USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 33 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 81 MET CE :methyl 161:sc=-0.00762 (180deg=-0.04) USER MOD Single : A 19 THR OG1 : rot 41:sc= -0.119 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 31 THR OG1 : rot 127:sc= -0.203 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.234 (180deg=-0.386) USER MOD Single : A 50 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.4) USER MOD Single : A 51 MET CE :methyl 168:sc= 0 (180deg=-0.16) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 66 THR OG1 : rot 41:sc= -0.801 USER MOD Single : A 68 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.37) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00558 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 77 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.21) USER MOD Single : A 78 SER OG : rot 150:sc= -0.0155 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 150:sc= -0.0587 (180deg=-1.46!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-4.6!) USER MOD Single : A 105 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.23) USER MOD Single : A 107 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 17.324 -25.273 -23.452 1.00 52.22 N ATOM 257 CA ALA A 17 17.886 -23.951 -23.702 1.00 74.21 C ATOM 258 C ALA A 17 16.808 -22.974 -24.158 1.00 14.55 C ATOM 259 O ALA A 17 15.956 -23.312 -24.980 1.00 11.23 O ATOM 260 CB ALA A 17 18.995 -24.037 -24.739 1.00 64.15 C ATOM 0 HA ALA A 17 18.305 -23.579 -22.767 1.00 74.21 H new ATOM 0 HB1 ALA A 17 19.406 -23.043 -24.916 1.00 64.15 H new ATOM 0 HB2 ALA A 17 19.783 -24.696 -24.375 1.00 64.15 H new ATOM 0 HB3 ALA A 17 18.592 -24.434 -25.671 1.00 64.15 H new ATOM 266 N PHE A 18 16.850 -21.760 -23.618 1.00 13.03 N ATOM 267 CA PHE A 18 15.875 -20.733 -23.968 1.00 20.34 C ATOM 268 C PHE A 18 16.532 -19.607 -24.759 1.00 43.34 C ATOM 269 O PHE A 18 17.751 -19.582 -24.932 1.00 44.11 O ATOM 270 CB PHE A 18 15.220 -20.170 -22.705 1.00 5.24 C ATOM 271 CG PHE A 18 14.273 -21.128 -22.042 1.00 30.33 C ATOM 272 CD1 PHE A 18 14.750 -22.145 -21.230 1.00 40.21 C ATOM 273 CD2 PHE A 18 12.905 -21.013 -22.231 1.00 22.12 C ATOM 274 CE1 PHE A 18 13.881 -23.028 -20.618 1.00 72.42 C ATOM 275 CE2 PHE A 18 12.031 -21.893 -21.621 1.00 62.33 C ATOM 276 CZ PHE A 18 12.520 -22.903 -20.815 1.00 54.01 C ATOM 0 H PHE A 18 17.549 -21.463 -22.937 1.00 13.03 H new ATOM 0 HA PHE A 18 15.109 -21.192 -24.592 1.00 20.34 H new ATOM 0 HB2 PHE A 18 15.999 -19.892 -21.995 1.00 5.24 H new ATOM 0 HB3 PHE A 18 14.681 -19.258 -22.961 1.00 5.24 H new ATOM 0 HD1 PHE A 18 15.814 -22.249 -21.074 1.00 40.21 H new ATOM 0 HD2 PHE A 18 12.517 -20.227 -22.862 1.00 22.12 H new ATOM 0 HE1 PHE A 18 14.266 -23.815 -19.986 1.00 72.42 H new ATOM 0 HE2 PHE A 18 10.967 -21.791 -21.774 1.00 62.33 H new ATOM 0 HZ PHE A 18 11.839 -23.594 -20.340 1.00 54.01 H new ATOM 286 N THR A 19 15.715 -18.674 -25.240 1.00 24.30 N ATOM 287 CA THR A 19 16.216 -17.545 -26.014 1.00 35.21 C ATOM 288 C THR A 19 15.095 -16.567 -26.346 1.00 12.42 C ATOM 289 O THR A 19 13.923 -16.836 -26.081 1.00 60.23 O ATOM 290 CB THR A 19 16.879 -18.012 -27.324 1.00 11.45 C ATOM 291 OG1 THR A 19 17.540 -16.911 -27.957 1.00 52.41 O ATOM 292 CG2 THR A 19 15.847 -18.604 -28.272 1.00 22.04 C ATOM 0 H THR A 19 14.704 -18.678 -25.107 1.00 24.30 H new ATOM 0 HA THR A 19 16.962 -17.044 -25.397 1.00 35.21 H new ATOM 0 HB THR A 19 17.610 -18.783 -27.081 1.00 11.45 H new ATOM 0 HG1 THR A 19 17.995 -16.369 -27.279 1.00 52.41 H new ATOM 0 HG21 THR A 19 16.339 -18.927 -29.190 1.00 22.04 H new ATOM 0 HG22 THR A 19 15.366 -19.460 -27.798 1.00 22.04 H new ATOM 0 HG23 THR A 19 15.096 -17.851 -28.508 1.00 22.04 H new ATOM 300 N PHE A 20 15.462 -15.429 -26.927 1.00 74.32 N ATOM 301 CA PHE A 20 14.486 -14.410 -27.296 1.00 2.24 C ATOM 302 C PHE A 20 14.285 -14.371 -28.808 1.00 12.03 C ATOM 303 O PHE A 20 15.244 -14.445 -29.576 1.00 63.22 O ATOM 304 CB PHE A 20 14.938 -13.037 -26.795 1.00 1.54 C ATOM 305 CG PHE A 20 14.906 -12.904 -25.299 1.00 2.12 C ATOM 306 CD1 PHE A 20 13.708 -12.986 -24.608 1.00 70.51 C ATOM 307 CD2 PHE A 20 16.075 -12.696 -24.583 1.00 75.14 C ATOM 308 CE1 PHE A 20 13.675 -12.865 -23.232 1.00 20.24 C ATOM 309 CE2 PHE A 20 16.048 -12.575 -23.207 1.00 11.50 C ATOM 310 CZ PHE A 20 14.847 -12.658 -22.530 1.00 54.13 C ATOM 0 H PHE A 20 16.428 -15.190 -27.152 1.00 74.32 H new ATOM 0 HA PHE A 20 13.536 -14.666 -26.828 1.00 2.24 H new ATOM 0 HB2 PHE A 20 15.952 -12.846 -27.147 1.00 1.54 H new ATOM 0 HB3 PHE A 20 14.299 -12.271 -27.234 1.00 1.54 H new ATOM 0 HD1 PHE A 20 12.789 -13.146 -25.152 1.00 70.51 H new ATOM 0 HD2 PHE A 20 17.017 -12.628 -25.107 1.00 75.14 H new ATOM 0 HE1 PHE A 20 12.734 -12.932 -22.706 1.00 20.24 H new ATOM 0 HE2 PHE A 20 16.966 -12.416 -22.661 1.00 11.50 H new ATOM 0 HZ PHE A 20 14.824 -12.561 -21.455 1.00 54.13 H new ATOM 320 N THR A 21 13.029 -14.255 -29.229 1.00 1.32 N ATOM 321 CA THR A 21 12.700 -14.208 -30.648 1.00 20.13 C ATOM 322 C THR A 21 12.004 -12.901 -31.008 1.00 54.20 C ATOM 323 O THR A 21 12.283 -12.302 -32.047 1.00 3.34 O ATOM 324 CB THR A 21 11.796 -15.387 -31.054 1.00 32.13 C ATOM 325 OG1 THR A 21 11.291 -15.184 -32.378 1.00 55.30 O ATOM 326 CG2 THR A 21 10.636 -15.540 -30.081 1.00 2.30 C ATOM 0 H THR A 21 12.223 -14.192 -28.607 1.00 1.32 H new ATOM 0 HA THR A 21 13.641 -14.277 -31.193 1.00 20.13 H new ATOM 0 HB THR A 21 12.393 -16.299 -31.029 1.00 32.13 H new ATOM 0 HG1 THR A 21 10.718 -15.939 -32.629 1.00 55.30 H new ATOM 0 HG21 THR A 21 10.012 -16.379 -30.388 1.00 2.30 H new ATOM 0 HG22 THR A 21 11.023 -15.724 -29.079 1.00 2.30 H new ATOM 0 HG23 THR A 21 10.041 -14.627 -30.078 1.00 2.30 H new ATOM 334 N LYS A 22 11.095 -12.462 -30.143 1.00 61.14 N ATOM 335 CA LYS A 22 10.358 -11.225 -30.370 1.00 14.24 C ATOM 336 C LYS A 22 10.690 -10.190 -29.299 1.00 73.02 C ATOM 337 O LYS A 22 10.269 -10.317 -28.149 1.00 3.22 O ATOM 338 CB LYS A 22 8.852 -11.499 -30.380 1.00 0.25 C ATOM 339 CG LYS A 22 8.406 -12.402 -31.516 1.00 33.20 C ATOM 340 CD LYS A 22 6.984 -12.089 -31.952 1.00 21.22 C ATOM 341 CE LYS A 22 6.731 -12.529 -33.386 1.00 21.24 C ATOM 342 NZ LYS A 22 5.283 -12.490 -33.730 1.00 51.15 N ATOM 0 H LYS A 22 10.851 -12.945 -29.278 1.00 61.14 H new ATOM 0 HA LYS A 22 10.655 -10.827 -31.340 1.00 14.24 H new ATOM 0 HB2 LYS A 22 8.568 -11.955 -29.432 1.00 0.25 H new ATOM 0 HB3 LYS A 22 8.319 -10.551 -30.450 1.00 0.25 H new ATOM 0 HG2 LYS A 22 9.082 -12.283 -32.363 1.00 33.20 H new ATOM 0 HG3 LYS A 22 8.470 -13.443 -31.201 1.00 33.20 H new ATOM 0 HD2 LYS A 22 6.280 -12.589 -31.287 1.00 21.22 H new ATOM 0 HD3 LYS A 22 6.802 -11.018 -31.861 1.00 21.22 H new ATOM 0 HE2 LYS A 22 7.284 -11.882 -34.067 1.00 21.24 H new ATOM 0 HE3 LYS A 22 7.111 -13.541 -33.528 1.00 21.24 H new ATOM 0 HZ1 LYS A 22 5.152 -12.797 -34.715 1.00 51.15 H new ATOM 0 HZ2 LYS A 22 4.758 -13.126 -33.096 1.00 51.15 H new ATOM 0 HZ3 LYS A 22 4.926 -11.520 -33.619 1.00 51.15 H new ATOM 356 N ILE A 23 11.444 -9.167 -29.686 1.00 3.13 N ATOM 357 CA ILE A 23 11.828 -8.109 -28.760 1.00 2.24 C ATOM 358 C ILE A 23 10.604 -7.486 -28.098 1.00 35.20 C ATOM 359 O ILE A 23 9.616 -7.152 -28.753 1.00 10.22 O ATOM 360 CB ILE A 23 12.632 -7.003 -29.470 1.00 32.43 C ATOM 361 CG1 ILE A 23 13.861 -7.599 -30.160 1.00 35.21 C ATOM 362 CG2 ILE A 23 13.045 -5.928 -28.476 1.00 50.33 C ATOM 363 CD1 ILE A 23 14.683 -6.579 -30.916 1.00 21.14 C ATOM 0 H ILE A 23 11.801 -9.048 -30.634 1.00 3.13 H new ATOM 0 HA ILE A 23 12.455 -8.571 -27.997 1.00 2.24 H new ATOM 0 HB ILE A 23 11.999 -6.544 -30.230 1.00 32.43 H new ATOM 0 HG12 ILE A 23 14.491 -8.079 -29.411 1.00 35.21 H new ATOM 0 HG13 ILE A 23 13.538 -8.378 -30.851 1.00 35.21 H new ATOM 0 HG21 ILE A 23 13.612 -5.154 -28.992 1.00 50.33 H new ATOM 0 HG22 ILE A 23 12.155 -5.487 -28.026 1.00 50.33 H new ATOM 0 HG23 ILE A 23 13.664 -6.372 -27.696 1.00 50.33 H new ATOM 0 HD11 ILE A 23 15.538 -7.072 -31.380 1.00 21.14 H new ATOM 0 HD12 ILE A 23 14.068 -6.116 -31.688 1.00 21.14 H new ATOM 0 HD13 ILE A 23 15.036 -5.813 -30.226 1.00 21.14 H new ATOM 375 N PRO A 24 10.668 -7.324 -26.768 1.00 74.40 N ATOM 376 CA PRO A 24 9.573 -6.739 -25.988 1.00 43.42 C ATOM 377 C PRO A 24 9.401 -5.248 -26.260 1.00 1.02 C ATOM 378 O PRO A 24 10.350 -4.563 -26.641 1.00 70.40 O ATOM 379 CB PRO A 24 10.006 -6.972 -24.539 1.00 4.54 C ATOM 380 CG PRO A 24 11.492 -7.067 -24.598 1.00 31.02 C ATOM 381 CD PRO A 24 11.814 -7.700 -25.923 1.00 73.22 C ATOM 0 HA PRO A 24 8.611 -7.186 -26.236 1.00 43.42 H new ATOM 0 HB2 PRO A 24 9.687 -6.153 -23.894 1.00 4.54 H new ATOM 0 HB3 PRO A 24 9.567 -7.885 -24.136 1.00 4.54 H new ATOM 0 HG2 PRO A 24 11.950 -6.081 -24.515 1.00 31.02 H new ATOM 0 HG3 PRO A 24 11.878 -7.668 -23.774 1.00 31.02 H new ATOM 0 HD2 PRO A 24 12.753 -7.325 -26.330 1.00 73.22 H new ATOM 0 HD3 PRO A 24 11.913 -8.782 -25.838 1.00 