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 -136:sc= 0.511 USER MOD Set 1.2: A 126 ASN :FLIP amide:sc= -0.0169 F(o=-0.065,f=0.49) USER MOD Single : A 25 GLN : amide:sc= -0.473 K(o=-0.47,f=-2.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 34 LYS NZ :NH3+ -97:sc= -0.401 (180deg=-1.52!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -12:sc= 0.926 USER MOD Single : A 38 CYS SG : rot 36:sc= -0.323 USER MOD Single : A 39 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.65) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0185 F(o=-0.81,f=-0.019) USER MOD Single : A 62 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.6) 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= -0.146 K(o=-0.15,f=-2.2!) 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 73 ASN : amide:sc= 0.172 X(o=0.17,f=-0.016) 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+ -168:sc= -0.0129 (180deg=-0.176) USER MOD Single : A 98 THR OG1 : rot 24:sc= 0.101 USER MOD Single : A 101 MET CE :methyl 144:sc= -3.29! (180deg=-4.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.668 K(o=-0.67,f=-2.7) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0.526 (180deg=0.469) USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 168:sc=-0.00199 (180deg=-0.0944) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.1) USER MOD Single : A 125 ASN : amide:sc= 0.402 K(o=0.4,f=-0.24) USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 0.123 -27.418 -15.090 1.00 52.50 N ATOM 317 CA ILE A 23 -1.257 -27.430 -15.558 1.00 71.21 C ATOM 318 C ILE A 23 -1.588 -28.741 -16.263 1.00 10.42 C ATOM 319 O ILE A 23 -0.842 -29.194 -17.131 1.00 53.52 O ATOM 320 CB ILE A 23 -1.537 -26.259 -16.518 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.273 -24.923 -15.819 1.00 13.10 C ATOM 322 CG2 ILE A 23 -2.968 -26.322 -17.028 1.00 73.31 C ATOM 323 CD1 ILE A 23 -0.608 -23.896 -16.708 1.00 74.23 C ATOM 0 HA ILE A 23 -1.889 -27.325 -14.676 1.00 71.21 H new ATOM 0 HB ILE A 23 -0.864 -26.340 -17.372 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -2.218 -24.519 -15.456 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.644 -25.097 -14.946 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -3.150 -25.488 -17.705 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.124 -27.261 -17.559 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.657 -26.263 -16.186 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.452 -22.975 -16.146 1.00 74.23 H new ATOM 0 HD12 ILE A 23 0.353 -24.279 -17.051 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -1.245 -23.692 -17.569 1.00 74.23 H new ATOM 335 N GLU A 24 -2.710 -29.345 -15.885 1.00 71.32 N ATOM 336 CA GLU A 24 -3.138 -30.604 -16.482 1.00 63.12 C ATOM 337 C GLU A 24 -4.214 -30.366 -17.538 1.00 45.22 C ATOM 338 O GLU A 24 -5.008 -29.432 -17.430 1.00 40.33 O ATOM 339 CB GLU A 24 -3.666 -31.552 -15.405 1.00 43.20 C ATOM 340 CG GLU A 24 -4.710 -32.532 -15.914 1.00 24.25 C ATOM 341 CD GLU A 24 -4.129 -33.559 -16.867 1.00 12.10 C ATOM 342 OE1 GLU A 24 -2.921 -33.469 -17.170 1.00 52.34 O ATOM 343 OE2 GLU A 24 -4.882 -34.452 -17.308 1.00 51.31 O ATOM 0 H GLU A 24 -3.339 -28.983 -15.168 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.274 -31.060 -16.964 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -2.830 -32.111 -14.984 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -4.097 -30.964 -14.595 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -5.166 -33.045 -15.067 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -5.504 -31.982 -16.418 1.00 24.25 H new ATOM 350 N GLN A 25 -4.233 -31.218 -18.558 1.00 72.41 N ATOM 351 CA GLN A 25 -5.210 -31.101 -19.633 1.00 70.32 C ATOM 352 C GLN A 25 -6.516 -31.795 -19.261 1.00 34.23 C ATOM 353 O GLN A 25 -6.510 -32.924 -18.769 1.00 3.23 O ATOM 354 CB GLN A 25 -4.651 -31.699 -20.927 1.00 62.23 C ATOM 355 CG GLN A 25 -4.153 -33.126 -20.771 1.00 24.51 C ATOM 356 CD GLN A 25 -2.645 -33.207 -20.637 1.00 33.21 C ATOM 357 OE1 GLN A 25 -1.971 -32.193 -20.455 1.00 64.03 O ATOM 358 NE2 GLN A 25 -2.106 -34.417 -20.726 1.00 41.21 N ATOM 0 H GLN A 25 -3.583 -31.997 -18.662 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.415 -30.042 -19.789 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -5.426 -31.675 -21.693 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -3.832 -31.074 -21.282 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -4.617 -33.574 -19.892 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -4.469 -33.713 -21.633 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -2.702 -35.231 -20.877 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -1.096 -34.533 -20.643 1.00 41.21 H new ATOM 367 N ILE A 26 -7.631 -31.114 -19.500 1.00 31.52 N ATOM 368 CA ILE A 26 -8.944 -31.666 -19.190 1.00 43.51 C ATOM 369 C ILE A 26 -9.802 -31.780 -20.445 1.00 72.10 C ATOM 370 O ILE A 26 -9.350 -31.480 -21.549 1.00 74.50 O ATOM 371 CB ILE A 26 -9.686 -30.805 -18.150 1.00 53.31 C ATOM 372 CG1 ILE A 26 -9.901 -29.390 -18.689 1.00 70.00 C ATOM 373 CG2 ILE A 26 -8.909 -30.768 -16.842 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.296 -29.153 -19.225 1.00 44.33 C ATOM 0 H ILE A 26 -7.652 -30.179 -19.907 1.00 31.52 H new ATOM 0 HA ILE A 26 -8.778 -32.660 -18.774 1.00 43.51 H new ATOM 0 HB ILE A 26 -10.661 -31.252 -17.958 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -9.699 -28.672 -17.894 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.178 -29.198 -19.482 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -9.446 -30.156 -16.117 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -8.802 -31.781 -16.453 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -7.922 -30.341 -17.017 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.376 -28.129 -19.590 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -11.494 -29.846 -20.042 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.024 -29.312 -18.429 1.00 44.33 H new ATOM 386 N GLY A 27 -11.047 -32.214 -20.267 1.00 34.03 N ATOM 387 CA GLY A 27 -11.950 -32.359 -21.394 1.00 51.40 C ATOM 388 C GLY A 27 -13.264 -31.632 -21.180 1.00 43.34 C ATOM 389 O GLY A 27 -13.559 -31.184 -20.072 1.00 62.43 O ATOM 0 H GLY A 27 -11.446 -32.467 -19.363 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -11.468 -31.976 -22.294 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.147 -33.417 -21.564 1.00 51.40 H new ATOM 393 N ASP A 28 -14.051 -31.513 -22.243 1.00 72.03 N ATOM 394 CA ASP A 28 -15.340 -30.835 -22.167 1.00 72.25 C ATOM 395 C ASP A 28 -16.321 -31.625 -21.306 1.00 30.43 C ATOM 396 O ASP A 28 -17.204 -31.052 -20.669 1.00 45.30 O ATOM 397 CB ASP A 28 -15.919 -30.636 -23.569 1.00 20.12 C ATOM 398 CG ASP A 28 -16.657 -31.862 -24.070 1.00 62.32 C ATOM 399 OD1 ASP A 28 -15.997 -32.894 -24.315 1.00 61.43 O ATOM 400 OD2 ASP A 28 -17.895 -31.791 -24.215 1.00 15.13 O ATOM 0 H ASP A 28 -13.819 -31.877 -23.167 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.183 -29.860 -21.705 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -16.599 -29.784 -23.560 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -15.113 -30.393 -24.261 1.00 20.12 H new ATOM 405 N SER A 29 -16.158 -32.945 -21.292 1.00 34.14 N ATOM 406 CA SER A 29 -17.031 -33.814 -20.513 1.00 40.21 C ATOM 407 C SER A 29 -16.634 -33.804 -19.040 1.00 24.42 C ATOM 408 O SER A 29 -17.435 -34.141 -18.169 1.00 3.01 O ATOM 409 CB SER A 29 -16.981 -35.243 -21.058 1.00 63.34 C ATOM 410 OG SER A 29 -17.900 -35.416 -22.122 1.00 42.24 O ATOM 0 H SER A 29 -15.430 -33.435 -21.811 1.00 34.14 H new ATOM 0 HA SER A 29 -18.050 -33.436 -20.599 1.00 40.21 H new ATOM 0 HB2 SER A 29 -15.972 -35.468 -21.404 1.00 63.34 H new ATOM 0 HB3 SER A 29 -17.208 -35.948 -20.259 1.00 63.34 H new ATOM 0 HG SER A 29 -17.847 -36.337 -22.454 1.00 42.24 H new ATOM 416 N GLU A 30 -15.391 -33.416 -18.771 1.00 3.41 N ATOM 417 CA GLU A 30 -14.887 -33.362 -17.404 1.00 21.44 C ATOM 418 C GLU A 30 -14.821 -31.923 -16.904 1.00 70.14 C ATOM 419 O GLU A 30 -14.546 -31.673 -15.730 1.00 61.05 O ATOM 420 CB GLU A 30 -13.502 -34.007 -17.322 1.00 71.22 C ATOM 421 CG GLU A 30 -13.326 -35.192 -18.257 1.00 52.14 C ATOM 422 CD GLU A 30 -14.485 -36.166 -18.190 1.00 63.22 C ATOM 423 OE1 GLU A 30 -14.977 -36.425 -17.071 1.00 62.15 O ATOM 424 OE2 GLU A 30 -14.902 -36.669 -19.254 1.00 33.44 O ATOM 0 H GLU A 30 -14.715 -33.135 -19.481 1.00 3.41 H new ATOM 0 HA GLU A 30 -15.577 -33.917 -16.768 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -12.747 -33.256 -17.554 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.323 -34.333 -16.298 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.219 -34.830 -19.280 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -12.403 -35.714 -18.006 1.00 52.14 H new ATOM 431 N PHE A 31 -15.074 -30.977 -17.804 1.00 51.15 N ATOM 432 CA PHE A 31 -15.041 -29.562 -17.455 1.00 15.33 C ATOM 433 C PHE A 31 -15.778 -29.307 -16.143 1.00 52.25 C ATOM 434 O PHE A 31 -15.159 -29.032 -15.115 1.00 53.02 O ATOM 435 CB PHE A 31 -15.666 -28.725 -18.575 1.00 75.15 C ATOM 436 CG PHE A 31 -16.040 -27.336 -18.145 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.072 -26.447 -17.707 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.361 -26.919 -18.181 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.415 -25.168 -17.312 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.711 -25.640 -17.788 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.736 -24.763 -17.353 1.00 13.43 C ATOM 0 H PHE A 31 -15.304 -31.166 -18.780 1.00 51.15 H new ATOM 0 HA PHE A 31 -13.999 -29.269 -17.328 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -14.964 -28.663 -19.407 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.556 -29.234 -18.946 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.038 -26.757 -17.674 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.127 -27.601 -18.520 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.651 -24.485 -16.971 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.744 -25.327 -17.821 1.00 51.23 H new ATOM 0 HZ PHE A 31 -17.005 -23.763 -17.046 1.00 13.43 H new ATOM 451 N ASP A 32 -17.103 -29.401 -16.188 1.00 14.24 N ATOM 452 CA ASP A 32 -17.924 -29.182 -15.004 1.00 72.32 C ATOM 453 C ASP A 32 -17.683 -30.273 -13.965 1.00 72.42 C ATOM 454 O ASP A 32 -17.900 -30.066 -12.772 1.00 