USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=18 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 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -0.0603 F(o=-0.88,f=-0.06) USER MOD Single : A 25 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.02) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.588 (180deg=-1.68!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 140:sc= -1.07 USER MOD Single : A 39 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 62 GLN : amide:sc= -2.37 K(o=-2.4,f=-5!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1 K(o=1,f=-0.09) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 31:sc= 0.0552 USER MOD Single : A 101 MET CE :methyl 142:sc= -1.81 (180deg=-3.84!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.5) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc=-0.00172 (180deg=-0.0913) USER MOD Single : A 109 SER OG : rot -166:sc= 0.684 USER MOD Single : A 110 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.29) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0227) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 125 ASN : amide:sc= -0.867 K(o=-0.87,f=-3.1!) USER MOD Single : A 126 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.73) USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 -0.510 -27.657 -14.270 1.00 52.50 N ATOM 317 CA ILE A 23 -1.775 -27.574 -14.991 1.00 71.21 C ATOM 318 C ILE A 23 -2.001 -28.814 -15.848 1.00 10.42 C ATOM 319 O ILE A 23 -1.146 -29.190 -16.650 1.00 53.52 O ATOM 320 CB ILE A 23 -1.831 -26.325 -15.890 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.644 -25.058 -15.052 1.00 13.10 C ATOM 322 CG2 ILE A 23 -3.149 -26.276 -16.648 1.00 73.31 C ATOM 323 CD1 ILE A 23 -1.505 -23.800 -15.881 1.00 74.23 C ATOM 0 HA ILE A 23 -2.562 -27.506 -14.240 1.00 71.21 H new ATOM 0 HB ILE A 23 -1.020 -26.381 -16.616 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -2.495 -24.948 -14.380 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.757 -25.172 -14.428 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -3.173 -25.387 -17.279 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.244 -27.166 -17.270 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.976 -26.240 -15.938 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -1.376 -22.942 -15.221 1.00 74.23 H new ATOM 0 HD12 ILE A 23 -0.637 -23.889 -16.535 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -2.402 -23.661 -16.485 1.00 74.23 H new ATOM 335 N GLU A 24 -3.159 -29.444 -15.675 1.00 71.32 N ATOM 336 CA GLU A 24 -3.498 -30.642 -16.434 1.00 63.12 C ATOM 337 C GLU A 24 -4.575 -30.341 -17.473 1.00 45.22 C ATOM 338 O GLU A 24 -5.394 -29.441 -17.289 1.00 40.33 O ATOM 339 CB GLU A 24 -3.975 -31.751 -15.495 1.00 43.20 C ATOM 340 CG GLU A 24 -5.290 -32.384 -15.918 1.00 24.25 C ATOM 341 CD GLU A 24 -5.731 -33.493 -14.983 1.00 12.10 C ATOM 342 OE1 GLU A 24 -5.346 -34.657 -15.221 1.00 52.34 O ATOM 343 OE2 GLU A 24 -6.462 -33.197 -14.014 1.00 51.31 O ATOM 0 H GLU A 24 -3.878 -29.145 -15.016 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.600 -30.978 -16.953 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -3.209 -32.525 -15.442 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -4.085 -31.342 -14.490 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -6.063 -31.616 -15.955 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -5.189 -32.783 -16.927 1.00 24.25 H new ATOM 350 N GLN A 25 -4.567 -31.101 -18.563 1.00 72.41 N ATOM 351 CA GLN A 25 -5.542 -30.916 -19.631 1.00 70.32 C ATOM 352 C GLN A 25 -6.851 -31.626 -19.302 1.00 34.23 C ATOM 353 O GLN A 25 -6.850 -32.765 -18.834 1.00 3.23 O ATOM 354 CB GLN A 25 -4.984 -31.438 -20.956 1.00 62.23 C ATOM 355 CG GLN A 25 -4.497 -32.876 -20.887 1.00 24.51 C ATOM 356 CD GLN A 25 -3.006 -32.974 -20.629 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.236 -32.101 -21.030 1.00 64.03 O ATOM 358 NE2 GLN A 25 -2.591 -34.041 -19.957 1.00 41.21 N ATOM 0 H GLN A 25 -3.896 -31.851 -18.730 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.742 -29.849 -19.725 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -5.756 -31.361 -21.721 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.159 -30.799 -21.270 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -5.034 -33.400 -20.097 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -4.734 -33.382 -21.823 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -3.264 -34.740 -19.644 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -1.599 -34.162 -19.754 1.00 41.21 H new ATOM 367 N ILE A 26 -7.966 -30.946 -19.548 1.00 31.52 N ATOM 368 CA ILE A 26 -9.281 -31.512 -19.279 1.00 43.51 C ATOM 369 C ILE A 26 -10.112 -31.606 -20.554 1.00 72.10 C ATOM 370 O ILE A 26 -9.639 -31.276 -21.642 1.00 74.50 O ATOM 371 CB ILE A 26 -10.051 -30.678 -18.238 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.270 -29.254 -18.754 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.301 -30.660 -16.915 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.648 -29.027 -19.332 1.00 44.33 C ATOM 0 H ILE A 26 -7.984 -30.002 -19.933 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.117 -32.513 -18.881 1.00 43.51 H new ATOM 0 HB ILE A 26 -11.026 -31.138 -18.074 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -10.107 -28.551 -17.937 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.524 -29.034 -19.517 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -9.857 -30.067 -16.189 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.193 -31.679 -16.544 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.314 -30.221 -17.062 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.732 -27.997 -19.678 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -11.807 -29.705 -20.170 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.400 -29.215 -18.565 1.00 44.33 H new ATOM 386 N GLY A 27 -11.355 -32.055 -20.414 1.00 34.03 N ATOM 387 CA GLY A 27 -12.233 -32.181 -21.563 1.00 51.40 C ATOM 388 C GLY A 27 -13.557 -31.471 -21.361 1.00 43.34 C ATOM 389 O GLY A 27 -13.993 -31.264 -20.228 1.00 62.43 O ATOM 0 H GLY A 27 -11.770 -32.334 -19.525 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -11.736 -31.773 -22.443 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.417 -33.237 -21.762 1.00 51.40 H new ATOM 393 N ASP A 28 -14.198 -31.094 -22.462 1.00 72.03 N ATOM 394 CA ASP A 28 -15.480 -30.402 -22.402 1.00 72.25 C ATOM 395 C ASP A 28 -16.507 -31.225 -21.629 1.00 30.43 C ATOM 396 O ASP A 28 -17.410 -30.675 -21.000 1.00 45.30 O ATOM 397 CB ASP A 28 -15.995 -30.115 -23.813 1.00 20.12 C ATOM 398 CG ASP A 28 -17.475 -29.780 -23.832 1.00 62.32 C ATOM 399 OD1 ASP A 28 -17.915 -28.986 -22.974 1.00 61.43 O ATOM 400 OD2 ASP A 28 -18.190 -30.312 -24.706 1.00 15.13 O ATOM 0 H ASP A 28 -13.850 -31.256 -23.407 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.331 -29.457 -21.879 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -15.432 -29.285 -24.240 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -15.814 -30.983 -24.447 1.00 20.12 H new ATOM 405 N SER A 29 -16.360 -32.544 -21.682 1.00 34.14 N ATOM 406 CA SER A 29 -17.277 -33.444 -20.992 1.00 40.21 C ATOM 407 C SER A 29 -16.963 -33.500 -19.501 1.00 24.42 C ATOM 408 O SER A 29 -17.806 -33.886 -18.692 1.00 3.01 O ATOM 409 CB SER A 29 -17.199 -34.848 -21.594 1.00 63.34 C ATOM 410 OG SER A 29 -17.768 -34.879 -22.892 1.00 42.24 O ATOM 0 H SER A 29 -15.615 -33.014 -22.196 1.00 34.14 H new ATOM 0 HA SER A 29 -18.289 -33.059 -21.119 1.00 40.21 H new ATOM 0 HB2 SER A 29 -16.159 -35.169 -21.642 1.00 63.34 H new ATOM 0 HB3 SER A 29 -17.721 -35.554 -20.948 1.00 63.34 H new ATOM 0 HG SER A 29 -17.704 -35.787 -23.256 1.00 42.24 H new ATOM 416 N GLU A 30 -15.743 -33.112 -19.144 1.00 3.41 N ATOM 417 CA GLU A 30 -15.315 -33.118 -17.750 1.00 21.44 C ATOM 418 C GLU A 30 -15.216 -31.697 -17.205 1.00 70.14 C ATOM 419 O GLU A 30 -14.845 -31.488 -16.049 1.00 61.05 O ATOM 420 CB GLU A 30 -13.966 -33.825 -17.611 1.00 71.22 C ATOM 421 CG GLU A 30 -13.793 -34.999 -18.560 1.00 52.14 C ATOM 422 CD GLU A 30 -15.004 -35.912 -18.586 1.00 63.22 C ATOM 423 OE1 GLU A 30 -15.683 -36.026 -17.545 1.00 33.44 O ATOM 424 OE2 GLU A 30 -15.271 -36.512 -19.648 1.00 62.15 O ATOM 0 H GLU A 30 -15.033 -32.789 -19.801 1.00 3.41 H new ATOM 0 HA GLU A 30 -16.062 -33.659 -17.170 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -13.168 -33.104 -17.789 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.854 -34.178 -16.586 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.604 -34.624 -19.566 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -12.915 -35.574 -18.264 1.00 52.14 H new ATOM 431 N PHE A 31 -15.549 -30.722 -18.045 1.00 51.15 N ATOM 432 CA PHE A 31 -15.497 -29.319 -17.648 1.00 15.33 C ATOM 433 C PHE A 31 -16.187 -29.107 -16.305 1.00 52.25 C ATOM 434 O PHE A 31 -15.532 -28.885 -15.286 1.00 53.02 O ATOM 435 CB PHE A 31 -16.151 -28.441 -18.716 1.00 75.15 C ATOM 436 CG PHE A 31 -16.388 -27.027 -18.266 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.324 -26.207 -17.929 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.674 -26.519 -18.181 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.539 -24.906 -17.515 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.895 -25.219 -17.768 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.827 -24.411 -17.435 1.00 13.43 C ATOM 0 H PHE A 31 -15.858 -30.877 -19.005 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.450 -29.035 -17.546 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.519 -28.430 -19.604 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -17.103 -28.885 -19.008 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.315 -26.588 -17.990 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.514 -27.146 -18.441 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.701 -24.277 -17.254 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.903 -24.836 -17.706 1.00 51.23 H new ATOM 0 HZ PHE A 31 -16.997 -23.394 -17.113 1.00 13.43 H new ATOM 451 N ASP A 32 -17.513 -29.179 -16.311 1.00 14.24 N ATOM 452 CA ASP A 32 -18.294 -28.995 -15.093 1.00 72.32 C ATOM 453 C ASP A 32 -18.059 -30.144 -14.118 1.00 72.42 C ATOM 454 O ASP A 32 -18.239 -29.994 -12.910 1.00 33.44 O ATOM 455 CB ASP A 32 -19.783 -28.891 -15.427 1.00 63.01 C ATOM 456 CG ASP A 32 -20.299 -30.113 -16.160 1.00 24.01 C ATOM 457 OD1 ASP A 32 -20.232 -30.130 -17.407 1.00 50.53 O ATOM 458 OD2 ASP A 32 -20.772 -31.053 -15.487 1.00 24.23 O ATOM 0 H ASP A 32 -18.070 -29.363 -17.145 1.00 14.24 H new ATOM 0 HA ASP A 32 -17.970 -28.068 -14.620 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.350 -28.757 -14.506 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.954 -28.005 -16.039 1.00 63.01 H new ATOM 463 N ASN A 33 -17.656 -31.293 -14.652 1.00 0.41 N ATOM 464 CA ASN A 33 -17.397 -32.469 -13.829 1.00 71.43 C ATOM 465 C ASN A 33 -16.449 -32.133 -12.682 1.00 5.31 C ATOM 466 O ASN A 33 -16.581 -32.658 -11.576 1.00 42.22 O ATOM 467 CB ASN A 33 -16.807 -33.594 -14.681 1.00 3.30 C ATOM 468 CG ASN A 33 -16.974 -34.956 -14.036 1.00 61.22 C ATOM 469 OD1 ASN A 33 -16.004 -35.693 -13.857 1.00 43.52 O ATOM 470 ND2 ASN A 33 -18.208 -35.298 -13.685 1.00 2.02 N ATOM 0 H ASN A 33 -17.502 -31.434 -15.650 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.345 -32.802 -13.407 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -17.289 -33.597 -15.659 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -15.747 -33.402 -14.848 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -18.382 -36.203 -13.248 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -18.982 -34.656 -13.852 1.00 2.02 H new ATOM 477 N LYS A 34 -15.490 -31.252 -12.953 1.00 61.14 N ATOM 478 CA LYS A 34 -14.519 -30.843 -11.945 1.00 61.34 C ATOM 479 C LYS A 34 -14.670 -29.361 -11.615 1.00 34.21 C ATOM 480 O LYS A 34 -14.330 -28.923 -10.516 1.00 0.52 O ATOM 481 CB LYS A 34 -13.097 -31.126 -12.434 1.00 4.45 C ATOM 482 CG LYS A 34 -12.796 -30.541 -13.802 1.00 54.12 C ATOM 483 CD LYS A 34 -12.290 -31.603 -14.764 1.00 72.43 C ATOM 484 CE LYS A 34 -10.863 -32.017 -14.437 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.818 -33.075 -13.392 1.00 34.51 N ATOM 0 H LYS A 34 -15.365 -30.808 -13.863 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.706 -31.420 -11.039 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.387 -30.723 -11.712 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -12.941 -32.204 -12.467 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.697 -30.081 -14.208 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -12.051 -29.752 -13.705 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -12.942 -32.475 -14.720 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.335 -31.222 -15.784 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.374 -32.379 -15.341 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.301 -31.147 -14.097 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -9.945 -33.631 -13.498 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -10.836 -32.634 -12.450 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -11.642 -33.701 -13.496 1.00 34.51 H new ATOM 499 N VAL A 35 -15.182 -28.595 -12.573 1.00 34.33 N ATOM 500 CA VAL A 35 -15.380 -27.163 -12.383 1.00 51.44 C ATOM 501 C VAL A 35 -16.549 -26.890 -11.441 1.00 12.33 C ATOM 502 O VAL A 35 -16.414 -26.154 -10.464 1.00 34.24 O ATOM 503 CB VAL A 35 -15.638 -26.449 -13.723 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.185 -25.051 -13.486 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.362 -26.399 -14.552 1.00 15.43 C ATOM 0 H VAL A 35 -15.467 -28.942 -13.489 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.463 -26.772 -11.943 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.385 -27.015 -14.280 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.361 -24.562 -14.444 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -17.123 -25.116 -12.934 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.464 -24.471 -12.910 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.561 -25.891 -15.496 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.593 -25.856 -14.003 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -14.018 -27.414 -14.751 1.00 15.43 H new ATOM 515 N THR A 36 -17.697 -27.489 -11.743 1.00 23.22 N ATOM 516 CA THR A 36 -18.889 -27.310 -10.925 1.00 25.31 C ATOM 517 C THR A 36 -18.717 -27.953 -9.554 1.00 21.25 C ATOM 518 O THR A 36 -19.404 -27.593 -8.598 1.00 61.41 O ATOM 519 CB THR A 36 -20.134 -27.910 -11.606 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.282 -27.103 -11.327 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.378 -29.333 -11.130 1.00 14.11 C ATOM 0 H THR A 36 -17.826 -28.102 -12.548 1.00 23.22 H new ATOM 0 HA THR A 36 -19.031 -26.236 -10.805 1.00 25.31 H new ATOM 0 HB THR A 36 -19.959 -27.930 -12.682 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.068 -27.491 -11.765 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.262 -29.736 -11.625 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.514 -29.951 -11.372 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.534 -29.334 -10.051 1.00 14.11 H new ATOM 529 N SER A 37 -17.793 -28.905 -9.463 1.00 14.22 N ATOM 530 CA SER A 37 -17.533 -29.600 -8.208 1.00 52.32 C ATOM 531 C SER A 37 -16.690 -28.737 -7.274 1.00 53.20 C ATOM 532 O SER A 37 -16.710 -28.919 -6.056 1.00 32.53 O ATOM 533 CB SER A 37 -16.821 -30.928 -8.474 1.00 12.31 C ATOM 534 OG SER A 37 -17.042 -31.846 -7.418 1.00 23.30 O ATOM 0 H SER A 37 -17.212 -29.212 -10.243 1.00 14.22 H new ATOM 0 HA SER A 37 -18.490 -29.799 -7.726 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.178 -31.354 -9.411 1.00 12.31 H new ATOM 0 HB3 SER A 37 -15.751 -30.754 -8.591 1.00 12.31 H new ATOM 0 HG SER A 37 -16.578 -32.687 -7.613 1.00 23.30 H new ATOM 540 N CYS A 38 -15.952 -27.797 -7.853 1.00 31.15 N ATOM 541 CA CYS A 38 -15.100 -26.905 -7.073 1.00 55.44 C ATOM 542 C CYS A 38 -15.931 -26.071 -6.102 1.00 24.01 C ATOM 543 O CYS A 38 -16.475 -25.031 -6.471 1.00 1.31 O ATOM 544 CB CYS A 38 -14.304 -25.986 -8.000 1.00 50.43 C ATOM 545 SG CYS A 38 -12.742 -25.403 -7.300 1.00 51.34 S ATOM 0 H CYS A 38 -15.926 -27.632 -8.859 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.406 -27.517 -6.497 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -14.097 -26.516 -8.930 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -14.920 -25.123 -8.255 1.00 50.43 H new ATOM 0 HG CYS A 38 -11.825 -25.409 -8.221 1.00 51.34 H new ATOM 551 N ASN A 39 -16.025 -26.538 -4.862 1.00 43.53 N ATOM 552 CA ASN A 39 -16.793 -25.837 -3.838 1.00 34.53 C ATOM 553 C ASN A 39 -15.868 -25.103 -2.872 1.00 40.14 C ATOM 554 O ASN A 39 -16.285 -24.684 -1.793 1.00 34.52 O ATOM 555 CB ASN A 39 -17.675 -26.822 -3.068 1.00 62.21 C ATOM 556 CG ASN A 39 -19.022 -27.033 -3.733 1.00 2.12 C ATOM 557 OD1 ASN A 39 -20.065 -26.717 -3.161 1.00 62.30 O ATOM 558 ND2 ASN A 39 -19.005 -27.570 -4.947 1.00 54.11 N ATOM 0 H ASN A 39 -15.580 -27.398 -4.541 1.00 43.53 H new ATOM 0 HA ASN A 39 -17.428 -25.103 -4.334 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -17.160 -27.779 -2.985 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -17.827 -26.453 -2.054 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -19.880 -27.736 -5.444 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -18.117 -27.817 -5.383 1.00 54.11 H new ATOM 565 N ASP A 40 -14.608 -24.952 -3.268 1.00 45.34 N ATOM 566 CA ASP A 40 -13.623 -24.268 -2.439 1.00 20.02 C ATOM 567 C ASP A 40 -13.543 -22.788 -2.799 1.00 50.34 C ATOM 568 O ASP A 40 -12.576 -22.107 -2.460 1.00 73.13 O ATOM 569 CB ASP A 40 -12.249 -24.920 -2.599 1.00 44.11 C ATOM 570 CG ASP A 40 -12.214 -26.336 -2.061 1.00 41.31 C ATOM 571 OD1 ASP A 40 -12.200 -26.502 -0.823 1.00 41.24 O ATOM 572 OD2 ASP A 40 -12.203 -27.281 -2.879 1.00 0.11 O ATOM 0 H ASP A 40 -14.246 -25.294 -4.158 1.00 45.34 H new ATOM 0 HA ASP A 40 -13.938 -24.354 -1.399 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -11.975 -24.928 -3.654 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -11.502 -24.319 -2.080 1.00 44.11 H new ATOM 577 N ASN A 41 -14.566 -22.295 -3.491 1.00 64.15 N ATOM 578 CA ASN A 41 -14.611 -20.897 -3.899 1.00 33.45 C ATOM 579 C ASN A 41 -13.346 -20.513 -4.662 1.00 33.24 C ATOM 580 O ASN A 41 -12.908 -19.362 -4.618 1.00 50.23 O ATOM 581 CB ASN A 41 -14.777 -19.992 -2.676 1.00 65.20 C ATOM 582 CG ASN A 41 -16.107 -20.201 -1.979 1.00 23.13 C ATOM 583 OD1 ASN A 41 -17.188 -20.183 -2.750 1.00 25.31 O flip ATOM 584 ND2 ASN A 41 -16.162 -20.378 -0.762 1.00 63.34 N flip ATOM 0 H ASN A 41 -15.375 -22.845 -3.781 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.468 -20.764 -4.560 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -13.967 -20.184 -1.972 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -14.691 -18.950 -2.984 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -15.305 -20.384 -0.208 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -17.064 -20.519 -0.307 1.00 63.34 H new ATOM 591 N ILE A 42 -12.765 -21.482 -5.360 1.00 30.15 N ATOM 592 CA ILE A 42 -11.552 -21.245 -6.133 1.00 31.32 C ATOM 593 C ILE A 42 -11.879 -20.966 -7.597 1.00 41.34 C ATOM 594 O ILE A 42 -12.701 -21.655 -8.202 1.00 12.51 O ATOM 595 CB ILE A 42 -10.590 -22.444 -6.053 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.339 -22.828 -4.593 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.278 -22.119 -6.753 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.440 -24.034 -4.431 1.00 74.15 C ATOM 0 H ILE A 42 -13.114 -22.439 -5.406 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.067 -20.371 -5.698 1.00 31.32 H new ATOM 0 HB ILE A 42 -11.049 -23.293 -6.559 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.892 -21.980 -4.074 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.295 -23.030 -4.109 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.609 -22.977 -6.688 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.472 -21.889 -7.801 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.813 -21.258 -6.273 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.306 -24.248 -3.371 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.895 -24.895 -4.921 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.470 -23.829 -4.885 1.00 74.15 H new ATOM 610 N LEU A 43 -11.229 -19.954 -8.159 1.00 40.54 N ATOM 611 CA LEU A 43 -11.449 -19.584 -9.554 1.00 63.50 C ATOM 612 C LEU A 43 -10.532 -20.378 -10.478 1.00 24.21 C ATOM 613 O LEU A 43 -9.308 -20.335 -10.341 1.00 62.32 O ATOM 614 CB LEU A 43 -11.215 -18.086 -9.748 1.00 50.44 C ATOM 615 CG LEU A 43 -9.847 -17.558 -9.312 1.00 62.42 C ATOM 616 CD1 LEU A 43 -8.924 -17.415 -10.512 1.00 51.24 C ATOM 617 CD2 LEU A 43 -9.995 -16.227 -8.589 1.00 42.21 C ATOM 0 H LEU A 43 -10.546 -19.375 -7.672 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.483 -19.819 -9.808 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.353 -17.851 -10.803 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -11.984 -17.544 -9.197 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.404 -18.276 -8.622 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -7.955 -17.038 -10.183 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -8.793 -18.387 -10.988 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.361 -16.717 -11.226 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.012 -15.866 -8.286 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -10.459 -15.500 -9.256 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -10.621 -16.360 -7.706 1.00 42.21 H new ATOM 629 N ILE A 44 -11.129 -21.100 -11.420 1.00 21.31 N ATOM 630 CA ILE A 44 -10.366 -21.901 -12.369 1.00 65.53 C ATOM 631 C ILE A 44 -10.277 -21.209 -13.725 1.00 4.02 C ATOM 632 O ILE A 44 -11.295 -20.878 -14.333 1.00 24.12 O ATOM 633 CB ILE A 44 -10.988 -23.297 -12.557 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.244 -23.952 -11.198 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.081 -24.171 -13.411 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.652 -23.751 -10.685 1.00 1.45 C ATOM 0 H ILE A 44 -12.140 -21.147 -11.546 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.364 -22.013 -11.954 1.00 65.53 H new ATOM 0 HB ILE A 44 -11.943 -23.187 -13.072 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.044 -25.021 -11.276 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.540 -23.548 -10.471 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -10.535 -25.154 -13.535 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -9.945 -23.708 -14.389 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.113 -24.277 -12.922 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.761 -24.242 -9.718 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.850 -22.685 -10.575 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.362 -24.181 -11.392 1.00 1.45 H new ATOM 648 N LEU A 45 -9.052 -20.994 -14.194 1.00 43.35 N ATOM 649 CA LEU A 45 -8.829 -20.343 -15.479 1.00 3.23 C ATOM 650 C LEU A 45 -8.614 -21.375 -16.582 1.00 11.21 C ATOM 651 O LEU A 45 -7.531 -21.947 -16.709 1.00 74.13 O ATOM 652 CB LEU A 45 -7.620 -19.408 -15.398 1.00 44.40 C ATOM 653 CG LEU A 45 -7.917 -17.964 -14.990 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.809 -17.803 -13.481 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.971 -17.005 -15.698 1.00 41.32 C ATOM 0 H LEU A 45 -8.199 -21.261 -13.703 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.717 -19.759 -15.720 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.908 -19.827 -14.686 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -7.129 -19.396 -16.371 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.937 -17.725 -15.289 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -8.023 -16.769 -13.209 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.526 -18.463 -12.992 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.800 -18.061 -13.159 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -7.197 -15.982 -15.396 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.942 -17.244 -15.429 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -7.096 -17.101 -16.777 1.00 41.32 H new ATOM 667 N VAL A 46 -9.651 -21.607 -17.380 1.00 2.42 N ATOM 668 CA VAL A 46 -9.575 -22.566 -18.474 1.00 64.44 C ATOM 669 C VAL A 46 -9.204 -21.879 -19.784 1.00 14.45 C ATOM 670 O VAL A 46 -9.925 -21.005 -20.263 1.00 14.22 O ATOM 671 CB VAL A 46 -10.908 -23.314 -18.659 1.00 13.24 C ATOM 672 CG1 VAL A 46 -11.163 -24.250 -17.487 1.00 34.10 C ATOM 673 CG2 VAL A 46 -12.055 -22.327 -18.822 1.00 71.13 C ATOM 0 H VAL A 46 -10.555 -21.143 -17.289 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.798 -23.284 -18.211 1.00 64.44 H new ATOM 0 HB VAL A 46 -10.844 -23.915 -19.566 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -12.110 -24.770 -17.636 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -10.355 -24.979 -17.421 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -11.207 -23.673 -16.563 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.989 -22.873 -18.952 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -12.123 -21.698 -17.934 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.876 -21.702 -19.697 1.00 71.13 H new ATOM 683 N ASP A 47 -8.076 -22.282 -20.358 1.00 71.33 N ATOM 684 CA ASP A 47 -7.609 -21.706 -21.614 1.00 75.44 C ATOM 685 C ASP A 47 -7.850 -22.667 -22.774 1.00 44.42 C ATOM 686 O ASP A 47 -7.891 -23.883 -22.589 1.00 2.15 O ATOM 687 CB ASP A 47 -6.122 -21.361 -21.520 1.00 2.13 C ATOM 688 CG ASP A 47 -5.232 -22.567 -21.754 1.00 51.30 C ATOM 689 OD1 ASP A 47 -4.905 -22.842 -22.927 1.00 35.11 O ATOM 690 OD2 ASP A 47 -4.866 -23.234 -20.764 1.00 25.30 O ATOM 0 H ASP A 47 -7.468 -23.005 -19.974 1.00 71.33 H new ATOM 0 HA ASP A 47 -8.174 -20.792 -21.799 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.884 -20.590 -22.252 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -5.911 -20.942 -20.536 1.00 2.13 H new ATOM 695 N PHE A 48 -8.009 -22.111 -23.972 1.00 52.31 N ATOM 696 CA PHE A 48 -8.247 -22.919 -25.162 1.00 61.22 C ATOM 697 C PHE A 48 -7.713 -22.219 -26.409 1.00 3.21 C ATOM 698 O PHE A 48 -7.930 -21.023 -26.604 1.00 44.32 O ATOM 699 CB PHE A 48 -9.742 -23.201 -25.322 1.00 14.53 C ATOM 700 CG PHE A 48 -10.605 -21.987 -25.128 1.00 12.12 C ATOM 701 CD1 PHE A 48 -10.803 -21.087 -26.162 1.00 52.21 C ATOM 702 CD2 PHE A 48 -11.217 -21.745 -23.908 1.00 11.40 C ATOM 703 CE1 PHE A 48 -11.597 -19.970 -25.986 1.00 54.22 C ATOM 704 CE2 PHE A 48 -12.012 -20.629 -23.726 1.00 0.41 C ATOM 705 CZ PHE A 48 -12.201 -19.739 -24.766 1.00 2.15 C ATOM 0 H PHE A 48 -7.977 -21.106 -24.143 1.00 52.31 H new ATOM 0 HA PHE A 48 -7.717 -23.864 -25.042 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -9.922 -23.610 -26.316 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -10.038 -23.966 -24.604 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -10.331 -21.260 -27.118 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -11.071 -22.436 -23.091 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -11.745 -19.278 -26.802 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -12.485 -20.453 -22.771 1.00 0.41 H new ATOM 0 HZ PHE A 48 -12.820 -18.865 -24.625 1.00 2.15 H new ATOM 884 N GLU A 60 3.716 -18.142 -22.395 1.00 12.25 N ATOM 885 CA GLU A 60 3.236 -17.376 -21.251 1.00 32.45 C ATOM 886 C GLU A 60 3.202 -18.240 -19.994 1.00 55.42 C ATOM 887 O GLU A 60 2.140 -18.603 -19.489 1.00 62.12 O ATOM 888 CB GLU A 60 1.843 -16.812 -21.534 1.00 30.34 C ATOM 889 CG GLU A 60 1.764 -15.998 -22.815 1.00 32.33 C ATOM 890 CD GLU A 60 0.343 -15.839 -23.317 1.00 23.13 C ATOM 891 OE1 GLU A 60 -0.559 -15.613 -22.483 1.00 35.42 O ATOM 892 OE2 GLU A 60 0.132 -15.939 -24.544 1.00 50.14 O ATOM 0 HA GLU A 60 3.927 -16.549 -21.084 1.00 32.45 H new ATOM 0 HB2 GLU A 60 1.132 -17.636 -21.593 1.00 30.34 H new ATOM 0 HB3 GLU A 60 1.537 -16.186 -20.696 1.00 30.34 H new ATOM 0 HG2 GLU A 60 2.197 -15.013 -22.642 1.00 32.33 H new ATOM 0 HG3 GLU A 60 2.366 -16.480 -23.585 1.00 32.33 H new ATOM 899 N PRO A 61 4.392 -18.579 -19.476 1.00 14.41 N ATOM 900 CA PRO A 61 4.526 -19.404 -18.272 1.00 50.20 C ATOM 901 C PRO A 61 4.078 -18.671 -17.013 1.00 41.53 C ATOM 902 O PRO A 61 3.999 -19.260 -15.936 1.00 22.32 O ATOM 903 CB PRO A 61 6.027 -19.702 -18.211 1.00 62.02 C ATOM 904 CG PRO A 61 6.666 -18.575 -18.945 1.00 1.52 C ATOM 905 CD PRO A 61 5.699 -18.181 -20.026 1.00 3.21 C ATOM 0 HA PRO A 61 3.901 -20.296 -18.319 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.379 -19.754 -17.181 1.00 62.02 H new ATOM 0 HB3 PRO A 61 6.260 -20.660 -18.676 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.866 -17.738 -18.276 1.00 1.52 H new ATOM 0 HG3 PRO A 61 7.623 -18.879 -19.370 1.00 1.52 H new ATOM 0 HD2 PRO A 61 5.740 -17.111 -20.231 1.00 3.21 H new ATOM 0 HD3 PRO A 61 5.914 -18.694 -20.964 1.00 3.21 H new ATOM 913 N GLN A 62 3.784 -17.382 -17.158 1.00 11.15 N ATOM 914 CA GLN A 62 3.344 -16.569 -16.031 1.00 4.33 C ATOM 915 C GLN A 62 2.121 -17.185 -15.360 1.00 54.12 C ATOM 916 O GLN A 62 1.949 -17.081 -14.144 1.00 64.54 O ATOM 917 CB GLN A 62 3.023 -15.147 -16.496 1.00 70.43 C ATOM 918 CG GLN A 62 4.140 -14.502 -17.299 1.00 42.43 C ATOM 919 CD GLN A 62 3.941 -14.643 -18.795 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.822 -15.122 -19.509 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.777 -14.224 -19.279 1.00 53.33 N ATOM 0 H GLN A 62 3.843 -16.880 -18.044 1.00 11.15 H new ATOM 0 HA GLN A 62 4.155 -16.532 -15.303 1.00 4.33 H new ATOM 0 HB2 GLN A 62 2.117 -15.168 -17.102 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.810 -14.528 -15.624 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.202 -13.444 -17.043 1.00 42.43 H new ATOM 0 HG3 GLN A 62 5.091 -14.954 -17.019 1.00 42.43 H new ATOM 0 HE21 GLN A 62 2.075 -13.833 -18.651 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.586 -14.293 -20.279 1.00 53.33 H new ATOM 930 N LEU A 63 1.275 -17.827 -16.157 1.00 3.30 N ATOM 931 CA LEU A 63 0.067 -18.461 -15.640 1.00 51.52 C ATOM 932 C LEU A 63 0.415 -19.557 -14.638 1.00 11.10 C ATOM 933 O LEU A 63 -0.277 -19.735 -13.635 1.00 50.22 O ATOM 934 CB LEU A 63 -0.757 -19.046 -16.788 1.00 63.14 C ATOM 935 CG LEU A 63 0.006 -19.918 -17.785 1.00 4.31 C ATOM 936 CD1 LEU A 63 -0.110 -21.387 -17.408 1.00 33.34 C ATOM 937 CD2 LEU A 63 -0.509 -19.687 -19.199 1.00 44.21 C ATOM 0 H LEU A 63 1.403 -17.923 -17.164 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.523 -17.701 -15.129 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -1.566 -19.639 -16.362 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.218 -18.223 -17.334 1.00 63.14 H new ATOM 0 HG LEU A 63 1.059 -19.637 -17.752 1.00 4.31 H new ATOM 0 HD11 LEU A 63 0.439 -21.992 -18.129 1.00 33.34 H new ATOM 0 HD12 LEU A 63 0.307 -21.541 -16.413 