73.22 H new ATOM 389 N ALA A 25 8.185 -4.752 -26.060 1.00 54.54 N ATOM 390 CA ALA A 25 7.889 -3.342 -26.282 1.00 42.52 C ATOM 391 C ALA A 25 6.481 -2.995 -25.812 1.00 34.13 C ATOM 392 O ALA A 25 5.555 -3.792 -25.957 1.00 72.41 O ATOM 393 CB ALA A 25 8.057 -2.992 -27.754 1.00 21.24 C ATOM 0 H ALA A 25 7.389 -5.306 -25.745 1.00 54.54 H new ATOM 0 HA ALA A 25 8.595 -2.753 -25.697 1.00 42.52 H new ATOM 0 HB1 ALA A 25 7.833 -1.936 -27.905 1.00 21.24 H new ATOM 0 HB2 ALA A 25 9.084 -3.192 -28.061 1.00 21.24 H new ATOM 0 HB3 ALA A 25 7.375 -3.597 -28.352 1.00 21.24 H new ATOM 399 N GLU A 26 6.327 -1.801 -25.247 1.00 21.51 N ATOM 400 CA GLU A 26 5.031 -1.352 -24.754 1.00 13.34 C ATOM 401 C GLU A 26 4.065 -1.105 -25.909 1.00 34.32 C ATOM 402 O GLU A 26 4.479 -0.787 -27.024 1.00 64.50 O ATOM 403 CB GLU A 26 5.190 -0.074 -23.926 1.00 61.34 C ATOM 404 CG GLU A 26 4.070 0.145 -22.924 1.00 11.24 C ATOM 405 CD GLU A 26 4.196 1.465 -22.188 1.00 54.21 C ATOM 406 OE1 GLU A 26 4.815 2.397 -22.744 1.00 22.52 O ATOM 407 OE2 GLU A 26 3.675 1.567 -21.058 1.00 3.24 O ATOM 0 H GLU A 26 7.083 -1.128 -25.120 1.00 21.51 H new ATOM 0 HA GLU A 26 4.620 -2.138 -24.121 1.00 13.34 H new ATOM 0 HB2 GLU A 26 6.140 -0.112 -23.393 1.00 61.34 H new ATOM 0 HB3 GLU A 26 5.236 0.782 -24.599 1.00 61.34 H new ATOM 0 HG2 GLU A 26 3.112 0.112 -23.443 1.00 11.24 H new ATOM 0 HG3 GLU A 26 4.069 -0.671 -22.201 1.00 11.24 H new ATOM 414 N THR A 27 2.772 -1.255 -25.634 1.00 44.12 N ATOM 415 CA THR A 27 1.747 -1.052 -26.650 1.00 32.14 C ATOM 416 C THR A 27 0.733 -0.004 -26.205 1.00 74.50 C ATOM 417 O THR A 27 0.886 0.616 -25.152 1.00 23.20 O ATOM 418 CB THR A 27 1.006 -2.364 -26.970 1.00 31.13 C ATOM 419 OG1 THR A 27 0.148 -2.179 -28.101 1.00 14.42 O ATOM 420 CG2 THR A 27 0.186 -2.828 -25.775 1.00 50.22 C ATOM 0 H THR A 27 2.411 -1.516 -24.717 1.00 44.12 H new ATOM 0 HA THR A 27 2.256 -0.703 -27.548 1.00 32.14 H new ATOM 0 HB THR A 27 1.749 -3.128 -27.199 1.00 31.13 H new ATOM 0 HG1 THR A 27 -0.318 -3.018 -28.299 1.00 14.42 H new ATOM 0 HG21 THR A 27 -0.328 -3.756 -26.025 1.00 50.22 H new ATOM 0 HG22 THR A 27 0.846 -2.997 -24.924 1.00 50.22 H new ATOM 0 HG23 THR A 27 -0.548 -2.064 -25.519 1.00 50.22 H new ATOM 428 N LEU A 28 -0.304 0.188 -27.013 1.00 15.14 N ATOM 429 CA LEU A 28 -1.347 1.160 -26.701 1.00 21.23 C ATOM 430 C LEU A 28 -1.954 0.886 -25.328 1.00 44.02 C ATOM 431 O LEU A 28 -2.433 1.800 -24.656 1.00 71.22 O ATOM 432 CB LEU A 28 -2.440 1.125 -27.770 1.00 51.51 C ATOM 433 CG LEU A 28 -3.531 2.190 -27.649 1.00 72.21 C ATOM 434 CD1 LEU A 28 -2.928 3.584 -27.729 1.00 33.24 C ATOM 435 CD2 LEU A 28 -4.584 2.000 -28.731 1.00 72.40 C ATOM 0 H LEU A 28 -0.445 -0.316 -27.888 1.00 15.14 H new ATOM 0 HA LEU A 28 -0.893 2.151 -26.686 1.00 21.23 H new ATOM 0 HB2 LEU A 28 -1.968 1.226 -28.747 1.00 51.51 H new ATOM 0 HB3 LEU A 28 -2.914 0.144 -27.745 1.00 51.51 H new ATOM 0 HG LEU A 28 -4.013 2.080 -26.677 1.00 72.21 H new ATOM 0 HD11 LEU A 28 -3.719 4.328 -27.641 1.00 33.24 H new ATOM 0 HD12 LEU A 28 -2.212 3.718 -26.918 1.00 33.24 H new ATOM 0 HD13 LEU A 28 -2.420 3.706 -28.685 1.00 33.24 H new ATOM 0 HD21 LEU A 28 -5.352 2.766 -28.630 1.00 72.40 H new ATOM 0 HD22 LEU A 28 -4.116 2.082 -29.712 1.00 72.40 H new ATOM 0 HD23 LEU A 28 -5.039 1.015 -28.627 1.00 72.40 H new ATOM 447 N HIS A 29 -1.927 -0.378 -24.917 1.00 13.33 N ATOM 448 CA HIS A 29 -2.471 -0.772 -23.622 1.00 14.41 C ATOM 449 C HIS A 29 -1.390 -0.740 -22.546 1.00 31.40 C ATOM 450 O HIS A 29 -1.497 -1.418 -21.525 1.00 12.45 O ATOM 451 CB HIS A 29 -3.083 -2.170 -23.706 1.00 72.32 C ATOM 452 CG HIS A 29 -4.534 -2.168 -24.077 1.00 53.00 C ATOM 453 ND1 HIS A 29 -5.066 -1.328 -25.033 1.00 4.34 N ATOM 454 CD2 HIS A 29 -5.567 -2.911 -23.616 1.00 30.52 C ATOM 455 CE1 HIS A 29 -6.363 -1.553 -25.142 1.00 24.22 C ATOM 456 NE2 HIS A 29 -6.692 -2.510 -24.293 1.00 71.22 N ATOM 0 H HIS A 29 -1.535 -1.146 -25.461 1.00 13.33 H new ATOM 0 HA HIS A 29 -3.250 -0.059 -23.351 1.00 14.41 H new ATOM 0 HB2 HIS A 29 -2.530 -2.756 -24.440 1.00 72.32 H new ATOM 0 HB3 HIS A 29 -2.963 -2.668 -22.744 1.00 72.32 H new ATOM 0 HD2 HIS A 29 -5.516 -3.677 -22.857 1.00 30.52 H new ATOM 0 HE1 HIS A 29 -7.039 -1.042 -25.811 1.00 24.22 H new ATOM 0 HE2 HIS A 29 -7.630 -2.889 -24.162 1.00 71.22 H new ATOM 464 N GLY A 30 -0.348 0.050 -22.784 1.00 1.44 N ATOM 465 CA GLY A 30 0.739 0.153 -21.827 1.00 54.21 C ATOM 466 C GLY A 30 1.233 -1.203 -21.364 1.00 2.44 C ATOM 467 O GLY A 30 1.664 -1.358 -20.220 1.00 73.02 O ATOM 0 H GLY A 30 -0.237 0.621 -23.622 1.00 1.44 H new ATOM 0 HA2 GLY A 30 1.565 0.703 -22.278 1.00 54.21 H new ATOM 0 HA3 GLY A 30 0.406 0.729 -20.964 1.00 54.21 H new ATOM 471 N THR A 31 1.171 -2.189 -22.253 1.00 20.24 N ATOM 472 CA THR A 31 1.614 -3.539 -21.928 1.00 62.23 C ATOM 473 C THR A 31 2.748 -3.981 -22.846 1.00 5.21 C ATOM 474 O THR A 31 2.783 -3.623 -24.023 1.00 71.45 O ATOM 475 CB THR A 31 0.458 -4.551 -22.037 1.00 31.25 C ATOM 476 OG1 THR A 31 -0.031 -4.595 -23.382 1.00 4.22 O ATOM 477 CG2 THR A 31 -0.675 -4.181 -21.092 1.00 34.02 C ATOM 0 H THR A 31 0.818 -2.078 -23.204 1.00 20.24 H new ATOM 0 HA THR A 31 1.971 -3.515 -20.898 1.00 62.23 H new ATOM 0 HB THR A 31 0.838 -5.534 -21.757 1.00 31.25 H new ATOM 0 HG1 THR A 31 -0.035 -5.523 -23.698 1.00 4.22 H new ATOM 0 HG21 THR A 31 -1.480 -4.910 -21.186 1.00 34.02 H new ATOM 0 HG22 THR A 31 -0.307 -4.178 -20.066 1.00 34.02 H new ATOM 0 HG23 THR A 31 -1.051 -3.190 -21.345 1.00 34.02 H new ATOM 485 N VAL A 32 3.676 -4.761 -22.300 1.00 11.13 N ATOM 486 CA VAL A 32 4.812 -5.253 -23.070 1.00 51.40 C ATOM 487 C VAL A 32 4.685 -6.747 -23.344 1.00 13.01 C ATOM 488 O VAL A 32 4.403 -7.534 -22.439 1.00 63.15 O ATOM 489 CB VAL A 32 6.142 -4.987 -22.340 1.00 41.14 C ATOM 490 CG1 VAL A 32 6.194 -5.755 -21.028 1.00 43.05 C ATOM 491 CG2 VAL A 32 7.320 -5.354 -23.230 1.00 70.41 C ATOM 0 H VAL A 32 3.663 -5.066 -21.327 1.00 11.13 H new ATOM 0 HA VAL A 32 4.811 -4.712 -24.016 1.00 51.40 H new ATOM 0 HB VAL A 32 6.206 -3.923 -22.113 1.00 41.14 H new ATOM 0 HG11 VAL A 32 7.141 -5.555 -20.526 1.00 43.05 H new ATOM 0 HG12 VAL A 32 5.370 -5.438 -20.388 1.00 43.05 H new ATOM 0 HG13 VAL A 32 6.108 -6.823 -21.228 1.00 43.05 H new ATOM 0 HG21 VAL A 32 8.252 -5.160 -22.699 1.00 70.41 H new ATOM 0 HG22 VAL A 32 7.264 -6.411 -23.490 1.00 70.41 H new ATOM 0 HG23 VAL A 32 7.289 -4.754 -24.140 1.00 70.41 H new ATOM 501 N THR A 33 4.894 -7.133 -24.599 1.00 25.24 N ATOM 502 CA THR A 33 4.804 -8.533 -24.993 1.00 34.34 C ATOM 503 C THR A 33 6.157 -9.226 -24.877 1.00 53.13 C ATOM 504 O THR A 33 7.204 -8.584 -24.966 1.00 35.02 O ATOM 505 CB THR A 33 4.287 -8.678 -26.437 1.00 30.35 C ATOM 506 OG1 THR A 33 5.096 -7.902 -27.327 1.00 5.13 O ATOM 507 CG2 THR A 33 2.837 -8.230 -26.540 1.00 41.30 C ATOM 0 H THR A 33 5.127 -6.495 -25.360 1.00 25.24 H new ATOM 0 HA THR A 33 4.097 -9.008 -24.312 1.00 34.34 H new ATOM 0 HB THR A 33 4.346 -9.730 -26.717 1.00 30.35 H new ATOM 0 HG1 THR A 33 4.673 -7.871 -28.210 1.00 5.13 H new ATOM 0 HG21 THR A 33 2.494 -8.341 -27.569 1.00 41.30 H new ATOM 0 HG22 THR A 33 2.219 -8.843 -25.883 1.00 41.30 H new ATOM 0 HG23 THR A 33 2.757 -7.185 -26.242 1.00 41.30 H new ATOM 515 N VAL A 34 6.129 -10.540 -24.680 1.00 32.12 N ATOM 516 CA VAL A 34 7.354 -11.321 -24.555 1.00 50.41 C ATOM 517 C VAL A 34 7.210 -12.681 -25.228 1.00 32.01 C ATOM 518 O VAL A 34 6.247 -13.407 -24.982 1.00 52.52 O ATOM 519 CB VAL A 34 7.739 -11.529 -23.078 1.00 50.23 C ATOM 520 CG1 VAL A 34 6.635 -12.268 -22.338 1.00 11.35 C ATOM 521 CG2 VAL A 34 9.058 -12.279 -22.973 1.00 31.43 C ATOM 0 H VAL A 34 5.271 -11.086 -24.603 1.00 32.12 H new ATOM 0 HA VAL A 34 8.142 -10.755 -25.052 1.00 50.41 H new ATOM 0 HB VAL A 34 7.865 -10.552 -22.611 1.00 50.23 H new ATOM 0 HG11 VAL A 34 6.924 -12.406 -21.296 1.00 11.35 H new ATOM 0 HG12 VAL A 34 5.714 -11.687 -22.385 1.00 11.35 H new ATOM 0 HG13 VAL A 34 6.474 -13.241 -22.802 1.00 11.35 H new ATOM 0 HG21 VAL A 34 9.315 -12.417 -21.923 1.00 31.43 H new ATOM 0 HG22 VAL A 34 8.963 -13.252 -23.455 1.00 31.43 H new ATOM 0 HG23 VAL A 34 9.843 -11.706 -23.466 1.00 31.43 H new ATOM 531 N GLU A 35 8.174 -13.020 -26.078 1.00 23.14 N ATOM 532 CA GLU A 35 8.154 -14.294 -26.787 1.00 32.35 C ATOM 533 C GLU A 35 9.527 -14.960 -26.749 1.00 54.45 C ATOM 534 O GLU A 35 10.551 -14.288 -26.630 1.00 64.02 O ATOM 535 CB GLU A 35 7.713 -14.089 -28.237 1.00 44.14 C ATOM 536 CG GLU A 35 7.010 -15.295 -28.836 1.00 74.03 C ATOM 537 CD GLU A 35 6.476 -15.027 -30.230 1.00 42.42 C ATOM 538 OE1 GLU A 35 5.357 -14.483 -30.342 1.00 63.11 O ATOM 539 OE2 GLU A 35 7.177 -15.360 -31.209 1.00 12.15 O ATOM 0 H GLU A 35 8.978 -12.430 -26.292 1.00 23.14 H new ATOM 0 HA GLU A 35 7.439 -14.948 -26.287 1.00 32.35 H new ATOM 0 HB2 GLU A 35 7.046 -13.228 -28.287 1.00 44.14 H new ATOM 0 HB3 GLU A 35 8.587 -13.850 -28.843 1.00 44.14 H new ATOM 0 HG2 GLU A 35 7.704 -16.134 -28.872 1.00 74.03 H new ATOM 0 HG3 GLU A 35 6.186 -15.590 -28.186 1.00 74.03 H new ATOM 546 N VAL A 36 9.538 -16.285 -26.852 1.00 43.11 N ATOM 547 CA VAL A 36 10.784 -17.042 -26.832 1.00 61.22 C ATOM 548 C VAL A 36 10.661 -18.324 -27.648 1.00 31.43 C ATOM 549 O VAL A 36 9.571 -18.689 -28.088 1.00 12.25 O ATOM 550 CB VAL A 36 11.200 -17.400 -25.393 1.00 64.21 C ATOM 551 CG1 VAL A 36 11.546 -16.143 -24.609 1.00 32.52 C ATOM 552 CG2 VAL A 36 10.097 -18.185 -24.699 1.00 64.25 C ATOM 0 H VAL A 36 8.699 -16.856 -26.950 1.00 43.11 H new ATOM 0 HA VAL A 36 11.549 -16.405 -27.275 1.00 61.22 H new ATOM 0 HB VAL A 36 12.089 -18.029 -25.436 1.00 64.21 H new ATOM 0 HG11 VAL A 36 11.838 -16.416 -23.595 1.00 32.52 H new ATOM 0 HG12 VAL A 36 12.372 -15.625 -25.097 1.00 32.52 H new ATOM 0 HG13 VAL A 36 10.677 -15.486 -24.573 1.00 32.52 H new ATOM 0 HG21 VAL A 36 10.408 -18.429 -23.683 1.00 64.25 H new ATOM 0 HG22 VAL A 36 9.188 -17.584 -24.665 1.00 64.25 H new ATOM 0 HG23 VAL A 36 9.903 -19.105 -25.250 1.00 64.25 H new ATOM 562 N GLN A 37 11.786 -19.004 -27.845 1.00 32.22 N ATOM 563 CA GLN A 37 11.803 -20.246 -28.609 1.00 24.13 C ATOM 564 C GLN A 37 12.036 -21.444 -27.694 1.00 63.34 C ATOM 565 O GLN A 37 13.154 -21.678 -27.233 1.00 72.03 O ATOM 566 CB GLN A 37 12.889 -20.192 -29.685 1.00 70.20 C ATOM 567 CG GLN A 37 12.704 -19.057 -30.679 1.00 62.12 C ATOM 568 CD GLN A 37 13.674 -19.136 -31.842 1.00 1.34 C ATOM 569 OE1 GLN A 37 13.679 -20.108 -32.597 1.00 34.32 O ATOM 570 NE2 GLN A 37 14.503 -18.109 -31.992 1.00 21.23 N ATOM 0 H GLN A 37 12.697 -18.716 -27.487 1.00 32.22 H new ATOM 0 HA GLN A 37 10.831 -20.362 -29.089 1.00 24.13 H new ATOM 0 HB2 GLN A 37 13.861 -20.087 -29.203 1.00 70.20 H new ATOM 0 HB3 GLN A 37 12.901 -21.139 -30.225 1.00 70.20 H new ATOM 0 HG2 GLN A 37 11.683 -19.076 -31.060 1.00 62.12 H new ATOM 0 HG3 GLN A 37 12.835 -18.104 -30.166 1.00 62.12 H new ATOM 0 HE21 GLN A 37 14.464 -17.323 -31.343 1.00 21.23 H new ATOM 0 HE22 GLN A 37 15.178 -18.106 -32.757 1.00 21.23 H new ATOM 579 N TYR A 38 10.975 -22.200 -27.436 1.00 11.11 N ATOM 580 CA TYR A 38 11.063 -23.373 -26.574 1.00 41.31 C ATOM 581 C TYR A 38 11.418 -24.617 -27.382 1.00 64.11 C ATOM 582 O TYR A 38 10.627 -25.087 -28.199 1.00 43.23 O ATOM 583 CB TYR A 38 9.741 -23.590 -25.837 1.00 31.25 C ATOM 584 CG TYR A 38 9.892 -24.336 -24.530 1.00 11.01 C ATOM 585 CD1 TYR A 38 10.089 -25.711 -24.511 1.00 62.34 C ATOM 586 CD2 TYR A 38 9.836 -23.666 -23.314 1.00 43.12 C ATOM 587 CE1 TYR A 38 10.227 -26.397 -23.320 1.00 61.22 C ATOM 588 CE2 TYR A 38 9.975 -24.343 -22.118 1.00 74.32 C ATOM 589 CZ TYR A 38 10.170 -25.709 -22.126 1.00 54.24 C ATOM 590 OH TYR A 38 10.306 -26.387 -20.937 1.00 63.41 O ATOM 0 H TYR A 38 10.044 -22.022 -27.811 1.00 11.11 H new ATOM 0 HA TYR A 38 11.854 -23.198 -25.844 1.00 41.31 H new ATOM 0 HB2 TYR A 38 9.280 -22.622 -25.642 1.00 31.25 H new ATOM 0 HB3 TYR A 38 9.060 -24.142 -26.484 1.00 31.25 H new ATOM 0 HD1 TYR A 38 10.135 -26.253 -25.444 1.00 62.34 H new ATOM 0 HD2 TYR A 38 9.681 -22.597 -23.304 1.00 43.12 H new ATOM 0 HE1 TYR A 38 10.379 -27.466 -23.324 1.00 61.22 H new ATOM 0 HE2 TYR A 38 9.931 -23.806 -21.182 1.00 74.32 H new ATOM 0 HH TYR A 38 10.243 -25.755 -20.191 1.00 63.41 H new ATOM 600 N ALA A 39 12.614 -25.146 -27.146 1.00 65.21 N ATOM 601 CA ALA A 39 13.074 -26.338 -27.848 1.00 22.35 C ATOM 602 C ALA A 39 12.673 -27.605 -27.099 1.00 4.24 C ATOM 603 O ALA A 39 12.358 -28.625 -27.709 1.00 64.32 O ATOM 604 CB ALA A 39 14.583 -26.290 -28.037 1.00 61.21 C ATOM 0 H ALA A 39 13.282 -24.768 -26.474 1.00 65.21 H new ATOM 0 HA ALA A 39 12.597 -26.360 -28.828 1.00 22.35 H new ATOM 0 HB1 ALA A 39 14.913 -27.186 -28.562 1.00 61.21 H new ATOM 0 HB2 ALA A 39 14.849 -25.409 -28.621 1.00 61.21 H new ATOM 0 HB3 ALA A 39 15.070 -26.241 -27.063 1.00 61.21 H new ATOM 675 N LYS A 46 2.744 -23.679 -19.388 1.00 63.43 N ATOM 676 CA LYS A 46 3.267 -22.318 -19.387 1.00 73.14 C ATOM 677 C LYS A 46 4.783 -22.317 -19.224 1.00 22.44 C ATOM 678 O LYS A 46 5.337 -23.119 -18.471 1.00 72.11 O ATOM 679 CB LYS A 46 2.621 -21.503 -18.264 1.00 44.04 C ATOM 680 CG LYS A 46 2.956 -20.022 -18.318 1.00 75.33 C ATOM 681 CD LYS A 46 2.883 -19.384 -16.941 1.00 51.24 C ATOM 682 CE LYS A 46 1.473 -18.913 -16.619 1.00 31.32 C ATOM 683 NZ LYS A 46 1.229 -17.524 -17.095 1.00 43.33 N ATOM 0 HA LYS A 46 3.023 -21.861 -20.346 1.00 73.14 H new ATOM 0 HB2 LYS A 46 1.539 -21.624 -18.314 1.00 44.04 H new ATOM 0 HB3 LYS A 46 2.943 -21.905 -17.303 1.00 44.04 H new ATOM 0 HG2 LYS A 46 3.957 -19.889 -18.729 1.00 75.33 H new ATOM 0 HG3 LYS A 46 2.265 -19.516 -18.992 1.00 75.33 H new ATOM 0 HD2 LYS A 46 3.209 -20.102 -16.188 1.00 51.24 H new ATOM 0 HD3 LYS A 46 3.570 -18.539 -16.893 1.00 51.24 H new ATOM 0 HE2 LYS A 46 0.751 -19.587 -17.080 1.00 31.32 H new ATOM 0 HE3 LYS A 46 1.311 -18.961 -15.542 1.00 31.32 H new ATOM 0 HZ1 LYS A 46 0.212 -17.313 -17.043 1.00 43.33 H new ATOM 0 HZ2 LYS A 46 1.753 -16.855 -16.496 1.00 43.33 H new ATOM 0 HZ3 LYS A 46 1.551 -17.433 -18.080 1.00 43.33 H new ATOM 697 N VAL A 47 5.450 -21.411 -19.932 1.00 20.41 N ATOM 698 CA VAL A 47 6.902 -21.305 -19.863 1.00 5.32 C ATOM 699 C VAL A 47 7.332 -20.366 -18.741 1.00 32.33 C ATOM 700 O VAL A 47 6.597 -19.465 -18.336 1.00 41.24 O ATOM 701 CB VAL A 47 7.492 -20.800 -21.193 1.00 41.12 C ATOM 702 CG1 VAL A 47 7.337 -21.853 -22.280 1.00 1.21 C ATOM 703 CG2 VAL A 47 6.831 -19.494 -21.607 1.00 0.32 C ATOM 0 H VAL A 47 5.008 -20.740 -20.560 1.00 20.41 H new ATOM 0 HA VAL A 47 7.283 -22.306 -19.662 1.00 5.32 H new ATOM 0 HB VAL A 47 8.556 -20.613 -21.050 1.00 41.12 H new ATOM 0 HG11 VAL A 47 7.760 -21.478 -23.212 1.00 1.21 H new ATOM 0 HG12 VAL A 47 7.861 -22.762 -21.984 1.00 1.21 H new ATOM 0 HG13 VAL A 47 6.279 -22.074 -22.424 1.00 1.21 H new ATOM 0 HG21 VAL A 47 7.260 -19.152 -22.549 1.00 0.32 H new ATOM 0 HG22 VAL A 47 5.760 -19.652 -21.732 1.00 0.32 H new ATOM 0 HG23 VAL A 47 6.999 -18.741 -20.837 1.00 0.32 H new ATOM 713 N PRO A 48 8.551 -20.581 -18.224 1.00 50.41 N ATOM 714 CA PRO A 48 9.107 -19.763 -17.142 1.00 1.10 C ATOM 715 C PRO A 48 9.442 -18.347 -17.599 1.00 21.24 C ATOM 716 O PRO A 48 9.994 -18.148 -18.681 1.00 33.15 O ATOM 717 CB PRO A 48 10.382 -20.514 -16.749 1.00 52.22 C ATOM 718 CG PRO A 48 10.768 -21.270 -17.973 1.00 45.12 C ATOM 719 CD PRO A 48 9.481 -21.637 -18.657 1.00 74.30 C ATOM 0 HA PRO A 48 8.400 -19.637 -16.322 1.00 1.10 H new ATOM 0 HB2 PRO A 48 11.170 -19.825 -16.444 1.00 52.22 H new ATOM 0 HB3 PRO A 48 10.203 -21.185 -15.909 1.00 52.22 H new ATOM 0 HG2 PRO A 48 11.397 -20.663 -18.624 1.00 45.12 H new ATOM 0 HG3 PRO A 48 11.341 -22.161 -17.717 1.00 45.12 H new ATOM 0 HD2 PRO A 48 9.593 -21.654 -19.741 1.00 74.30 H new ATOM 0 HD3 PRO A 48 9.134 -22.626 -18.357 1.00 74.30 H new ATOM 727 N ALA A 49 9.105 -17.367 -16.767 1.00 4.21 N ATOM 728 CA ALA A 49 9.373 -15.970 -17.085 1.00 11.33 C ATOM 729 C ALA A 49 9.425 -15.119 -15.820 1.00 75.12 C ATOM 730 O ALA A 49 8.619 -15.300 -14.907 1.00 42.43 O ATOM 731 CB ALA A 49 8.317 -15.434 -18.040 1.00 71.44 C ATOM 0 H ALA A 49 8.646 -17.515 -15.868 1.00 4.21 H new ATOM 0 HA ALA A 49 10.348 -15.914 -17.570 1.00 11.33 H new ATOM 0 HB1 ALA A 49 8.530 -14.390 -18.269 1.00 71.44 H new ATOM 0 HB2 ALA A 49 8.330 -16.017 -18.961 1.00 71.44 H new ATOM 0 HB3 ALA A 49 7.334 -15.511 -17.576 1.00 71.44 H new ATOM 737 N GLN A 50 10.377 -14.193 -15.774 1.00 32.11 N ATOM 738 CA GLN A 50 10.532 -13.315 -14.620 1.00 65.02 C ATOM 739 C GLN A 50 11.595 -12.253 -14.884 1.00 13.11 C ATOM 740 O GLN A 50 12.603 -12.519 -15.537 1.00 3.13 O ATOM 741 CB GLN A 50 10.905 -14.129 -13.380 1.00 20.02 C ATOM 742 CG GLN A 50 10.422 -13.510 -12.078 1.00 43.32 C ATOM 743 CD GLN A 50 11.129 -14.079 -10.864 1.00 33.23 C ATOM 744 OE1 GLN A 50 10.488 -14.535 -9.916 1.00 25.31 O ATOM 745 NE2 GLN A 50 12.456 -14.056 -10.886 1.00 22.13 N ATOM 0 H GLN A 50 11.052 -14.031 -16.521 1.00 32.11 H new ATOM 0 HA GLN A 50 9.580 -12.815 -14.445 1.00 65.02 H new ATOM 0 HB2 GLN A 50 10.486 -15.131 -13.474 1.00 20.02 H new ATOM 0 HB3 GLN A 50 11.989 -14.239 -13.340 1.00 20.02 H new ATOM 0 HG2 GLN A 50 10.578 -12.432 -12.113 1.00 43.32 H new ATOM 0 HG3 GLN A 50 9.349 -13.673 -11.979 1.00 43.32 H new ATOM 0 HE21 GLN A 50 12.946 -13.669 -11.692 1.00 22.13 H new ATOM 0 HE22 GLN A 50 12.986 -14.426 -10.097 1.00 22.13 H new ATOM 754 N MET A 51 11.360 -11.049 -14.372 1.00 44.00 N ATOM 755 CA MET A 51 12.298 -9.947 -14.552 1.00 50.35 C ATOM 756 C MET A 51 12.633 -9.294 -13.215 1.00 50.53 C ATOM 757 O MET A 51 11.773 -9.162 -12.345 1.00 74.24 O ATOM 758 CB MET A 51 11.716 -8.905 -15.510 1.00 72.43 C ATOM 759 CG MET A 51 10.485 -8.199 -14.965 1.00 60.21 C ATOM 760 SD MET A 51 9.433 -7.531 -16.268 1.00 61.34 S ATOM 761 CE MET A 51 8.406 -8.952 -16.635 1.00 54.25 C ATOM 0 H MET A 51 10.529 -10.812 -13.830 1.00 44.00 H new ATOM 0 HA