33.44 O ATOM 455 CB ASP A 32 -19.405 -29.143 -15.385 1.00 63.01 C ATOM 456 CG ASP A 32 -19.802 -30.296 -16.285 1.00 24.01 C ATOM 457 OD1 ASP A 32 -19.477 -30.247 -17.490 1.00 24.23 O ATOM 458 OD2 ASP A 32 -20.438 -31.248 -15.785 1.00 50.53 O ATOM 0 H ASP A 32 -17.630 -29.627 -17.031 1.00 14.24 H new ATOM 0 HA ASP A 32 -17.642 -28.223 -14.569 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.011 -29.168 -14.479 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.623 -28.201 -15.889 1.00 63.01 H new ATOM 463 N ASN A 33 -17.232 -31.435 -14.427 1.00 0.41 N ATOM 464 CA ASN A 33 -16.963 -32.558 -13.538 1.00 71.43 C ATOM 465 C ASN A 33 -16.004 -32.152 -12.423 1.00 5.31 C ATOM 466 O ASN A 33 -16.127 -32.609 -11.286 1.00 42.22 O ATOM 467 CB ASN A 33 -16.376 -33.731 -14.328 1.00 3.30 C ATOM 468 CG ASN A 33 -16.560 -35.057 -13.616 1.00 61.22 C ATOM 469 OD1 ASN A 33 -15.846 -35.367 -12.664 1.00 43.52 O ATOM 470 ND2 ASN A 33 -17.524 -35.847 -14.077 1.00 2.02 N ATOM 0 H ASN A 33 -17.045 -31.623 -15.412 1.00 0.41 H new ATOM 0 HA ASN A 33 -17.906 -32.867 -13.087 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -16.850 -33.779 -15.308 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -15.313 -33.557 -14.496 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -17.696 -36.752 -13.638 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -18.092 -35.549 -14.870 1.00 2.02 H new ATOM 477 N LYS A 34 -15.051 -31.289 -12.755 1.00 61.14 N ATOM 478 CA LYS A 34 -14.071 -30.817 -11.783 1.00 61.34 C ATOM 479 C LYS A 34 -14.250 -29.328 -11.509 1.00 34.21 C ATOM 480 O LYS A 34 -13.736 -28.801 -10.522 1.00 0.52 O ATOM 481 CB LYS A 34 -12.652 -31.089 -12.286 1.00 4.45 C ATOM 482 CG LYS A 34 -12.391 -30.562 -13.686 1.00 54.12 C ATOM 483 CD LYS A 34 -11.926 -31.667 -14.620 1.00 72.43 C ATOM 484 CE LYS A 34 -10.558 -32.196 -14.220 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.658 -33.467 -13.450 1.00 34.51 N ATOM 0 H LYS A 34 -14.936 -30.901 -13.691 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.229 -31.360 -10.851 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -11.939 -30.636 -11.598 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -12.470 -32.164 -12.272 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.301 -30.109 -14.081 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -11.636 -29.777 -13.645 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -12.650 -32.482 -14.610 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -11.887 -31.289 -15.642 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -9.956 -32.359 -15.114 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.040 -31.448 -13.620 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -10.609 -33.261 -12.432 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -11.562 -33.933 -13.666 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -9.873 -34.096 -13.714 1.00 34.51 H new ATOM 499 N VAL A 35 -14.983 -28.652 -12.389 1.00 34.33 N ATOM 500 CA VAL A 35 -15.231 -27.224 -12.242 1.00 51.44 C ATOM 501 C VAL A 35 -16.473 -26.966 -11.397 1.00 12.33 C ATOM 502 O VAL A 35 -16.409 -26.291 -10.369 1.00 34.24 O ATOM 503 CB VAL A 35 -15.403 -26.539 -13.612 1.00 22.45 C ATOM 504 CG1 VAL A 35 -15.969 -25.137 -13.440 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.079 -26.501 -14.359 1.00 15.43 C ATOM 0 H VAL A 35 -15.415 -29.072 -13.212 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.360 -26.802 -11.741 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.110 -27.120 -14.204 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.084 -24.668 -14.417 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -16.940 -25.195 -12.949 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.289 -24.542 -12.830 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.220 -26.014 -15.324 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.347 -25.944 -13.774 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -13.720 -27.518 -14.515 1.00 15.43 H new ATOM 515 N THR A 36 -17.603 -27.509 -11.836 1.00 23.22 N ATOM 516 CA THR A 36 -18.862 -27.337 -11.120 1.00 25.31 C ATOM 517 C THR A 36 -18.849 -28.095 -9.798 1.00 21.25 C ATOM 518 O THR A 36 -19.707 -27.880 -8.941 1.00 61.41 O ATOM 519 CB THR A 36 -20.058 -27.820 -11.964 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.163 -26.922 -11.805 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.475 -29.224 -11.556 1.00 14.11 C ATOM 0 H THR A 36 -17.673 -28.072 -12.684 1.00 23.22 H new ATOM 0 HA THR A 36 -18.972 -26.270 -10.924 1.00 25.31 H new ATOM 0 HB THR A 36 -19.754 -27.839 -13.010 1.00 24.40 H new ATOM 0 HG1 THR A 36 -21.919 -27.234 -12.345 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.321 -29.544 -12.165 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.641 -29.909 -11.705 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.763 -29.227 -10.505 1.00 14.11 H new ATOM 529 N SER A 37 -17.871 -28.981 -9.637 1.00 14.22 N ATOM 530 CA SER A 37 -17.750 -29.773 -8.419 1.00 52.32 C ATOM 531 C SER A 37 -16.835 -29.082 -7.411 1.00 53.20 C ATOM 532 O SER A 37 -16.544 -29.626 -6.346 1.00 32.53 O ATOM 533 CB SER A 37 -17.209 -31.167 -8.743 1.00 12.31 C ATOM 534 OG SER A 37 -17.000 -31.920 -7.561 1.00 23.30 O ATOM 0 H SER A 37 -17.151 -29.168 -10.335 1.00 14.22 H new ATOM 0 HA SER A 37 -18.742 -29.870 -7.978 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.910 -31.691 -9.392 1.00 12.31 H new ATOM 0 HB3 SER A 37 -16.272 -31.078 -9.292 1.00 12.31 H new ATOM 0 HG SER A 37 -17.069 -31.331 -6.781 1.00 23.30 H new ATOM 540 N CYS A 38 -16.387 -27.880 -7.756 1.00 31.15 N ATOM 541 CA CYS A 38 -15.505 -27.113 -6.883 1.00 55.44 C ATOM 542 C CYS A 38 -16.045 -27.081 -5.457 1.00 24.01 C ATOM 543 O CYS A 38 -17.117 -26.536 -5.201 1.00 1.31 O ATOM 544 CB CYS A 38 -15.343 -25.688 -7.412 1.00 50.43 C ATOM 545 SG CYS A 38 -16.905 -24.827 -7.706 1.00 51.34 S ATOM 0 H CYS A 38 -16.620 -27.415 -8.634 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.531 -27.601 -6.872 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -14.752 -25.113 -6.699 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -14.777 -25.720 -8.343 1.00 50.43 H new ATOM 0 HG CYS A 38 -17.770 -25.175 -6.800 1.00 51.34 H new ATOM 551 N ASN A 39 -15.295 -27.671 -4.532 1.00 43.53 N ATOM 552 CA ASN A 39 -15.699 -27.713 -3.132 1.00 34.53 C ATOM 553 C ASN A 39 -14.866 -26.746 -2.296 1.00 40.14 C ATOM 554 O ASN A 39 -14.852 -26.824 -1.067 1.00 34.52 O ATOM 555 CB ASN A 39 -15.559 -29.132 -2.580 1.00 62.21 C ATOM 556 CG ASN A 39 -14.243 -29.777 -2.970 1.00 2.12 C ATOM 557 OD1 ASN A 39 -14.097 -30.298 -4.076 1.00 62.30 O ATOM 558 ND2 ASN A 39 -13.276 -29.744 -2.060 1.00 54.11 N ATOM 0 H ASN A 39 -14.404 -28.127 -4.727 1.00 43.53 H new ATOM 0 HA ASN A 39 -16.744 -27.410 -3.073 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -15.640 -29.106 -1.493 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -16.383 -29.744 -2.946 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -12.368 -30.161 -2.265 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -13.441 -29.301 -1.156 1.00 54.11 H new ATOM 565 N ASP A 40 -14.171 -25.836 -2.971 1.00 45.34 N ATOM 566 CA ASP A 40 -13.337 -24.852 -2.292 1.00 20.02 C ATOM 567 C ASP A 40 -13.602 -23.450 -2.829 1.00 50.34 C ATOM 568 O ASP A 40 -12.852 -22.515 -2.550 1.00 73.13 O ATOM 569 CB ASP A 40 -11.858 -25.205 -2.459 1.00 44.11 C ATOM 570 CG ASP A 40 -11.398 -26.258 -1.468 1.00 41.31 C ATOM 571 OD1 ASP A 40 -11.662 -27.454 -1.710 1.00 0.11 O ATOM 572 OD2 ASP A 40 -10.773 -25.885 -0.453 1.00 41.24 O ATOM 0 H ASP A 40 -14.169 -25.760 -3.988 1.00 45.34 H new ATOM 0 HA ASP A 40 -13.590 -24.868 -1.232 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -11.686 -25.565 -3.473 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -11.256 -24.305 -2.334 1.00 44.11 H new ATOM 577 N ASN A 41 -14.674 -23.311 -3.602 1.00 64.15 N ATOM 578 CA ASN A 41 -15.037 -22.022 -4.181 1.00 33.45 C ATOM 579 C ASN A 41 -13.840 -21.381 -4.874 1.00 33.24 C ATOM 580 O ASN A 41 -13.671 -20.162 -4.842 1.00 50.23 O ATOM 581 CB ASN A 41 -15.574 -21.087 -3.096 1.00 65.20 C ATOM 582 CG ASN A 41 -17.009 -21.402 -2.718 1.00 23.13 C ATOM 583 OD1 ASN A 41 -17.877 -21.492 -3.719 1.00 25.31 O flip ATOM 584 ND2 ASN A 41 -17.331 -21.563 -1.541 1.00 63.34 N flip ATOM 0 H ASN A 41 -15.306 -24.074 -3.842 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.816 -22.191 -4.924 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.943 -21.163 -2.210 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -15.511 -20.056 -3.445 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -16.629 -21.484 -0.805 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -18.300 -21.775 -1.302 1.00 63.34 H new ATOM 591 N ILE A 42 -13.012 -22.210 -5.502 1.00 30.15 N ATOM 592 CA ILE A 42 -11.833 -21.723 -6.205 1.00 31.32 C ATOM 593 C ILE A 42 -12.159 -21.382 -7.656 1.00 41.34 C ATOM 594 O ILE A 42 -12.985 -22.040 -8.290 1.00 12.51 O ATOM 595 CB ILE A 42 -10.693 -22.759 -6.178 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.392 -23.178 -4.737 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.447 -22.193 -6.842 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.473 -24.375 -4.636 1.00 74.15 C ATOM 0 H ILE A 42 -13.137 -23.222 -5.538 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.507 -20.822 -5.686 1.00 31.32 H new ATOM 0 HB ILE A 42 -11.009 -23.641 -6.736 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.940 -22.338 -4.210 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.330 -23.406 -4.230 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.651 -22.937 -6.815 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.671 -21.938 -7.878 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -9.126 -21.298 -6.310 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.303 -24.616 -3.587 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.932 -25.229 -5.135 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.521 -24.144 -5.114 1.00 74.15 H new ATOM 610 N LEU A 43 -11.502 -20.351 -8.177 1.00 40.54 N ATOM 611 CA LEU A 43 -11.721 -19.923 -9.555 1.00 63.50 C ATOM 612 C LEU A 43 -10.777 -20.652 -10.507 1.00 24.21 C ATOM 613 O LEU A 43 -9.562 -20.466 -10.454 1.00 62.32 O ATOM 614 CB LEU A 43 -11.519 -18.411 -9.677 1.00 50.44 C ATOM 615 CG LEU A 43 -10.256 -17.847 -9.027 1.00 62.42 C ATOM 616 CD1 LEU A 43 -9.523 -16.929 -9.993 1.00 51.24 C ATOM 617 CD2 LEU A 43 -10.603 -17.106 -7.744 1.00 42.21 C ATOM 0 H LEU A 43 -10.814 -19.797 -7.667 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.747 -20.170 -9.829 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.506 -18.151 -10.735 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -12.383 -17.913 -9.237 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.597 -18.678 -8.777 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -8.626 -16.537 -9.513 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -9.242 -17.489 -10.885 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -10.175 -16.102 -10.275 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.692 -16.711 -7.294 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -11.282 -16.284 -7.971 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -11.084 -17.792 -7.047 1.00 42.21 H new ATOM 629 N ILE A 44 -11.348 -21.478 -11.377 1.00 21.31 N ATOM 630 CA ILE A 44 -10.558 -22.232 -12.344 1.00 65.53 C ATOM 631 C ILE A 44 -10.317 -21.418 -13.611 1.00 4.02 C ATOM 632 O ILE A 44 -11.259 -20.933 -14.239 1.00 24.12 O ATOM 633 CB ILE A 44 -11.245 -23.558 -12.721 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.292 -24.495 -11.513 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.520 -24.218 -13.884 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.458 -24.231 -10.587 1.00 1.45 C ATOM 0 H ILE A 44 -12.353 -21.642 -11.433 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.602 -22.451 -11.868 1.00 65.53 H new ATOM 0 HB ILE A 44 -12.268 -23.345 -13.031 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.344 -25.525 -11.865 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.363 -24.397 -10.951 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -11.017 -25.154 -14.139 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -10.535 -23.552 -14.747 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.487 -24.421 -13.601 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.427 -24.933 -9.754 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.396 -23.212 -10.206 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.393 -24.358 -11.133 1.00 1.45 H new ATOM 648 N LEU A 45 -9.050 -21.274 -13.983 1.00 43.35 N ATOM 649 CA LEU A 45 -8.684 -20.521 -15.177 1.00 3.23 C ATOM 650 C LEU A 45 -8.323 -21.460 -16.323 1.00 11.21 C ATOM 651 O LEU A 45 -7.231 -22.030 -16.354 1.00 74.13 O ATOM 652 CB LEU A 45 -7.508 -19.589 -14.876 1.00 44.40 C ATOM 653 CG LEU A 45 -7.868 -18.137 -14.560 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.943 -17.921 -13.056 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.856 -17.189 -15.187 1.00 41.32 C ATOM 0 H LEU A 45 -8.259 -21.669 -13.475 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.545 -19.924 -15.478 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.953 -19.997 -14.031 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -6.835 -19.597 -15.733 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.848 -17.924 -14.986 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -8.200 -16.882 -12.850 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.705 -18.575 -12.632 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.977 -18.151 -12.607 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -7.127 -16.160 -14.952 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.863 -17.402 -14.790 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -6.851 -17.325 -16.268 1.00 41.32 H new ATOM 667 N VAL A 46 -9.245 -21.615 -17.268 1.00 2.42 N ATOM 668 CA VAL A 46 -9.023 -22.482 -18.419 1.00 64.44 C ATOM 669 C VAL A 46 -8.544 -21.682 -19.626 1.00 14.45 C ATOM 670 O VAL A 46 -9.250 -20.803 -20.121 1.00 14.22 O ATOM 671 CB VAL A 46 -10.303 -23.248 -18.800 1.00 13.24 C ATOM 672 CG1 VAL A 46 -10.619 -24.312 -17.760 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.471 -22.286 -18.962 1.00 71.13 C ATOM 0 H VAL A 46 -10.153 -21.151 -17.259 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.252 -23.197 -18.132 1.00 64.44 H new ATOM 0 HB VAL A 46 -10.136 -23.746 -19.755 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -11.527 -24.843 -18.047 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -9.791 -25.018 -17.698 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -10.766 -23.839 -16.789 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.368 -22.844 -19.231 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -11.640 -21.758 -18.024 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.243 -21.565 -19.747 1.00 71.13 H new ATOM 683 N ASP A 47 -7.340 -21.992 -20.094 1.00 71.33 N ATOM 684 CA ASP A 47 -6.767 -21.303 -21.244 1.00 75.44 C ATOM 685 C ASP A 47 -6.765 -22.205 -22.473 1.00 44.42 C ATOM 686 O ASP A 47 -6.891 -23.426 -22.360 1.00 2.15 O ATOM 687 CB ASP A 47 -5.342 -20.842 -20.930 1.00 2.13 C ATOM 688 CG ASP A 47 -4.355 -21.992 -20.905 1.00 51.30 C ATOM 689 OD1 ASP A 47 -4.620 -22.986 -20.197 1.00 35.11 O ATOM 690 OD2 ASP A 47 -3.316 -21.899 -21.591 1.00 25.30 O ATOM 0 H ASP A 47 -6.742 -22.716 -19.695 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.384 -20.430 -21.459 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.027 -20.112 -21.676 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -5.331 -20.336 -19.964 1.00 2.13 H new ATOM 695 N PHE A 48 -6.622 -21.599 -23.646 1.00 52.31 N ATOM 696 CA PHE A 48 -6.605 -22.348 -24.897 1.00 61.22 C ATOM 697 C PHE A 48 -5.275 -22.166 -25.623 1.00 3.21 C ATOM 698 O PHE A 48 -4.496 -21.270 -25.297 1.00 44.32 O ATOM 699 CB PHE A 48 -7.757 -21.900 -25.799 1.00 14.53 C ATOM 700 CG PHE A 48 -9.086 -22.476 -25.405 1.00 12.12 C ATOM 701 CD1 PHE A 48 -9.614 -22.237 -24.147 1.00 52.21 C ATOM 702 CD2 PHE A 48 -9.808 -23.258 -26.293 1.00 11.40 C ATOM 703 CE1 PHE A 48 -10.838 -22.766 -23.781 1.00 54.22 C ATOM 704 CE2 PHE A 48 -11.033 -23.788 -25.933 1.00 0.41 C ATOM 705 CZ PHE A 48 -11.547 -23.542 -24.674 1.00 2.15 C ATOM 0 H PHE A 48 -6.516 -20.591 -23.757 1.00 52.31 H new ATOM 0 HA PHE A 48 -6.727 -23.405 -24.660 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -7.821 -20.812 -25.779 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -7.536 -22.187 -26.827 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -9.063 -21.630 -23.444 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -9.409 -23.455 -27.277 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -11.238 -22.572 -22.797 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -11.588 -24.393 -26.635 1.00 0.41 H new ATOM 0 HZ PHE A 48 -12.503 -23.957 -24.390 1.00 2.15 H new ATOM 884 N GLU A 60 2.769 -18.125 -21.447 1.00 12.25 N ATOM 885 CA GLU A 60 2.412 -17.262 -20.328 1.00 32.45 C ATOM 886 C GLU A 60 2.730 -17.937 -18.998 1.00 55.42 C ATOM 887 O GLU A 60 1.847 -18.435 -18.298 1.00 62.12 O ATOM 888 CB GLU A 60 0.926 -16.900 -20.386 1.00 30.34 C ATOM 889 CG GLU A 60 0.598 -15.564 -19.741 1.00 32.33 C ATOM 890 CD GLU A 60 1.049 -14.384 -20.580 1.00 23.13 C ATOM 891 OE1 GLU A 60 1.578 -14.612 -21.688 1.00 50.14 O ATOM 892 OE2 GLU A 60 0.869 -13.234 -20.129 1.00 35.42 O ATOM 0 HA GLU A 60 3.003 -16.350 -20.404 1.00 32.45 H new ATOM 0 HB2 GLU A 60 0.607 -16.879 -21.428 1.00 30.34 H new ATOM 0 HB3 GLU A 60 0.351 -17.683 -19.892 1.00 30.34 H new ATOM 0 HG2 GLU A 60 -0.478 -15.498 -19.577 1.00 32.33 H new ATOM 0 HG3 GLU A 60 1.073 -15.511 -18.762 1.00 32.33 H new ATOM 899 N PRO A 61 4.022 -17.957 -18.638 1.00 14.41 N ATOM 900 CA PRO A 61 4.488 -18.569 -17.389 1.00 50.20 C ATOM 901 C PRO A 61 4.057 -17.777 -16.160 1.00 41.53 C ATOM 902 O PRO A 61 4.001 -18.313 -15.054 1.00 22.32 O ATOM 903 CB PRO A 61 6.011 -18.549 -17.532 1.00 62.02 C ATOM 904 CG PRO A 61 6.290 -17.426 -18.469 1.00 1.52 C ATOM 905 CD PRO A 61 5.128 -17.384 -19.422 1.00 3.21 C ATOM 0 HA PRO A 61 4.073 -19.566 -17.243 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.497 -18.391 -16.569 1.00 62.02 H new ATOM 0 HB3 PRO A 61 6.384 -19.495 -17.926 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.387 -16.483 -17.930 1.00 1.52 H new ATOM 0 HG3 PRO A 61 7.227 -17.586 -19.003 1.00 1.52 H new ATOM 0 HD2 PRO A 61 4.908 -16.366 -19.742 1.00 3.21 H new ATOM 0 HD3 PRO A 61 5.326 -17.966 -20.322 1.00 3.21 H new ATOM 913 N GLN A 62 3.752 -16.499 -16.362 1.00 11.15 N ATOM 914 CA GLN A 62 3.327 -15.634 -15.268 1.00 4.33 C ATOM 915 C GLN A 62 2.094 -16.201 -14.574 1.00 54.12 C ATOM 916 O GLN A 62 1.947 -16.087 -13.355 1.00 64.54 O ATOM 917 CB GLN A 62 3.029 -14.226 -15.790 1.00 70.43 C ATOM 918 CG GLN A 62 4.194 -13.596 -16.536 1.00 42.43 C ATOM 919 CD GLN A 62 3.770 -12.418 -17.392 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.337 -11.329 -17.296 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.767 -12.630 -18.236 1.00 53.33 N ATOM 0 H GLN A 62 3.791 -16.040 -17.272 1.00 11.15 H new ATOM 0 HA GLN A 62 4.139 -15.582 -14.543 1.00 4.33 H new ATOM 0 HB2 GLN A 62 2.164 -14.268 -16.452 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.757 -13.586 -14.951 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.945 -13.267 -15.818 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.666 -14.349 -17.168 1.00 42.43 H new ATOM 0 HE21 GLN A 62 2.326 -13.548 -18.283 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.438 -11.875 -18.837 1.00 53.33 H new ATOM 930 N LEU A 63 1.209 -16.813 -15.354 1.00 3.30 N ATOM 931 CA LEU A 63 -0.012 -17.399 -14.813 1.00 51.52 C ATOM 932 C LEU A 63 0.310 -18.554 -13.870 1.00 11.10 C ATOM 933 O LEU A 63 -0.277 -18.670 -12.794 1.00 50.22 O ATOM 934 CB LEU A 63 -0.913 -17.888 -15.948 1.00 63.14 C ATOM 935 CG LEU A 63 -1.864 -16.850 -16.545 1.00 4.31 C ATOM 936 CD1 LEU A 63 -1.098 -15.603 -16.963 1.00 33.34 C ATOM 937 CD2 LEU A 63 -2.617 -17.437 -17.731 1.00 44.21 C ATOM 0 H LEU A 63 1.315 -16.916 -16.363 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.536 -16.628 -14.248 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -0.280 -18.273 -16.747 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.506 -18.725 -15.579 1.00 63.14 H new ATOM 0 HG LEU A 63 -2.590 -16.568 -15.782 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -1.791 -14.875 -17.386 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -0.604 -15.171 -16.093 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -0.350 -15.869 -17.710 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -3.289 -16.685 -18.144 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -1.906 -17.747 -18.496 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -3.196 -18.300 -17.403 1.00 44.21 H new ATOM 949 N GLU A 64 1.245 -19.404 -14.281 1.00 45.21 N ATOM 950 CA GLU A 64 1.645 -20.548 -13.471 1.00 2.31 C ATOM 951 C GLU A 64 2.367 -20.094 -12.206 1.00 45.41 C ATOM 952 O GLU A 64 2.079 -20.570 -11.108 1.00 21.22 O ATOM 953 CB GLU A 64 2.548 -21.483 -14.280 1.00 23.31 C ATOM 954 CG GLU A 64 2.056 -21.729 -15.695 1.00 22.31 C ATOM 955 CD GLU A 64 2.757 -22.897 -16.362 1.00 12.53 C ATOM 956 OE1 GLU A 64 3.029 -23.901 -15.670 1.00 32.21 O ATOM 957 OE2 GLU A 64 3.034 -22.808 -17.577 1.00 51.52 O ATOM 0 H GLU A 64 1.739 -19.322 -15.169 1.00 45.21 H new ATOM 0 HA GLU A 64 0.744 -21.087 -13.180 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.551 -21.059 -14.322 1.00 23.31 H new ATOM 0 HB3 GLU A 64 2.627 -22.438 -13.760 1.00 23.31 H new ATOM 0 HG2 GLU A 64 0.983 -21.918 -15.675 1.00 22.31 H new ATOM 0 HG3 GLU A 64 2.210 -20.829 -16.291 1.00 22.31 H new ATOM 964 N LYS A 65 3.308 -19.171 -12.368 1.00 53.21 N ATOM 965 CA LYS A 65 4.074 -18.651 -11.241 1.00 34.44 C ATOM 966 C LYS A 65 3.146 -18.087 -10.169 1.00 3.12 C ATOM 967 O LYS A 65 3.266 -18.424 -8.991 1.00 2.53 O ATOM 968 CB LYS A 65 5.043 -17.566 -11.714 1.00 20.12 C ATOM 969 CG LYS A 65 6.415 -18.099 -12.091 1.00 22.54 C ATOM 970 CD LYS A 65 6.365 -18.904 -13.379 1.00 64.11 C ATOM 971 CE LYS A 65 7.675 -19.634 -13.632 1.00 75.14 C ATOM 972 NZ LYS A 65 7.491 -20.811 -14.524 1.00 55.11 N ATOM 0 H LYS A 65 3.559 -18.767 -13.270 1.00 53.21 H new ATOM 0 HA LYS A 65 4.643 -19.474 -10.809 1.00 34.44 H new ATOM 0 HB2 LYS A 65 4.612 -17.055 -12.575 1.00 20.12 H new ATOM 0 HB3 LYS A 65 5.155 -16.822 -10.925 1.00 20.12 H new ATOM 0 HG2 LYS A 65 7.110 -17.268 -12.207 1.00 22.54 H new ATOM 0 HG3 LYS A 65 6.798 -18.724 -11.284 1.00 22.54 H new ATOM 0 HD2 LYS A 65 5.550 -19.625 -13.327 1.00 64.11 H new ATOM 0 HD3 LYS A 65 6.150 -18.240 -14.216 1.00 64.11 H new ATOM 0 HE2 LYS A 65 8.393 -18.947 -14.081 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.098 -19.961 -12.682 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 8.407 -21.281 -14.672 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 6.826 -21.479 -14.085 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 7.112 -20.497 -15.440 1.00 55.11 H new ATOM 986 N LEU A 66 2.222 -17.229 -10.586 1.00 62.23 N ATOM 987 CA LEU A 66 1.273 -16.619 -9.660 1.00 42.40 C ATOM 988 C LEU A 66 0.235 -17.634 -9.196 1.00 34.31 C ATOM 989 O LEU A 66 -0.280 -17.547 -8.082 1.00 43.55 O ATOM 990 CB LEU A 66 0.577 -15.428 -10.324 1.00 35.22 C ATOM 991 CG LEU A 66 1.255 -14.069 -10.144 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.326 -13.698 -8.671 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.647 -14.082 -10.761 1.00 20.50 C ATOM 0 H LEU A 66 2.109 -16.940 -11.558 1.00 62.23 H new ATOM 0 HA LEU A 66 1.827 -16.270 -8.789 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.493 -15.631 -11.392 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.438 -15.360 -9.931 1.00 35.22 H new ATOM 0 HG LEU A 66 0.658 -13.316 -10.658 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.812 -12.728 -8.563 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.318 -13.647 -8.260 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.900 -14.453 -8.133 1.00 3.13 H new ATOM 0 HD21 LEU A 66 3.115 -13.107 -10.624 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.253 -14.847 -10.276 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.571 -14.301 -11.826 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.068 -18.599 -10.059 1.00 62.40 N ATOM 1006 CA ALA A 67 -1.041 -19.634 -9.736 1.00 31.15 C ATOM 1007 C ALA A 67 -0.690 -20.329 -8.425 1.00 1.14 C ATOM 1008 O ALA A 67 -1.572 -20.673 -7.640 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.127 -20.650 -10.866 1.00 20.14 C ATOM 0 H ALA A 67 0.347 -18.685 -10.987 1.00 62.40 H new ATOM 0 HA ALA A 67 -2.014 -19.157 -9.615 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.858 -21.417 -10.611 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.433 -20.148 -11.784 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.151 -21.113 -11.014 1.00 20.14 H new ATOM 1015 N GLN A 68 0.603 -20.532 -8.197 1.00 12.15 N ATOM 1016 CA GLN A 68 1.070 -21.187 -6.980 1.00 64.31 C ATOM 1017 C GLN A 68 0.977 -20.244 -5.784 1.00 50.20 C ATOM 1018 O GLN A 68 0.767 -20.681 -4.653 1.00 5.42 O ATOM 1019 CB GLN A 68 2.511 -21.667 -7.154 1.00 4.24 C ATOM 1020 CG GLN A 68 2.635 -22.931 -7.991 1.00 32.35 C ATOM 1021 CD GLN A 68 4.013 -23.096 -8.598 1.00 43.12 C ATOM 1022 OE1 GLN A 68 4.988 -23.360 -7.893 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.104 -22.942 -9.914 1.00 1.41 N ATOM 0 H GLN A 68 1.346 -20.253 -8.838 1.00 12.15 H new ATOM 0 HA GLN A 68 0.428 -22.048 -6.792 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.096 -20.874 -7.620 1.00 4.24 H new ATOM 0 HB3 GLN A 68 2.946 -21.848 -6.171 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.410 -23.797 -7.369 1.00 32.35 H new ATOM 0 HG3 GLN A 68 1.892 -22.909 -8.788 1.00 32.35 H new ATOM 0 HE21 GLN A 68 3.271 -22.724 -10.461 1.00 1.41 H new ATOM 0 HE22 GLN A 68 5.007 -23.042 -10.378 1.00 1.41 H new ATOM 1032 N GLN A 69 1.134 -18.950 -6.044 1.00 75.41 N ATOM 1033 CA GLN A 69 1.069 -17.947 -4.987 1.00 73.40 C ATOM 1034 C GLN A 69 -0.346 -17.836 -4.429 1.00 43.13 C ATOM 1035 O GLN A 69 -0.540 -17.748 -3.216 1.00 45.10 O ATOM 1036 CB GLN A 69 1.529 -16.588 -5.518 1.00 50.41 C ATOM 1037 CG GLN A 69 2.971 -16.579 -6.000 1.00 72.14 C ATOM 1038 CD GLN A 69 3.583 -15.192 -5.984 1.00 5.22 C ATOM 1039 OE1 GLN A 69 3.041 -14.269 -5.377 1.00 1.33 O ATOM 1040 NE2 GLN A 69 4.719 -15.039 -6.654 1.00 61.43 N ATOM 0 H GLN A 69 1.307 -18.572 -6.975 1.00 75.41 H new ATOM 0 HA GLN A 69 1.734 -18.259 -4.182 1.00 73.40 H new ATOM 0 HB2 GLN A 69 0.878 -16.289 -6.340 1.00 50.41 H new ATOM 0 HB3 GLN A 69 1.413 -15.842 -4.732 1.00 50.41 H new ATOM 0 HG2 GLN A 69 3.565 -17.241 -5.370 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.014 -16.979 -7.013 1.00 72.14 H new ATOM 0 HE21 GLN A 69 5.133 -15.832 -7.143 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.177 -14.128 -6.679 1.00 61.43 H new ATOM 1049 N TYR A 70 -1.330 -17.840 -5.321 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.727 -17.737 -4.917 1.00 13.24 C ATOM 1051 C TYR A 70 -3.463 -19.051 -5.158 1.00 13.40 C ATOM 1052 O TYR A 70 -4.687 -19.078 -5.289 1.00 60.12 O ATOM 1053 CB TYR A 70 -3.419 -16.605 -5.680 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.769 -15.255 -5.481 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -2.755 -14.647 -4.232 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -2.170 -14.587 -6.542 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -2.164 -13.413 -4.045 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -1.574 -13.353 -6.364 1.00 43.53 C ATOM 1059 CZ TYR A 70 -1.574 -12.770 -5.114 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.983 -11.541 -4.931 1.00 32.23 O ATOM 0 H TYR A 70 -1.186 -17.913 -6.328 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.754 -17.517 -3.850 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -3.422 -16.844 -6.743 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -4.460 -16.548 -5.363 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -3.214 -15.148 -3.393 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -2.170 -15.040 -7.522 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -2.164 -12.954 -3.068 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -1.111 -12.848 -7.199 1.00 43.53 H new ATOM 0 HH TYR A 70 -0.614 -11.226 -5.782 1.00 32.23 H new ATOM 1070 N THR A 71 -2.707 -20.143 -5.215 1.00 53.31 N ATOM 1071 CA THR A 71 -3.284 -21.462 -5.441 1.00 63.45 C ATOM 1072 C THR A 71 -4.361 -21.775 -4.409 1.00 25.02 C ATOM 1073 O THR A 71 -5.235 -22.608 -4.643 1.00 11.42 O ATOM 1074 CB THR A 71 -2.207 -22.562 -5.392 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.753 -23.802 -5.855 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.673 -22.735 -3.978 1.00 62.15 C ATOM 0 H THR A 71 -1.693 -20.140 -5.108 1.00 53.31 H new ATOM 0 HA THR A 71 -3.731 -21.445 -6.435 1.00 63.45 H new ATOM 0 HB THR A 71 -1.384 -22.262 -6.040 1.00 51.51 H new ATOM 0 HG1 THR A 71 -2.062 -24.496 -5.822 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.914 -23.517 -3.969 1.00 62.15 H new ATOM 0 HG22 THR A 71 -1.232 -21.798 -3.638 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.490 -23.014 -3.312 1.00 62.15 H new ATOM 1084 N GLU A 72 -4.292 -21.100 -3.265 1.00 42.03 N ATOM 1085 CA GLU A 72 -5.263 -21.307 -2.196 1.00 25.13 C ATOM 1086 C GLU A 72 -6.687 -21.126 -2.713 1.00 64.22 C ATOM 1087 O GLU A 72 -7.596 -21.860 -2.327 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.999 -20.337 -1.042 1.00 62.10 C ATOM 1089 CG GLU A 72 -3.776 -20.693 -0.215 1.00 10.13 C ATOM 1090 CD GLU A 72 -3.383 -19.591 0.749 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -2.833 -18.568 0.289 1.00 54.20 O ATOM 1092 OE2 GLU A 72 -3.623 -19.752 1.964 1.00 3.33 O ATOM 0 H GLU A 72 -3.575 -20.406 -3.055 1.00 42.03 H new ATOM 0 HA GLU A 72 -5.154 -22.329 -1.833 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.875 -19.332 -1.445 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.873 -20.314 -0.391 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.974 -21.607 0.345 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.940 -20.903 -0.882 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.872 -20.143 -3.587 1.00 43.45 N ATOM 1100 CA ASN A 73 -8.186 -19.863 -4.156 1.00 72.45 C ATOM 1101 C ASN A 73 -8.083 -19.586 -5.652 1.00 43.54 C ATOM 1102 O ASN A 73 -8.945 -18.926 -6.233 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.828 -18.668 -3.448 1.00 62.14 C ATOM 1104 CG ASN A 73 -10.314 -18.864 -3.215 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.751 -19.108 -2.091 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -11.098 -18.758 -4.282 1.00 12.25 N ATOM 0 H ASN A 73 -6.129 -19.527 -3.917 