM 436 CG PHE A 31 -16.375 -27.105 -17.638 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.349 -26.279 -17.205 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.672 -26.617 -17.624 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.612 -24.996 -16.765 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.941 -25.334 -17.186 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.909 -24.522 -16.756 1.00 13.43 C ATOM 0 H PHE A 31 -15.885 -30.946 -18.414 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.491 -29.194 -16.852 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.363 -28.454 -18.929 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.999 -28.932 -18.522 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.332 -26.643 -17.212 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.483 -27.247 -17.959 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.804 -24.364 -16.428 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.957 -24.967 -17.180 1.00 51.23 H new ATOM 0 HZ PHE A 31 -17.116 -23.519 -16.414 1.00 13.43 H new ATOM 451 N ASP A 32 -17.628 -29.182 -15.800 1.00 14.24 N ATOM 452 CA ASP A 32 -18.469 -28.964 -14.629 1.00 72.32 C ATOM 453 C ASP A 32 -18.339 -30.121 -13.643 1.00 72.42 C ATOM 454 O ASP A 32 -18.573 -29.959 -12.446 1.00 33.44 O ATOM 455 CB ASP A 32 -19.930 -28.796 -15.048 1.00 63.01 C ATOM 456 CG ASP A 32 -20.637 -30.126 -15.230 1.00 24.01 C ATOM 457 OD1 ASP A 32 -21.040 -30.726 -14.212 1.00 50.53 O ATOM 458 OD2 ASP A 32 -20.785 -30.566 -16.390 1.00 24.23 O ATOM 0 H ASP A 32 -18.143 -29.334 -16.667 1.00 14.24 H new ATOM 0 HA ASP A 32 -18.133 -28.051 -14.136 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.456 -28.208 -14.295 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.975 -28.233 -15.980 1.00 63.01 H new ATOM 463 N ASN A 33 -17.967 -31.289 -14.156 1.00 0.41 N ATOM 464 CA ASN A 33 -17.808 -32.475 -13.320 1.00 71.43 C ATOM 465 C ASN A 33 -16.856 -32.199 -12.161 1.00 5.31 C ATOM 466 O ASN A 33 -17.032 -32.724 -11.061 1.00 42.22 O ATOM 467 CB ASN A 33 -17.287 -33.646 -14.155 1.00 3.30 C ATOM 468 CG ASN A 33 -17.657 -34.990 -13.560 1.00 61.22 C ATOM 469 OD1 ASN A 33 -17.153 -35.374 -12.504 1.00 43.52 O ATOM 470 ND2 ASN A 33 -18.542 -35.714 -14.236 1.00 2.02 N ATOM 0 H ASN A 33 -17.770 -31.440 -15.145 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.784 -32.735 -12.911 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -17.690 -33.576 -15.165 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -16.203 -33.575 -14.239 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -18.829 -36.627 -13.884 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -18.934 -35.357 -15.107 1.00 2.02 H new ATOM 477 N LYS A 34 -15.848 -31.372 -12.414 1.00 61.14 N ATOM 478 CA LYS A 34 -14.867 -31.024 -11.392 1.00 61.34 C ATOM 479 C LYS A 34 -14.947 -29.540 -11.046 1.00 34.21 C ATOM 480 O LYS A 34 -14.488 -29.115 -9.986 1.00 0.52 O ATOM 481 CB LYS A 34 -13.456 -31.373 -11.869 1.00 4.45 C ATOM 482 CG LYS A 34 -13.105 -30.774 -13.220 1.00 54.12 C ATOM 483 CD LYS A 34 -12.592 -31.831 -14.183 1.00 72.43 C ATOM 484 CE LYS A 34 -11.179 -32.268 -13.827 1.00 73.13 C ATOM 485 NZ LYS A 34 -11.170 -33.274 -12.730 1.00 34.51 N ATOM 0 H LYS A 34 -15.688 -30.929 -13.319 1.00 61.14 H new ATOM 0 HA LYS A 34 -15.092 -31.601 -10.495 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.735 -31.026 -11.129 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -13.358 -32.457 -11.925 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.985 -30.291 -13.644 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -12.348 -30.001 -13.090 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -13.257 -32.695 -14.165 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.607 -31.438 -15.199 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.696 -32.688 -14.709 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.595 -31.398 -13.527 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -10.322 -33.870 -12.812 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -11.163 -32.786 -11.812 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -12.019 -33.870 -12.799 1.00 34.51 H new ATOM 499 N VAL A 35 -15.531 -28.757 -11.947 1.00 34.33 N ATOM 500 CA VAL A 35 -15.672 -27.321 -11.735 1.00 51.44 C ATOM 501 C VAL A 35 -16.879 -27.011 -10.858 1.00 12.33 C ATOM 502 O VAL A 35 -16.756 -26.362 -9.819 1.00 34.24 O ATOM 503 CB VAL A 35 -15.815 -26.569 -13.072 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.321 -25.154 -12.836 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.489 -26.552 -13.817 1.00 15.43 C ATOM 0 H VAL A 35 -15.914 -29.093 -12.831 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.766 -26.984 -11.232 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.546 -27.093 -13.688 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.416 -24.638 -13.791 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -17.294 -25.192 -12.346 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.616 -24.617 -12.202 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.608 -26.017 -14.759 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.736 -26.052 -13.208 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -14.172 -27.575 -14.018 1.00 15.43 H new ATOM 515 N THR A 36 -18.049 -27.480 -11.283 1.00 23.22 N ATOM 516 CA THR A 36 -19.280 -27.252 -10.537 1.00 25.31 C ATOM 517 C THR A 36 -19.218 -27.904 -9.160 1.00 21.25 C ATOM 518 O THR A 36 -19.977 -27.548 -8.260 1.00 61.41 O ATOM 519 CB THR A 36 -20.505 -27.796 -11.296 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.638 -26.951 -11.068 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.828 -29.216 -10.852 1.00 14.11 C ATOM 0 H THR A 36 -18.169 -28.020 -12.140 1.00 23.22 H new ATOM 0 HA THR A 36 -19.384 -26.173 -10.420 1.00 25.31 H new ATOM 0 HB THR A 36 -20.270 -27.808 -12.360 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.412 -27.303 -11.555 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.696 -29.580 -11.401 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.974 -29.863 -11.053 1.00 14.11 H new ATOM 0 HG23 THR A 36 -21.045 -29.223 -9.784 1.00 14.11 H new ATOM 529 N SER A 37 -18.307 -28.860 -9.005 1.00 14.22 N ATOM 530 CA SER A 37 -18.148 -29.564 -7.738 1.00 52.32 C ATOM 531 C SER A 37 -17.035 -28.938 -6.904 1.00 53.20 C ATOM 532 O SER A 37 -16.591 -29.512 -5.909 1.00 32.53 O ATOM 533 CB SER A 37 -17.843 -31.044 -7.987 1.00 12.31 C ATOM 534 OG SER A 37 -17.930 -31.791 -6.787 1.00 23.30 O ATOM 0 H SER A 37 -17.669 -29.164 -9.740 1.00 14.22 H new ATOM 0 HA SER A 37 -19.084 -29.481 -7.185 1.00 52.32 H new ATOM 0 HB2 SER A 37 -18.543 -31.445 -8.720 1.00 12.31 H new ATOM 0 HB3 SER A 37 -16.844 -31.146 -8.411 1.00 12.31 H new ATOM 0 HG SER A 37 -17.479 -31.305 -6.065 1.00 23.30 H new ATOM 540 N CYS A 38 -16.589 -27.757 -7.317 1.00 31.15 N ATOM 541 CA CYS A 38 -15.526 -27.050 -6.610 1.00 55.44 C ATOM 542 C CYS A 38 -15.804 -27.012 -5.111 1.00 24.01 C ATOM 543 O CYS A 38 -16.754 -26.372 -4.661 1.00 1.31 O ATOM 544 CB CYS A 38 -15.384 -25.627 -7.151 1.00 50.43 C ATOM 545 SG CYS A 38 -16.939 -24.706 -7.225 1.00 51.34 S ATOM 0 H CYS A 38 -16.947 -27.268 -8.138 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.592 -27.588 -6.775 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -14.680 -25.080 -6.524 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -14.953 -25.671 -8.151 1.00 50.43 H new ATOM 0 HG CYS A 38 -17.594 -25.046 -8.295 1.00 51.34 H new ATOM 551 N ASN A 39 -14.970 -27.704 -4.341 1.00 43.53 N ATOM 552 CA ASN A 39 -15.127 -27.751 -2.892 1.00 34.53 C ATOM 553 C ASN A 39 -14.244 -26.707 -2.215 1.00 40.14 C ATOM 554 O ASN A 39 -14.157 -26.653 -0.989 1.00 34.52 O ATOM 555 CB ASN A 39 -14.781 -29.145 -2.366 1.00 62.21 C ATOM 556 CG ASN A 39 -15.938 -30.116 -2.500 1.00 2.12 C ATOM 557 OD1 ASN A 39 -16.996 -29.924 -1.901 1.00 62.30 O ATOM 558 ND2 ASN A 39 -15.740 -31.167 -3.288 1.00 54.11 N ATOM 0 H ASN A 39 -14.178 -28.240 -4.697 1.00 43.53 H new ATOM 0 HA ASN A 39 -16.168 -27.529 -2.657 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -13.920 -29.533 -2.910 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -14.490 -29.073 -1.318 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -16.482 -31.855 -3.416 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -14.846 -31.286 -3.765 1.00 54.11 H new ATOM 565 N ASP A 40 -13.593 -25.877 -3.024 1.00 45.34 N ATOM 566 CA ASP A 40 -12.718 -24.832 -2.503 1.00 20.02 C ATOM 567 C ASP A 40 -13.064 -23.479 -3.116 1.00 50.34 C ATOM 568 O ASP A 40 -12.418 -22.473 -2.828 1.00 73.13 O ATOM 569 CB ASP A 40 -11.254 -25.176 -2.787 1.00 44.11 C ATOM 570 CG ASP A 40 -10.723 -26.254 -1.864 1.00 41.31 C ATOM 571 OD1 ASP A 40 -10.694 -26.023 -0.637 1.00 0.11 O ATOM 572 OD2 ASP A 40 -10.335 -27.329 -2.367 1.00 41.24 O ATOM 0 H ASP A 40 -13.655 -25.907 -4.042 1.00 45.34 H new ATOM 0 HA ASP A 40 -12.866 -24.771 -1.425 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -11.156 -25.506 -3.821 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -10.645 -24.278 -2.680 1.00 44.11 H new ATOM 577 N ASN A 41 -14.088 -23.463 -3.964 1.00 64.15 N ATOM 578 CA ASN A 41 -14.518 -22.233 -4.619 1.00 33.45 C ATOM 579 C ASN A 41 -13.339 -21.529 -5.283 1.00 33.24 C ATOM 580 O ASN A 41 -13.316 -20.302 -5.388 1.00 50.23 O ATOM 581 CB ASN A 41 -15.182 -21.298 -3.606 1.00 65.20 C ATOM 582 CG ASN A 41 -16.483 -21.859 -3.065 1.00 23.13 C ATOM 583 OD1 ASN A 41 -17.356 -22.298 -3.964 1.00 25.31 O flip ATOM 584 ND2 ASN A 41 -16.698 -21.899 -1.853 1.00 63.34 N flip ATOM 0 H ASN A 41 -14.635 -24.287 -4.213 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.242 -22.495 -5.391 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.496 -21.118 -2.779 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -15.374 -20.334 -4.077 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -15.997 -21.550 -1.199 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -17.577 -22.281 -1.503 1.00 63.34 H new ATOM 591 N ILE A 42 -12.364 -22.313 -5.730 1.00 30.15 N ATOM 592 CA ILE A 42 -11.184 -21.764 -6.385 1.00 31.32 C ATOM 593 C ILE A 42 -11.501 -21.322 -7.810 1.00 41.34 C ATOM 594 O ILE A 42 -12.177 -22.031 -8.556 1.00 12.51 O ATOM 595 CB ILE A 42 -10.033 -22.788 -6.422 1.00 40.33 C ATOM 596 CG1 ILE A 42 -9.649 -23.207 -5.001 1.00 31.15 C ATOM 597 CG2 ILE A 42 -8.831 -22.208 -7.152 1.00 3.31 C ATOM 598 CD1 ILE A 42 -8.953 -24.549 -4.935 1.00 74.15 C ATOM 0 H ILE A 42 -12.368 -23.330 -5.650 1.00 30.15 H new ATOM 0 HA ILE A 42 -10.872 -20.899 -5.800 1.00 31.32 H new ATOM 0 HB ILE A 42 -10.370 -23.672 -6.963 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -8.997 -22.447 -4.570 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -10.548 -23.242 -4.386 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.026 -22.943 -7.170 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.113 -21.954 -8.174 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.491 -21.310 -6.636 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -8.710 -24.782 -3.898 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.611 -25.320 -5.336 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.036 -24.513 -5.523 1.00 74.15 H new ATOM 610 N LEU A 43 -11.008 -20.146 -8.181 1.00 40.54 N ATOM 611 CA LEU A 43 -11.236 -19.608 -9.518 1.00 63.50 C ATOM 612 C LEU A 43 -10.563 -20.476 -10.577 1.00 24.21 C ATOM 613 O LEU A 43 -9.340 -20.461 -10.720 1.00 62.32 O ATOM 614 CB LEU A 43 -10.712 -18.174 -9.609 1.00 50.44 C ATOM 615 CG LEU A 43 -11.244 -17.197 -8.560 1.00 62.42 C ATOM 616 CD1 LEU A 43 -10.163 -16.868 -7.542 1.00 51.24 C ATOM 617 CD2 LEU A 43 -11.759 -15.929 -9.224 1.00 42.21 C ATOM 0 H LEU A 43 -10.448 -19.546 -7.575 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.310 -19.608 -9.704 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -9.625 -18.200 -9.534 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -10.954 -17.782 -10.597 1.00 50.44 H new ATOM 0 HG LEU A 43 -12.075 -17.671 -8.037 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -10.559 -16.171 -6.803 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -9.842 -17.783 -7.043 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.312 -16.414 -8.049 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -12.134 -15.246 -8.462 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -10.948 -15.451 -9.773 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -12.565 -16.181 -9.913 1.00 42.21 H new ATOM 629 N ILE A 44 -11.369 -21.230 -11.317 1.00 21.31 N ATOM 630 CA ILE A 44 -10.852 -22.101 -12.365 1.00 65.53 C ATOM 631 C ILE A 44 -10.628 -21.329 -13.661 1.00 4.02 C ATOM 632 O ILE A 44 -11.581 -20.926 -14.328 1.00 24.12 O ATOM 633 CB ILE A 44 -11.806 -23.279 -12.640 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.982 -24.126 -11.378 1.00 74.33 C ATOM 635 CG2 ILE A 44 -11.279 -24.129 -13.787 1.00 30.21 C ATOM 636 CD1 ILE A 44 -13.291 -23.878 -10.662 1.00 1.45 C ATOM 0 H ILE A 44 -12.383 -21.255 -11.210 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.899 -22.492 -12.009 1.00 65.53 H new ATOM 0 HB ILE A 44 -12.780 -22.881 -12.926 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.918 -25.181 -11.646 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -11.158 -23.920 -10.694 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -11.963 -24.958 -13.970 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -11.200 -23.518 -14.686 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -10.296 -24.521 -13.527 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -13.348 -24.512 -9.777 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -13.349 -22.832 -10.363 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -14.121 -24.111 -11.329 1.00 1.45 H new ATOM 648 N LEU A 45 -9.362 -21.128 -14.012 1.00 43.35 N ATOM 649 CA LEU A 45 -9.012 -20.407 -15.230 1.00 3.23 C ATOM 650 C LEU A 45 -8.800 -21.371 -16.393 1.00 11.21 C ATOM 651 O LEU A 45 -7.760 -22.024 -16.489 1.00 74.13 O ATOM 652 CB LEU A 45 -7.750 -19.572 -15.007 1.00 44.40 C ATOM 653 CG LEU A 45 -7.957 -18.200 -14.368 1.00 62.25 C ATOM 654 CD1 LEU A 45 -6.711 -17.773 -13.606 1.00 40.02 C ATOM 655 CD2 LEU A 45 -8.316 -17.166 -15.426 1.00 41.32 C ATOM 0 H LEU A 45 -8.562 -21.454 -13.470 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.840 -19.743 -15.480 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -7.067 -20.144 -14.379 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -7.257 -19.432 -15.969 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.785 -18.271 -13.662 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -6.877 -16.793 -13.157 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -6.497 -18.500 -12.822 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -5.865 -17.720 -14.292 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -8.460 -16.195 -14.952 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -7.510 -17.098 -16.156 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -9.236 -17.464 -15.929 1.00 41.32 H new ATOM 667 N VAL A 46 -9.790 -21.453 -17.276 1.00 2.42 N ATOM 668 CA VAL A 46 -9.711 -22.334 -18.434 1.00 64.44 C ATOM 669 C VAL A 46 -9.048 -21.633 -19.614 1.00 14.45 C ATOM 670 O VAL A 46 -9.631 -20.739 -20.227 1.00 14.22 O ATOM 671 CB VAL A 46 -11.106 -22.826 -18.862 1.00 13.24 C ATOM 672 CG1 VAL A 46 -11.009 -23.688 -20.112 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.773 -23.591 -17.728 1.00 71.13 C ATOM 0 H VAL A 46 -10.657 -20.919 -17.211 1.00 2.42 H new ATOM 0 HA VAL A 46 -9.107 -23.191 -18.138 1.00 64.44 H new ATOM 0 HB VAL A 46 -11.722 -21.957 -19.095 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -12.005 -24.026 -20.399 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -10.576 -23.104 -20.924 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -10.377 -24.552 -19.910 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.758 -23.931 -18.048 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -11.161 -24.452 -17.461 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.879 -22.938 -16.862 1.00 71.13 H new ATOM 683 N ASP A 47 -7.824 -22.045 -19.928 1.00 71.33 N ATOM 684 CA ASP A 47 -7.080 -21.458 -21.037 1.00 75.44 C ATOM 685 C ASP A 47 -7.279 -22.267 -22.313 1.00 44.42 C ATOM 686 O ASP A 47 -7.672 -23.433 -22.268 1.00 2.15 O ATOM 687 CB ASP A 47 -5.592 -21.379 -20.695 1.00 2.13 C ATOM 688 CG ASP A 47 -4.953 -22.748 -20.571 1.00 51.30 C ATOM 689 OD1 ASP A 47 -4.809 -23.432 -21.606 1.00 25.30 O ATOM 690 OD2 ASP A 47 -4.593 -23.134 -19.439 1.00 35.11 O ATOM 0 H ASP A 47 -7.326 -22.783 -19.430 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.460 -20.450 -21.205 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.075 -20.808 -21.466 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -5.466 -20.836 -19.758 1.00 2.13 H new ATOM 695 N PHE A 48 -7.005 -21.641 -23.454 1.00 52.31 N ATOM 696 CA PHE A 48 -7.156 -22.303 -24.745 1.00 61.22 C ATOM 697 C PHE A 48 -5.893 -22.148 -25.586 1.00 3.21 C ATOM 698 O PHE A 48 -5.591 -21.061 -26.077 1.00 44.32 O ATOM 699 CB PHE A 48 -8.358 -21.729 -25.499 1.00 14.53 C ATOM 700 CG PHE A 48 -8.426 -22.160 -26.935 1.00 12.12 C ATOM 701 CD1 PHE A 48 -8.201 -23.482 -27.287 1.00 11.40 C ATOM 702 CD2 PHE A 48 -8.713 -21.244 -27.934 1.00 52.21 C ATOM 703 CE1 PHE A 48 -8.262 -23.880 -28.609 1.00 0.41 C ATOM 704 CE2 PHE A 48 -8.776 -21.638 -29.258 1.00 54.22 C ATOM 705 CZ PHE A 48 -8.551 -22.958 -29.595 1.00 2.15 C ATOM 0 H PHE A 48 -6.677 -20.677 -23.510 1.00 52.31 H new ATOM 0 HA PHE A 48 -7.323 -23.365 -24.564 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -9.274 -22.034 -24.993 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -8.318 -20.641 -25.456 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -7.976 -24.208 -26.520 1.00 11.40 H new ATOM 0 HD2 PHE A 48 -8.890 -20.210 -27.676 1.00 52.21 H new ATOM 0 HE1 PHE A 48 -8.084 -24.912 -28.871 1.00 0.41 H new ATOM 0 HE2 PHE A 48 -9.001 -20.914 -30.027 1.00 54.22 H new ATOM 0 HZ PHE A 48 -8.601 -23.269 -30.628 1.00 2.15 H new ATOM 884 N GLU A 60 2.428 -17.912 -22.492 1.00 12.25 N ATOM 885 CA GLU A 60 2.022 -17.154 -21.314 1.00 32.45 C ATOM 886 C GLU A 60 2.313 -17.936 -20.036 1.00 55.42 C ATOM 887 O GLU A 60 1.409 -18.411 -19.349 1.00 62.12 O ATOM 888 CB