MET A 51 13.216 -10.351 -14.979 1.00 50.35 H new ATOM 0 HB2 MET A 51 12.481 -8.162 -15.734 1.00 72.43 H new ATOM 0 HB3 MET A 51 11.459 -9.392 -16.451 1.00 72.43 H new ATOM 0 HG2 MET A 51 9.908 -8.898 -14.360 1.00 60.21 H new ATOM 0 HG3 MET A 51 10.798 -7.390 -14.305 1.00 60.21 H new ATOM 0 HE1 MET A 51 7.570 -8.644 -17.263 1.00 54.25 H new ATOM 0 HE2 MET A 51 8.997 -9.702 -17.160 1.00 54.25 H new ATOM 0 HE3 MET A 51 8.025 -9.376 -15.706 1.00 54.25 H new ATOM 771 N ALA A 52 13.888 -8.886 -13.059 1.00 23.32 N ATOM 772 CA ALA A 52 14.336 -8.245 -11.829 1.00 33.25 C ATOM 773 C ALA A 52 15.581 -7.399 -12.072 1.00 13.12 C ATOM 774 O ALA A 52 16.454 -7.773 -12.855 1.00 4.55 O ATOM 775 CB ALA A 52 14.607 -9.291 -10.757 1.00 11.31 C ATOM 0 H ALA A 52 14.613 -8.988 -13.769 1.00 23.32 H new ATOM 0 HA ALA A 52 13.542 -7.584 -11.483 1.00 33.25 H new ATOM 0 HB1 ALA A 52 14.941 -8.798 -9.844 1.00 11.31 H new ATOM 0 HB2 ALA A 52 13.693 -9.850 -10.555 1.00 11.31 H new ATOM 0 HB3 ALA A 52 15.381 -9.975 -11.104 1.00 11.31 H new ATOM 781 N VAL A 53 15.655 -6.256 -11.397 1.00 22.34 N ATOM 782 CA VAL A 53 16.794 -5.357 -11.540 1.00 14.34 C ATOM 783 C VAL A 53 18.076 -6.009 -11.036 1.00 2.12 C ATOM 784 O VAL A 53 19.153 -5.797 -11.593 1.00 41.33 O ATOM 785 CB VAL A 53 16.567 -4.039 -10.776 1.00 13.51 C ATOM 786 CG1 VAL A 53 15.416 -3.256 -11.390 1.00 71.43 C ATOM 787 CG2 VAL A 53 16.308 -4.315 -9.302 1.00 51.35 C ATOM 0 H VAL A 53 14.940 -5.931 -10.746 1.00 22.34 H new ATOM 0 HA VAL A 53 16.894 -5.140 -12.603 1.00 14.34 H new ATOM 0 HB VAL A 53 17.470 -3.434 -10.856 1.00 13.51 H new ATOM 0 HG11 VAL A 53 15.271 -2.328 -10.837 1.00 71.43 H new ATOM 0 HG12 VAL A 53 15.646 -3.026 -12.430 1.00 71.43 H new ATOM 0 HG13 VAL A 53 14.505 -3.852 -11.344 1.00 71.43 H new ATOM 0 HG21 VAL A 53 16.150 -3.373 -8.778 1.00 51.35 H new ATOM 0 HG22 VAL A 53 15.421 -4.941 -9.199 1.00 51.35 H new ATOM 0 HG23 VAL A 53 17.167 -4.830 -8.872 1.00 51.35 H new ATOM 797 N ASP A 54 17.953 -6.804 -9.979 1.00 1.34 N ATOM 798 CA ASP A 54 19.103 -7.489 -9.399 1.00 52.30 C ATOM 799 C ASP A 54 19.070 -8.978 -9.727 1.00 63.14 C ATOM 800 O ASP A 54 18.023 -9.525 -10.071 1.00 52.12 O ATOM 801 CB ASP A 54 19.132 -7.288 -7.883 1.00 33.50 C ATOM 802 CG ASP A 54 20.465 -7.675 -7.273 1.00 73.42 C ATOM 803 OD1 ASP A 54 20.501 -7.959 -6.057 1.00 64.24 O ATOM 804 OD2 ASP A 54 21.471 -7.695 -8.012 1.00 21.40 O ATOM 0 H ASP A 54 17.069 -6.990 -9.506 1.00 1.34 H new ATOM 0 HA ASP A 54 20.007 -7.060 -9.832 1.00 52.30 H new ATOM 0 HB2 ASP A 54 18.920 -6.244 -7.654 1.00 33.50 H new ATOM 0 HB3 ASP A 54 18.340 -7.881 -7.426 1.00 33.50 H new ATOM 809 N MET A 55 20.225 -9.628 -9.620 1.00 14.12 N ATOM 810 CA MET A 55 20.328 -11.054 -9.905 1.00 74.30 C ATOM 811 C MET A 55 20.465 -11.858 -8.616 1.00 32.01 C ATOM 812 O MET A 55 19.936 -12.964 -8.505 1.00 4.21 O ATOM 813 CB MET A 55 21.523 -11.328 -10.820 1.00 74.22 C ATOM 814 CG MET A 55 21.189 -11.232 -12.300 1.00 43.11 C ATOM 815 SD MET A 55 21.229 -9.536 -12.912 1.00 73.31 S ATOM 816 CE MET A 55 22.844 -9.492 -13.684 1.00 24.32 C ATOM 0 H MET A 55 21.102 -9.190 -9.338 1.00 14.12 H new ATOM 0 HA MET A 55 19.414 -11.365 -10.410 1.00 74.30 H new ATOM 0 HB2 MET A 55 22.318 -10.619 -10.588 1.00 74.22 H new ATOM 0 HB3 MET A 55 21.912 -12.324 -10.607 1.00 74.22 H new ATOM 0 HG2 MET A 55 21.896 -11.836 -12.868 1.00 43.11 H new ATOM 0 HG3 MET A 55 20.199 -11.654 -12.473 1.00 43.11 H new ATOM 0 HE1 MET A 55 23.017 -8.504 -14.111 1.00 24.32 H new ATOM 0 HE2 MET A 55 23.610 -9.704 -12.938 1.00 24.32 H new ATOM 0 HE3 MET A 55 22.890 -10.241 -14.474 1.00 24.32 H new ATOM 826 N GLN A 56 21.177 -11.295 -7.646 1.00 3.35 N ATOM 827 CA GLN A 56 21.383 -11.960 -6.365 1.00 25.42 C ATOM 828 C GLN A 56 20.055 -12.408 -5.764 1.00 1.44 C ATOM 829 O GLN A 56 19.965 -13.472 -5.150 1.00 42.14 O ATOM 830 CB GLN A 56 22.109 -11.028 -5.393 1.00 32.45 C ATOM 831 CG GLN A 56 22.658 -11.738 -4.165 1.00 51.42 C ATOM 832 CD GLN A 56 23.727 -12.756 -4.509 1.00 3.40 C ATOM 833 OE1 GLN A 56 23.643 -13.919 -4.115 1.00 75.33 O ATOM 834 NE2 GLN A 56 24.742 -12.322 -5.248 1.00 21.14 N ATOM 0 H GLN A 56 21.621 -10.380 -7.723 1.00 3.35 H new ATOM 0 HA GLN A 56 21.998 -12.843 -6.538 1.00 25.42 H new ATOM 0 HB2 GLN A 56 22.930 -10.538 -5.917 1.00 32.45 H new ATOM 0 HB3 GLN A 56 21.423 -10.244 -5.073 1.00 32.45 H new ATOM 0 HG2 GLN A 56 23.072 -11.000 -3.478 1.00 51.42 H new ATOM 0 HG3 GLN A 56 21.841 -12.237 -3.643 1.00 51.42 H new ATOM 0 HE21 GLN A 56 24.771 -11.349 -5.553 1.00 21.14 H new ATOM 0 HE22 GLN A 56 25.492 -12.962 -5.510 1.00 21.14 H new ATOM 843 N THR A 57 19.024 -11.588 -5.943 1.00 0.42 N ATOM 844 CA THR A 57 17.700 -11.898 -5.418 1.00 63.33 C ATOM 845 C THR A 57 16.737 -12.268 -6.540 1.00 62.35 C ATOM 846 O THR A 57 15.888 -13.146 -6.380 1.00 24.41 O ATOM 847 CB THR A 57 17.117 -10.713 -4.627 1.00 1.43 C ATOM 848 OG1 THR A 57 15.742 -10.961 -4.315 1.00 12.04 O ATOM 849 CG2 THR A 57 17.237 -9.421 -5.421 1.00 12.42 C ATOM 0 H THR A 57 19.081 -10.704 -6.448 1.00 0.42 H new ATOM 0 HA THR A 57 17.818 -12.749 -4.748 1.00 63.33 H new ATOM 0 HB THR A 57 17.685 -10.607 -3.703 1.00 1.43 H new ATOM 0 HG1 THR A 57 15.379 -10.203 -3.811 1.00 12.04 H new ATOM 0 HG21 THR A 57 16.818 -8.598 -4.842 1.00 12.42 H new ATOM 0 HG22 THR A 57 18.287 -9.219 -5.631 1.00 12.42 H new ATOM 0 HG23 THR A 57 16.691 -9.519 -6.359 1.00 12.42 H new ATOM 857 N LEU A 58 16.874 -11.595 -7.677 1.00 51.51 N ATOM 858 CA LEU A 58 16.016 -11.854 -8.828 1.00 64.24 C ATOM 859 C LEU A 58 14.544 -11.787 -8.437 1.00 32.23 C ATOM 860 O LEU A 58 13.722 -12.560 -8.931 1.00 42.13 O ATOM 861 CB LEU A 58 16.335 -13.225 -9.427 1.00 73.33 C ATOM 862 CG LEU A 58 16.256 -13.327 -10.951 1.00 13.10 C ATOM 863 CD1 LEU A 58 17.583 -12.936 -11.582 1.00 1.54 C ATOM 864 CD2 LEU A 58 15.858 -14.734 -11.372 1.00 34.03 C ATOM 0 H LEU A 58 17.571 -10.866 -7.827 1.00 51.51 H new ATOM 0 HA LEU A 58 16.209 -11.084 -9.575 1.00 64.24 H new ATOM 0 HB2 LEU A 58 17.340 -13.510 -9.115 1.00 73.33 H new ATOM 0 HB3 LEU A 58 15.649 -13.955 -8.998 1.00 73.33 H new ATOM 0 HG LEU A 58 15.492 -12.634 -11.302 1.00 13.10 H new ATOM 0 HD11 LEU A 58 17.507 -13.015 -12.667 1.00 1.54 H new ATOM 0 HD12 LEU A 58 17.827 -11.909 -11.309 1.00 1.54 H new ATOM 0 HD13 LEU A 58 18.367 -13.603 -11.224 1.00 1.54 H new ATOM 0 HD21 LEU A 58 15.807 -14.788 -12.459 1.00 34.03 H new ATOM 0 HD22 LEU A 58 16.599 -15.446 -11.008 1.00 34.03 H new ATOM 0 HD23 LEU A 58 14.883 -14.978 -10.950 1.00 34.03 H new ATOM 876 N THR A 59 14.215 -10.857 -7.546 1.00 3.51 N ATOM 877 CA THR A 59 12.842 -10.687 -7.089 1.00 12.20 C ATOM 878 C THR A 59 11.881 -10.569 -8.267 1.00 22.13 C ATOM 879 O THR A 59 12.210 -10.011 -9.314 1.00 11.03 O ATOM 880 CB THR A 59 12.697 -9.440 -6.196 1.00 52.12 C ATOM 881 OG1 THR A 59 11.312 -9.114 -6.031 1.00 42.12 O ATOM 882 CG2 THR A 59 13.434 -8.254 -6.800 1.00 12.35 C ATOM 0 H THR A 59 14.882 -10.209 -7.126 1.00 3.51 H new ATOM 0 HA THR A 59 12.591 -11.573 -6.506 1.00 12.20 H new ATOM 0 HB THR A 59 13.135 -9.663 -5.223 1.00 52.12 H new ATOM 0 HG1 THR A 59 11.228 -8.321 -5.461 1.00 42.12 H new ATOM 0 HG21 THR A 59 13.318 -7.385 -6.152 1.00 12.35 H new ATOM 0 HG22 THR A 59 14.493 -8.495 -6.897 1.00 12.35 H new ATOM 0 HG23 THR A 59 13.021 -8.031 -7.784 1.00 12.35 H new ATOM 890 N PRO A 60 10.664 -11.106 -8.095 1.00 21.05 N ATOM 891 CA PRO A 60 9.630 -11.072 -9.133 1.00 30.31 C ATOM 892 C PRO A 60 9.085 -9.667 -9.363 1.00 10.11 C ATOM 893 O PRO A 60 8.489 -9.067 -8.468 1.00 5.11 O ATOM 894 CB PRO A 60 8.536 -11.985 -8.574 1.00 31.23 C ATOM 895 CG PRO A 60 8.725 -11.942 -7.097 1.00 31.04 C ATOM 896 CD PRO A 60 10.204 -11.787 -6.873 1.00 13.23 C ATOM 0 HA PRO A 60 10.015 -11.389 -10.102 1.00 30.31 H new ATOM 0 HB2 PRO A 60 7.544 -11.633 -8.857 1.00 31.23 H new ATOM 0 HB3 PRO A 60 8.635 -13.001 -8.956 1.00 31.23 H new ATOM 0 HG2 PRO A 60 8.174 -11.110 -6.657 1.00 31.04 H new ATOM 0 HG3 PRO A 60 8.353 -12.854 -6.629 1.00 31.04 H new ATOM 0 HD2 PRO A 60 10.416 -11.198 -5.981 1.00 13.23 H new ATOM 0 HD3 PRO A 60 10.694 -12.752 -6.742 1.00 13.23 H new ATOM 904 N VAL A 61 9.292 -9.147 -10.569 1.00 1.35 N ATOM 905 CA VAL A 61 8.819 -7.812 -10.917 1.00 75.51 C ATOM 906 C VAL A 61 7.732 -7.877 -11.984 1.00 54.52 C ATOM 907 O VAL A 61 7.789 -8.702 -12.895 1.00 11.31 O ATOM 908 CB VAL A 61 9.969 -6.923 -11.425 1.00 22.33 C ATOM 909 CG1 VAL A 61 9.498 -5.488 -11.601 1.00 15.04 C ATOM 910 CG2 VAL A 61 11.154 -6.991 -10.473 1.00 30.11 C ATOM 0 H VAL A 61 9.784 -9.630 -11.321 1.00 1.35 H new ATOM 0 HA VAL A 61 8.407 -7.374 -10.008 1.00 75.51 H new ATOM 0 HB VAL A 61 10.291 -7.296 -12.398 1.00 22.33 H new ATOM 0 HG11 VAL A 61 10.325 -4.875 -11.961 1.00 15.04 H new ATOM 0 HG12 VAL A 61 8.683 -5.459 -12.324 1.00 15.04 H new ATOM 0 HG13 VAL A 61 9.148 -5.100 -10.644 1.00 15.04 H new ATOM 0 HG21 VAL A 61 11.958 -6.357 -10.847 1.00 30.11 H new ATOM 0 HG22 VAL A 61 10.848 -6.645 -9.486 1.00 30.11 H new ATOM 0 HG23 VAL A 61 11.506 -8.020 -10.403 1.00 30.11 H new ATOM 920 N GLY A 62 6.740 -6.998 -11.865 1.00 64.23 N ATOM 921 CA GLY A 62 5.654 -6.971 -12.827 1.00 33.33 C ATOM 922 C GLY A 62 4.518 -7.899 -12.444 1.00 14.33 C ATOM 923 O GLY A 62 4.703 -8.825 -11.655 1.00 20.52 O ATOM 0 H GLY A 62 6.670 -6.305 -11.120 1.00 64.23 H new ATOM 0 HA2 GLY A 62 5.274 -5.953 -12.913 1.00 33.33 H new ATOM 0 HA3 GLY A 62 6.035 -7.253 -13.808 1.00 33.33 H new ATOM 927 N ARG A 63 3.338 -7.648 -13.002 1.00 33.51 N ATOM 928 CA ARG A 63 2.167 -8.467 -12.712 1.00 74.14 C ATOM 929 C ARG A 63 1.786 -9.318 -13.921 1.00 21.15 C ATOM 930 O ARG A 63 2.413 -9.231 -14.977 1.00 62.01 O ATOM 931 CB ARG A 63 0.987 -7.582 -12.307 1.00 13.12 C ATOM 932 CG ARG A 63 0.712 -7.580 -10.812 1.00 24.02 C ATOM 933 CD ARG A 63 0.015 -6.301 -10.375 1.00 22.21 C ATOM 934 NE ARG A 63 -0.897 -6.529 -9.257 1.00 64.31 N ATOM 935 CZ ARG A 63 -2.094 -7.089 -9.388 1.00 52.20 C ATOM 936 NH1 ARG A 63 -2.522 -7.476 -10.582 1.00 0.51 N ATOM 937 NH2 ARG A 63 -2.866 -7.263 -8.323 1.00 55.11 N ATOM 0 H ARG A 63 3.168 -6.885 -13.657 1.00 33.51 H new ATOM 0 HA ARG A 63 2.415 -9.131 -11.884 1.00 74.14 H new ATOM 0 HB2 ARG A 63 1.181 -6.560 -12.633 1.00 13.12 H new ATOM 0 HB3 ARG A 63 0.093 -7.920 -12.832 1.00 13.12 H new ATOM 0 HG2 ARG A 63 0.093 -8.439 -10.554 1.00 24.02 H new ATOM 0 HG3 ARG A 63 1.650 -7.688 -10.268 1.00 24.02 H new ATOM 0 HD2 ARG A 63 0.762 -5.561 -10.088 1.00 22.21 H new ATOM 0 HD3 ARG A 63 -0.540 -5.885 -11.216 1.00 22.21 H new ATOM 0 HE ARG A 63 -0.598 -6.242 -8.325 1.00 64.31 H new ATOM 0 HH11 ARG A 63 -1.931 -7.344 -11.403 1.00 0.51 H new ATOM 0 HH12 ARG A 63 -3.442 -7.906 -10.679 1.00 0.51 H new ATOM 0 HH21 ARG A 63 -2.540 -6.967 -7.403 1.00 55.11 H new ATOM 0 HH22 ARG A 63 -3.785 -7.693 -8.424 1.00 55.11 H new ATOM 951 N LEU A 64 0.756 -10.141 -13.757 1.00 52.42 N ATOM 952 CA LEU A 64 0.291 -11.008 -14.834 1.00 61.11 C ATOM 953 C LEU A 64 -1.096 -10.589 -15.311 1.00 43.42 C ATOM 954 O LEU A 64 -2.005 -10.385 -14.506 1.00 24.43 O ATOM 955 CB LEU A 64 0.263 -12.464 -14.367 1.00 22.34 C ATOM 956 CG LEU A 64 1.589 -13.222 -14.451 1.00 11.45 C ATOM 957 CD1 LEU A 64 2.044 -13.343 -15.897 1.00 34.13 C ATOM 958 CD2 LEU A 64 2.653 -12.529 -13.611 1.00 71.24 C ATOM 0 H LEU A 64 0.227 -10.226 -12.889 1.00 52.42 H new ATOM 0 HA LEU A 64 0.986 -10.913 -15.668 1.00 61.11 H new ATOM 0 HB2 LEU A 64 -0.080 -12.486 -13.333 1.00 22.34 H new ATOM 0 HB3 LEU A 64 -0.477 -13.001 -14.960 1.00 22.34 H new ATOM 0 HG LEU A 64 1.438 -14.226 -14.054 1.00 11.45 H new ATOM 0 HD11 LEU A 64 2.989 -13.885 -15.937 1.00 34.13 H new ATOM 0 HD12 LEU A 64 1.291 -13.883 -16.471 1.00 34.13 H new ATOM 0 HD13 LEU A 64 2.179 -12.348 -16.321 1.00 34.13 H new ATOM 0 HD21 LEU A 64 3.590 -13.082 -13.682 1.00 71.24 H new ATOM 0 HD22 LEU A 64 2.802 -11.513 -13.978 1.00 71.24 H new ATOM 0 HD23 LEU A 64 2.330 -12.495 -12.570 1.00 71.24 H new ATOM 970 N ILE A 65 -1.251 -10.463 -16.625 1.00 22.02 N ATOM 971 CA ILE A 65 -2.527 -10.070 -17.209 1.00 12.04 C ATOM 972 C ILE A 65 -3.150 -11.220 -17.993 1.00 51.43 C ATOM 973 O ILE A 65 -4.365 -11.417 -17.968 1.00 74.41 O ATOM 974 CB ILE A 65 -2.369 -8.854 -18.140 1.00 55.31 C ATOM 975 CG1 ILE A 65 -1.649 -7.717 -17.413 1.00 4.23 C ATOM 976 CG2 ILE A 65 -3.729 -8.391 -18.642 1.00 12.24 C ATOM 977 CD1 ILE A 65 -0.143 -7.772 -17.547 1.00 20.51 C ATOM 0 H ILE A 65 -0.509 -10.627 -17.305 1.00 22.02 H new ATOM 0 HA ILE A 65 -3.183 -9.800 -16.382 1.00 12.04 H new ATOM 0 HB ILE A 65 -1.767 -9.149 -18.999 1.00 55.31 H new ATOM 0 HG12 ILE A 65 -2.006 -6.764 -17.803 1.00 4.23 H new ATOM 0 HG13 ILE A 65 -1.913 -7.748 -16.356 1.00 4.23 H new ATOM 0 HG21 ILE A 65 -3.601 -7.531 -19.299 1.00 12.24 H new ATOM 0 HG22 ILE A 65 -4.208 -9.200 -19.193 1.00 12.24 H new ATOM 0 HG23 ILE A 65 -4.354 -8.110 -17.794 1.00 12.24 H new ATOM 0 HD11 ILE A 65 0.301 -6.936 -17.007 1.00 20.51 H new ATOM 0 HD12 ILE A 65 0.225 -8.710 -17.131 1.00 20.51 H new ATOM 0 HD13 ILE A 65 0.131 -7.710 -18.600 1.00 20.51 H new ATOM 989 N THR A 66 -2.309 -11.978 -18.690 1.00 21.04 N ATOM 990 CA THR A 66 -2.776 -13.109 -19.481 1.00 41.14 C ATOM 991 C THR A 66 -3.591 -14.077 -18.631 1.00 3.43 C ATOM 992 O THR A 66 -3.693 -13.914 -17.415 1.00 74.12 O ATOM 993 CB THR A 66 -1.600 -13.871 -20.121 1.00 42.31 C ATOM 994 OG1 THR A 66 -2.092 -14.832 -21.061 1.00 72.02 O ATOM 995 CG2 THR A 66 -0.768 -14.573 -19.059 1.00 30.05 C ATOM 0 H THR A 66 -1.301 -11.829 -18.722 1.00 21.04 H new ATOM 0 HA THR A 66 -3.409 -12.702 -20.270 1.00 41.14 H new ATOM 0 HB THR A 66 -0.967 -13.150 -20.638 1.00 42.31 H new ATOM 0 HG1 THR A 66 -2.830 -14.440 -21.573 1.00 72.02 H new ATOM 0 HG21 THR A 66 0.056 -15.104 -19.535 1.00 30.05 H new ATOM 0 HG22 THR A 66 -0.370 -13.835 -18.362 1.00 30.05 H new ATOM 0 HG23 THR A 66 -1.393 -15.283 -18.518 1.00 30.05 H new ATOM 1003 N ALA A 67 -4.168 -15.084 -19.277 1.00 41.04 N ATOM 1004 CA ALA A 67 -4.971 -16.080 -18.579 1.00 53.30 C ATOM 1005 C ALA A 67 -4.131 -17.293 -18.196 1.00 63.13 C ATOM 1006 O ALA A 67 -4.022 -17.638 -17.021 1.00 25.34 O ATOM 1007 CB ALA A 67 -6.152 -16.503 -19.440 1.00 30.40 C ATOM 0 H ALA A 67 -4.094 -15.232 -20.284 1.00 41.04 H new ATOM 0 HA ALA A 67 -5.348 -15.629 -17.661 1.00 53.30 H new ATOM 0 HB1 ALA A 67 -6.743 -17.247 -18.906 1.00 30.40 H new ATOM 0 HB2 ALA A 67 -6.773 -15.634 -19.658 1.00 30.40 H new ATOM 0 HB3 ALA A 67 -5.787 -16.931 -20.374 1.00 30.40 H new ATOM 1013 N ASN A 68 -3.539 -17.937 -19.197 1.00 51.14 N ATOM 1014 CA ASN A 68 -2.708 -19.113 -18.965 1.00 14.21 C ATOM 1015 C ASN A 68 -2.092 -19.610 -20.269 1.00 52.11 C ATOM 1016 O ASN A 68 -2.496 -20.631 -20.826 1.00 24.34 O ATOM 1017 CB ASN A 68 -3.535 -20.228 -18.321 1.00 1.41 C ATOM 1018 CG ASN A 68 -2.752 -21.519 -18.177 1.00 52.44 C ATOM 1019 OD1 ASN A 68 -1.589 -21.511 -17.774 1.00 41.43 O ATOM 1020 ND2 ASN A 68 -3.389 -22.636 -18.508 1.00 23.10 N ATOM 0 H ASN A 68 -3.619 -17.664 -20.177 1.00 51.14 H new ATOM 0 HA ASN A 68 -1.902 -18.830 -18.288 1.00 14.21 H new ATOM 0 HB2 ASN A 68 -3.877 -19.902 -17.339 1.00 1.41 H new ATOM 0 HB3 ASN A 68 -4.425 -20.411 -18.924 1.00 1.41 H new ATOM 0 HD21 ASN A 68 -2.914 -23.535 -18.433 1.00 23.10 H new ATOM 0 HD22 ASN A 68 -4.353 -22.595 -18.837 1.00 23.10 H new ATOM 1027 N PRO A 69 -1.090 -18.872 -20.769 1.00 51.32 N ATOM 1028 CA PRO A 69 -0.396 -19.218 -22.013 1.00 24.53 C ATOM 1029 C PRO A 69 0.467 -20.467 -21.866 1.00 70.31 C ATOM 1030 O PRO A 69 1.187 -20.624 -20.880 1.00 61.40 O ATOM 1031 CB PRO A 69 0.480 -17.993 -22.284 1.00 0.53 C ATOM 1032 CG PRO A 69 0.698 -17.379 -20.944 1.00 12.12 C ATOM 1033 CD PRO A 69 -0.558 -17.642 -20.159 1.00 4.11 C ATOM 0 HA PRO A 69 -1.094 -19.446 -22.819 1.00 24.53 H new ATOM 0 HB2 PRO A 69 1.425 -18.277 -22.748 1.00 0.53 H new ATOM 0 HB3 PRO A 69 -0.012 -17.297 -22.963 1.00 0.53 H new ATOM 0 HG2 PRO A 69 1.566 -17.817 -20.450 1.00 12.12 H new ATOM 0 HG3 PRO A 69 0.887 -16.309 -21.031 1.00 12.12 H new ATOM 0 HD2 PRO A 69 -0.348 -17.778 -19.098 1.00 4.11 H new ATOM 0 HD3 PRO A 69 -1.264 -16.815 -20.241 1.00 4.11 H new ATOM 1041 N VAL A 70 0.390 -21.354 -22.854 1.00 13.33 N ATOM 1042 CA VAL A 70 1.165 -22.589 -22.835 1.00 53.50 C ATOM 1043 C VAL A 70 1.589 -22.992 -24.242 1.00 64.25 C ATOM 1044 O VAL A 70 1.041 -22.504 -25.231 1.00 74.50 O ATOM 1045 CB VAL A 70 0.366 -23.743 -22.201 1.00 1.23 C ATOM 1046 CG1 VAL A 70 -0.099 -23.366 -20.802 1.00 45.43 C ATOM 1047 CG2 VAL A 70 -0.816 -24.119 -23.081 1.00 11.10 C ATOM 0 H VAL A 70 -0.201 -21.240 -23.677 1.00 13.33 H new ATOM 0 HA VAL A 70 2.052 -22.397 -22.232 1.00 53.50 H new ATOM 0 HB VAL A 70 1.019 -24.612 -22.119 1.00 1.23 H new ATOM 0 HG11 VAL A 70 -0.662 -24.194 -20.370 1.00 45.43 H new ATOM 0 HG12 VAL A 70 0.767 -23.151 -20.176 1.00 45.43 H new ATOM 0 HG13 VAL A 70 -0.736 -22.483 -20.856 1.00 45.43 H new ATOM 0 HG21 VAL A 70 -1.369 -24.936 -22.618 1.00 11.10 H new ATOM 0 HG22 VAL A 70 -1.472 -23.256 -23.197 1.00 11.10 H new ATOM 0 HG23 VAL A 70 -0.455 -24.435 -24.060 1.00 11.10 H new ATOM 1057 N ILE A 71 2.569 -23.886 -24.325 1.00 41.14 N ATOM 1058 CA ILE A 71 3.066 -24.357 -25.612 1.00 41.43 C ATOM 1059 C ILE A 71 2.117 -25.379 -26.228 1.00 33.15 C ATOM 1060 O ILE A 71 2.099 -26.545 -25.831 1.00 45.01 O ATOM 1061 CB ILE A 71 4.465 -24.987 -25.479 1.00 41.32 C ATOM 1062 CG1 ILE A 71 5.450 -23.976 -24.888 1.00 15.32 C ATOM 1063 CG2 ILE A 71 4.954 -25.481 -26.832 1.00 61.23 C ATOM 1064 CD1 ILE A 71 5.583 -22.711 -25.708 1.00 32.45 C ATOM 0 H ILE A 71 3.034 -24.298 -23.516 1.00 41.14 H new ATOM 0 HA ILE A 71 3.129 -23.485 -26.263 1.00 41.43 H new ATOM 0 HB ILE A 71 4.400 -25.840 -24.804 1.00 41.32 H new ATOM 0 HG12 ILE A 71 5.128 -23.714 -23.880 1.00 15.32 H new ATOM 0 HG13 ILE A 71 6.430 -24.445 -24.798 1.00 