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -1.159 -21.682 -17.412 1.00 33.34 H new ATOM 0 HD21 LEU A 63 0.046 -20.316 -19.895 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -1.568 -19.940 -19.246 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -0.374 -18.640 -19.469 1.00 44.21 H new ATOM 949 N GLU A 64 1.490 -20.287 -14.916 1.00 45.21 N ATOM 950 CA GLU A 64 1.928 -21.365 -14.037 1.00 2.31 C ATOM 951 C GLU A 64 2.569 -20.806 -12.770 1.00 45.41 C ATOM 952 O GLU A 64 2.190 -21.170 -11.656 1.00 21.22 O ATOM 953 CB GLU A 64 2.920 -22.274 -14.765 1.00 23.31 C ATOM 954 CG GLU A 64 2.370 -22.870 -16.049 1.00 22.31 C ATOM 955 CD GLU A 64 3.003 -24.205 -16.392 1.00 12.53 C ATOM 956 OE1 GLU A 64 2.744 -25.189 -15.668 1.00 32.21 O ATOM 957 OE2 GLU A 64 3.758 -24.264 -17.386 1.00 51.52 O ATOM 0 H GLU A 64 2.073 -20.152 -15.742 1.00 45.21 H new ATOM 0 HA GLU A 64 1.052 -21.948 -13.754 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.820 -21.704 -14.995 1.00 23.31 H new ATOM 0 HB3 GLU A 64 3.217 -23.083 -14.097 1.00 23.31 H new ATOM 0 HG2 GLU A 64 1.292 -22.998 -15.953 1.00 22.31 H new ATOM 0 HG3 GLU A 64 2.537 -22.172 -16.869 1.00 22.31 H new ATOM 964 N LYS A 65 3.545 -19.921 -12.947 1.00 53.21 N ATOM 965 CA LYS A 65 4.239 -19.311 -11.819 1.00 34.44 C ATOM 966 C LYS A 65 3.247 -18.692 -10.840 1.00 3.12 C ATOM 967 O LYS A 65 3.398 -18.820 -9.624 1.00 2.53 O ATOM 968 CB LYS A 65 5.217 -18.243 -12.314 1.00 20.12 C ATOM 969 CG LYS A 65 6.040 -17.611 -11.206 1.00 22.54 C ATOM 970 CD LYS A 65 5.485 -16.256 -10.802 1.00 64.11 C ATOM 971 CE LYS A 65 6.442 -15.512 -9.883 1.00 75.14 C ATOM 972 NZ LYS A 65 6.193 -14.044 -9.893 1.00 55.11 N ATOM 0 H LYS A 65 3.873 -19.610 -13.861 1.00 53.21 H new ATOM 0 HA LYS A 65 4.795 -20.092 -11.300 1.00 34.44 H new ATOM 0 HB2 LYS A 65 5.890 -18.690 -13.045 1.00 20.12 H new ATOM 0 HB3 LYS A 65 4.658 -17.462 -12.831 1.00 20.12 H new ATOM 0 HG2 LYS A 65 6.054 -18.272 -10.340 1.00 22.54 H new ATOM 0 HG3 LYS A 65 7.072 -17.498 -11.538 1.00 22.54 H new ATOM 0 HD2 LYS A 65 5.297 -15.658 -11.694 1.00 64.11 H new ATOM 0 HD3 LYS A 65 4.527 -16.389 -10.300 1.00 64.11 H new ATOM 0 HE2 LYS A 65 6.337 -15.891 -8.866 1.00 75.14 H new ATOM 0 HE3 LYS A 65 7.469 -15.708 -10.192 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 6.866 -13.573 -9.254 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 6.318 -13.677 -10.858 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 5.222 -13.854 -9.573 1.00 55.11 H new ATOM 986 N LEU A 66 2.233 -18.022 -11.376 1.00 62.23 N ATOM 987 CA LEU A 66 1.214 -17.385 -10.548 1.00 42.40 C ATOM 988 C LEU A 66 0.226 -18.415 -10.011 1.00 34.31 C ATOM 989 O LEU A 66 -0.229 -18.317 -8.872 1.00 43.55 O ATOM 990 CB LEU A 66 0.470 -16.318 -11.353 1.00 35.22 C ATOM 991 CG LEU A 66 1.082 -14.918 -11.340 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.163 -14.383 -9.919 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.461 -14.933 -11.985 1.00 20.50 C ATOM 0 H LEU A 66 2.094 -17.906 -12.380 1.00 62.23 H new ATOM 0 HA LEU A 66 1.712 -16.912 -9.702 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.403 -16.654 -12.388 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.549 -16.250 -10.973 1.00 35.22 H new ATOM 0 HG LEU A 66 0.438 -14.256 -11.919 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.601 -13.385 -9.930 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.162 -14.335 -9.491 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.784 -15.045 -9.316 1.00 3.13 H new ATOM 0 HD21 LEU A 66 2.882 -13.928 -11.967 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.113 -15.610 -11.433 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.376 -15.272 -13.017 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.099 -19.403 -10.837 1.00 62.40 N ATOM 1006 CA ALA A 67 -1.029 -20.454 -10.443 1.00 31.15 C ATOM 1007 C ALA A 67 -0.622 -21.077 -9.112 1.00 1.14 C ATOM 1008 O ALA A 67 -1.467 -21.341 -8.257 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.110 -21.521 -11.525 1.00 20.14 C ATOM 0 H ALA A 67 0.268 -19.498 -11.784 1.00 62.40 H new ATOM 0 HA ALA A 67 -2.014 -20.004 -10.318 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.808 -22.299 -11.217 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.456 -21.070 -12.455 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.124 -21.959 -11.679 1.00 20.14 H new ATOM 1015 N GLN A 68 0.676 -21.310 -8.946 1.00 12.15 N ATOM 1016 CA GLN A 68 1.193 -21.904 -7.718 1.00 64.31 C ATOM 1017 C GLN A 68 1.280 -20.865 -6.606 1.00 50.20 C ATOM 1018 O GLN A 68 1.145 -21.192 -5.427 1.00 5.42 O ATOM 1019 CB GLN A 68 2.571 -22.520 -7.967 1.00 4.24 C ATOM 1020 CG GLN A 68 2.625 -23.420 -9.191 1.00 32.35 C ATOM 1021 CD GLN A 68 3.915 -24.209 -9.278 1.00 43.12 C ATOM 1022 OE1 GLN A 68 3.983 -25.362 -8.849 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.950 -23.593 -9.838 1.00 1.41 N ATOM 0 H GLN A 68 1.388 -21.097 -9.645 1.00 12.15 H new ATOM 0 HA GLN A 68 0.504 -22.688 -7.404 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.302 -21.719 -8.083 1.00 4.24 H new ATOM 0 HB3 GLN A 68 2.866 -23.096 -7.090 1.00 4.24 H new ATOM 0 HG2 GLN A 68 1.782 -24.111 -9.167 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.514 -22.813 -10.089 1.00 32.35 H new ATOM 0 HE21 GLN A 68 4.851 -22.637 -10.180 1.00 1.41 H new ATOM 0 HE22 GLN A 68 5.844 -24.076 -9.926 1.00 1.41 H new ATOM 1032 N GLN A 69 1.507 -19.612 -6.988 1.00 75.41 N ATOM 1033 CA GLN A 69 1.614 -18.526 -6.021 1.00 73.40 C ATOM 1034 C GLN A 69 0.282 -18.294 -5.316 1.00 43.13 C ATOM 1035 O GLN A 69 0.245 -17.982 -4.125 1.00 45.10 O ATOM 1036 CB GLN A 69 2.068 -17.241 -6.716 1.00 50.41 C ATOM 1037 CG GLN A 69 3.562 -17.192 -6.989 1.00 72.14 C ATOM 1038 CD GLN A 69 4.237 -16.004 -6.333 1.00 5.22 C ATOM 1039 OE1 GLN A 69 4.730 -15.079 -7.148 1.00 1.33 O flip ATOM 1040 NE2 GLN A 69 4.315 -15.919 -5.108 1.00 61.43 N flip ATOM 0 H GLN A 69 1.620 -19.324 -7.960 1.00 75.41 H new ATOM 0 HA GLN A 69 2.356 -18.808 -5.274 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.531 -17.139 -7.659 1.00 50.41 H new ATOM 0 HB3 GLN A 69 1.792 -16.387 -6.098 1.00 50.41 H new ATOM 0 HG2 GLN A 69 4.023 -18.112 -6.629 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.730 -17.151 -8.065 1.00 72.14 H new ATOM 0 HE21 GLN A 69 3.922 -16.654 -4.520 1.00 61.43 H new ATOM 0 HE22 GLN A 69 4.773 -15.114 -4.681 1.00 61.43 H new ATOM 1049 N TYR A 70 -0.810 -18.448 -6.057 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.144 -18.252 -5.502 1.00 13.24 C ATOM 1051 C TYR A 70 -2.980 -19.521 -5.634 1.00 13.40 C ATOM 1052 O TYR A 70 -4.211 -19.472 -5.635 1.00 60.12 O ATOM 1053 CB TYR A 70 -2.846 -17.090 -6.206 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.109 -15.775 -6.087 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -2.034 -15.106 -4.872 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -1.486 -15.203 -7.189 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -1.363 -13.904 -4.758 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -0.810 -14.003 -7.085 1.00 43.53 C ATOM 1059 CZ TYR A 70 -0.752 -13.357 -5.867 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.080 -12.161 -5.759 1.00 32.23 O ATOM 0 H TYR A 70 -0.797 -18.708 -7.043 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.039 -18.016 -4.443 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -2.966 -17.335 -7.261 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -3.847 -16.975 -5.789 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -2.509 -15.533 -4.001 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -1.531 -15.705 -8.144 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -1.317 -13.396 -3.806 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -0.330 -13.573 -7.952 1.00 43.53 H new ATOM 0 HH TYR A 70 0.294 -11.916 -6.631 1.00 32.23 H new ATOM 1070 N THR A 71 -2.303 -20.660 -5.744 1.00 53.31 N ATOM 1071 CA THR A 71 -2.981 -21.943 -5.877 1.00 63.45 C ATOM 1072 C THR A 71 -3.994 -22.149 -4.756 1.00 25.02 C ATOM 1073 O THR A 71 -4.946 -22.915 -4.901 1.00 11.42 O ATOM 1074 CB THR A 71 -1.978 -23.112 -5.868 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.673 -24.355 -6.025 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.181 -23.131 -4.572 1.00 62.15 C ATOM 0 H THR A 71 -1.285 -20.720 -5.744 1.00 53.31 H new ATOM 0 HA THR A 71 -3.501 -21.927 -6.835 1.00 63.45 H new ATOM 0 HB THR A 71 -1.286 -22.975 -6.699 1.00 51.51 H new ATOM 0 HG1 THR A 71 -2.028 -25.093 -6.020 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.479 -23.965 -4.589 1.00 62.15 H new ATOM 0 HG22 THR A 71 -0.631 -22.196 -4.470 1.00 62.15 H new ATOM 0 HG23 THR A 71 -1.861 -23.246 -3.728 1.00 62.15 H new ATOM 1084 N GLU A 72 -3.783 -21.457 -3.641 1.00 42.03 N ATOM 1085 CA GLU A 72 -4.680 -21.564 -2.496 1.00 25.13 C ATOM 1086 C GLU A 72 -6.124 -21.294 -2.908 1.00 64.22 C ATOM 1087 O GLU A 72 -7.048 -21.961 -2.444 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.259 -20.586 -1.397 1.00 62.10 C ATOM 1089 CG GLU A 72 -2.952 -20.958 -0.718 1.00 10.13 C ATOM 1090 CD GLU A 72 -2.404 -19.840 0.147 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -2.416 -18.677 -0.311 1.00 3.33 O ATOM 1092 OE2 GLU A 72 -1.965 -20.125 1.279 1.00 54.20 O ATOM 0 H GLU A 72 -3.000 -20.817 -3.506 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.616 -22.582 -2.111 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.164 -19.589 -1.827 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.047 -20.536 -0.646 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.106 -21.845 -0.104 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.215 -21.220 -1.477 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.310 -20.310 -3.781 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.641 -19.949 -4.255 1.00 72.45 C ATOM 1101 C ASN A 73 -7.632 -19.695 -5.760 1.00 43.54 C ATOM 1102 O ASN A 73 -8.485 -18.979 -6.284 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.148 -18.708 -3.520 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.655 -18.713 -3.347 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.167 -19.056 -2.282 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -10.371 -18.331 -4.397 1.00 12.25 N ATOM 0 H ASN A 73 -5.555 -19.748 -4.175 