GLU A 60 0.533 -16.812 -21.388 1.00 30.34 C ATOM 889 CG GLU A 60 0.092 -16.306 -22.750 1.00 32.33 C ATOM 890 CD GLU A 60 -1.339 -15.804 -22.751 1.00 23.13 C ATOM 891 OE1 GLU A 60 -1.988 -15.861 -21.685 1.00 35.42 O ATOM 892 OE2 GLU A 60 -1.810 -15.354 -23.817 1.00 50.14 O ATOM 0 HA GLU A 60 2.599 -16.229 -21.293 1.00 32.45 H new ATOM 0 HB2 GLU A 60 -0.048 -17.699 -21.134 1.00 30.34 H new ATOM 0 HB3 GLU A 60 0.305 -16.055 -20.637 1.00 30.34 H new ATOM 0 HG2 GLU A 60 0.756 -15.501 -23.067 1.00 32.33 H new ATOM 0 HG3 GLU A 60 0.192 -17.108 -23.481 1.00 32.33 H new ATOM 899 N PRO A 61 3.607 -18.075 -19.709 1.00 14.41 N ATOM 900 CA PRO A 61 4.048 -18.799 -18.514 1.00 50.20 C ATOM 901 C PRO A 61 3.700 -18.058 -17.227 1.00 41.53 C ATOM 902 O PRO A 61 3.721 -18.639 -16.142 1.00 22.32 O ATOM 903 CB PRO A 61 5.566 -18.883 -18.690 1.00 62.02 C ATOM 904 CG PRO A 61 5.911 -17.724 -19.560 1.00 1.52 C ATOM 905 CD PRO A 61 4.739 -17.535 -20.482 1.00 3.21 C ATOM 0 HA PRO A 61 3.562 -19.770 -18.423 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.080 -18.824 -17.730 1.00 62.02 H new ATOM 0 HB3 PRO A 61 5.859 -19.826 -19.152 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.088 -16.828 -18.965 1.00 1.52 H new ATOM 0 HG3 PRO A 61 6.824 -17.917 -20.124 1.00 1.52 H new ATOM 0 HD2 PRO A 61 4.590 -16.485 -20.733 1.00 3.21 H new ATOM 0 HD3 PRO A 61 4.876 -18.071 -21.421 1.00 3.21 H new ATOM 913 N GLN A 62 3.383 -16.774 -17.356 1.00 11.15 N ATOM 914 CA GLN A 62 3.032 -15.955 -16.202 1.00 4.33 C ATOM 915 C GLN A 62 1.853 -16.557 -15.445 1.00 54.12 C ATOM 916 O GLN A 62 1.793 -16.495 -14.216 1.00 64.54 O ATOM 917 CB GLN A 62 2.694 -14.530 -16.645 1.00 70.43 C ATOM 918 CG GLN A 62 3.834 -13.834 -17.372 1.00 42.43 C ATOM 919 CD GLN A 62 3.697 -13.911 -18.880 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.614 -14.350 -19.575 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.549 -13.485 -19.393 1.00 53.33 N ATOM 0 H GLN A 62 3.362 -16.279 -18.247 1.00 11.15 H new ATOM 0 HA GLN A 62 3.893 -15.926 -15.534 1.00 4.33 H new ATOM 0 HB2 GLN A 62 1.821 -14.558 -17.297 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.419 -13.942 -15.770 1.00 70.43 H new ATOM 0 HG2 GLN A 62 3.870 -12.788 -17.067 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.780 -14.286 -17.073 1.00 42.43 H new ATOM 0 HE21 GLN A 62 1.817 -13.129 -18.779 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.399 -13.514 -20.402 1.00 53.33 H new ATOM 930 N LEU A 63 0.918 -17.141 -16.185 1.00 3.30 N ATOM 931 CA LEU A 63 -0.261 -17.755 -15.584 1.00 51.52 C ATOM 932 C LEU A 63 0.132 -18.916 -14.675 1.00 11.10 C ATOM 933 O LEU A 63 -0.375 -19.043 -13.563 1.00 50.22 O ATOM 934 CB LEU A 63 -1.216 -18.248 -16.674 1.00 63.14 C ATOM 935 CG LEU A 63 -2.137 -17.191 -17.286 1.00 4.31 C ATOM 936 CD1 LEU A 63 -3.021 -16.570 -16.216 1.00 33.34 C ATOM 937 CD2 LEU A 63 -1.323 -16.120 -17.997 1.00 44.21 C ATOM 0 H LEU A 63 0.953 -17.203 -17.203 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.765 -17.000 -14.981 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -0.624 -18.693 -17.474 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.834 -19.042 -16.256 1.00 63.14 H new ATOM 0 HG LEU A 63 -2.779 -17.677 -18.021 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -3.669 -15.820 -16.670 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -3.631 -17.345 -15.753 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -2.397 -16.098 -15.457 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -1.995 -15.377 -18.426 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -0.656 -15.637 -17.283 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -0.734 -16.578 -18.792 1.00 44.21 H new ATOM 949 N GLU A 64 1.043 -19.756 -15.158 1.00 45.21 N ATOM 950 CA GLU A 64 1.505 -20.904 -14.388 1.00 2.31 C ATOM 951 C GLU A 64 2.294 -20.454 -13.161 1.00 45.41 C ATOM 952 O GLU A 64 2.064 -20.935 -12.051 1.00 21.22 O ATOM 953 CB GLU A 64 2.372 -21.815 -15.259 1.00 23.31 C ATOM 954 CG GLU A 64 1.700 -22.237 -16.555 1.00 22.31 C ATOM 955 CD GLU A 64 2.683 -22.791 -17.568 1.00 12.53 C ATOM 956 OE1 GLU A 64 3.887 -22.871 -17.244 1.00 51.52 O ATOM 957 OE2 GLU A 64 2.250 -23.145 -18.684 1.00 32.21 O ATOM 0 H GLU A 64 1.475 -19.663 -16.077 1.00 45.21 H new ATOM 0 HA GLU A 64 0.630 -21.460 -14.052 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.304 -21.300 -15.493 1.00 23.31 H new ATOM 0 HB3 GLU A 64 2.635 -22.706 -14.689 1.00 23.31 H new ATOM 0 HG2 GLU A 64 0.943 -22.991 -16.339 1.00 22.31 H new ATOM 0 HG3 GLU A 64 1.182 -21.381 -16.987 1.00 22.31 H new ATOM 964 N LYS A 65 3.226 -19.531 -13.370 1.00 53.21 N ATOM 965 CA LYS A 65 4.049 -19.014 -12.283 1.00 34.44 C ATOM 966 C LYS A 65 3.180 -18.502 -11.139 1.00 3.12 C ATOM 967 O LYS A 65 3.370 -18.882 -9.983 1.00 2.53 O ATOM 968 CB LYS A 65 4.956 -17.891 -12.792 1.00 20.12 C ATOM 969 CG LYS A 65 5.985 -18.353 -13.809 1.00 22.54 C ATOM 970 CD LYS A 65 7.234 -17.489 -13.771 1.00 64.11 C ATOM 971 CE LYS A 65 7.987 -17.539 -15.090 1.00 75.14 C ATOM 972 NZ LYS A 65 8.833 -18.760 -15.200 1.00 55.11 N ATOM 0 H LYS A 65 3.431 -19.125 -14.283 1.00 53.21 H new ATOM 0 HA LYS A 65 4.667 -19.830 -11.909 1.00 34.44 H new ATOM 0 HB2 LYS A 65 4.339 -17.112 -13.240 1.00 20.12 H new ATOM 0 HB3 LYS A 65 5.472 -17.440 -11.944 1.00 20.12 H new ATOM 0 HG2 LYS A 65 6.253 -19.391 -13.611 1.00 22.54 H new ATOM 0 HG3 LYS A 65 5.550 -18.322 -14.808 1.00 22.54 H new ATOM 0 HD2 LYS A 65 6.958 -16.459 -13.547 1.00 64.11 H new ATOM 0 HD3 LYS A 65 7.886 -17.826 -12.966 1.00 64.11 H new ATOM 0 HE2 LYS A 65 7.276 -17.515 -15.915 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.615 -16.653 -15.184 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 9.330 -18.757 -16.113 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 9.529 -18.771 -14.427 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 8.231 -19.606 -15.136 1.00 55.11 H new ATOM 986 N LEU A 66 2.227 -17.638 -11.468 1.00 62.23 N ATOM 987 CA LEU A 66 1.326 -17.075 -10.467 1.00 42.40 C ATOM 988 C LEU A 66 0.339 -18.125 -9.969 1.00 34.31 C ATOM 989 O LEU A 66 -0.106 -18.078 -8.823 1.00 43.55 O ATOM 990 CB LEU A 66 0.568 -15.880 -11.049 1.00 35.22 C ATOM 991 CG LEU A 66 1.219 -14.511 -10.853 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.241 -14.137 -9.378 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.628 -14.503 -11.428 1.00 20.50 C ATOM 0 H LEU A 66 2.057 -17.312 -12.419 1.00 62.23 H new ATOM 0 HA LEU A 66 1.927 -16.740 -9.622 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.434 -16.046 -12.118 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.426 -15.854 -10.603 1.00 35.22 H new ATOM 0 HG LEU A 66 0.626 -13.768 -11.387 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.708 -13.160 -9.257 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.221 -14.101 -8.996 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.810 -14.882 -8.822 1.00 3.13 H new ATOM 0 HD21 LEU A 66 3.076 -13.520 -11.279 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.231 -15.257 -10.923 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.587 -14.726 -12.494 1.00 20.50 H new ATOM 1005 N ALA A 67 0.003 -19.072 -10.838 1.00 62.40 N ATOM 1006 CA ALA A 67 -0.929 -20.136 -10.486 1.00 31.15 C ATOM 1007 C ALA A 67 -0.513 -20.822 -9.188 1.00 1.14 C ATOM 1008 O ALA A 67 -1.356 -21.175 -8.365 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.022 -21.152 -11.615 1.00 20.14 C ATOM 0 H ALA A 67 0.362 -19.124 -11.791 1.00 62.40 H new ATOM 0 HA ALA A 67 -1.911 -19.689 -10.333 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.722 -21.941 -11.338 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.372 -20.658 -12.521 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.039 -21.586 -11.796 1.00 20.14 H new ATOM 1015 N GLN A 68 0.791 -21.008 -9.015 1.00 12.15 N ATOM 1016 CA GLN A 68 1.318 -21.653 -7.817 1.00 64.31 C ATOM 1017 C GLN A 68 1.398 -20.666 -6.658 1.00 50.20 C ATOM 1018 O GLN A 68 1.259 -21.046 -5.496 1.00 5.42 O ATOM 1019 CB GLN A 68 2.701 -22.244 -8.097 1.00 4.24 C ATOM 1020 CG GLN A 68 2.670 -23.462 -9.005 1.00 32.35 C ATOM 1021 CD GLN A 68 4.054 -24.009 -9.295 1.00 43.12 C ATOM 1022 OE1 GLN A 68 4.616 -24.763 -8.501 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.612 -23.630 -10.439 1.00 1.41 N ATOM 0 H GLN A 68 1.502 -20.722 -9.688 1.00 12.15 H new ATOM 0 HA GLN A 68 0.637 -22.457 -7.538 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.329 -21.478 -8.552 1.00 4.24 H new ATOM 0 HB3 GLN A 68 3.168 -22.518 -7.151 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.065 -24.241 -8.541 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.184 -23.198 -9.944 1.00 32.35 H new ATOM 0 HE21 GLN A 68 4.110 -23.003 -11.068 1.00 1.41 H new ATOM 0 HE22 GLN A 68 5.542 -23.966 -10.688 1.00 1.41 H new ATOM 1032 N GLN A 69 1.625 -19.397 -6.982 1.00 75.41 N ATOM 1033 CA GLN A 69 1.725 -18.356 -5.966 1.00 73.40 C ATOM 1034 C GLN A 69 0.368 -18.090 -5.323 1.00 43.13 C ATOM 1035 O GLN A 69 0.290 -17.634 -4.182 1.00 45.10 O ATOM 1036 CB GLN A 69 2.272 -17.066 -6.581 1.00 50.41 C ATOM 1037 CG GLN A 69 3.714 -17.180 -7.050 1.00 