15.32 H new ATOM 0 HG21 ILE A 71 5.944 -25.924 -26.722 1.00 61.23 H new ATOM 0 HG22 ILE A 71 4.262 -26.230 -27.217 1.00 61.23 H new ATOM 0 HG23 ILE A 71 5.006 -24.644 -27.528 1.00 61.23 H new ATOM 0 HD11 ILE A 71 6.297 -22.041 -25.230 1.00 32.45 H new ATOM 0 HD12 ILE A 71 5.935 -22.961 -26.709 1.00 32.45 H new ATOM 0 HD13 ILE A 71 4.613 -22.218 -25.777 1.00 32.45 H new ATOM 1076 N THR A 72 1.328 -24.935 -27.201 1.00 73.32 N ATOM 1077 CA THR A 72 0.375 -25.811 -27.872 1.00 1.20 C ATOM 1078 C THR A 72 1.029 -26.544 -29.038 1.00 32.34 C ATOM 1079 O THR A 72 0.794 -27.735 -29.243 1.00 4.41 O ATOM 1080 CB THR A 72 -0.841 -25.023 -28.393 1.00 54.15 C ATOM 1081 OG1 THR A 72 -0.419 -24.052 -29.357 1.00 55.34 O ATOM 1082 CG2 THR A 72 -1.567 -24.329 -27.251 1.00 2.33 C ATOM 0 H THR A 72 1.330 -23.974 -27.542 1.00 73.32 H new ATOM 0 HA THR A 72 0.038 -26.538 -27.133 1.00 1.20 H new ATOM 0 HB THR A 72 -1.527 -25.727 -28.863 1.00 54.15 H new ATOM 0 HG1 THR A 72 -1.198 -23.556 -29.685 1.00 55.34 H new ATOM 0 HG21 THR A 72 -2.422 -23.779 -27.644 1.00 2.33 H new ATOM 0 HG22 THR A 72 -1.913 -25.074 -26.534 1.00 2.33 H new ATOM 0 HG23 THR A 72 -0.887 -23.636 -26.755 1.00 2.33 H new ATOM 1090 N GLU A 73 1.850 -25.826 -29.797 1.00 51.22 N ATOM 1091 CA GLU A 73 2.537 -26.410 -30.943 1.00 23.44 C ATOM 1092 C GLU A 73 3.316 -27.657 -30.532 1.00 12.11 C ATOM 1093 O GLU A 73 3.970 -27.678 -29.489 1.00 50.24 O ATOM 1094 CB GLU A 73 3.486 -25.388 -31.573 1.00 35.13 C ATOM 1095 CG GLU A 73 2.772 -24.293 -32.348 1.00 2.14 C ATOM 1096 CD GLU A 73 1.872 -24.841 -33.437 1.00 74.34 C ATOM 1097 OE1 GLU A 73 2.316 -25.747 -34.174 1.00 2.14 O ATOM 1098 OE2 GLU A 73 0.723 -24.365 -33.554 1.00 62.13 O ATOM 0 H GLU A 73 2.056 -24.839 -29.639 1.00 51.22 H new ATOM 0 HA GLU A 73 1.785 -26.697 -31.677 1.00 23.44 H new ATOM 0 HB2 GLU A 73 4.089 -24.932 -30.788 1.00 35.13 H new ATOM 0 HB3 GLU A 73 4.173 -25.906 -32.242 1.00 35.13 H new ATOM 0 HG2 GLU A 73 2.178 -23.693 -31.658 1.00 2.14 H new ATOM 0 HG3 GLU A 73 3.511 -23.627 -32.794 1.00 2.14 H new ATOM 1105 N SER A 74 3.239 -28.695 -31.359 1.00 43.51 N ATOM 1106 CA SER A 74 3.933 -29.947 -31.081 1.00 13.22 C ATOM 1107 C SER A 74 5.358 -29.911 -31.624 1.00 72.03 C ATOM 1108 O SER A 74 6.282 -30.451 -31.015 1.00 33.11 O ATOM 1109 CB SER A 74 3.170 -31.123 -31.694 1.00 25.45 C ATOM 1110 OG SER A 74 3.329 -31.156 -33.101 1.00 63.43 O ATOM 0 H SER A 74 2.703 -28.694 -32.227 1.00 43.51 H new ATOM 0 HA SER A 74 3.979 -30.077 -30.000 1.00 13.22 H new ATOM 0 HB2 SER A 74 3.528 -32.058 -31.262 1.00 25.45 H new ATOM 0 HB3 SER A 74 2.112 -31.043 -31.446 1.00 25.45 H new ATOM 0 HG SER A 74 2.833 -31.917 -33.468 1.00 63.43 H new ATOM 1116 N THR A 75 5.529 -29.270 -32.776 1.00 63.25 N ATOM 1117 CA THR A 75 6.840 -29.163 -33.404 1.00 5.15 C ATOM 1118 C THR A 75 7.815 -28.402 -32.512 1.00 44.24 C ATOM 1119 O THR A 75 7.425 -27.838 -31.491 1.00 2.31 O ATOM 1120 CB THR A 75 6.754 -28.457 -34.770 1.00 74.20 C ATOM 1121 OG1 THR A 75 8.018 -28.526 -35.438 1.00 62.12 O ATOM 1122 CG2 THR A 75 6.341 -27.003 -34.603 1.00 4.54 C ATOM 0 H THR A 75 4.776 -28.817 -33.293 1.00 63.25 H new ATOM 0 HA THR A 75 7.203 -30.180 -33.552 1.00 5.15 H new ATOM 0 HB THR A 75 5.999 -28.965 -35.370 1.00 74.20 H new ATOM 0 HG1 THR A 75 7.954 -28.076 -36.306 1.00 62.12 H new ATOM 0 HG21 THR A 75 6.287 -26.525 -35.581 1.00 4.54 H new ATOM 0 HG22 THR A 75 5.364 -26.955 -34.122 1.00 4.54 H new ATOM 0 HG23 THR A 75 7.075 -26.485 -33.986 1.00 4.54 H new ATOM 1130 N GLU A 76 9.085 -28.390 -32.907 1.00 31.02 N ATOM 1131 CA GLU A 76 10.115 -27.695 -32.143 1.00 71.33 C ATOM 1132 C GLU A 76 10.106 -26.201 -32.452 1.00 12.12 C ATOM 1133 O GLU A 76 9.465 -25.757 -33.403 1.00 55.30 O ATOM 1134 CB GLU A 76 11.494 -28.283 -32.452 1.00 55.34 C ATOM 1135 CG GLU A 76 11.874 -28.202 -33.921 1.00 71.43 C ATOM 1136 CD GLU A 76 13.363 -28.375 -34.148 1.00 43.35 C ATOM 1137 OE1 GLU A 76 14.148 -27.970 -33.265 1.00 42.45 O ATOM 1138 OE2 GLU A 76 13.744 -28.914 -35.208 1.00 52.14 O ATOM 0 H GLU A 76 9.425 -28.853 -33.750 1.00 31.02 H new ATOM 0 HA GLU A 76 9.899 -27.830 -31.083 1.00 71.33 H new ATOM 0 HB2 GLU A 76 12.245 -27.757 -31.862 1.00 55.34 H new ATOM 0 HB3 GLU A 76 11.514 -29.326 -32.137 1.00 55.34 H new ATOM 0 HG2 GLU A 76 11.334 -28.970 -34.475 1.00 71.43 H new ATOM 0 HG3 GLU A 76 11.559 -27.239 -34.322 1.00 71.43 H new ATOM 1145 N ASN A 77 10.822 -25.431 -31.639 1.00 40.42 N ATOM 1146 CA ASN A 77 10.896 -23.986 -31.824 1.00 13.23 C ATOM 1147 C ASN A 77 9.522 -23.344 -31.650 1.00 63.53 C ATOM 1148 O ASN A 77 9.069 -22.582 -32.504 1.00 65.32 O ATOM 1149 CB ASN A 77 11.454 -23.655 -33.209 1.00 71.44 C ATOM 1150 CG ASN A 77 12.613 -24.554 -33.595 1.00 71.21 C ATOM 1151 OD1 ASN A 77 13.479 -24.856 -32.774 1.00 3.50 O ATOM 1152 ND2 ASN A 77 12.634 -24.987 -34.851 1.00 13.35 N ATOM 0 H ASN A 77 11.359 -25.783 -30.846 1.00 40.42 H new ATOM 0 HA ASN A 77 11.565 -23.582 -31.065 1.00 13.23 H new ATOM 0 HB2 ASN A 77 10.660 -23.751 -33.950 1.00 71.44 H new ATOM 0 HB3 ASN A 77 11.782 -22.616 -33.227 1.00 71.44 H new ATOM 0 HD21 ASN A 77 13.389 -25.595 -35.168 1.00 13.35 H new ATOM 0 HD22 ASN A 77 11.895 -24.711 -35.498 1.00 13.35 H new ATOM 1159 N SER A 78 8.865 -23.658 -30.539 1.00 33.54 N ATOM 1160 CA SER A 78 7.540 -23.118 -30.255 1.00 44.23 C ATOM 1161 C SER A 78 7.639 -21.696 -29.710 1.00 62.40 C ATOM 1162 O SER A 78 8.556 -21.370 -28.955 1.00 73.23 O ATOM 1163 CB SER A 78 6.806 -24.011 -29.254 1.00 15.55 C ATOM 1164 OG SER A 78 6.420 -25.237 -29.850 1.00 52.42 O ATOM 0 H SER A 78 9.228 -24.284 -29.820 1.00 33.54 H new ATOM 0 HA SER A 78 6.977 -23.092 -31.188 1.00 44.23 H new ATOM 0 HB2 SER A 78 7.450 -24.207 -28.397 1.00 15.55 H new ATOM 0 HB3 SER A 78 5.924 -23.492 -28.878 1.00 15.55 H new ATOM 0 HG SER A 78 6.407 -25.942 -29.169 1.00 52.42 H new ATOM 1170 N LYS A 79 6.688 -20.853 -30.098 1.00 23.31 N ATOM 1171 CA LYS A 79 6.665 -19.467 -29.648 1.00 55.41 C ATOM 1172 C LYS A 79 5.274 -19.078 -29.156 1.00 51.25 C ATOM 1173 O LYS A 79 4.283 -19.725 -29.494 1.00 51.31 O ATOM 1174 CB LYS A 79 7.095 -18.534 -30.782 1.00 45.40 C ATOM 1175 CG LYS A 79 8.461 -18.867 -31.358 1.00 53.22 C ATOM 1176 CD LYS A 79 8.585 -18.406 -32.801 1.00 34.40 C ATOM 1177 CE LYS A 79 9.879 -18.895 -33.433 1.00 30.12 C ATOM 1178 NZ LYS A 79 10.052 -18.374 -34.817 1.00 11.31 N ATOM 0 H LYS A 79 5.923 -21.106 -30.723 1.00 23.31 H new ATOM 0 HA LYS A 79 7.366 -19.369 -28.819 1.00 55.41 H new ATOM 0 HB2 LYS A 79 6.353 -18.579 -31.579 1.00 45.40 H new ATOM 0 HB3 LYS A 79 7.105 -17.508 -30.413 1.00 45.40 H new ATOM 0 HG2 LYS A 79 9.236 -18.393 -30.756 1.00 53.22 H new ATOM 0 HG3 LYS A 79 8.628 -19.943 -31.303 1.00 53.22 H new ATOM 0 HD2 LYS A 79 7.736 -18.775 -33.376 1.00 34.40 H new ATOM 0 HD3 LYS A 79 8.548 -17.317 -32.841 1.00 34.40 H new ATOM 0 HE2 LYS A 79 10.724 -18.582 -32.819 1.00 30.12 H new ATOM 0 HE3 LYS A 79 9.885 -19.985 -33.452 1.00 30.12 H new ATOM 0 HZ1 LYS A 79 10.945 -18.730 -35.213 1.00 11.31 H new ATOM 0 HZ2 LYS A 79 9.259 -18.693 -35.410 1.00 11.31 H new ATOM 0 HZ3 LYS A 79 10.072 -17.334 -34.797 1.00 11.31 H new ATOM 1192 N MET A 80 5.208 -18.017 -28.359 1.00 4.13 N ATOM 1193 CA MET A 80 3.938 -17.542 -27.822 1.00 23.10 C ATOM 1194 C MET A 80 4.123 -16.228 -27.071 1.00 10.44 C ATOM 1195 O MET A 80 4.916 -16.144 -26.133 1.00 70.22 O ATOM 1196 CB MET A 80 3.328 -18.593 -26.892 1.00 42.05 C ATOM 1197 CG MET A 80 1.813 -18.515 -26.799 1.00 71.41 C ATOM 1198 SD MET A 80 1.161 -19.374 -25.354 1.00 3.14 S ATOM 1199 CE MET A 80 -0.594 -19.076 -25.546 1.00 14.23 C ATOM 0 H MET A 80 6.019 -17.470 -28.071 1.00 4.13 H new ATOM 0 HA MET A 80 3.260 -17.370 -28.658 1.00 23.10 H new ATOM 0 HB2 MET A 80 3.612 -19.585 -27.243 1.00 42.05 H new ATOM 0 HB3 MET A 80 3.752 -18.474 -25.895 1.00 42.05 H new ATOM 0 HG2 MET A 80 1.508 -17.469 -26.763 1.00 71.41 H new ATOM 0 HG3 MET A 80 1.375 -18.944 -27.700 1.00 71.41 H new ATOM 0 HE1 MET A 80 -1.153 -19.907 -25.116 1.00 14.23 H new ATOM 0 HE2 MET A 80 -0.865 -18.153 -25.033 1.00 14.23 H new ATOM 0 HE3 MET A 80 -0.834 -18.987 -26.605 1.00 14.23 H new ATOM 1209 N MET A 81 3.386 -15.203 -27.489 1.00 23.54 N ATOM 1210 CA MET A 81 3.469 -13.893 -26.853 1.00 71.44 C ATOM 1211 C MET A 81 2.722 -13.886 -25.523 1.00 61.04 C ATOM 1212 O MET A 81 1.754 -14.625 -25.339 1.00 61.32 O ATOM 1213 CB MET A 81 2.897 -12.817 -27.779 1.00 24.35 C ATOM 1214 CG MET A 81 3.933 -12.200 -28.705 1.00 75.20 C ATOM 1215 SD MET A 81 3.208 -11.557 -30.226 1.00 31.13 S ATOM 1216 CE MET A 81 3.846 -9.884 -30.223 1.00 41.55 C ATOM 0 H MET A 81 2.725 -15.255 -28.265 1.00 23.54 H new ATOM 0 HA MET A 81 4.519 -13.676 -26.660 1.00 71.44 H new ATOM 0 HB2 MET A 81 2.098 -13.253 -28.379 1.00 24.35 H new ATOM 0 HB3 MET A 81 2.447 -12.030 -27.174 1.00 24.35 H new ATOM 0 HG2 MET A 81 4.447 -11.393 -28.183 1.00 75.20 H new