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.311 -20.783 -4.049 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -7.673 -18.650 -2.541 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -7.851 -17.816 -4.072 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -11.389 -18.313 -4.341 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -9.903 -18.055 -5.260 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.662 -20.287 -6.449 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.542 -20.126 -7.893 1.00 42.34 C ATOM 1115 C VAL A 74 -6.268 -21.462 -8.574 1.00 24.52 C ATOM 1116 O VAL A 74 -5.565 -22.316 -8.031 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.418 -19.138 -8.257 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.320 -18.973 -9.766 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.651 -17.795 -7.580 1.00 13.41 C ATOM 0 H VAL A 74 -5.948 -20.883 -6.030 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.493 -19.729 -8.247 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.472 -19.542 -7.898 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.521 -18.271 -10.004 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -5.104 -19.938 -10.224 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.265 -18.591 -10.152 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -4.848 -17.108 -7.848 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.605 -17.383 -7.908 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.667 -17.931 -6.499 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.827 -21.639 -9.766 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.643 -22.870 -10.523 1.00 54.30 C ATOM 1131 C LYS A 75 -6.570 -22.584 -12.020 1.00 41.22 C ATOM 1132 O LYS A 75 -6.972 -21.512 -12.476 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.787 -23.846 -10.236 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.468 -24.853 -9.145 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.634 -26.006 -9.676 1.00 22.44 C ATOM 1136 CE LYS A 75 -5.879 -26.710 -8.560 1.00 73.13 C ATOM 1137 NZ LYS A 75 -4.537 -26.106 -8.330 1.00 54.32 N ATOM 0 H LYS A 75 -7.412 -20.944 -10.229 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.701 -23.321 -10.210 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.673 -23.280 -9.948 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -8.035 -24.382 -11.152 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -6.931 -24.357 -8.337 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.396 -25.239 -8.722 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -7.281 -26.720 -10.185 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.926 -25.633 -10.416 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -6.462 -26.661 -7.640 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -5.764 -27.765 -8.809 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -4.055 -26.614 -7.562 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -3.971 -26.176 -9.200 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -4.647 -25.106 -8.068 1.00 54.32 H new ATOM 1151 N ILE A 76 -6.057 -23.546 -12.778 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.935 -23.396 -14.223 1.00 74.21 C ATOM 1153 C ILE A 76 -6.076 -24.741 -14.929 1.00 73.53 C ATOM 1154 O ILE A 76 -5.610 -25.767 -14.433 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.585 -22.765 -14.611 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.421 -21.402 -13.934 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.479 -22.627 -16.122 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -3.156 -20.677 -14.335 1.00 71.25 C ATOM 0 H ILE A 76 -5.719 -24.438 -12.416 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.741 -22.735 -14.541 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.783 -23.419 -14.268 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -5.281 -20.778 -14.178 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.424 -21.540 -12.853 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.519 -22.179 -16.380 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.556 -23.611 -16.584 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -5.286 -21.991 -16.487 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -3.106 -19.719 -13.817 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.290 -21.281 -14.066 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -3.159 -20.508 -15.412 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.720 -24.728 -16.091 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.922 -25.946 -16.865 1.00 41.33 C ATOM 1172 C TYR A 77 -6.703 -25.688 -18.354 1.00 64.33 C ATOM 1173 O TYR A 77 -7.010 -24.609 -18.861 1.00 10.43 O ATOM 1174 CB TYR A 77 -8.332 -26.493 -16.634 1.00 72.10 C ATOM 1175 CG TYR A 77 -8.465 -27.307 -15.367 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -7.516 -28.264 -15.029 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -9.539 -27.118 -14.506 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -7.634 -29.010 -13.872 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -9.665 -27.859 -13.346 1.00 23.03 C ATOM 1180 CZ TYR A 77 -8.710 -28.803 -13.034 1.00 14.33 C ATOM 1181 OH TYR A 77 -8.830 -29.544 -11.881 1.00 41.31 O ATOM 0 H TYR A 77 -7.111 -23.888 -16.517 1.00 44.05 H new ATOM 0 HA TYR A 77 -6.193 -26.684 -16.531 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -9.034 -25.660 -16.596 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -8.617 -27.112 -17.485 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -6.671 -28.428 -15.682 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -10.289 -26.379 -14.747 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -6.888 -29.751 -13.625 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -10.506 -27.699 -12.688 1.00 23.03 H new ATOM 0 HH TYR A 77 -9.642 -29.275 -11.402 1.00 41.31 H new ATOM 1191 N LYS A 78 -6.170 -26.688 -19.047 1.00 23.53 N ATOM 1192 CA LYS A 78 -5.910 -26.573 -20.478 1.00 3.52 C ATOM 1193 C LYS A 78 -6.610 -27.687 -21.249 1.00 53.52 C ATOM 1194 O LYS A 78 -7.335 -28.496 -20.668 1.00 32.22 O ATOM 1195 CB LYS A 78 -4.405 -26.620 -20.748 1.00 32.21 C ATOM 1196 CG LYS A 78 -3.727 -27.865 -20.202 1.00 32.34 C ATOM 1197 CD LYS A 78 -2.223 -27.822 -20.420 1.00 31.11 C ATOM 1198 CE LYS A 78 -1.619 -29.217 -20.410 1.00 21.42 C ATOM 1199 NZ LYS A 78 -0.148 -29.184 -20.171 1.00 41.41 N ATOM 0 H LYS A 78 -5.909 -27.587 -18.642 1.00 23.53 H new ATOM 0 HA LYS A 78 -6.305 -25.616 -20.818 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -4.236 -26.566 -21.823 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -3.938 -25.739 -20.307 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -3.939 -27.958 -19.137 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -4.141 -28.749 -20.688 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -2.006 -27.337 -21.372 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -1.758 -27.218 -19.641 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -2.099 -29.815 -19.636 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -1.821 -29.707 -21.362 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 0.226 -30.155 -20.172 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 0.314 -28.635 -20.924 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 0.044 -28.740 -19.251 1.00 41.41 H new ATOM 1490 N THR A 98 -8.200 -17.834 -25.535 1.00 45.20 N ATOM 1491 CA THR A 98 -8.927 -17.086 -24.517 1.00 23.33 C ATOM 1492 C THR A 98 -9.077 -17.903 -23.237 1.00 42.13 C ATOM 1493 O THR A 98 -9.240 -19.123 -23.285 1.00 12.55 O ATOM 1494 CB THR A 98 -10.325 -16.673 -25.015 1.00 62.14 C ATOM 1495 OG1 THR A 98 -10.206 -15.834 -26.168 1.00 63.21 O ATOM 1496 CG2 THR A 98 -11.093 -15.940 -23.925 1.00 55.04 C ATOM 0 HA THR A 98 -8.344 -16.189 -24.307 1.00 23.33 H new ATOM 0 HB THR A 98 -10.874 -17.577 -25.279 1.00 62.14 H new ATOM 0 HG1 THR A 98 -9.399 -16.077 -26.668 1.00 63.21 H new ATOM 0 HG21 THR A 98 -12.077 -15.658 -24.300 1.00 55.04 H new ATOM 0 HG22 THR A 98 -11.208 -16.592 -23.059 1.00 55.04 H new ATOM 0 HG23 THR A 98 -10.545 -15.044 -23.634 1.00 55.04 H new ATOM 1504 N ILE A 99 -9.021 -17.223 -22.098 1.00 62.15 N ATOM 1505 CA ILE A 99 -9.152 -17.885 -20.807 1.00 43.54 C ATOM 1506 C ILE A 99 -10.424 -17.446 -20.090 1.00 65.44 C ATOM 1507 O ILE A 99 -10.779 -16.268 -20.099 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.940 -17.598 -19.900 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.636 -17.831 -20.665 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.991 -18.469 -18.654 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.399 -17.464 -19.877 1.00 74.33 C ATOM 0 H ILE A 99 -8.886 -16.214 -22.043 1.00 62.15 H new ATOM 0 HA ILE A 99 -9.201 -18.956 -21.006 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.977 -16.553 -19.591 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -6.576 -18.881 -20.952 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.656 -17.249 -21.586 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -7.128 -18.254 -18.024 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.906 -18.258 -18.100 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.976 -19.520 -18.944 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.512 -17.655 -20.482 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -5.437 -16.407 -19.612 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.355 -18.064 -18.968 1.00 74.33 H new ATOM 1523 N LEU A 100 -11.105 -18.402 -19.467 1.00 14.13 N ATOM 1524 CA LEU A 100 -12.338 -18.115 -18.743 1.00 74.13 C ATOM 1525 C LEU A 100 -12.222 -18.537 -17.282 1.00 51.03 C ATOM 1526 O LEU A 100 -11.669 -19.591 -16.972 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.519 -18.832 -19.400 1.00 11.41 C ATOM 1528 CG LEU A 100 -14.222 -18.074 -20.526 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -15.336 -18.919 -21.124 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.771 -16.750 -20.015 1.00 10.22 C ATOM 0 H LEU A 100 -10.824 -19.382 -19.449 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.509 -17.039 -18.780 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -13.166 -19.784 -19.796 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -14.254 -19.060 -18.629 1.00 11.41 H new ATOM 0 HG LEU A 100 -13.492 -17.865 -21.308 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -15.825 -18.363 -21.924 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -14.917 -19.841 -21.527 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -16.066 -19.159 -20.351 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -15.268 -16.224 -20.830 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.486 -16.938 -19.214 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -13.952 -16.139 -19.635 1.00 10.22 H new ATOM 1542 N MET A 101 -12.750 -17.706 -16.388 1.00 44.04 N ATOM 1543 CA MET A 101 -12.709 -17.996 -14.959 1.00 51.33 C ATOM 1544 C MET A 101 -14.045 -18.551 -14.478 1.00 12.11 C ATOM 1545 O MET A 101 -15.067 -17.868 -14.531 1.00 52.43 O ATOM 1546 CB MET A 101 -12.355 -16.732 -14.172 1.00 34.22 C ATOM 1547 CG MET A 101 -10.870 -16.406 -14.180 1.00 12.34 C ATOM 1548 SD MET A 101 -10.443 -15.083 -13.033 1.00 53.14 S ATOM 1549 CE MET A 101 -8.977 -14.414 -13.817 1.00 41.24 C ATOM 0 H MET A 101 -13.210 -16.828 -16.628 1.00 44.04 H new ATOM 0 HA MET A 101 -11.941 -18.750 -14.788 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.906 -15.889 -14.588 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.687 -16.851 -13.141 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.304 -17.301 -13.923 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.571 -16.118 -15.188 1.00 12.34 H new ATOM 0 HE1 MET A 101 -8.972 -13.329 -13.713 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.088 -14.829 -13.341 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.978 -14.677 -14.875 1.00 41.24 H new ATOM 1559 N PHE A 102 -14.029 -19.794 -14.008 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.240 -20.442 -13.518 1.00 22.24 C ATOM 1561 C PHE A 102 -15.123 -20.760 -12.030 1.00 24.11 C ATOM 1562 O PHE A 102 -14.026 -20.964 -11.511 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.511 -21.725 -14.306 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.921 -21.479 -15.730 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -17.198 -21.032 -16.030 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -15.029 -21.694 -16.768 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -17.577 -20.805 -17.339 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -15.403 -21.470 -18.080 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.678 -21.023 -18.366 1.00 21.31 C ATOM 0 H PHE A 102 -13.191 -20.373 -13.956 1.00 41.14 H new ATOM 0 HA PHE A 102 -16.073 -19.754 -13.660 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.614 -22.344 -14.296 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.295 -22.292 -13.803 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.905 -20.859 -15.232 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -14.030 -22.041 -16.550 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -18.575 -20.457 -17.560 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -14.699 -21.644 -18.880 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.972 -20.844 -19.390 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.263 -20.799 -11.349 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.291 -21.093 -9.920 1.00 14.34 C ATOM 1581 C LYS A 103 -17.720 -21.334 -9.443 1.00 42.13 C ATOM 1582 O LYS A 103 -18.593 -20.485 -9.614 1.00 4.33 O ATOM 1583 CB LYS A 103 -15.665 -19.942 -9.130 1.00 55.11 C ATOM 1584 CG LYS A 103 -15.733 -20.131 -7.624 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.328 -18.867 -6.885 1.00 73.44 C ATOM 1586 CE LYS A 103 -16.362 -18.478 -5.839 1.00 31.03 C ATOM 1587 NZ LYS A 103 -16.522 -17.000 -5.742 1.00 61.33 N ATOM 0 H LYS A 103 -17.180 -20.631 -11.763 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.712 -22.000 -9.749 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.622 -19.833 -9.427 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -16.171 -19.013 -9.395 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -16.746 -20.413 -7.337 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -15.079 -20.951 -7.329 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -14.362 -19.019 -6.404 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -15.205 -18.051 -7.597 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -17.321 -18.932 -6.090 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -16.065 -18.876 -4.869 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -17.235 -16.775 -5.019 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -15.613 -16.569 -5.478 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -16.830 -16.623 -6.661 1.00 61.33 H new ATOM 1601 N ASN A 104 -17.949 -22.497 -8.841 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.272 -22.849 -8.338 1.00 62.34 C ATOM 1603 C ASN A 104 -20.330 -22.684 -9.424 1.00 50.33 C ATOM 1604 O ASN A 104 -21.469 -22.310 -9.146 1.00 40.20 O ATOM 1605 CB ASN A 104 -19.628 -21.981 -7.128 1.00 11.23 C ATOM 1606 CG ASN A 104 -20.869 -22.473 -6.409 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.192 -23.661 -6.447 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -21.571 -21.560 -5.749 1.00 61.13 N ATOM 0 H ASN A 104 -17.236 -23.211 -8.690 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.250 -23.895 -8.034 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -18.789 -21.970 -6.433 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -19.784 -20.953 -7.455 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -22.416 -21.832 -5.246 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -21.266 -20.587 -5.745 1.00 61.13 H new ATOM 1615 N GLY A 105 -19.944 -22.964 -10.666 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.870 -22.842 -11.776 1.00 3.40 C ATOM 1617 C GLY A 105 -21.158 -21.397 -12.134 1.00 72.24 C ATOM 1618 O GLY A 105 -22.226 -21.080 -12.658 1.00 44.34 O ATOM 0 H GLY A 105 -19.006 -23.273 -10.922 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.459 -23.354 -12.646 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.804 -23.344 -11.523 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.205 -20.517 -11.848 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.360 -19.097 -12.142 1.00 23.53 C ATOM 1624 C LYS A 106 -19.083 -18.523 -12.745 1.00 52.51 C ATOM 1625 O LYS A 106 -18.007 -19.110 -12.623 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.726 -18.329 -10.870 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.973 -18.852 -10.181 1.00 13.01 C ATOM 1628 CD LYS A 106 -22.662 -17.764 -9.373 1.00 34.42 C ATOM 1629 CE LYS A 106 -23.384 -16.773 -10.274 1.00 12.25 C ATOM 1630 NZ LYS A 106 -24.782 -17.198 -10.557 1.00 53.44 N ATOM 0 H LYS A 106 -19.316 -20.762 -11.412 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.164 -18.988 -12.869 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -19.889 -18.377 -10.173 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -20.873 -17.278 -11.120 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -22.664 -19.245 -10.927 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -21.707 -19.681 -9.525 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -23.375 -18.217 -8.684 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -21.925 -17.237 -8.768 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -23.392 -15.791 -9.801 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -22.838 -16.671 -11.212 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -25.240 -16.497 -11.174 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -24.774 -18.124 -11.031 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -25.310 -17.271 -9.664 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.207 -17.371 -13.397 1.00 5.15 N ATOM 1645 CA LYS A 107 -18.062 -16.717 -14.018 1.00 22.41 C ATOM 1646 C LYS A 107 -17.489 -15.639 -13.102 1.00 2.12 C ATOM 1647 O LYS A 107 -18.232 -14.900 -12.456 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.467 -16.098 -15.358 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.678 -15.188 -15.266 1.00 53.43 C ATOM 1650 CD LYS A 107 -20.945 -15.897 -15.717 1.00 74.10 C ATOM 1651 CE LYS A 107 -21.076 -15.893 -17.233 1.00 71.11 C ATOM 1652 NZ LYS A 107 -21.461 -14.553 -17.753 1.00 25.43 N ATOM 0 H LYS A 107 -20.089 -16.872 -13.509 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.294 -17.471 -14.190 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -17.626 -15.530 -15.755 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -18.677 -16.897 -16.069 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -19.799 -14.844 -14.239 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -19.517 -14.303 -15.881 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -20.937 -16.925 -15.354 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -21.813 -15.409 -15.274 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -20.130 -16.198 -17.680 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -21.822 -16.628 -17.535 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -21.737 -14.635 -18.752 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -22.262 -14.184 -17.202 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -20.654 -13.903 -17.669 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.164 -15.555 -13.052 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.491 -14.566 -12.216 1.00 31.31 C ATOM 1668 C LEU A 108 -14.811 -13.502 -13.071 1.00 60.45 C ATOM 1669 O LEU A 108 -14.683 -12.350 -12.660 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.459 -15.249 -11.315 1.00 53.53 C ATOM 1671 CG LEU A 108 -14.972 -16.418 -10.473 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -16.355 -16.111 -9.921 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -14.997 -17.698 -11.296 1.00 44.43 C ATOM 0 H LEU A 108 -15.534 -16.159 -13.580 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.243 -14.080 -11.594 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.642 -15.609 -11.940 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.040 -14.500 -10.643 1.00 53.53 H new ATOM 0 HG LEU A 108 -14.291 -16.562 -9.634 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -16.704 -16.954 -9.325 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -16.308 -15.219 -9.296 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -17.046 -15.940 -10.746 