72.14 C ATOM 1038 CD GLN A 69 4.430 -15.844 -7.063 1.00 5.22 C ATOM 1039 OE1 GLN A 69 4.298 -15.045 -6.136 1.00 1.33 O ATOM 1040 NE2 GLN A 69 5.196 -15.592 -8.120 1.00 61.43 N ATOM 0 H GLN A 69 1.743 -19.065 -7.939 1.00 75.41 H new ATOM 0 HA GLN A 69 2.411 -18.702 -5.193 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.645 -16.782 -7.426 1.00 50.41 H new ATOM 0 HB3 GLN A 69 2.200 -16.264 -5.847 1.00 50.41 H new ATOM 0 HG2 GLN A 69 4.251 -17.869 -6.398 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.733 -17.608 -8.052 1.00 72.14 H new ATOM 0 HE21 GLN A 69 5.278 -16.282 -8.867 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.702 -14.709 -8.184 1.00 61.43 H new ATOM 1049 N TYR A 70 -0.698 -18.379 -6.062 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.052 -18.169 -5.564 1.00 13.24 C ATOM 1051 C TYR A 70 -2.901 -19.423 -5.748 1.00 13.40 C ATOM 1052 O TYR A 70 -4.129 -19.355 -5.799 1.00 60.12 O ATOM 1053 CB TYR A 70 -2.704 -16.988 -6.284 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.003 -15.669 -6.045 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -1.816 -15.183 -4.757 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -1.526 -14.911 -7.107 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -1.176 -13.980 -4.534 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -0.884 -13.707 -6.894 1.00 43.53 C ATOM 1059 CZ TYR A 70 -0.712 -13.245 -5.606 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.072 -12.046 -5.388 1.00 32.23 O ATOM 0 H TYR A 70 -0.650 -18.759 -7.007 1.00 25.32 H new ATOM 0 HA TYR A 70 -1.990 -17.948 -4.498 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -2.722 -17.191 -7.355 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -3.741 -16.903 -5.959 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -2.177 -15.756 -3.916 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -1.660 -15.270 -8.117 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -1.039 -13.616 -3.526 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -0.519 -13.131 -7.731 1.00 43.53 H new ATOM 0 HH TYR A 70 0.193 -11.656 -6.247 1.00 32.23 H new ATOM 1070 N THR A 71 -2.235 -20.570 -5.847 1.00 53.31 N ATOM 1071 CA THR A 71 -2.927 -21.841 -6.027 1.00 63.45 C ATOM 1072 C THR A 71 -3.943 -22.075 -4.915 1.00 25.02 C ATOM 1073 O THR A 71 -4.893 -22.838 -5.082 1.00 11.42 O ATOM 1074 CB THR A 71 -1.935 -23.019 -6.058 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.609 -24.216 -6.465 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.301 -23.229 -4.691 1.00 62.15 C ATOM 0 H THR A 71 -1.219 -20.645 -5.806 1.00 53.31 H new ATOM 0 HA THR A 71 -3.446 -21.787 -6.984 1.00 63.45 H new ATOM 0 HB THR A 71 -1.148 -22.783 -6.774 1.00 51.51 H new ATOM 0 HG1 THR A 71 -1.972 -24.960 -6.484 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.604 -24.066 -4.738 1.00 62.15 H new ATOM 0 HG22 THR A 71 -0.765 -22.327 -4.396 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.079 -23.445 -3.958 1.00 62.15 H new ATOM 1084 N GLU A 72 -3.735 -21.415 -3.780 1.00 42.03 N ATOM 1085 CA GLU A 72 -4.635 -21.552 -2.641 1.00 25.13 C ATOM 1086 C GLU A 72 -6.074 -21.245 -3.044 1.00 64.22 C ATOM 1087 O GLU A 72 -7.011 -21.892 -2.578 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.202 -20.622 -1.505 1.00 62.10 C ATOM 1089 CG GLU A 72 -2.955 -21.093 -0.776 1.00 10.13 C ATOM 1090 CD GLU A 72 -2.393 -20.039 0.159 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -2.637 -18.838 -0.085 1.00 54.20 O ATOM 1092 OE2 GLU A 72 -1.709 -20.414 1.134 1.00 3.33 O ATOM 0 H GLU A 72 -2.952 -20.780 -3.625 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.586 -22.584 -2.294 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.022 -19.626 -1.910 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.019 -20.532 -0.789 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.190 -21.992 -0.205 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.194 -21.369 -1.506 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.241 -20.253 -3.913 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.564 -19.859 -4.377 1.00 72.45 C ATOM 1101 C ASN A 73 -7.558 -19.602 -5.881 1.00 43.54 C ATOM 1102 O ASN A 73 -8.399 -18.866 -6.400 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.036 -18.605 -3.637 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.525 -18.630 -3.348 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.317 -18.975 -4.356 1.00 54.33 O flip ATOM 1106 ND2 ASN A 73 -9.956 -18.343 -2.231 1.00 12.25 N flip ATOM 0 H ASN A 73 -5.475 -19.708 -4.309 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.253 -20.677 -4.167 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -7.488 -18.512 -2.699 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -7.799 -17.724 -4.233 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -9.309 -18.084 -1.486 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -10.960 -18.365 -2.051 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.605 -20.213 -6.577 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.491 -20.053 -8.022 1.00 42.34 C ATOM 1115 C VAL A 74 -6.179 -21.382 -8.699 1.00 24.52 C ATOM 1116 O VAL A 74 -5.374 -22.171 -8.203 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.395 -19.034 -8.388 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.348 -18.818 -9.893 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.628 -17.718 -7.660 1.00 13.41 C ATOM 0 H VAL A 74 -5.900 -20.824 -6.164 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.454 -19.685 -8.377 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.431 -19.433 -8.072 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.568 -18.095 -10.133 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -5.131 -19.764 -10.390 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.311 -18.440 -10.237 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -4.845 -17.009 -7.930 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.599 -17.312 -7.944 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.608 -17.889 -6.584 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.821 -21.626 -9.837 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.612 -22.859 -10.586 1.00 54.30 C ATOM 1131 C LYS A 75 -6.548 -22.581 -12.084 1.00 41.22 C ATOM 1132 O LYS A 75 -6.973 -21.523 -12.548 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.734 -23.856 -10.289 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.473 -24.720 -9.067 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.277 -25.634 -9.276 1.00 22.44 C ATOM 1136 CE LYS A 75 -6.143 -26.644 -8.147 1.00 73.13 C ATOM 1137 NZ LYS A 75 -5.155 -27.711 -8.471 1.00 54.32 N ATOM 0 H LYS A 75 -7.491 -20.985 -10.261 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.660 -23.288 -10.273 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.666 -23.309 -10.144 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -7.874 -24.501 -11.156 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -7.298 -24.083 -8.200 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.357 -25.320 -8.849 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -6.381 -26.160 -10.225 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.368 -25.036 -9.341 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -5.837 -26.131 -7.235 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -7.114 -27.097 -7.948 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -5.093 -28.379 -7.677 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -5.459 -28.218 -9.327 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -4.222 -27.282 -8.636 1.00 54.32 H new ATOM 1151 N ILE A 76 -6.016 -23.539 -12.837 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.900 -23.398 -14.282 1.00 74.21 C ATOM 1153 C ILE A 76 -6.050 -24.745 -14.980 1.00 73.53 C ATOM 1154 O ILE A 76 -5.347 -25.704 -14.660 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.549 -22.774 -14.680 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.379 -21.407 -14.016 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.449 -22.650 -16.193 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -3.099 -20.701 -14.405 1.00 71.25 C ATOM 0 H ILE A 76 -5.659 -24.421 -12.469 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.705 -22.735 -14.600 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.748 -23.427 -14.334 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -5.227 -20.776 -14.280 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.400 -21.533 -12.933 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.489 -22.207 -16.459 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.531 -23.638 -16.645 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -5.255 -22.015 -16.560 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -3.046 -19.738 -13.897 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.244 -21.312 -14.116 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -3.084 -20.543 -15.483 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.970 -24.812 -15.936 1.00 44.05 N ATOM 1171 CA TYR A 77 -7.212 -26.042 -16.680 1.00 41.33 C ATOM 1172 C TYR A 77 -7.305 -25.765 -18.177 