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.812 -20.743 -4.009 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -8.331 -18.506 -2.491 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -8.672 -17.769 -4.044 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -12.106 -18.880 -4.188 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -10.692 -18.554 -5.195 1.00 12.25 H new ATOM 1113 N VAL A 74 -7.023 -20.095 -6.272 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.806 -19.905 -7.701 1.00 42.34 C ATOM 1115 C VAL A 74 -6.355 -21.200 -8.366 1.00 24.52 C ATOM 1116 O VAL A 74 -5.490 -21.908 -7.849 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.758 -18.810 -7.969 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.592 -18.583 -9.464 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -6.144 -17.518 -7.264 1.00 13.41 C ATOM 0 H VAL A 74 -6.300 -20.643 -5.806 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.760 -19.595 -8.127 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.800 -19.143 -7.568 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.847 -17.805 -9.633 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -5.265 -19.508 -9.938 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.545 -18.272 -9.893 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -5.392 -16.755 -7.465 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -7.112 -17.178 -7.632 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -6.205 -17.694 -6.190 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.947 -21.505 -9.516 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.605 -22.714 -10.255 1.00 54.30 C ATOM 1131 C LYS A 75 -6.464 -22.421 -11.746 1.00 41.22 C ATOM 1132 O LYS A 75 -6.943 -21.396 -12.233 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.672 -23.790 -10.036 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.140 -25.207 -10.153 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.105 -25.505 -9.081 1.00 22.44 C ATOM 1136 CE LYS A 75 -6.106 -26.979 -8.700 1.00 73.13 C ATOM 1137 NZ LYS A 75 -4.988 -27.312 -7.775 1.00 54.32 N ATOM 0 H LYS A 75 -7.666 -20.931 -9.956 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.648 -23.078 -9.882 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.113 -23.657 -9.048 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -8.472 -23.650 -10.763 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -7.965 -25.914 -10.070 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -6.696 -25.350 -11.138 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -5.116 -25.221 -9.440 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -6.309 -24.900 -8.198 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -7.056 -27.232 -8.228 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -6.026 -27.587 -9.601 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -5.023 -28.324 -7.539 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -4.081 -27.095 -8.235 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -5.079 -26.750 -6.905 1.00 54.32 H new ATOM 1151 N ILE A 76 -5.806 -23.325 -12.463 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.605 -23.163 -13.898 1.00 74.21 C ATOM 1153 C ILE A 76 -5.640 -24.508 -14.614 1.00 73.53 C ATOM 1154 O ILE A 76 -5.181 -25.519 -14.080 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.267 -22.465 -14.204 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.225 -21.084 -13.547 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.061 -22.349 -15.706 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -2.959 -20.310 -13.846 1.00 71.25 C ATOM 0 H ILE A 76 -5.403 -24.177 -12.074 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.422 -22.540 -14.262 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.458 -23.068 -13.792 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -5.084 -20.504 -13.884 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.323 -21.201 -12.468 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.111 -21.853 -15.906 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.051 -23.344 -16.150 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -4.873 -21.766 -16.141 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -2.999 -19.341 -13.348 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.096 -20.869 -13.484 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -2.869 -20.161 -14.922 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.186 -24.514 -15.824 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.281 -25.736 -16.614 1.00 41.33 C ATOM 1172 C TYR A 77 -6.039 -25.450 -18.093 1.00 64.33 C ATOM 1173 O TYR A 77 -6.331 -24.358 -18.582 1.00 10.43 O ATOM 1174 CB TYR A 77 -7.654 -26.384 -16.426 1.00 72.10 C ATOM 1175 CG TYR A 77 -7.730 -27.308 -15.232 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -6.720 -28.228 -14.976 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -8.809 -27.261 -14.359 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -6.786 -29.075 -13.887 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -8.883 -28.103 -13.266 1.00 23.03 C ATOM 1180 CZ TYR A 77 -7.868 -29.008 -13.035 1.00 14.33 C ATOM 1181 OH TYR A 77 -7.937 -29.850 -11.948 1.00 41.31 O ATOM 0 H TYR A 77 -6.570 -23.686 -16.280 1.00 44.05 H new ATOM 0 HA TYR A 77 -5.511 -26.424 -16.266 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -8.404 -25.601 -16.317 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -7.908 -26.945 -17.325 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -5.870 -28.281 -15.640 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -9.605 -26.553 -14.538 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -5.994 -29.786 -13.704 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -9.730 -28.053 -12.597 1.00 23.03 H new ATOM 0 HH TYR A 77 -8.762 -29.674 -11.449 1.00 41.31 H new ATOM 1191 N LYS A 78 -5.505 -26.439 -18.800 1.00 23.53 N ATOM 1192 CA LYS A 78 -5.225 -26.296 -20.225 1.00 3.52 C ATOM 1193 C LYS A 78 -6.126 -27.209 -21.051 1.00 53.52 C ATOM 1194 O LYS A 78 -6.635 -28.212 -20.549 1.00 32.22 O ATOM 1195 CB LYS A 78 -3.756 -26.617 -20.511 1.00 32.21 C ATOM 1196 CG LYS A 78 -3.326 -26.286 -21.929 1.00 32.34 C ATOM 1197 CD LYS A 78 -3.564 -24.821 -22.257 1.00 31.11 C ATOM 1198 CE LYS A 78 -3.031 -24.465 -23.636 1.00 21.42 C ATOM 1199 NZ LYS A 78 -1.545 -24.535 -23.692 1.00 41.41 N ATOM 0 H LYS A 78 -5.257 -27.349 -18.411 1.00 23.53 H new ATOM 0 HA LYS A 78 -5.427 -25.263 -20.508 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -3.129 -26.064 -19.812 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -3.582 -27.677 -20.325 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -2.269 -26.520 -22.054 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -3.876 -26.911 -22.632 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -4.632 -24.606 -22.212 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -3.081 -24.196 -21.506 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -3.455 -25.145 -24.375 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -3.357 -23.460 -23.903 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -1.210 -24.095 -24.573 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -1.143 -24.029 -22.877 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -1.243 -25.530 -23.665 1.00 41.41 H new ATOM 1490 N THR A 98 -7.521 -18.018 -25.486 1.00 45.20 N ATOM 1491 CA THR A 98 -8.306 -17.214 -24.557 1.00 23.33 C ATOM 1492 C THR A 98 -8.443 -17.910 -23.207 1.00 42.13 C ATOM 1493 O THR A 98 -8.479 -19.139 -23.134 1.00 12.55 O ATOM 1494 CB THR A 98 -9.712 -16.922 -25.115 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.608 -16.320 -26.411 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.484 -16.002 -24.182 1.00 55.04 C ATOM 0 HA THR A 98 -7.772 -16.273 -24.426 1.00 23.33 H new ATOM 0 HB THR A 98 -10.251 -17.866 -25.195 1.00 62.14 H new ATOM 0 HG1 THR A 98 -8.753 -16.569 -26.820 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.473 -15.810 -24.597 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.586 -16.476 -23.206 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.947 -15.060 -24.074 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.516 -17.119 -22.143 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.651 -17.660 -20.797 1.00 43.54 C ATOM 1506 C ILE A 99 -9.998 -17.288 -20.186 1.00 65.44 C ATOM 1507 O ILE A 99 -10.439 -16.141 -20.280 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.525 -17.158 -19.873 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.168 -17.290 -20.569 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.531 -17.930 -18.563 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.013 -16.774 -19.742 1.00 74.33 C ATOM 0 H ILE A 99 -8.484 -16.100 -22.187 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.582 -18.744 -20.885 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.699 -16.105 -19.652 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -5.992 -18.339 -20.809 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.199 -16.747 -21.514 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -6.730 -17.564 -17.921 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.489 -17.790 -18.063 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.378 -18.990 -18.765 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.083 -16.899 -20.297 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -5.166 -15.717 -19.523 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -4.956 -17.333 -18.808 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.647 -18.263 -19.560 1.00 14.13 N ATOM 1524 CA LEU A 100 -11.944 -18.037 -18.931 1.00 74.13 C ATOM 1525 C LEU A 100 -11.944 -18.535 -17.489 1.00 51.03 C ATOM 1526 O LEU A 100 -11.406 -19.601 -17.190 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.047 -18.741 -19.726 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.362 -18.153 -21.101 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -13.797 -19.248 -22.062 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.435 -17.080 -20.990 1.00 10.22 C ATOM 0 H LEU A 100 -10.297 -19.217 -19.474 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.136 -16.964 -18.925 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -12.763 -19.785 -19.856 