ATOM 0 HG3 MET A 81 4.685 -12.949 -28.954 1.00 75.20 H new ATOM 0 HE1 MET A 81 3.780 -9.468 -31.228 1.00 41.55 H new ATOM 0 HE2 MET A 81 3.259 -9.272 -29.538 1.00 41.55 H new ATOM 0 HE3 MET A 81 4.887 -9.892 -29.901 1.00 41.55 H new ATOM 1226 N LEU A 82 3.177 -13.047 -24.599 1.00 61.42 N ATOM 1227 CA LEU A 82 2.553 -12.945 -23.285 1.00 34.02 C ATOM 1228 C LEU A 82 2.389 -11.486 -22.872 1.00 15.21 C ATOM 1229 O LEU A 82 3.260 -10.656 -23.131 1.00 32.52 O ATOM 1230 CB LEU A 82 3.387 -13.691 -22.242 1.00 61.13 C ATOM 1231 CG LEU A 82 4.013 -15.008 -22.701 1.00 63.45 C ATOM 1232 CD1 LEU A 82 5.027 -15.502 -21.681 1.00 44.41 C ATOM 1233 CD2 LEU A 82 2.936 -16.058 -22.936 1.00 44.40 C ATOM 0 H LEU A 82 3.976 -12.428 -24.736 1.00 61.42 H new ATOM 0 HA LEU A 82 1.565 -13.401 -23.344 1.00 34.02 H new ATOM 0 HB2 LEU A 82 4.186 -13.030 -21.904 1.00 61.13 H new ATOM 0 HB3 LEU A 82 2.755 -13.894 -21.378 1.00 61.13 H new ATOM 0 HG LEU A 82 4.532 -14.831 -23.643 1.00 63.45 H new ATOM 0 HD11 LEU A 82 5.462 -16.440 -22.025 1.00 44.41 H new ATOM 0 HD12 LEU A 82 5.815 -14.759 -21.562 1.00 44.41 H new ATOM 0 HD13 LEU A 82 4.532 -15.661 -20.723 1.00 44.41 H new ATOM 0 HD21 LEU A 82 3.400 -16.989 -23.262 1.00 44.40 H new ATOM 0 HD22 LEU A 82 2.388 -16.231 -22.010 1.00 44.40 H new ATOM 0 HD23 LEU A 82 2.247 -15.707 -23.705 1.00 44.40 H new ATOM 1245 N GLU A 83 1.267 -11.181 -22.227 1.00 32.11 N ATOM 1246 CA GLU A 83 0.990 -9.822 -21.778 1.00 55.55 C ATOM 1247 C GLU A 83 1.660 -9.544 -20.436 1.00 35.32 C ATOM 1248 O GLU A 83 1.475 -10.288 -19.472 1.00 24.54 O ATOM 1249 CB GLU A 83 -0.520 -9.596 -21.664 1.00 24.30 C ATOM 1250 CG GLU A 83 -1.213 -9.424 -23.005 1.00 43.40 C ATOM 1251 CD GLU A 83 -0.994 -8.047 -23.602 1.00 3.01 C ATOM 1252 OE1 GLU A 83 -1.995 -7.349 -23.864 1.00 54.50 O ATOM 1253 OE2 GLU A 83 0.178 -7.668 -23.807 1.00 62.21 O ATOM 0 H GLU A 83 0.536 -11.856 -22.004 1.00 32.11 H new ATOM 0 HA GLU A 83 1.398 -9.133 -22.517 1.00 55.55 H new ATOM 0 HB2 GLU A 83 -0.967 -10.441 -21.140 1.00 24.30 H new ATOM 0 HB3 GLU A 83 -0.701 -8.711 -21.055 1.00 24.30 H new ATOM 0 HG2 GLU A 83 -0.846 -10.180 -23.699 1.00 43.40 H new ATOM 0 HG3 GLU A 83 -2.282 -9.597 -22.882 1.00 43.40 H new ATOM 1260 N LEU A 84 2.438 -8.469 -20.381 1.00 31.23 N ATOM 1261 CA LEU A 84 3.136 -8.092 -19.157 1.00 11.15 C ATOM 1262 C LEU A 84 2.945 -6.609 -18.856 1.00 13.23 C ATOM 1263 O LEU A 84 3.091 -5.762 -19.738 1.00 32.42 O ATOM 1264 CB LEU A 84 4.627 -8.411 -19.277 1.00 71.41 C ATOM 1265 CG LEU A 84 4.974 -9.809 -19.792 1.00 4.24 C ATOM 1266 CD1 LEU A 84 6.446 -9.889 -20.167 1.00 10.20 C ATOM 1267 CD2 LEU A 84 4.630 -10.862 -18.749 1.00 22.04 C ATOM 0 H LEU A 84 2.601 -7.843 -21.170 1.00 31.23 H new ATOM 0 HA LEU A 84 2.712 -8.669 -18.335 1.00 11.15 H new ATOM 0 HB2 LEU A 84 5.083 -7.677 -19.941 1.00 71.41 H new ATOM 0 HB3 LEU A 84 5.086 -8.282 -18.297 1.00 71.41 H new ATOM 0 HG LEU A 84 4.381 -10.004 -20.686 1.00 4.24 H new ATOM 0 HD11 LEU A 84 6.675 -10.891 -20.531 1.00 10.20 H new ATOM 0 HD12 LEU A 84 6.663 -9.160 -20.948 1.00 10.20 H new ATOM 0 HD13 LEU A 84 7.057 -9.673 -19.290 1.00 10.20 H new ATOM 0 HD21 LEU A 84 4.883 -11.850 -19.132 1.00 22.04 H new ATOM 0 HD22 LEU A 84 5.196 -10.670 -17.838 1.00 22.04 H new ATOM 0 HD23 LEU A 84 3.563 -10.821 -18.529 1.00 22.04 H new ATOM 1279 N ASP A 85 2.619 -6.301 -17.605 1.00 25.30 N ATOM 1280 CA ASP A 85 2.412 -4.920 -17.187 1.00 15.15 C ATOM 1281 C ASP A 85 3.382 -4.537 -16.073 1.00 60.44 C ATOM 1282 O ASP A 85 2.998 -4.348 -14.919 1.00 72.12 O ATOM 1283 CB ASP A 85 0.970 -4.719 -16.715 1.00 45.21 C ATOM 1284 CG ASP A 85 0.055 -4.256 -17.832 1.00 22.52 C ATOM 1285 OD1 ASP A 85 0.528 -3.514 -18.718 1.00 0.11 O ATOM 1286 OD2 ASP A 85 -1.134 -4.638 -17.820 1.00 44.12 O ATOM 0 H ASP A 85 2.493 -6.990 -16.863 1.00 25.30 H new ATOM 0 HA ASP A 85 2.600 -4.275 -18.045 1.00 15.15 H new ATOM 0 HB2 ASP A 85 0.592 -5.655 -16.303 1.00 45.21 H new ATOM 0 HB3 ASP A 85 0.954 -3.986 -15.908 1.00 45.21 H new ATOM 1291 N PRO A 86 4.671 -4.421 -16.426 1.00 20.53 N ATOM 1292 CA PRO A 86 5.723 -4.061 -15.471 1.00 2.31 C ATOM 1293 C PRO A 86 5.617 -2.611 -15.012 1.00 11.44 C ATOM 1294 O PRO A 86 4.879 -1.806 -15.581 1.00 33.40 O ATOM 1295 CB PRO A 86 7.013 -4.276 -16.266 1.00 62.44 C ATOM 1296 CG PRO A 86 6.610 -4.118 -17.692 1.00 2.22 C ATOM 1297 CD PRO A 86 5.200 -4.633 -17.783 1.00 65.24 C ATOM 0 HA PRO A 86 5.665 -4.654 -14.558 1.00 2.31 H new ATOM 0 HB2 PRO A 86 7.776 -3.549 -15.987 1.00 62.44 H new ATOM 0 HB3 PRO A 86 7.432 -5.265 -16.080 1.00 62.44 H new ATOM 0 HG2 PRO A 86 6.665 -3.074 -18.000 1.00 2.22 H new ATOM 0 HG3 PRO A 86 7.274 -4.679 -18.350 1.00 2.22 H new ATOM 0 HD2 PRO A 86 4.621 -4.089 -18.529 1.00 65.24 H new ATOM 0 HD3 PRO A 86 5.174 -5.686 -18.064 1.00 65.24 H new ATOM 1305 N PRO A 87 6.371 -2.266 -13.957 1.00 61.12 N ATOM 1306 CA PRO A 87 6.379 -0.911 -13.399 1.00 10.14 C ATOM 1307 C PRO A 87 7.047 0.096 -14.329 1.00 75.12 C ATOM 1308 O PRO A 87 7.357 -0.217 -15.479 1.00 23.33 O ATOM 1309 CB PRO A 87 7.188 -1.064 -12.108 1.00 14.10 C ATOM 1310 CG PRO A 87 8.063 -2.245 -12.347 1.00 61.23 C ATOM 1311 CD PRO A 87 7.275 -3.173 -13.230 1.00 34.14 C ATOM 0 HA PRO A 87 5.370 -0.529 -13.244 1.00 10.14 H new ATOM 0 HB2 PRO A 87 7.777 -0.170 -11.902 1.00 14.10 H new ATOM 0 HB3 PRO A 87 6.536 -1.222 -11.249 1.00 14.10 H new ATOM 0 HG2 PRO A 87 8.996 -1.949 -12.827 1.00 61.23 H new ATOM 0 HG3 PRO A 87 8.328 -2.731 -11.408 1.00 61.23 H new ATOM 0 HD2 PRO A 87 7.922 -3.726 -13.911 1.00 34.14 H new ATOM 0 HD3 PRO A 87 6.722 -3.909 -12.647 1.00 34.14 H new ATOM 1319 N PHE A 88 7.265 1.306 -13.825 1.00 70.04 N ATOM 1320 CA PHE A 88 7.895 2.359 -14.613 1.00 3.45 C ATOM 1321 C PHE A 88 9.394 2.425 -14.333 1.00 32.15 C ATOM 1322 O PHE A 88 9.820 2.467 -13.179 1.00 53.41 O ATOM 1323 CB PHE A 88 7.248 3.711 -14.305 1.00 41.43 C ATOM 1324 CG PHE A 88 7.503 4.194 -12.906 1.00 32.21 C ATOM 1325 CD1 PHE A 88 6.674 3.809 -11.865 1.00 15.33 C ATOM 1326 CD2 PHE A 88 8.571 5.032 -12.632 1.00 3.32 C ATOM 1327 CE1 PHE A 88 6.905 4.251 -10.576 1.00 3.14 C ATOM 1328 CE2 PHE A 88 8.808 5.477 -11.345 1.00 23.22 C ATOM 1329 CZ PHE A 88 7.974 5.087 -10.316 1.00 34.23 C ATOM 0 H PHE A 88 7.015 1.582 -12.875 1.00 70.04 H new ATOM 0 HA PHE A 88 7.750 2.126 -15.668 1.00 3.45 H new ATOM 0 HB2 PHE A 88 7.622 4.453 -15.011 1.00 41.43 H new ATOM 0 HB3 PHE A 88 6.172 3.634 -14.464 1.00 41.43 H new ATOM 0 HD1 PHE A 88 5.837 3.156 -12.063 1.00 15.33 H new ATOM 0 HD2 PHE A 88 9.226 5.341 -13.433 1.00 3.32 H new ATOM 0 HE1 PHE A 88 6.251 3.943 -9.773 1.00 3.14 H new ATOM 0 HE2 PHE A 88 9.645 6.129 -11.144 1.00 23.22 H new ATOM 0 HZ PHE A 88 8.157 5.435 -9.310 1.00 34.23 H new ATOM 1339 N GLY A 89 10.189 2.432 -15.398 1.00 63.00 N ATOM 1340 CA GLY A 89 11.631 2.491 -15.247 1.00 24.03 C ATOM 1341 C GLY A 89 12.351 1.534 -16.176 1.00 5.10 C ATOM 1342 O GLY A 89 12.069 1.491 -17.374 1.00 22.35 O ATOM 0 H GLY A 89 9.860 2.398 -16.363 1.00 63.00 H new ATOM 0 HA2 GLY A 89 11.972 3.508 -15.442 1.00 24.03 H new ATOM 0 HA3 GLY A 89 11.895 2.259 -14.215 1.00 24.03 H new ATOM 1346 N ASP A 90 13.285 0.767 -15.625 1.00 21.44 N ATOM 1347 CA ASP A 90 14.050 -0.193 -16.413 1.00 35.13 C ATOM 1348 C ASP A 90 14.179 -1.522 -15.675 1.00 12.14 C ATOM 1349 O ASP A 90 14.092 -1.573 -14.448 1.00 11.12 O ATOM 1350 CB ASP A 90 15.438 0.366 -16.730 1.00 34.53 C ATOM 1351 CG ASP A 90 16.003 1.192 -15.591 1.00 60.32 C ATOM 1352 OD1 ASP A 90 16.017 0.693 -14.446 1.00 42.20 O ATOM 1353 OD2 ASP A 90 16.432 2.336 -15.845 1.00 41.35 O ATOM 0 H ASP A 90 13.531 0.791 -14.635 1.00 21.44 H new ATOM 0 HA ASP A 90 13.515 -0.367 -17.347 1.00 35.13 H new ATOM 0 HB2 ASP A 90 16.117 -0.458 -16.949 1.00 34.53 H new ATOM 0 HB3 ASP A 90 15.382 0.981 -17.628 1.00 34.53 H new ATOM 1358 N SER A 91 14.386 -2.595 -16.431 1.00 32.43 N ATOM 1359 CA SER A 91 14.521 -3.926 -15.849 1.00 2.41 C ATOM 1360 C SER A 91 15.250 -4.865 -16.805 1.00 32.10 C ATOM 1361 O SER A 91 15.657 -4.465 -17.896 1.00 21.31 O ATOM 1362 CB SER A 91 13.145 -4.497 -15.504 1.00 74.24 C ATOM 1363 OG SER A 91 12.354 -4.659 -16.669 1.00 54.10 O ATOM 0 H SER A 91 14.464 -2.569 -17.448 1.00 32.43 H new ATOM 0 HA SER A 91 15.109 -3.838 -14.935 1.00 2.41 H new ATOM 0 HB2 SER A 91 13.262 -5.458 -15.003 1.00 74.24 H new ATOM 0 HB3 SER A 91 12.637 -3.833 -14.805 1.00 74.24 H new ATOM 0 HG SER A 91 11.480 -5.027 -16.422 1.00 54.10 H new ATOM 1369 N TYR A 92 15.410 -6.116 -16.387 1.00 43.23 N ATOM 1370 CA TYR A 92 16.092 -7.113 -17.204 1.00 41.21 C ATOM 1371 C TYR A 92 15.223 -8.353 -17.387 1.00 63.45 C ATOM 1372 O TYR A 92 15.109 -9.183 -16.485 1.00 72.41 O ATOM 1373 CB TYR A 92 17.426 -7.501 -16.565 1.00 3.25 C ATOM 1374 CG TYR A 92 18.468 -6.407 -16.627 1.00 25.21 C ATOM 1375 CD1 TYR A 92 18.726 -5.602 -15.524 1.00 34.11 C ATOM 1376 CD2 TYR A 92 19.195 -6.178 -17.789 1.00 