1.00 64.33 C ATOM 1173 O TYR A 77 -7.337 -24.611 -18.606 1.00 10.43 O ATOM 1174 CB TYR A 77 -8.500 -26.710 -16.194 1.00 72.10 C ATOM 1175 CG TYR A 77 -8.438 -27.167 -14.753 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -7.298 -27.775 -14.244 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -9.521 -26.989 -13.901 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -7.237 -28.194 -12.930 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -9.469 -27.403 -12.585 1.00 23.03 C ATOM 1180 CZ TYR A 77 -8.326 -28.006 -12.104 1.00 14.33 C ATOM 1181 OH TYR A 77 -8.269 -28.420 -10.793 1.00 41.31 O ATOM 0 H TYR A 77 -7.561 -24.028 -16.214 1.00 44.05 H new ATOM 0 HA TYR A 77 -6.372 -26.714 -16.505 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -9.328 -26.011 -16.309 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -8.717 -27.568 -16.830 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -6.444 -27.923 -14.888 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -10.419 -26.519 -14.275 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -6.343 -28.666 -12.551 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -10.319 -27.255 -11.936 1.00 23.03 H new ATOM 0 HH TYR A 77 -9.117 -28.213 -10.347 1.00 41.31 H new ATOM 1191 N LYS A 78 -7.347 -26.831 -18.968 1.00 23.53 N ATOM 1192 CA LYS A 78 -7.438 -26.706 -20.418 1.00 3.52 C ATOM 1193 C LYS A 78 -7.605 -28.073 -21.073 1.00 53.52 C ATOM 1194 O LYS A 78 -7.621 -29.100 -20.393 1.00 32.22 O ATOM 1195 CB LYS A 78 -6.188 -26.014 -20.970 1.00 32.21 C ATOM 1196 CG LYS A 78 -5.043 -26.969 -21.261 1.00 32.34 C ATOM 1197 CD LYS A 78 -4.674 -27.787 -20.035 1.00 31.11 C ATOM 1198 CE LYS A 78 -3.335 -28.487 -20.215 1.00 21.42 C ATOM 1199 NZ LYS A 78 -2.718 -28.846 -18.908 1.00 41.41 N ATOM 0 H LYS A 78 -7.319 -27.793 -18.629 1.00 23.53 H new ATOM 0 HA LYS A 78 -8.315 -26.101 -20.651 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -6.450 -25.485 -21.886 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -5.852 -25.264 -20.254 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -5.324 -27.638 -22.075 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -4.174 -26.404 -21.598 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -4.631 -27.136 -19.161 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -5.450 -28.528 -19.843 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -3.474 -29.389 -20.811 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -2.658 -27.838 -20.771 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -1.854 -28.284 -18.766 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -3.391 -28.647 -18.140 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -2.477 -29.858 -18.904 1.00 41.41 H new ATOM 1490 N THR A 98 -7.704 -17.813 -25.417 1.00 45.20 N ATOM 1491 CA THR A 98 -8.301 -16.969 -24.389 1.00 23.33 C ATOM 1492 C THR A 98 -8.465 -17.730 -23.079 1.00 42.13 C ATOM 1493 O THR A 98 -8.441 -18.961 -23.058 1.00 12.55 O ATOM 1494 CB THR A 98 -9.676 -16.431 -24.832 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.643 -16.093 -26.224 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.066 -15.208 -24.017 1.00 55.04 C ATOM 0 HA THR A 98 -7.622 -16.130 -24.236 1.00 23.33 H new ATOM 0 HB THR A 98 -10.419 -17.211 -24.665 1.00 62.14 H new ATOM 0 HG1 THR A 98 -9.004 -16.675 -26.687 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.040 -14.846 -24.347 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.117 -15.475 -22.962 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.321 -14.425 -24.157 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.632 -16.991 -21.987 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.802 -17.598 -20.673 1.00 43.54 C ATOM 1506 C ILE A 99 -10.116 -17.164 -20.032 1.00 65.44 C ATOM 1507 O ILE A 99 -10.446 -15.977 -20.011 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.639 -17.234 -19.731 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.297 -17.458 -20.431 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.719 -18.054 -18.452 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.103 -17.054 -19.594 1.00 74.33 C ATOM 0 H ILE A 99 -8.653 -15.971 -21.987 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.814 -18.678 -20.823 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.718 -16.179 -19.470 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -6.206 -18.512 -20.695 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.284 -16.894 -21.363 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -6.891 -17.786 -17.796 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.663 -17.849 -17.947 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.660 -19.115 -18.696 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.186 -17.241 -20.154 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -5.171 -15.993 -19.352 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.091 -17.636 -18.673 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.860 -18.130 -19.508 1.00 14.13 N ATOM 1524 CA LEU A 100 -12.138 -17.848 -18.864 1.00 74.13 C ATOM 1525 C LEU A 100 -12.143 -18.348 -17.423 1.00 51.03 C ATOM 1526 O LEU A 100 -11.681 -19.453 -17.137 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.281 -18.499 -19.646 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.173 -18.435 -21.170 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -12.433 -19.651 -21.705 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.555 -18.330 -21.798 1.00 10.22 C ATOM 0 H LEU A 100 -10.601 -19.116 -19.516 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.282 -16.768 -18.855 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -13.347 -19.546 -19.350 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -14.216 -18.024 -19.348 1.00 11.41 H new ATOM 0 HG LEU A 100 -12.605 -17.544 -21.438 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -12.366 -19.588 -22.791 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -11.429 -19.682 -21.281 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -12.972 -20.557 -21.427 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -14.459 -18.285 -22.883 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.148 -19.202 -21.522 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -15.050 -17.427 -21.440 1.00 10.22 H new ATOM 1542 N MET A 101 -12.672 -17.530 -16.520 1.00 44.04 N ATOM 1543 CA MET A 101 -12.741 -17.891 -15.109 1.00 51.33 C ATOM 1544 C MET A 101 -14.095 -18.506 -14.771 1.00 12.11 C ATOM 1545 O MET A 101 -15.137 -17.874 -14.946 1.00 52.43 O ATOM 1546 CB MET A 101 -12.494 -16.660 -14.233 1.00 34.22 C ATOM 1547 CG MET A 101 -11.030 -16.444 -13.888 1.00 12.34 C ATOM 1548 SD MET A 101 -10.804 -15.394 -12.441 1.00 53.14 S ATOM 1549 CE MET A 101 -9.073 -14.965 -12.599 1.00 41.24 C ATOM 0 H MET A 101 -13.059 -16.612 -16.740 1.00 44.04 H new ATOM 0 HA MET A 101 -11.966 -18.631 -14.911 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.872 -15.776 -14.747 1.00 34.22 H new ATOM 0 HB3 MET A 101 -13.065 -16.760 -13.310 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.557 -17.409 -13.709 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.522 -15.994 -14.741 1.00 12.34 H new ATOM 0 HE1 MET A 101 -8.813 -14.219 -11.848 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.462 -15.856 -12.453 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.888 -14.558 -13.593 1.00 41.24 H new ATOM 1559 N PHE A 102 -14.073 -19.744 -14.286 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.300 -20.445 -13.925 1.00 22.24 C ATOM 1561 C PHE A 102 -15.286 -20.842 -12.451 1.00 24.11 C ATOM 1562 O PHE A 102 -14.226 -21.079 -11.870 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.476 -21.689 -14.798 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.669 -21.377 -16.254 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -16.813 -20.728 -16.692 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -14.707 -21.731 -17.185 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -16.993 -20.439 -18.031 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -14.882 -21.445 -18.527 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.026 -20.798 -18.950 1.00 21.31 C ATOM 0 H PHE A 102 -13.220 -20.282 -14.134 1.00 41.14 H new ATOM 0 HA PHE A 102 -16.139 -19.769 -14.093 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.601 -22.329 -14.685 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.335 -22.256 -14.439 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.572 -20.445 -15.978 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -13.810 -22.236 -16.860 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -17.889 -19.933 -18.359 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -14.125 -21.728 -19.243 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.165 -20.573 -19.997 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.469 -20.912 -11.853 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.596 -21.281 -10.447 1.00 14.34 C ATOM 1581 C LYS A 103 -18.046 -21.599 -10.096 1.00 42.13 C ATOM 1582 O LYS A 103 -18.924 -20.745 -10.211 1.00 4.33 O ATOM 1583 CB LYS A 103 -16.080 -20.151 -9.553 1.00 