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -15.365 -18.519 -10.681 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -15.655 -17.565 -12.155 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -13.989 -17.927 -11.643 1.00 44.43 H new ATOM 1685 N SER A 109 -14.379 -13.897 -14.265 1.00 64.12 N ATOM 1686 CA SER A 109 -13.711 -12.977 -15.178 1.00 55.15 C ATOM 1687 C SER A 109 -13.325 -13.684 -16.475 1.00 41.05 C ATOM 1688 O SER A 109 -13.445 -14.903 -16.587 1.00 33.13 O ATOM 1689 CB SER A 109 -12.466 -12.383 -14.517 1.00 52.45 C ATOM 1690 OG SER A 109 -12.708 -11.061 -14.067 1.00 54.05 O ATOM 0 H SER A 109 -14.480 -14.847 -14.622 1.00 64.12 H new ATOM 0 HA SER A 109 -14.406 -12.172 -15.416 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.164 -13.007 -13.676 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.639 -12.383 -15.227 1.00 52.45 H new ATOM 0 HG SER A 109 -11.856 -10.627 -13.852 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.863 -12.907 -17.449 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.460 -13.458 -18.738 1.00 42.33 C ATOM 1698 C GLN A 110 -11.255 -12.709 -19.296 1.00 70.12 C ATOM 1699 O GLN A 110 -11.359 -11.546 -19.685 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.622 -13.390 -19.731 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.349 -12.056 -19.727 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.500 -12.021 -18.741 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.581 -11.129 -17.895 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -16.400 -12.992 -18.846 1.00 21.42 N ATOM 0 H GLN A 110 -12.758 -11.895 -17.371 1.00 73.42 H new ATOM 0 HA GLN A 110 -12.180 -14.501 -18.588 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.243 -13.585 -20.734 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.334 -14.183 -19.499 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -13.643 -11.262 -19.483 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -14.727 -11.850 -20.728 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -16.294 -13.711 -19.562 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -17.198 -13.019 -18.211 1.00 21.42 H new ATOM 1713 N VAL A 111 -10.110 -13.384 -19.334 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.884 -12.783 -19.846 1.00 4.43 C ATOM 1715 C VAL A 111 -8.624 -13.208 -21.286 1.00 3.33 C ATOM 1716 O VAL A 111 -8.890 -14.350 -21.665 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.668 -13.166 -18.981 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.397 -12.550 -19.546 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.884 -12.734 -17.538 1.00 22.25 C ATOM 0 H VAL A 111 -10.006 -14.348 -19.016 1.00 61.10 H new ATOM 0 HA VAL A 111 -9.021 -11.702 -19.809 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.557 -14.250 -18.999 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.548 -12.831 -18.923 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -6.237 -12.913 -20.561 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.494 -11.464 -19.559 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -7.016 -13.012 -16.941 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -8.020 -11.653 -17.498 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.771 -13.227 -17.140 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.103 -12.284 -22.086 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.804 -12.564 -23.485 1.00 13.53 C ATOM 1731 C ILE A 112 -6.448 -11.994 -23.882 1.00 35.44 C ATOM 1732 O ILE A 112 -6.289 -10.781 -24.024 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.885 -11.985 -24.417 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.280 -12.369 -23.918 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.673 -12.475 -25.842 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.400 -11.821 -24.773 1.00 11.41 C ATOM 0 H ILE A 112 -7.879 -11.334 -21.789 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.785 -13.648 -23.593 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.804 -10.898 -24.411 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.358 -13.456 -23.884 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.404 -12.008 -22.897 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.445 -12.057 -26.489 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.692 -12.156 -26.194 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.730 -13.563 -25.865 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.359 -12.133 -24.360 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.348 -10.732 -24.787 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.302 -12.202 -25.789 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.471 -12.877 -24.063 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.139 -12.443 -24.444 1.00 14.23 C ATOM 1750 C GLY A 113 -3.117 -12.677 -23.351 1.00 44.34 C ATOM 1751 O GLY A 113 -3.424 -13.282 -22.324 1.00 21.13 O ATOM 0 H GLY A 113 -5.578 -13.885 -23.953 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.831 -12.974 -25.344 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.164 -11.382 -24.693 1.00 14.23 H new ATOM 1755 N ALA A 114 -1.897 -12.197 -23.569 1.00 2.12 N ATOM 1756 CA ALA A 114 -0.826 -12.357 -22.594 1.00 50.23 C ATOM 1757 C ALA A 114 -0.632 -11.084 -21.778 1.00 73.31 C ATOM 1758 O ALA A 114 0.115 -10.190 -22.173 1.00 1.34 O ATOM 1759 CB ALA A 114 0.470 -12.742 -23.291 1.00 34.24 C ATOM 0 H ALA A 114 -1.626 -11.693 -24.414 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.108 -13.157 -21.909 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.261 -12.858 -22.550 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.331 -13.683 -23.824 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.748 -11.962 -23.999 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.310 -11.009 -20.638 1.00 11.22 N ATOM 1766 CA ASP A 115 -1.212 -9.844 -19.765 1.00 33.14 C ATOM 1767 C ASP A 115 -1.106 -10.268 -18.304 1.00 50.50 C ATOM 1768 O ASP A 115 -2.118 -10.461 -17.629 1.00 41.34 O ATOM 1769 CB ASP A 115 -2.424 -8.932 -19.958 1.00 73.33 C ATOM 1770 CG ASP A 115 -2.261 -7.994 -21.137 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -2.172 -8.487 -22.281 1.00 15.43 O ATOM 1772 OD2 ASP A 115 -2.223 -6.765 -20.915 1.00 51.32 O ATOM 0 H ASP A 115 -1.933 -11.741 -20.297 1.00 11.22 H new ATOM 0 HA ASP A 115 -0.309 -9.295 -20.032 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -3.315 -9.543 -20.104 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -2.583 -8.348 -19.052 1.00 73.33 H new ATOM 1777 N ILE A 116 0.125 -10.411 -17.822 1.00 43.41 N ATOM 1778 CA ILE A 116 0.362 -10.812 -16.441 1.00 44.52 C ATOM 1779 C ILE A 116 -0.240 -9.806 -15.465 1.00 11.00 C ATOM 1780 O ILE A 116 -0.841 -10.184 -14.461 1.00 0.15 O ATOM 1781 CB ILE A 116 1.867 -10.957 -16.148 1.00 1.13 C ATOM 1782 CG1 ILE A 116 2.088 -11.351 -14.686 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.596 -9.661 -16.469 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.506 -12.700 -14.329 1.00 45.32 C ATOM 0 H ILE A 116 0.973 -10.255 -18.368 1.00 43.41 H new ATOM 0 HA ILE A 116 -0.121 -11.780 -16.306 1.00 44.52 H new ATOM 0 HB ILE A 116 2.272 -11.745 -16.782 1.00 1.13 H new ATOM 0 HG12 ILE A 116 3.158 -11.360 -14.478 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.644 -10.591 -14.042 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.659 -9.779 -16.257 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.461 -9.419 -17.523 1.00 15.41 H new ATOM 0 HG23 ILE A 116 2.191 -8.855 -15.857 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.700 -12.913 -13.278 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.430 -12.690 -14.504 1.00 45.32 H new ATOM 0 HD13 ILE A 116 1.967 -13.470 -14.947 1.00 45.32 H new ATOM 1796 N SER A 117 -0.075 -8.523 -15.770 1.00 21.43 N ATOM 1797 CA SER A 117 -0.600 -7.462 -14.920 1.00 43.32 C ATOM 1798 C SER A 117 -2.126 -7.503 -14.878 1.00 21.20 C ATOM 1799 O SER A 117 -2.748 -6.959 -13.967 1.00 13.41 O ATOM 1800 CB SER A 117 -0.129 -6.096 -15.421 1.00 12.44 C ATOM 1801 OG SER A 117 -1.000 -5.065 -14.989 1.00 62.05 O ATOM 0 H SER A 117 0.418 -8.193 -16.600 1.00 21.43 H new ATOM 0 HA SER A 117 -0.222 -7.620 -13.910 1.00 43.32 H new ATOM 0 HB2 SER A 117 0.880 -5.900 -15.057 1.00 12.44 H new ATOM 0 HB3 SER A 117 -0.080 -6.102 -16.510 1.00 12.44 H new ATOM 0 HG SER A 117 -0.676 -4.202 -15.321 1.00 62.05 H new ATOM 1807 N LYS A 118 -2.720 -8.152 -15.874 1.00 15.20 N ATOM 1808 CA LYS A 118 -4.171 -8.267 -15.954 1.00 45.15 C ATOM 1809 C LYS A 118 -4.669 -9.450 -15.129 1.00 64.05 C ATOM 1810 O LYS A 118 -5.487 -9.286 -14.223 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.611 -8.425 -17.410 1.00 45.12 C ATOM 1812 CG LYS A 118 -6.079 -8.781 -17.567 1.00 72.13 C ATOM 1813 CD LYS A 118 -6.977 -7.763 -16.883 1.00 21.24 C ATOM 1814 CE LYS A 118 -8.446 -8.125 -17.035 1.00 12.53 C ATOM 1815 NZ LYS A 118 -8.926 -7.924 -18.430 1.00 64.22 N ATOM 0 H LYS A 118 -2.218 -8.606 -16.637 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.606 -7.354 -15.547 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -4.412 -7.496 -17.944 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -4.006 -9.199 -17.882 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -6.330 -8.835 -18.626 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -6.262 -9.770 -17.146 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -6.723 -7.705 -15.825 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -6.799 -6.775 -17.308 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -8.595 -9.165 -16.746 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -9.042 -7.517 -16.355 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -9.950 -8.100 -18.474 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -8.730 -6.947 -18.727 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -8.434 -8.584 -19.065 1.00 64.22 H new ATOM 1829 N ILE A 119 -4.171 -10.639 -15.448 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.564 -11.848 -14.735 1.00 50.12 C ATOM 1831 C ILE A 119 -4.352 -11.693 -13.232 1.00 70.05 C ATOM 1832 O ILE A 119 -5.112 -12.234 -12.429 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.777 -13.075 -15.229 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.324 -13.002 -14.753 