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -13.960 -18.730 -19.130 1.00 11.41 H new ATOM 0 HG LEU A 100 -12.456 -17.692 -21.494 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -14.017 -18.811 -23.036 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -12.996 -19.980 -22.166 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -14.690 -19.739 -21.674 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -14.646 -16.673 -21.979 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.344 -17.516 -20.575 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -14.085 -16.281 -20.336 1.00 10.22 H new ATOM 1542 N MET A 101 -12.553 -17.758 -16.600 1.00 44.04 N ATOM 1543 CA MET A 101 -12.625 -18.121 -15.190 1.00 51.33 C ATOM 1544 C MET A 101 -13.987 -18.719 -14.852 1.00 12.11 C ATOM 1545 O MET A 101 -15.003 -18.024 -14.870 1.00 52.43 O ATOM 1546 CB MET A 101 -12.360 -16.897 -14.311 1.00 34.22 C ATOM 1547 CG MET A 101 -10.883 -16.604 -14.107 1.00 12.34 C ATOM 1548 SD MET A 101 -10.594 -15.318 -12.877 1.00 53.14 S ATOM 1549 CE MET A 101 -9.045 -14.633 -13.460 1.00 41.24 C ATOM 0 H MET A 101 -13.004 -16.873 -16.831 1.00 44.04 H new ATOM 0 HA MET A 101 -11.859 -18.872 -14.994 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.836 -16.026 -14.762 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.829 -17.049 -13.339 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.375 -17.517 -13.798 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.442 -16.299 -15.056 1.00 12.34 H new ATOM 0 HE1 MET A 101 -9.037 -13.556 -13.290 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.218 -15.092 -12.919 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.937 -14.833 -14.526 1.00 41.24 H new ATOM 1559 N PHE A 102 -14.002 -20.012 -14.545 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.240 -20.704 -14.206 1.00 22.24 C ATOM 1561 C PHE A 102 -15.236 -21.137 -12.743 1.00 24.11 C ATOM 1562 O PHE A 102 -14.182 -21.398 -12.163 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.434 -21.923 -15.110 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.734 -21.567 -16.538 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -16.865 -20.835 -16.860 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -14.886 -21.966 -17.558 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -17.145 -20.507 -18.173 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -15.160 -21.641 -18.874 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.291 -20.911 -19.181 1.00 21.31 C ATOM 0 H PHE A 102 -13.170 -20.602 -14.524 1.00 41.14 H new ATOM 0 HA PHE A 102 -16.068 -20.012 -14.361 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.533 -22.536 -15.078 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.248 -22.532 -14.717 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.536 -20.517 -16.076 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -14.000 -22.538 -17.323 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -18.030 -19.936 -18.411 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -14.491 -21.958 -19.660 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.508 -20.656 -20.208 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.423 -21.210 -12.150 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.560 -21.612 -10.756 1.00 14.34 C ATOM 1581 C LYS A 103 -18.009 -21.958 -10.429 1.00 42.13 C ATOM 1582 O LYS A 103 -18.875 -21.085 -10.404 1.00 4.33 O ATOM 1583 CB LYS A 103 -16.070 -20.495 -9.831 1.00 55.11 C ATOM 1584 CG LYS A 103 -16.344 -20.758 -8.361 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.935 -19.577 -7.496 1.00 73.44 C ATOM 1586 CE LYS A 103 -16.742 -19.522 -6.210 1.00 31.03 C ATOM 1587 NZ LYS A 103 -16.926 -18.124 -5.730 1.00 61.33 N ATOM 0 H LYS A 103 -17.305 -20.995 -12.615 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.948 -22.500 -10.599 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.998 -20.361 -9.974 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -16.549 -19.560 -10.119 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -17.405 -20.964 -8.219 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -15.801 -21.648 -8.043 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -14.874 -19.649 -7.258 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -16.074 -18.651 -8.054 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -17.717 -19.981 -6.373 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -16.239 -20.107 -5.440 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -17.481 -18.129 -4.851 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -15.997 -17.694 -5.550 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -17.429 -17.572 -6.454 1.00 61.33 H new ATOM 1601 N ASN A 104 -18.265 -23.238 -10.176 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.609 -23.698 -9.849 1.00 62.34 C ATOM 1603 C ASN A 104 -20.571 -23.431 -11.003 1.00 50.33 C ATOM 1604 O ASN A 104 -21.772 -23.257 -10.796 1.00 40.20 O ATOM 1605 CB ASN A 104 -20.113 -23.008 -8.579 1.00 11.23 C ATOM 1606 CG ASN A 104 -21.387 -23.635 -8.048 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.860 -24.646 -8.569 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -21.950 -23.037 -7.005 1.00 61.13 N ATOM 0 H ASN A 104 -17.559 -23.974 -10.191 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.566 -24.773 -9.677 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -19.340 -23.056 -7.812 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -20.290 -21.953 -8.788 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -22.809 -23.413 -6.604 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -21.524 -22.201 -6.605 1.00 61.13 H new ATOM 1615 N GLY A 105 -20.035 -23.401 -12.219 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.860 -23.154 -13.387 1.00 3.40 C ATOM 1617 C GLY A 105 -21.060 -21.676 -13.654 1.00 72.24 C ATOM 1618 O GLY A 105 -21.833 -21.295 -14.533 1.00 44.34 O ATOM 0 H GLY A 105 -19.044 -23.543 -12.416 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.398 -23.618 -14.259 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.831 -23.630 -13.249 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.364 -20.839 -12.893 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.469 -19.394 -13.049 1.00 23.53 C ATOM 1624 C LYS A 106 -19.154 -18.803 -13.547 1.00 52.51 C ATOM 1625 O LYS A 106 -18.104 -19.441 -13.464 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.863 -18.742 -11.721 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.675 -17.469 -11.884 1.00 13.01 C ATOM 1628 CD LYS A 106 -20.820 -16.231 -11.670 1.00 34.42 C ATOM 1629 CE LYS A 106 -21.597 -15.135 -10.955 1.00 12.25 C ATOM 1630 NZ LYS A 106 -21.645 -15.360 -9.484 1.00 53.44 N ATOM 0 H LYS A 106 -19.720 -21.138 -12.161 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.242 -19.190 -13.789 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -21.438 -19.456 -11.132 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -19.959 -18.516 -11.155 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -22.114 -17.441 -12.881 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -22.501 -17.469 -11.173 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -19.938 -16.493 -11.086 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -20.467 -15.860 -12.632 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -21.135 -14.169 -11.160 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -22.612 -15.093 -11.349 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -22.183 -14.593 -9.033 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -22.109 -16.270 -9.287 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -20.677 -15.375 -9.103 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.217 -17.580 -14.063 1.00 5.15 N ATOM 1645 CA LYS A 107 -18.030 -16.901 -14.571 1.00 22.41 C ATOM 1646 C LYS A 107 -17.529 -15.862 -13.574 1.00 2.12 C ATOM 1647 O LYS A 107 -18.318 -15.136 -12.969 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.337 -16.231 -15.912 1.00 42.32 C ATOM 1649 CG LYS A 107 -18.358 -17.197 -17.084 1.00 53.43 C ATOM 1650 CD LYS A 107 -18.421 -16.461 -18.412 1.00 74.10 C ATOM 1651 CE LYS A 107 -19.079 -17.309 -19.489 1.00 71.11 C ATOM 1652 NZ LYS A 107 -18.082 -18.113 -20.249 1.00 25.43 N ATOM 0 H LYS A 107 -20.078 -17.038 -14.141 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.248 -17.647 -14.714 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -19.304 -15.732 -15.846 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -17.592 -15.459 -16.102 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -17.467 -17.824 -17.056 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -19.218 -17.861 -16.994 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -18.978 -15.532 -18.288 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -17.413 -16.189 -18.727 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -19.809 -17.976 -19.030 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -19.625 -16.663 -20.177 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -18.578 -18.776 -20.879 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -17.484 -17.479 -20.816 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -17.487 -18.647 -19.584 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.213 -15.796 -13.408 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.605 -14.843 -12.485 1.00 31.31 C ATOM 1668 C LEU A 108 -14.827 -13.771 -13.242 1.00 60.45 C ATOM 1669 O LEU A 108 -14.668 -12.650 -12.761 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.677 -15.569 -11.508 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.271 -16.788 -10.800 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -14.963 -18.059 -11.577 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -14.739 -16.889 -9.378 1.00 44.43 C ATOM 0 H LEU A 108 -15.546 -16.391 -13.900 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.404 -14.358 -11.925 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.787 -15.887 -12.051 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.351 -14.857 -10.750 1.00 53.53 H new ATOM 0 HG LEU A 108 -16.353 -16.667 -10.755 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -15.393 -18.916 -11.058 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -15.392 -17.987 -12.577 