55.11 C ATOM 1584 CG LYS A 103 -16.346 -20.374 -8.075 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.907 -19.181 -7.243 1.00 73.44 C ATOM 1586 CE LYS A 103 -17.063 -18.610 -6.435 1.00 31.03 C ATOM 1587 NZ LYS A 103 -17.577 -19.587 -5.436 1.00 61.33 N ATOM 0 H LYS A 103 -17.355 -20.718 -12.319 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.995 -22.174 -10.277 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -15.007 -20.038 -9.707 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -16.546 -19.215 -9.860 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -17.409 -20.556 -7.919 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -15.818 -21.267 -7.740 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -15.104 -19.481 -6.570 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -15.502 -18.409 -7.897 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -16.736 -17.705 -5.923 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -17.870 -18.321 -7.109 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -18.575 -19.799 -5.639 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -17.019 -20.463 -5.488 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -17.497 -19.182 -4.481 1.00 61.33 H new ATOM 1601 N ASN A 104 -18.288 -22.833 -9.666 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.632 -23.264 -9.299 1.00 62.34 C ATOM 1603 C ASN A 104 -20.575 -23.187 -10.496 1.00 50.33 C ATOM 1604 O ASN A 104 -21.789 -23.059 -10.336 1.00 40.20 O ATOM 1605 CB ASN A 104 -20.171 -22.401 -8.155 1.00 11.23 C ATOM 1606 CG ASN A 104 -21.441 -22.968 -7.551 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.575 -24.181 -7.387 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -22.380 -22.091 -7.218 1.00 61.13 N ATOM 0 H ASN A 104 -17.572 -23.552 -9.563 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.577 -24.302 -8.969 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -19.410 -22.315 -7.379 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -20.366 -21.394 -8.524 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -23.256 -22.413 -6.808 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -22.225 -21.095 -7.372 1.00 61.13 H new ATOM 1615 N GLY A 105 -20.008 -23.269 -11.695 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.811 -23.208 -12.902 1.00 3.40 C ATOM 1617 C GLY A 105 -21.093 -21.785 -13.340 1.00 72.24 C ATOM 1618 O GLY A 105 -21.898 -21.552 -14.242 1.00 44.34 O ATOM 0 H GLY A 105 -19.006 -23.377 -11.852 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.296 -23.736 -13.704 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.755 -23.727 -12.733 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.429 -20.827 -12.699 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.611 -19.419 -13.027 1.00 23.53 C ATOM 1624 C LYS A 106 -19.298 -18.792 -13.486 1.00 52.51 C ATOM 1625 O LYS A 106 -18.222 -19.345 -13.258 1.00 15.21 O ATOM 1626 CB LYS A 106 -21.155 -18.659 -11.815 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.793 -17.327 -12.169 1.00 13.01 C ATOM 1628 CD LYS A 106 -22.599 -16.768 -11.008 1.00 34.42 C ATOM 1629 CE LYS A 106 -23.094 -15.360 -11.299 1.00 12.25 C ATOM 1630 NZ LYS A 106 -23.914 -14.817 -10.180 1.00 53.44 N ATOM 0 H LYS A 106 -19.760 -21.002 -11.949 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.330 -19.352 -13.844 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -21.891 -19.282 -11.307 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -20.342 -18.487 -11.110 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -21.018 -16.615 -12.451 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -22.441 -17.452 -13.036 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -23.450 -17.419 -10.807 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -21.984 -16.760 -10.108 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -22.241 -14.705 -11.475 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -23.686 -15.365 -12.214 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -24.232 -13.856 -10.417 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -24.742 -15.428 -10.028 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -23.341 -14.788 -9.312 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.394 -17.636 -14.133 1.00 5.15 N ATOM 1645 CA LYS A 107 -18.214 -16.933 -14.623 1.00 22.41 C ATOM 1646 C LYS A 107 -17.789 -15.841 -13.647 1.00 2.12 C ATOM 1647 O LYS A 107 -18.627 -15.125 -13.096 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.492 -16.323 -15.999 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.751 -15.473 -16.043 1.00 53.43 C ATOM 1650 CD LYS A 107 -20.936 -16.258 -16.578 1.00 74.10 C ATOM 1651 CE LYS A 107 -22.243 -15.782 -15.965 1.00 71.11 C ATOM 1652 NZ LYS A 107 -23.426 -16.336 -16.681 1.00 25.43 N ATOM 0 H LYS A 107 -20.277 -17.166 -14.331 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.402 -17.655 -14.711 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -17.640 -15.711 -16.295 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -18.579 -17.125 -16.732 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -19.979 -15.106 -15.042 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -19.579 -14.599 -16.671 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -20.983 -16.155 -17.662 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -20.798 -17.318 -16.365 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -22.282 -16.078 -14.917 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -22.281 -14.693 -15.990 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -24.297 -15.988 -16.233 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -23.403 -16.033 -17.676 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -23.404 -17.375 -16.635 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.483 -15.716 -13.439 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.946 -14.708 -12.530 1.00 31.31 C ATOM 1668 C LEU A 108 -15.181 -13.635 -13.299 1.00 60.45 C ATOM 1669 O LEU A 108 -15.154 -12.471 -12.898 1.00 22.20 O ATOM 1670 CB LEU A 108 -15.028 -15.363 -11.497 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.573 -16.618 -10.814 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -17.058 -16.467 -10.526 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -15.318 -17.846 -11.676 1.00 44.43 C ATOM 0 H LEU A 108 -15.776 -16.299 -13.887 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.782 -14.234 -12.016 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -14.088 -15.619 -11.986 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.796 -14.627 -10.728 1.00 53.53 H new ATOM 0 HG LEU A 108 -15.052 -16.748 -9.866 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -17.428 -17.370 -10.040 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -17.216 -15.611 -9.870 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -17.596 -16.312 -11.461 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -15.712 -18.730 -11.175 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -15.813 -17.724 -12.639 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -14.246 -17.965 -11.832 1.00 44.43 H new ATOM 1685 N SER A 109 -14.563 -14.033 -14.406 1.00 64.12 N ATOM 1686 CA SER A 109 -13.797 -13.105 -15.231 1.00 55.15 C ATOM 1687 C SER A 109 -13.404 -13.753 -16.555 1.00 41.05 C ATOM 1688 O SER A 109 -13.600 -14.951 -16.754 1.00 33.13 O ATOM 1689 CB SER A 109 -12.545 -12.642 -14.484 1.00 52.45 C ATOM 1690 OG SER A 109 -12.783 -11.427 -13.794 1.00 54.05 O ATOM 0 H SER A 109 -14.577 -14.992 -14.753 1.00 64.12 H new ATOM 0 HA SER A 109 -14.426 -12.240 -15.443 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.235 -13.411 -13.776 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.725 -12.509 -15.190 1.00 52.45 H new ATOM 0 HG SER A 109 -13.641 -11.480 -13.324 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.849 -12.949 -17.457 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.428 -13.444 -18.763 1.00 42.33 C ATOM 1698 C GLN A 110 -11.207 -12.682 -19.265 1.00 70.12 C ATOM 1699 O GLN A 110 -11.322 -11.566 -19.772 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.572 -13.319 -19.771 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.285 -11.976 -19.720 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.492 -11.922 -20.634 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.524 -12.571 -21.680 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -16.496 -11.146 -20.244 1.00 21.42 N ATOM 0 H GLN A 110 -12.681 -11.954 -17.308 1.00 73.42 H new ATOM 0 HA GLN A 110 -12.159 -14.495 -18.657 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.178 -13.474 -20.776 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.296 -14.113 -19.586 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -14.600 -11.775 -18.696 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -13.587 -11.187 -20.000 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -16.428 -10.625 -19.370 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -17.335 -11.071 -20.819 1.00 21.42 H new ATOM 1713 N VAL A 111 -10.035 -13.293 -19.121 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.790 -12.673 -19.560 1.00 4.43 C ATOM 1715 C VAL A 111 -8.527 -12.954 -21.035 1.00 3.33 C ATOM 1716 O VAL A 111 -8.645 -14.092 -21.491 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.591 -13.172 -18.732 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.299 -12.548 -19.234 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.801 -12.869 -17.255 1.00 22.25 C ATOM 0 H VAL A 111 -9.922 -14.217 -18.704 1.00 61.10 H new ATOM 0 HA VAL A 111 -8.902 -11.599 -19.412 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.514 -14.253 -18.851 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.463 -12.912 -18.637 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -6.145 -12.820 -20.278 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.361 -11.463 -19.147 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -6.945 -13.228 -16.685 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -7.904 -11.793 -17.115 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.705 -13.369 -16.906 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.169 -11.911 -21.776 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.888 -12.047 -23.200 1.00 13.53 C ATOM 1731 C ILE A 112 -6.487 -11.544 -23.534 1.00 35.44 C ATOM 1732 O ILE A 112 -6.225 -10.342 -23.511 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.914 -11.277 -24.053 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.337 -11.610 -23.601 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.730 -11.604 -25.526 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.404 -10.843 -24.350 1.00 11.41 C ATOM 0 H ILE A 112 -8.067 -10.963 -21.414 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.957 -13.109 -23.435 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.750 -10.208 -23.916 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.510 -12.678 -23.731 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.430 -11.399 -22.536 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.462 -11.052 -26.115 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.725 -11.321 -25.839 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.871 -12.674 -25.682 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.387 -11.130 -23.977 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.256 -9.774 -24.200 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.338 -11.072 -25.414 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.589 -12.474 -23.845 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.226 -12.106 -24.181 1.00 14.23 C ATOM 1750 C GLY A 113 -3.218 -12.639 -23.182 1.00 44.34 C ATOM 1751 O GLY A 113 -3.414 -13.705 -22.602 1.00 21.13 O ATOM 0 H GLY A 113 -5.781 -13.475 -23.870 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.985 -12.486 -25.174 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.147 -11.020 -24.228 1.00 14.23 H new ATOM 1755 N ALA A 114 -2.136 -11.893 -22.981 1.00 2.12 N ATOM 1756 CA ALA A 114 -1.094 -12.297 -22.044 1.00 50.23 C ATOM 1757 C ALA A 114 -0.552 -11.096 -21.276 1.00 73.31 C ATOM 1758 O ALA A 114 0.409 -10.456 -21.703 1.00 1.34 O ATOM 1759 CB ALA A 114 0.032 -13.007 -22.781 1.00 34.24 C ATOM 0 H ALA A 114 -1.958 -11.007 -23.454 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.534 -12.987 -21.324 1.00 50.23 H new ATOM 0 HB1 ALA A 114 0.803 -13.303 -22.069 1.00 34.24 H new ATOM 0 HB2 ALA A 114 -0.361 -13.893 -23.279 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.462 -12.334 -23.523 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.175 -10.795 -20.142 1.00 11.22 N ATOM 1766 CA ASP A 115 -0.755 -9.671 -19.313 1.00 33.14 C ATOM 1767 C ASP A 115 -0.725 -10.063 -17.840 1.00 50.50 C ATOM 1768 O ASP A 115 -1.766 -10.142 -17.187 1.00 41.34 O ATOM 1769 CB ASP A 115 -1.692 -8.480 -19.518 1.00 73.33 C ATOM 1770 CG ASP A 115 -1.289 -7.276 -18.690 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -0.211 -7.323 -18.062 1.00 51.32 O ATOM 1772 OD2 ASP A 115 -2.053 -6.288 -18.668 1.00 15.43 O ATOM 0 H ASP A 115 -1.973 -11.314 -19.776 1.00 11.22 H new ATOM 0 HA ASP A 115 0.253 -9.386 -19.615 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -1.700 -8.205 -20.573 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -2.709 -8.773 -19.257 1.00 73.33 H new ATOM 1777 N ILE A 116 0.474 -10.309 -17.322 1.00 43.41 N ATOM 1778 CA ILE A 116 0.638 -10.694 -15.926 1.00 44.52 C ATOM 1779 C ILE A 116 -0.035 -9.690 -14.996 1.00 11.00 C ATOM 1780 O ILE A 116 -0.726 -10.070 -14.052 1.00 0.15 O ATOM 1781 CB ILE A 116 2.127 -10.809 -15.546 1.00 1.13 C ATOM 1782 CG1 ILE A 116 2.273 -11.085 -14.048 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.872 -9.540 -15.931 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.619 -12.376 -13.604 1.00 45.32 C ATOM 0 H ILE A 116 1.346 -10.248 -17.848 1.00 43.41 H new ATOM 0 HA ILE A 116 0.164 -11.669 -15.809 1.00 44.52 H new ATOM 0 HB ILE A 116 2.563 -11.643 -16.095 1.00 1.13 H new ATOM 0 HG12 ILE A 116 3.333 -11.118 -13.795 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.838 -10.256 -13.490 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.922 -9.637 -15.656 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.792 -9.383 -17.007 1.00 15.41 H new ATOM 0 HG23 ILE A 116 2.437 -8.689 -15.407 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.762 -12.506 -12.531 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.552 -12.339 -13.826 1.00 45.32 H new ATOM 0 HD13 ILE A 116 2.071 -13.214 -14.135 1.00 45.32 H new ATOM 1796 N SER A 117 0.171 -8.405 -15.273 1.00 21.43 N ATOM 1797 CA SER A 117 -0.416 -7.346 -14.460 1.00 43.32 C ATOM 1798 C SER A 117 -1.939 -7.394 -14.521 1.00 21.20 C ATOM 1799 O SER A 117 -2.625 -6.844 -13.659 1.00 13.41 O ATOM 1800 CB SER A 117 0.082 -5.979 -14.931 1.00 12.44 C ATOM 1801 OG SER A 117 1.498 -5.936 -14.968 1.00 62.05 O ATOM 0 H SER A 117 0.739 -8.073 -16.053 1.00 21.43 H new ATOM 0 HA SER A 117 -0.107 -7.502 -13.426 1.00 43.32 H new ATOM 0 HB2 SER A 117 -0.317 -5.765 -15.922 1.00 12.44 H new ATOM 0 HB3 SER A 117 -0.291 -5.203 -14.263 1.00 12.44 H new ATOM 0 HG SER A 117 1.791 -5.052 -15.274 1.00 62.05 H new ATOM 1807 N LYS A 118 -2.463 -8.057 -15.546 1.00 15.20 N ATOM 1808 CA LYS A 118 -3.905 -8.179 -15.721 1.00 45.15 C ATOM 1809 C LYS A 118 -4.453 -9.355 -14.919 1.00 64.05 C ATOM 1810 O LYS A 118 -5.315 -9.182 -14.058 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.246 -8.357 -17.203 1.00 45.12 C ATOM 1812 CG LYS A 118 -5.725 -8.191 -17.511 1.00 72.13 C ATOM 1813 CD LYS A 118 -6.470 -9.509 -17.389 1.00 21.24 C ATOM 1814 CE LYS A 118 -7.918 -9.373 -17.835 1.00 12.53 C ATOM 1815 NZ LYS A 118 -8.027 -9.119 -19.298 1.00 64.22 N ATOM 0 H LYS A 118 -1.910 -8.518 -16.268 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.369 -7.263 -15.354 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -3.678 -7.633 -17.787 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -3.925 -9.348 -17.525 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -6.160 -7.461 -16.828 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -5.846 -7.796 -18.520 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -5.972 -10.267 -17.993 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -6.437 -9.853 -16.355 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -8.462 -10.283 -17.583 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -8.391 -8.557 -17.289 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -8.948 -9.459 -19.642 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -7.944 -8.098 -19.480 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -7.265 -9.622 -19.795 1.00 64.22 H new ATOM 1829 N ILE A 119 -3.946 -10.550 -15.206 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.383 -11.752 -14.509 1.00 50.12 C ATOM 1831 C ILE A 119 -4.252 -11.590 -12.998 1.00 70.05 C ATOM 1832 O ILE A 119 -5.057 -12.124 -12.235 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.575 -12.985 -14.953 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.152 -12.920 -14.393 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.549 -13.083 -16.471 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -1.975 -13.685 -13.102 1.00 60.34 C ATOM 0 H ILE A 119 -3.232 -10.710 -15.917 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.431 -11.902 -14.767 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.059 -13.879 -14.559 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.459 -13.314 -15.137 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -1.883 -11.877 -14.227 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -2.974 -13.960 -16.769 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.568 -13.172 -16.847 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.086 -12.187 -16.886 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -0.943 -13.595 -12.764 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.642 -13.277 -12.343 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.212 -14.736 -13.266 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.235 -10.848 -12.575 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.000 -10.614 -11.155 1.00 1.51 C ATOM 1850 C ILE A 120 -3.997 -9.605 -10.593 