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.837 -13.167 -16.747 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -2.068 -13.772 -13.476 1.00 60.34 C ATOM 0 H ILE A 119 -3.494 -10.791 -16.196 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.624 -12.002 -14.937 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.233 -13.972 -14.811 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.673 -13.388 -15.537 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -2.052 -11.958 -14.599 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -3.276 -14.040 -17.081 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.875 -13.260 -17.065 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.403 -12.268 -17.183 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -1.018 -13.676 -13.198 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.693 -13.371 -12.678 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.308 -14.824 -13.631 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.315 -10.950 -12.860 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.004 -10.722 -11.455 1.00 1.51 C ATOM 1850 C ILE A 120 -3.976 -9.726 -10.832 1.00 62.35 C ATOM 1851 O ILE A 120 -4.317 -9.829 -9.653 1.00 43.52 O ATOM 1852 CB ILE A 120 -1.566 -10.201 -11.273 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.392 -8.861 -11.990 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.564 -11.221 -11.794 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -1.636 -7.663 -11.098 1.00 14.01 C ATOM 0 H ILE A 120 -2.676 -10.496 -13.513 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.099 -11.684 -10.951 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.381 -10.049 -10.210 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.382 -8.803 -12.395 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -2.077 -8.819 -12.837 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.448 -10.839 -11.659 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -0.676 -12.155 -11.243 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -0.745 -11.401 -12.854 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -1.495 -6.747 -11.672 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -2.655 -7.697 -10.714 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -0.933 -7.681 -10.265 1.00 14.01 H new ATOM 1867 N SER A 121 -4.421 -8.762 -11.631 1.00 0.12 N ATOM 1868 CA SER A 121 -5.353 -7.745 -11.159 1.00 73.21 C ATOM 1869 C SER A 121 -6.735 -8.345 -10.919 1.00 61.43 C ATOM 1870 O SER A 121 -7.432 -7.967 -9.978 1.00 43.23 O ATOM 1871 CB SER A 121 -5.450 -6.602 -12.170 1.00 52.11 C ATOM 1872 OG SER A 121 -6.593 -5.800 -11.927 1.00 1.41 O ATOM 0 H SER A 121 -4.151 -8.664 -12.610 1.00 0.12 H new ATOM 0 HA SER A 121 -4.976 -7.353 -10.214 1.00 73.21 H new ATOM 0 HB2 SER A 121 -4.552 -5.987 -12.115 1.00 52.11 H new ATOM 0 HB3 SER A 121 -5.496 -7.009 -13.180 1.00 52.11 H new ATOM 0 HG SER A 121 -6.631 -5.076 -12.586 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.123 -9.283 -11.778 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.423 -9.934 -11.659 1.00 61.12 C ATOM 1880 C GLU A 122 -8.408 -10.980 -10.548 1.00 33.11 C ATOM 1881 O GLU A 122 -9.243 -10.951 -9.643 1.00 50.32 O ATOM 1882 CB GLU A 122 -8.812 -10.589 -12.986 1.00 22.41 C ATOM 1883 CG GLU A 122 -9.013 -9.597 -14.119 1.00 53.03 C ATOM 1884 CD GLU A 122 -10.091 -8.575 -13.816 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -11.116 -8.954 -13.211 1.00 35.23 O ATOM 1886 OE2 GLU A 122 -9.909 -7.394 -14.180 1.00 60.42 O ATOM 0 H GLU A 122 -6.557 -9.608 -12.562 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.161 -9.173 -11.407 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.037 -11.301 -13.271 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -9.731 -11.158 -12.845 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -8.073 -9.081 -14.316 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.276 -10.138 -15.028 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.455 -11.902 -10.625 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.331 -12.956 -9.626 1.00 54.04 C ATOM 1895 C ILE A 123 -7.227 -12.374 -8.221 1.00 62.52 C ATOM 1896 O ILE A 123 -8.019 -12.704 -7.340 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.102 -13.844 -9.894 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.259 -14.583 -11.225 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -5.903 -14.831 -8.754 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.966 -15.168 -11.747 1.00 24.43 C ATOM 0 H ILE A 123 -6.758 -11.941 -11.368 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.232 -13.565 -9.698 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.219 -13.208 -9.956 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -6.988 -15.384 -11.103 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.663 -13.895 -11.968 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.030 -15.452 -8.958 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -5.750 -14.285 -7.823 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -6.785 -15.464 -8.663 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -5.153 -15.677 -12.693 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.241 -14.369 -11.902 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.571 -15.881 -11.023 1.00 24.43 H new ATOM 1912 N ASN A 124 -6.244 -11.501 -8.020 1.00 75.21 N ATOM 1913 CA ASN A 124 -6.036 -10.870 -6.721 1.00 73.45 C ATOM 1914 C ASN A 124 -7.289 -10.126 -6.272 1.00 64.11 C ATOM 1915 O ASN A 124 -7.495 -9.900 -5.080 1.00 42.22 O ATOM 1916 CB ASN A 124 -4.850 -9.905 -6.785 1.00 11.21 C ATOM 1917 CG ASN A 124 -3.543 -10.614 -7.078 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -3.444 -11.835 -6.955 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -2.530 -9.849 -7.470 1.00 11.02 N ATOM 0 H ASN A 124 -5.580 -11.215 -8.739 1.00 75.21 H new ATOM 0 HA ASN A 124 -5.820 -11.653 -5.994 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -5.035 -9.157 -7.556 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -4.767 -9.373 -5.838 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -1.626 -10.270 -7.683 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -2.657 -8.841 -7.558 1.00 11.02 H new ATOM 1926 N ASN A 125 -8.124 -9.747 -7.235 1.00 51.03 N ATOM 1927 CA ASN A 125 -9.357 -9.028 -6.938 1.00 1.33 C ATOM 1928 C ASN A 125 -10.477 -9.997 -6.574 1.00 30.23 C ATOM 1929 O ASN A 125 -11.423 -9.634 -5.876 1.00 34.25 O ATOM 1930 CB ASN A 125 -9.775 -8.174 -8.137 1.00 2.44 C ATOM 1931 CG ASN A 125 -9.213 -6.767 -8.068 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -8.645 -6.362 -7.054 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -9.368 -6.015 -9.152 1.00 2.34 N ATOM 0 H ASN A 125 -7.969 -9.926 -8.227 1.00 51.03 H new ATOM 0 HA ASN A 125 -9.172 -8.377 -6.084 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -9.437 -8.653 -9.056 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -10.863 -8.126 -8.184 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -9.009 -5.060 -9.166 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -9.846 -6.392 -9.970 1.00 2.34 H new ATOM 1940 N ASN A 126 -10.364 -11.231 -7.053 1.00 22.12 N ATOM 1941 CA ASN A 126 -11.367 -12.253 -6.779 1.00 5.34 C ATOM 1942 C ASN A 126 -10.865 -13.240 -5.729 1.00 72.44 C ATOM 1943 O ASN A 126 -11.475 -14.287 -5.506 1.00 24.00 O ATOM 1944 CB ASN A 126 -11.731 -13.000 -8.065 1.00 64.41 C ATOM 1945 CG ASN A 126 -11.884 -12.067 -9.250 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -12.377 -10.946 -9.113 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -11.464 -12.527 -10.423 1.00 44.34 N ATOM 0 H ASN A 126 -9.587 -11.548 -7.633 1.00 22.12 H new ATOM 0 HA ASN A 126 -12.257 -11.758 -6.391 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -10.960 -13.738 -8.284 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -12.662 -13.547 -7.914 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -11.543 -11.945 -11.257 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -11.062 -13.462 -10.490 1.00 44.34 H new ATOM 1954 N ILE A 127 -9.752 -12.899 -5.089 1.00 64.21 N ATOM 1955 CA ILE A 127 -9.170 -13.754 -4.062 1.00 53.31 C ATOM 1956 C ILE A 127 -9.558 -13.279 -2.665 1.00 13.41 C ATOM 1957 O ILE A 127 -9.605 -12.079 -2.398 1.00 22.03 O ATOM 1958 CB ILE A 127 -7.634 -13.796 -4.169 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.200 -14.863 -5.176 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.016 -14.065 -2.805 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -5.700 -14.965 -5.338 1.00 51.21 C ATOM 0 H ILE A 127 -9.235 -12.037 -5.263 1.00 64.21 H new ATOM 0 HA ILE A 127 -9.566 -14.756 -4.225 1.00 53.31 H new ATOM 0 HB ILE A 127 -7.282 -12.826 -4.521 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -7.590 -15.830 -4.859 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -7.648 -14.641 -6.145 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -5.930 -14.092 -2.896 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -7.302 -13.273 -2.113 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -7.372 -15.023 -2.427 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.465 -15.741 -6.067 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -5.306 -14.010 -5.685 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.247 -15.218 -4.379 1.00 51.21 H new ATOM 1973 N ASN A 128 -9.835 -14.229 -1.779 1.00 2.43 N ATOM 1974 CA ASN A 128 -10.219 -13.909 -0.409 1.00 53.34 C ATOM 1975 C ASN A 128 -9.228 -12.933 0.219 1.00 63.41 C ATOM 1976 O ASN A 128 -9.514 -12.317 1.245 1.00 72.01 O ATOM 1977 CB ASN A 128 -10.299 -15.184 0.433 1.00 3.42 C ATOM 1978 CG ASN A 128 -8.932 -15.675 0.869 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.099 -16.043 -0.098 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -8.628 -15.721 2.061 1.00 25.45 N flip ATOM 0 H ASN A 128 -9.801 -15.227 -1.985 1.00 2.43 H new ATOM 0 HA ASN A 128 -11.201 -13.437 -0.435 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -10.913 -14.997 1.314 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -10.796 -15.965 -0.142 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -9.300 -15.428 2.770 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -7.704 -16.052 2.339 1.00 25.45 H new