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -13.883 -18.186 -11.653 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -15.172 -17.762 -8.889 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -13.654 -16.987 -9.402 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -15.010 -15.991 -8.823 1.00 44.43 H new ATOM 1685 N SER A 109 -14.346 -14.125 -14.429 1.00 64.12 N ATOM 1686 CA SER A 109 -13.583 -13.194 -15.253 1.00 55.15 C ATOM 1687 C SER A 109 -13.173 -13.845 -16.570 1.00 41.05 C ATOM 1688 O SER A 109 -13.355 -15.047 -16.764 1.00 33.13 O ATOM 1689 CB SER A 109 -12.341 -12.714 -14.499 1.00 52.45 C ATOM 1690 OG SER A 109 -12.377 -11.312 -14.296 1.00 54.05 O ATOM 0 H SER A 109 -14.471 -15.049 -14.842 1.00 64.12 H new ATOM 0 HA SER A 109 -14.219 -12.337 -15.474 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.277 -13.222 -13.537 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.445 -12.980 -15.060 1.00 52.45 H new ATOM 0 HG SER A 109 -11.495 -10.931 -14.490 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.619 -13.042 -17.473 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.184 -13.538 -18.772 1.00 42.33 C ATOM 1698 C GLN A 110 -10.945 -12.789 -19.254 1.00 70.12 C ATOM 1699 O GLN A 110 -11.035 -11.651 -19.713 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.310 -13.399 -19.799 1.00 72.44 C ATOM 1701 CG GLN A 110 -13.992 -12.041 -19.771 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.196 -11.974 -20.690 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.748 -13.002 -21.085 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -15.611 -10.762 -21.036 1.00 21.42 N ATOM 0 H GLN A 110 -12.461 -12.045 -17.328 1.00 73.42 H new ATOM 0 HA GLN A 110 -11.930 -14.592 -18.663 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -12.905 -13.573 -20.796 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.054 -14.174 -19.617 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -14.305 -11.817 -18.751 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -13.275 -11.273 -20.061 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -15.124 -9.937 -20.686 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -16.417 -10.655 -21.652 1.00 21.42 H new ATOM 1713 N VAL A 111 -9.789 -13.438 -19.147 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.532 -12.833 -19.572 1.00 4.43 C ATOM 1715 C VAL A 111 -8.223 -13.174 -21.025 1.00 3.33 C ATOM 1716 O VAL A 111 -8.384 -14.318 -21.454 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.360 -13.297 -18.688 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.067 -12.620 -19.116 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.656 -13.019 -17.222 1.00 22.25 C ATOM 0 H VAL A 111 -9.697 -14.381 -18.770 1.00 61.10 H new ATOM 0 HA VAL A 111 -8.649 -11.754 -19.471 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.238 -14.373 -18.813 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.250 -12.960 -18.480 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -5.849 -12.874 -20.153 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.174 -11.539 -19.022 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -6.817 -13.353 -16.612 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -7.806 -11.949 -17.078 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.557 -13.555 -16.925 1.00 22.25 H new ATOM 1729 N ILE A 112 -7.779 -12.175 -21.779 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.445 -12.369 -23.186 1.00 13.53 C ATOM 1731 C ILE A 112 -6.150 -11.650 -23.548 1.00 35.44 C ATOM 1732 O ILE A 112 -6.115 -10.424 -23.647 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.573 -11.866 -24.106 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -9.925 -12.407 -23.636 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.304 -12.277 -25.546 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.094 -11.903 -24.451 1.00 11.41 C ATOM 0 H ILE A 112 -7.642 -11.223 -21.440 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.316 -13.441 -23.335 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.602 -10.777 -24.058 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -9.906 -13.496 -23.678 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.075 -12.131 -22.592 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.110 -11.914 -26.184 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.358 -11.848 -25.876 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.251 -13.364 -25.610 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.019 -12.327 -24.061 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.139 -10.816 -24.389 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -10.968 -12.202 -25.492 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.086 -12.423 -23.746 1.00 53.21 N ATOM 1749 CA GLY A 113 -3.803 -11.842 -24.097 1.00 14.23 C ATOM 1750 C GLY A 113 -2.699 -12.257 -23.144 1.00 44.34 C ATOM 1751 O GLY A 113 -2.699 -13.376 -22.634 1.00 21.13 O ATOM 0 H GLY A 113 -5.090 -13.440 -23.670 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.536 -12.143 -25.110 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -3.888 -10.755 -24.099 1.00 14.23 H new ATOM 1755 N ALA A 114 -1.756 -11.352 -22.905 1.00 2.12 N ATOM 1756 CA ALA A 114 -0.642 -11.629 -22.007 1.00 50.23 C ATOM 1757 C ALA A 114 -0.266 -10.392 -21.200 1.00 73.31 C ATOM 1758 O ALA A 114 0.403 -9.489 -21.705 1.00 1.34 O ATOM 1759 CB ALA A 114 0.559 -12.132 -22.796 1.00 34.24 C ATOM 0 H ALA A 114 -1.741 -10.421 -23.321 1.00 2.12 H new ATOM 0 HA ALA A 114 -0.955 -12.405 -21.308 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.384 -12.335 -22.113 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.291 -13.048 -23.323 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.864 -11.374 -23.518 1.00 34.24 H new ATOM 1765 N ASP A 115 -0.699 -10.355 -19.945 1.00 11.22 N ATOM 1766 CA ASP A 115 -0.408 -9.227 -19.068 1.00 33.14 C ATOM 1767 C ASP A 115 -0.485 -9.645 -17.602 1.00 50.50 C ATOM 1768 O ASP A 115 -1.571 -9.871 -17.068 1.00 41.34 O ATOM 1769 CB ASP A 115 -1.382 -8.079 -19.336 1.00 73.33 C ATOM 1770 CG ASP A 115 -0.801 -7.029 -20.261 1.00 45.55 C ATOM 1771 OD1 ASP A 115 0.071 -6.258 -19.809 1.00 51.32 O ATOM 1772 OD2 ASP A 115 -1.216 -6.978 -21.438 1.00 15.43 O ATOM 0 H ASP A 115 -1.253 -11.094 -19.512 1.00 11.22 H new ATOM 0 HA ASP A 115 0.606 -8.888 -19.278 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -2.297 -8.478 -19.774 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -1.658 -7.613 -18.390 1.00 73.33 H new ATOM 1777 N ILE A 116 0.674 -9.746 -16.960 1.00 43.41 N ATOM 1778 CA ILE A 116 0.737 -10.136 -15.557 1.00 44.52 C ATOM 1779 C ILE A 116 -0.083 -9.191 -14.686 1.00 11.00 C ATOM 1780 O ILE A 116 -0.794 -9.625 -13.780 1.00 0.15 O ATOM 1781 CB ILE A 116 2.189 -10.159 -15.044 1.00 1.13 C ATOM 1782 CG1 ILE A 116 2.223 -10.527 -13.559 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.855 -8.812 -15.278 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.718 -11.922 -13.269 1.00 45.32 C ATOM 0 H ILE A 116 1.581 -9.563 -17.389 1.00 43.41 H new ATOM 0 HA ILE A 116 0.320 -11.141 -15.490 1.00 44.52 H new ATOM 0 HB ILE A 116 2.743 -10.916 -15.599 1.00 1.13 H new ATOM 0 HG12 ILE A 116 3.246 -10.437 -13.194 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.622 -9.809 -13.002 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.881 -8.844 -14.910 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.859 -8.589 -16.345 1.00 15.41 H new ATOM 0 HG23 ILE A 116 2.303 -8.036 -14.747 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.771 -12.113 -12.197 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.684 -12.011 -13.602 1.00 45.32 H new ATOM 0 HD13 ILE A 116 2.334 -12.649 -13.798 1.00 45.32 H new ATOM 1796 N SER A 117 0.021 -7.895 -14.968 1.00 21.43 N ATOM 1797 CA SER A 117 -0.710 -6.887 -14.208 1.00 43.32 C ATOM 1798 C SER A 117 -2.215 -7.056 -14.390 1.00 21.20 C ATOM 1799 O SER A 117 -3.008 -6.566 -13.585 1.00 13.41 O ATOM 1800 CB SER A 117 -0.285 -5.484 -14.644 1.00 12.44 C ATOM 1801 OG SER A 117 -1.084 -5.020 -15.719 1.00 62.05 O ATOM 0 H SER A 117 0.604 -7.519 -15.716 1.00 21.43 H new ATOM 0 HA SER A 117 -0.473 -7.019 -13.152 1.00 43.32 H new ATOM 0 HB2 SER A 117 -0.369 -4.797 -13.802 1.00 12.44 H new ATOM 0 HB3 SER A 117 0.763 -5.495 -14.944 1.00 12.44 H new ATOM 0 HG SER A 117 -0.794 -4.121 -15.978 1.00 62.05 H new ATOM 1807 N LYS A 118 -2.602 -7.752 -15.454 1.00 15.20 N ATOM 1808 CA LYS A 118 -4.011 -7.987 -15.743 1.00 45.15 C ATOM 1809 C LYS A 118 -4.526 -9.209 -14.987 1.00 64.05 C ATOM 1810 O LYS A 118 -5.473 -9.114 -14.207 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.219 -8.180 -17.247 1.00 45.12 C ATOM 1812 CG LYS A 118 -5.631 -7.866 -17.711 1.00 72.13 C ATOM 1813 CD LYS A 118 -6.587 -9.003 -17.394 1.00 21.24 C ATOM 1814 CE LYS A 118 -7.959 -8.765 -18.006 1.00 12.53 C ATOM 1815 NZ LYS A 118 -7.939 -8.915 -19.488 1.00 64.22 N ATOM 0 H LYS A 118 -1.959 -8.163 -16.130 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.574 -7.114 -15.413 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -3.518 -7.543 -17.787 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -3.980 -9.211 -17.509 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -5.979 -6.952 -17.229 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -5.629 -7.679 -18.785 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -6.177 -9.940 -17.771 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -6.683 -9.109 -16.313 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -8.674 -9.469 -17.579 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -8.304 -7.764 -17.747 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -8.915 -8.948 -19.847 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -7.441 -8.106 -19.912 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -7.447 -9.796 -19.741 1.00 64.22 H new ATOM 1829 N ILE A 119 -3.894 -10.354 -15.224 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.286 -11.592 -14.563 1.00 50.12 C ATOM 1831 C ILE A 119 -4.304 -11.426 -13.048 1.00 70.05 C ATOM 1832 O ILE A 119 -5.126 -12.028 -12.357 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.339 -12.750 -14.930 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -1.980 -12.561 -14.251 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.173 -12.842 -16.439 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -1.849 -13.312 -12.945 1.00 60.34 C ATOM 0 H ILE A 119 -3.109 -10.449 -15.868 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.291 -11.830 -14.911 1.00 50.12 H new ATOM 0 HB ILE A 119 -3.776 -13.683 -14.575 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.194 -12.890 -14.931 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -1.819 -11.499 -14.068 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -2.501 -13.665 -16.682 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.144 -13.018 -16.902 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -2.755 -11.909 -16.817 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -0.862 -13.133 -12.520 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.613 -12.966 -12.248 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -1.978 -14.379 -13.124 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.394 -10.603 -12.537 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.308 -10.354 -11.104 1.00 1.51 C ATOM 1850 C ILE A 120 -4.436 -9.441 -10.636 1.00 62.35 C ATOM 1851 O ILE A 120 -4.941 -9.583 -9.522 1.00 43.52 O ATOM 1852 CB ILE A 120 -1.957 -9.719 -10.723 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.793 -8.363 -11.414 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.812 -10.650 -11.092 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -2.244 -7.195 -10.566 1.00 14.01 C ATOM 0 H ILE A 120 -2.706 -10.097 -13.095 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.398 -11.321 -10.610 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.937 -9.561 -9.645 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.745 -8.225 -11.681 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -2.361 -8.367 -12.344 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.136 -10.188 -10.817 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -0.924 -11.594 -10.558 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -0.826 -10.837 -12.166 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -2.099 -6.267 -11.119 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -3.300 -7.310 -10.320 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -1.659 -7.165 -9.647 1.00 14.01 H new ATOM 1867 N SER A 121 -4.828 -8.506 -11.494 1.00 0.12 N ATOM 1868 CA SER A 121 -5.897 -7.568 -11.168 1.00 73.21 C ATOM 1869 C SER A 121 -7.249 -8.273 -11.139 1.00 61.43 C ATOM 1870 O SER A 121 -8.117 -7.941 -10.333 1.00 43.23 O ATOM 1871 CB SER A 121 -5.926 -6.424 -12.182 1.00 52.11 C ATOM 1872 OG SER A 121 -6.949 -5.493 -11.871 1.00 1.41 O ATOM 0 H SER A 121 -4.422 -8.377 -12.421 1.00 0.12 H new ATOM 0 HA SER A 121 -5.700 -7.160 -10.177 1.00 73.21 H new ATOM 0 HB2 SER A 121 -4.960 -5.918 -12.192 1.00 52.11 H new ATOM 0 HB3 SER A 121 -6.087 -6.825 -13.183 1.00 52.11 H new ATOM 0 HG SER A 121 -6.946 -4.770 -12.533 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.419 -9.250 -12.025 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.666 -10.002 -12.102 1.00 61.12 C ATOM 1880 C GLU A 122 -8.752 -11.029 -10.976 1.00 33.11 C ATOM 1881 O GLU A 122 -9.723 -11.058 -10.222 1.00 50.32 O ATOM 1882 CB GLU A 122 -8.782 -10.702 -13.457 1.00 22.41 C ATOM 1883 CG GLU A 122 -8.806 -9.745 -14.637 1.00 53.03 C ATOM 1884 CD GLU A 122 -9.947 -8.749 -14.556 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -10.992 -9.091 -13.964 1.00 60.42 O ATOM 1886 OE2 GLU A 122 -9.794 -7.628 -15.086 1.00 35.23 O ATOM 0 H GLU A 122 -6.710 -9.539 -12.699 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.492 -9.299 -11.993 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -7.944 -11.389 -13.574 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -9.691 -11.303 -13.469 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -7.860 -9.205 -14.682 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -8.892 -10.316 -15.562 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.728 -11.870 -10.872 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.688 -12.898 -9.840 1.00 54.04 C ATOM 1895 C ILE A 123 -7.838 -12.289 -8.451 1.00 62.52 C ATOM 1896 O ILE A 123 -8.693 -12.702 -7.669 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.374 -13.701 -9.897 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.257 -14.435 -11.235 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -6.305 -14.686 -8.738 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.850 -14.887 -11.555 1.00 24.43 C ATOM 0 H ILE A 123 -6.916 -11.859 -11.489 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.525 -13.570 -10.031 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.537 -13.008 -9.810 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -6.915 -15.304 -11.222 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.610 -13.780 -12.032 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.371 -15.246 -8.792 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -6.348 -14.142 -7.795 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -7.146 -15.377 -8.797 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -4.842 -15.399 -12.517 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.191 -14.020 -11.600 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.501 -15.568 -10.779 1.00 24.43 H new ATOM 1912 N ASN A 124 -7.000 -11.302 -8.150 1.00 75.21 N ATOM 1913 CA ASN A 124 -7.039 -10.634 -6.854 1.00 73.45 C ATOM 1914 C ASN A 124 -8.425 -10.053 -6.584 1.00 64.11 C ATOM 1915 O ASN A 124 -8.820 -9.873 -5.433 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.990 -9.522 -6.797 1.00 11.21 C ATOM 1917 CG ASN A 124 -4.574 -10.065 -6.789 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -4.347 -11.234 -6.478 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -3.612 -9.215 -7.129 1.00 11.02 N ATOM 0 H ASN A 124 -6.286 -10.947 -8.786 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.816 -11.374 -6.085 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -6.118 -8.861 -7.654 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -6.151 -8.920 -5.903 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -2.640 -9.523 -7.139 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -3.846 -8.254 -7.380 1.00 11.02 H new ATOM 1926 N ASN A 125 -9.158 -9.763 -7.654 1.00 51.03 N ATOM 1927 CA ASN A 125 -10.499 -9.204 -7.533 1.00 1.33 C ATOM 1928 C ASN A 125 -11.518 -10.295 -7.217 1.00 30.23 C ATOM 1929 O ASN A 125 -12.541 -10.040 -6.585 1.00 34.25 O ATOM 1930 CB ASN A 125 -10.892 -8.482 -8.823 1.00 2.44 C ATOM 1931 CG ASN A 125 -10.866 -6.973 -8.672 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -11.434 -6.423 -7.730 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -10.204 -6.297 -9.605 1.00 2.34 N ATOM 0 H ASN A 125 -8.846 -9.906 -8.614 1.00 51.03 H new ATOM 0 HA ASN A 125 -10.493 -8.488 -6.711 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -10.212 -8.776 -9.622 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -11.891 -8.797 -9.123 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -10.152 -5.279 -9.557 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -9.748 -6.796 -10.369 1.00 2.34 H new ATOM 1940 N ASN A 126 -11.228 -11.514 -7.663 1.00 22.12 N ATOM 1941 CA ASN A 126 -12.119 -12.645 -7.428 1.00 5.34 C ATOM 1942 C ASN A 126 -11.616 -13.502 -6.271 1.00 72.44 C ATOM 1943 O ASN A 126 -12.109 -14.607 -6.043 1.00 24.00 O ATOM 1944 CB ASN A 126 -12.239 -13.497 -8.694 1.00 64.41 C ATOM 1945 CG ASN A 126 -12.549 -12.665 -9.924 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -11.727 -12.807 -10.956 1.00 60.44 O flip ATOM 1947 ND2 ASN A 126 -13.517 -11.906 -9.944 1.00 44.34 N flip ATOM 0 H ASN A 126 -10.384 -11.743 -8.188 1.00 22.12 H new ATOM 0 HA ASN A 126 -13.102 -12.254 -7.166 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -11.308 -14.041 -8.852 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -13.023 -14.241 -8.555 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -14.122 -11.829 -9.126 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -13.715 -11.353 -10.778 1.00 44.34 H new ATOM 1954 N ILE A 127 -10.632 -12.985 -5.543 1.00 64.21 N ATOM 1955 CA ILE A 127 -10.064 -13.701 -4.408 1.00 53.31 C ATOM 1956 C ILE A 127 -10.642 -13.193 -3.092 1.00 13.41 C ATOM 1957 O ILE A 127 -10.853 -11.993 -2.916 1.00 22.03 O ATOM 1958 CB ILE A 127 -8.531 -13.568 -4.368 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.881 -14.626 -5.262 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -8.025 -13.691 -2.938 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -6.370 -14.558 -5.278 1.00 51.21 C ATOM 0 H ILE A 127 -10.212 -12.073 -5.719 1.00 64.21 H new ATOM 0 HA ILE A 127 -10.326 -14.751 -4.535 1.00 53.31 H new ATOM 0 HB ILE A 127 -8.257 -12.583 -4.746 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -8.189 -15.615 -4.923 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -8.253 -14.508 -6.280 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.939 -13.595 -2.927 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -8.465 -12.903 -2.327 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -8.307 -14.663 -2.535 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.978 -15.337 -5.932 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -6.054 -13.582 -5.646 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.988 -14.706 -4.268 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.894 -14.114 -2.167 1.00 2.43 N ATOM 1974 CA ASN A 128 -11.447 -13.760 -0.865 1.00 53.34 C ATOM 1975 C ASN A 128 -10.644 -12.632 -0.223 1.00 63.41 C ATOM 1976 O ASN A 128 -11.202 -11.613 0.185 1.00 72.01 O ATOM 1977 CB ASN A 128 -11.459 -14.981 0.057 1.00 3.42 C ATOM 1978 CG ASN A 128 -10.095 -15.273 0.648 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -9.136 -15.603 -0.211 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -9.903 -15.203 1.862 1.00 25.45 N flip ATOM 0 H ASN A 128 -10.724 -15.111 -2.295 1.00 2.43 H new ATOM 0 HA ASN A 128 -12.471 -13.416 -1.014 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -12.174 -14.817 0.864 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.804 -15.851 -0.502 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -10.668 -14.946 2.485 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.979 -15.402 2.244 1.00 25.45 H new