1.00 62.35 C ATOM 1851 O ILE A 120 -4.392 -9.689 -9.431 1.00 43.52 O ATOM 1852 CB ILE A 120 -1.570 -10.104 -10.897 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.356 -8.752 -11.581 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.550 -11.119 -11.389 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -1.651 -7.569 -10.685 1.00 14.01 C ATOM 0 H ILE A 120 -2.561 -10.399 -13.194 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.131 -11.572 -10.651 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.435 -9.972 -9.823 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.324 -8.688 -11.926 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -1.992 -8.696 -12.465 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.456 -10.745 -11.200 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -0.691 -12.062 -10.861 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -0.683 -11.279 -12.459 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -1.478 -6.644 -11.235 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -2.691 -7.609 -10.360 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -0.997 -7.601 -9.814 1.00 14.01 H new ATOM 1867 N SER A 121 -4.399 -8.651 -11.427 1.00 0.12 N ATOM 1868 CA SER A 121 -5.348 -7.624 -11.014 1.00 73.21 C ATOM 1869 C SER A 121 -6.742 -8.217 -10.824 1.00 61.43 C ATOM 1870 O SER A 121 -7.466 -7.841 -9.904 1.00 43.23 O ATOM 1871 CB SER A 121 -5.396 -6.499 -12.049 1.00 52.11 C ATOM 1872 OG SER A 121 -6.640 -5.820 -12.006 1.00 1.41 O ATOM 0 H SER A 121 -4.082 -8.568 -12.393 1.00 0.12 H new ATOM 0 HA SER A 121 -5.013 -7.216 -10.060 1.00 73.21 H new ATOM 0 HB2 SER A 121 -4.586 -5.794 -11.862 1.00 52.11 H new ATOM 0 HB3 SER A 121 -5.237 -6.910 -13.046 1.00 52.11 H new ATOM 0 HG SER A 121 -6.645 -5.105 -12.676 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.108 -9.145 -11.702 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.414 -9.789 -11.632 1.00 61.12 C ATOM 1880 C GLU A 122 -8.442 -10.843 -10.530 1.00 33.11 C ATOM 1881 O GLU A 122 -9.308 -10.818 -9.655 1.00 50.32 O ATOM 1882 CB GLU A 122 -8.763 -10.431 -12.976 1.00 22.41 C ATOM 1883 CG GLU A 122 -8.816 -9.441 -14.128 1.00 53.03 C ATOM 1884 CD GLU A 122 -9.872 -8.372 -13.929 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -10.926 -8.680 -13.337 1.00 35.23 O ATOM 1886 OE2 GLU A 122 -9.642 -7.224 -14.367 1.00 60.42 O ATOM 0 H GLU A 122 -6.519 -9.468 -12.470 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.156 -9.025 -11.399 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.026 -11.201 -13.203 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -9.729 -10.929 -12.891 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -7.841 -8.967 -14.240 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.018 -9.978 -15.055 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.490 -11.769 -10.579 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.405 -12.832 -9.585 1.00 54.04 C ATOM 1895 C ILE A 123 -7.369 -12.261 -8.171 1.00 62.52 C ATOM 1896 O ILE A 123 -8.210 -12.589 -7.337 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.159 -13.710 -9.805 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.277 -14.482 -11.119 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -5.973 -14.666 -8.637 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.981 -15.122 -11.564 1.00 24.43 C ATOM 0 H ILE A 123 -6.766 -11.804 -11.297 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.297 -13.447 -9.703 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.283 -13.064 -9.864 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -7.036 -15.257 -11.009 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.624 -13.804 -11.899 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.089 -15.280 -8.807 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -5.848 -14.096 -7.717 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -6.849 -15.308 -8.549 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -5.141 -15.652 -12.503 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.225 -14.350 -11.707 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.642 -15.825 -10.803 1.00 24.43 H new ATOM 1912 N ASN A 124 -6.388 -11.402 -7.911 1.00 75.21 N ATOM 1913 CA ASN A 124 -6.242 -10.782 -6.599 1.00 73.45 C ATOM 1914 C ASN A 124 -7.516 -10.044 -6.201 1.00 64.11 C ATOM 1915 O ASN A 124 -7.786 -9.846 -5.018 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.056 -9.815 -6.597 1.00 11.21 C ATOM 1917 CG ASN A 124 -3.736 -10.519 -6.842 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -3.629 -11.736 -6.684 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -2.721 -9.755 -7.231 1.00 11.02 N ATOM 0 H ASN A 124 -5.683 -11.120 -8.592 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.059 -11.572 -5.870 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -5.208 -9.056 -7.365 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -5.016 -9.296 -5.639 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -1.808 -10.173 -7.411 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -2.855 -8.751 -7.349 1.00 11.02 H new ATOM 1926 N ASN A 125 -8.295 -9.639 -7.200 1.00 51.03 N ATOM 1927 CA ASN A 125 -9.541 -8.922 -6.954 1.00 1.33 C ATOM 1928 C ASN A 125 -10.681 -9.894 -6.670 1.00 30.23 C ATOM 1929 O ASN A 125 -11.679 -9.532 -6.048 1.00 34.25 O ATOM 1930 CB ASN A 125 -9.893 -8.043 -8.156 1.00 2.44 C ATOM 1931 CG ASN A 125 -9.324 -6.643 -8.035 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -8.832 -6.251 -6.977 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -9.387 -5.883 -9.122 1.00 2.34 N ATOM 0 H ASN A 125 -8.085 -9.795 -8.186 1.00 51.03 H new ATOM 0 HA ASN A 125 -9.400 -8.289 -6.078 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -9.515 -8.508 -9.066 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -10.977 -7.984 -8.255 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -9.018 -4.932 -9.102 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -9.804 -6.250 -9.977 1.00 2.34 H new ATOM 1940 N ASN A 126 -10.526 -11.132 -7.129 1.00 22.12 N ATOM 1941 CA ASN A 126 -11.542 -12.158 -6.924 1.00 5.34 C ATOM 1942 C ASN A 126 -11.078 -13.184 -5.895 1.00 72.44 C ATOM 1943 O ASN A 126 -11.699 -14.235 -5.729 1.00 24.00 O ATOM 1944 CB ASN A 126 -11.866 -12.855 -8.246 1.00 64.41 C ATOM 1945 CG ASN A 126 -12.031 -11.874 -9.392 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -12.571 -10.782 -9.216 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -11.567 -12.262 -10.574 1.00 44.34 N ATOM 0 H ASN A 126 -9.706 -11.449 -7.646 1.00 22.12 H new ATOM 0 HA ASN A 126 -12.442 -11.673 -6.547 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -11.070 -13.560 -8.487 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -12.782 -13.435 -8.133 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -11.651 -11.646 -11.382 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -11.126 -13.176 -10.674 1.00 44.34 H new ATOM 1954 N ILE A 127 -9.985 -12.873 -5.207 1.00 64.21 N ATOM 1955 CA ILE A 127 -9.440 -13.768 -4.193 1.00 53.31 C ATOM 1956 C ILE A 127 -9.894 -13.358 -2.797 1.00 13.41 C ATOM 1957 O ILE A 127 -9.965 -12.171 -2.480 1.00 22.03 O ATOM 1958 CB ILE A 127 -7.901 -13.793 -4.234 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.413 -14.821 -5.257 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.340 -14.103 -2.854 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -5.906 -14.904 -5.359 1.00 51.21 C ATOM 0 H ILE A 127 -9.459 -12.008 -5.333 1.00 64.21 H new ATOM 0 HA ILE A 127 -9.818 -14.766 -4.416 1.00 53.31 H new ATOM 0 HB ILE A 127 -7.544 -12.809 -4.538 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -7.805 -15.802 -4.990 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -7.822 -14.570 -6.236 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.251 -14.117 -2.899 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -7.664 -13.337 -2.149 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -7.702 -15.077 -2.524 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.632 -15.652 -6.103 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -5.507 -13.934 -5.657 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.491 -15.185 -4.391 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.199 -14.348 -1.965 1.00 2.43 N ATOM 1974 CA ASN A 128 -10.645 -14.090 -0.601 1.00 53.34 C ATOM 1975 C ASN A 128 -9.691 -13.137 0.113 1.00 63.41 C ATOM 1976 O ASN A 128 -10.072 -12.465 1.071 1.00 72.01 O ATOM 1977 CB ASN A 128 -10.752 -15.403 0.179 1.00 3.42 C ATOM 1978 CG ASN A 128 -9.402 -15.903 0.657 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.521 -16.219 -0.285 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -9.155 -16.003 1.859 1.00 25.45 N flip ATOM 0 H ASN A 128 -10.145 -15.336 -2.211 1.00 2.43 H new ATOM 0 HA ASN A 128 -11.628 -13.622 -0.649 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -11.408 -15.260 1.037 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.214 -16.161 -0.453 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -9.863 -15.749 2.548 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.243 -16.340 2.166 1.00 25.45 H new