22.14 C ATOM 1377 CE1 TYR A 92 19.676 -4.601 -15.576 1.00 64.23 C ATOM 1378 CE2 TYR A 92 20.149 -5.181 -17.850 1.00 12.44 C ATOM 1379 CZ TYR A 92 20.386 -4.395 -16.741 1.00 54.31 C ATOM 1380 OH TYR A 92 21.334 -3.399 -16.798 1.00 53.03 O ATOM 0 H TYR A 92 15.077 -6.464 -15.488 1.00 43.23 H new ATOM 0 HA TYR A 92 16.281 -6.675 -18.184 1.00 41.21 H new ATOM 0 HB2 TYR A 92 17.255 -7.770 -15.523 1.00 3.25 H new ATOM 0 HB3 TYR A 92 17.814 -8.389 -17.064 1.00 3.25 H new ATOM 0 HD1 TYR A 92 18.174 -5.762 -14.610 1.00 34.11 H new ATOM 0 HD2 TYR A 92 19.011 -6.790 -18.659 1.00 22.14 H new ATOM 0 HE1 TYR A 92 19.862 -3.983 -14.710 1.00 64.23 H new ATOM 0 HE2 TYR A 92 20.706 -5.018 -18.761 1.00 12.44 H new ATOM 0 HH TYR A 92 21.743 -3.387 -17.688 1.00 53.03 H new ATOM 1390 N ILE A 93 14.614 -8.472 -18.562 1.00 72.41 N ATOM 1391 CA ILE A 93 13.756 -9.611 -18.865 1.00 64.44 C ATOM 1392 C ILE A 93 14.569 -10.896 -18.980 1.00 24.54 C ATOM 1393 O ILE A 93 15.362 -11.062 -19.907 1.00 4.14 O ATOM 1394 CB ILE A 93 12.974 -9.394 -20.174 1.00 72.30 C ATOM 1395 CG1 ILE A 93 12.121 -8.127 -20.080 1.00 22.43 C ATOM 1396 CG2 ILE A 93 12.103 -10.604 -20.477 1.00 73.21 C ATOM 1397 CD1 ILE A 93 11.653 -7.612 -21.423 1.00 24.51 C ATOM 0 H ILE A 93 14.699 -7.794 -19.319 1.00 72.41 H new ATOM 0 HA ILE A 93 13.050 -9.702 -18.040 1.00 64.44 H new ATOM 0 HB ILE A 93 13.686 -9.270 -20.990 1.00 72.30 H new ATOM 0 HG12 ILE A 93 11.251 -8.330 -19.455 1.00 22.43 H new ATOM 0 HG13 ILE A 93 12.697 -7.347 -19.582 1.00 22.43 H new ATOM 0 HG21 ILE A 93 11.557 -10.436 -21.405 1.00 73.21 H new ATOM 0 HG22 ILE A 93 12.732 -11.488 -20.581 1.00 73.21 H new ATOM 0 HG23 ILE A 93 11.396 -10.756 -19.662 1.00 73.21 H new ATOM 0 HD11 ILE A 93 11.054 -6.713 -21.279 1.00 24.51 H new ATOM 0 HD12 ILE A 93 12.517 -7.377 -22.044 1.00 24.51 H new ATOM 0 HD13 ILE A 93 11.050 -8.375 -21.915 1.00 24.51 H new ATOM 1409 N VAL A 94 14.366 -11.806 -18.031 1.00 54.54 N ATOM 1410 CA VAL A 94 15.078 -13.078 -18.026 1.00 40.40 C ATOM 1411 C VAL A 94 14.112 -14.249 -18.162 1.00 70.11 C ATOM 1412 O VAL A 94 13.341 -14.540 -17.247 1.00 62.50 O ATOM 1413 CB VAL A 94 15.903 -13.254 -16.737 1.00 52.51 C ATOM 1414 CG1 VAL A 94 16.681 -14.560 -16.775 1.00 72.00 C ATOM 1415 CG2 VAL A 94 16.839 -12.071 -16.539 1.00 23.32 C ATOM 0 H VAL A 94 13.714 -11.685 -17.256 1.00 54.54 H new ATOM 0 HA VAL A 94 15.753 -13.067 -18.882 1.00 40.40 H new ATOM 0 HB VAL A 94 15.218 -13.292 -15.890 1.00 52.51 H new ATOM 0 HG11 VAL A 94 17.258 -14.667 -15.856 1.00 72.00 H new ATOM 0 HG12 VAL A 94 15.986 -15.395 -16.867 1.00 72.00 H new ATOM 0 HG13 VAL A 94 17.358 -14.556 -17.630 1.00 72.00 H new ATOM 0 HG21 VAL A 94 17.414 -12.211 -15.624 1.00 23.32 H new ATOM 0 HG22 VAL A 94 17.519 -11.999 -17.388 1.00 23.32 H new ATOM 0 HG23 VAL A 94 16.255 -11.154 -16.463 1.00 23.32 H new ATOM 1425 N ILE A 95 14.159 -14.918 -19.309 1.00 44.44 N ATOM 1426 CA ILE A 95 13.288 -16.058 -19.565 1.00 24.11 C ATOM 1427 C ILE A 95 13.976 -17.368 -19.197 1.00 63.44 C ATOM 1428 O ILE A 95 15.103 -17.629 -19.617 1.00 71.43 O ATOM 1429 CB ILE A 95 12.855 -16.116 -21.042 1.00 13.44 C ATOM 1430 CG1 ILE A 95 12.120 -14.831 -21.430 1.00 42.14 C ATOM 1431 CG2 ILE A 95 11.974 -17.331 -21.288 1.00 33.21 C ATOM 1432 CD1 ILE A 95 10.819 -14.630 -20.686 1.00 12.01 C ATOM 0 H ILE A 95 14.791 -14.690 -20.076 1.00 44.44 H new ATOM 0 HA ILE A 95 12.404 -15.926 -18.941 1.00 24.11 H new ATOM 0 HB ILE A 95 13.746 -16.206 -21.664 1.00 13.44 H new ATOM 0 HG12 ILE A 95 12.772 -13.978 -21.242 1.00 42.14 H new ATOM 0 HG13 ILE A 95 11.918 -14.847 -22.501 1.00 42.14 H new ATOM 0 HG21 ILE A 95 11.676 -17.358 -22.336 1.00 33.21 H new ATOM 0 HG22 ILE A 95 12.528 -18.238 -21.045 1.00 33.21 H new ATOM 0 HG23 ILE A 95 11.085 -17.269 -20.660 1.00 33.21 H new ATOM 0 HD11 ILE A 95 10.353 -13.700 -21.012 1.00 12.01 H new ATOM 0 HD12 ILE A 95 10.148 -15.464 -20.894 1.00 12.01 H new ATOM 0 HD13 ILE A 95 11.016 -14.581 -19.615 1.00 12.01 H new ATOM 1444 N GLY A 96 13.289 -18.191 -18.411 1.00 30.40 N ATOM 1445 CA GLY A 96 13.848 -19.466 -18.002 1.00 24.40 C ATOM 1446 C GLY A 96 15.047 -19.307 -17.088 1.00 32.24 C ATOM 1447 O GLY A 96 15.629 -18.226 -16.998 1.00 64.31 O ATOM 0 H GLY A 96 12.355 -17.997 -18.050 1.00 30.40 H new ATOM 0 HA2 GLY A 96 13.081 -20.049 -17.492 1.00 24.40 H new ATOM 0 HA3 GLY A 96 14.142 -20.031 -18.887 1.00 24.40 H new ATOM 1451 N VAL A 97 15.416 -20.386 -16.405 1.00 32.33 N ATOM 1452 CA VAL A 97 16.553 -20.362 -15.492 1.00 52.22 C ATOM 1453 C VAL A 97 17.641 -21.329 -15.944 1.00 41.02 C ATOM 1454 O VAL A 97 17.362 -22.333 -16.598 1.00 53.22 O ATOM 1455 CB VAL A 97 16.127 -20.720 -14.056 1.00 4.22 C ATOM 1456 CG1 VAL A 97 15.315 -19.590 -13.442 1.00 3.41 C ATOM 1457 CG2 VAL A 97 15.340 -22.021 -14.042 1.00 61.35 C ATOM 0 H VAL A 97 14.944 -21.288 -16.467 1.00 32.33 H new ATOM 0 HA VAL A 97 16.947 -19.346 -15.503 1.00 52.22 H new ATOM 0 HB VAL A 97 17.025 -20.859 -13.454 1.00 4.22 H new ATOM 0 HG11 VAL A 97 15.023 -19.861 -12.427 1.00 3.41 H new ATOM 0 HG12 VAL A 97 15.917 -18.682 -13.416 1.00 3.41 H new ATOM 0 HG13 VAL A 97 14.422 -19.416 -14.042 1.00 3.41 H new ATOM 0 HG21 VAL A 97 15.047 -22.258 -13.019 1.00 61.35 H new ATOM 0 HG22 VAL A 97 14.448 -21.913 -14.659 1.00 61.35 H new ATOM 0 HG23 VAL A 97 15.960 -22.825 -14.438 1.00 61.35 H new ATOM 1467 N GLY A 98 18.885 -21.020 -15.590 1.00 52.50 N ATOM 1468 CA GLY A 98 19.997 -21.871 -15.968 1.00 65.02 C ATOM 1469 C GLY A 98 21.316 -21.124 -15.995 1.00 41.04 C ATOM 1470 O GLY A 98 21.406 -19.994 -15.518 1.00 13.44 O ATOM 0 H GLY A 98 19.142 -20.195 -15.048 1.00 52.50 H new ATOM 0 HA2 GLY A 98 20.068 -22.703 -15.267 1.00 65.02 H new ATOM 0 HA3 GLY A 98 19.805 -22.299 -16.952 1.00 65.02 H new ATOM 1474 N GLU A 99 22.342 -21.758 -16.555 1.00 2.34 N ATOM 1475 CA GLU A 99 23.663 -21.146 -16.639 1.00 50.43 C ATOM 1476 C GLU A 99 23.767 -20.244 -17.866 1.00 63.44 C ATOM 1477 O GLU A 99 24.434 -19.210 -17.837 1.00 24.13 O ATOM 1478 CB GLU A 99 24.747 -22.224 -16.691 1.00 61.14 C ATOM 1479 CG GLU A 99 24.713 -23.061 -17.959 1.00 74.11 C ATOM 1480 CD GLU A 99 25.252 -24.462 -17.748 1.00 24.31 C ATOM 1481 OE1 GLU A 99 26.294 -24.601 -17.072 1.00 53.53 O ATOM 1482 OE2 GLU A 99 24.635 -25.420 -18.258 1.00 14.10 O ATOM 0 H GLU A 99 22.284 -22.694 -16.957 1.00 2.34 H new ATOM 0 HA GLU A 99 23.810 -20.536 -15.747 1.00 50.43 H new ATOM 0 HB2 GLU A 99 25.724 -21.749 -16.605 1.00 61.14 H new ATOM 0 HB3 GLU A 99 24.635 -22.881 -15.829 1.00 61.14 H new ATOM 0 HG2 GLU A 99 23.687 -23.121 -18.323 1.00 74.11 H new ATOM 0 HG3 GLU A 99 25.297 -22.564 -18.734 1.00 74.11 H new ATOM 1489 N LYS A 100 23.103 -20.645 -18.945 1.00 65.14 N ATOM 1490 CA LYS A 100 23.120 -19.876 -20.184 1.00 64.11 C ATOM 1491 C LYS A 100 21.838 -19.065 -20.338 1.00 40.42 C ATOM 1492 O LYS A 100 21.339 -18.877 -21.448 1.00 42.11 O ATOM 1493 CB LYS A 100 23.294 -20.809 -21.385 1.00 52.41 C ATOM 1494 CG LYS A 100 24.419 -21.815 -21.216 1.00 50.23 C ATOM 1495 CD LYS A 100 24.915 -22.327 -22.558 1.00 43.42 C ATOM 1496 CE LYS A 100 25.867 -23.501 -22.389 1.00 73.34 C ATOM 1497 NZ LYS A 100 27.183 -23.074 -21.840 1.00 22.22 N ATOM 0 H LYS A 100 22.546 -21.499 -18.986 1.00 65.14 H new ATOM 0 HA LYS A 100 23.963 -19.186 -20.143 1.00 64.11 H new ATOM 0 HB2 LYS A 100 22.361 -21.346 -21.556 1.00 52.41 H new ATOM 0 HB3 LYS A 100 23.485 -20.210 -22.275 1.00 52.41 H new ATOM 0 HG2 LYS A 100 25.244 -21.352 -20.675 1.00 50.23 H new ATOM 0 HG3 LYS A 100 24.071 -22.653 -20.612 1.00 50.23 H new ATOM 0 HD2 LYS A 100 24.065 -22.631 -23.169 1.00 43.42 H new ATOM 0 HD3 LYS A 100 25.420 -21.522 -23.092 1.00 43.42 H new ATOM 0 HE2 LYS A 100 25.419 -24.239 -21.724 1.00 73.34 H new ATOM 0 HE3 LYS A 100 26.016 -23.989 -23.352 1.00 73.34 H new ATOM 0 HZ1 LYS A 100 27.803 -23.903 -21.740 1.00 22.22 H new ATOM 0 HZ2 LYS A 100 27.623 -22.389 -22.487 1.00 22.22 H new ATOM 0 HZ3 LYS A 100 27.044 -22.631 -20.909 1.00 22.22 H new ATOM 1511 N LYS A 101 21.309 -18.584 -19.218 1.00 43.10 N ATOM 1512 CA LYS A 101 20.087 -17.790 -19.228 1.00 15.41 C ATOM 1513 C LYS A 101 20.179 -16.662 -20.251 1.00 13.33 C ATOM 1514 O LYS A 101 21.268 -16.311 -20.705 1.00 61.22 O ATOM 1515 CB LYS A 101 19.819 -17.210 -17.837 1.00 31.41 C ATOM 1516 CG LYS A 101 19.170 -18.197 -16.882 1.00 31.12 C ATOM 1517 CD LYS A 101 19.061 -17.625 -15.478 1.00 74.04 C ATOM 1518 CE LYS A 101 20.432 -17.344 -14.883 1.00 15.23 C ATOM 1519 NZ LYS A 101 20.619 -15.897 -14.582 1.00 24.52 N ATOM 0 H LYS A 101 21.708 -18.731 -18.291 1.00 43.10 H new ATOM 0 HA LYS A 101 19.261 -18.444 -19.508 1.00 15.41 H new ATOM 0 HB2 LYS A 101 20.760 -16.867 -17.408 1.00 31.41 H new ATOM 0 HB3 LYS A 101 19.176 -16.335 -17.935 1.00 31.41 H new ATOM 0 HG2 LYS A 101 18.177 -18.459 -17.247 1.00 31.12 H new ATOM 0 HG3 LYS A 101 19.753 -19.117 -16.857 1.00 31.12 H new ATOM 0 HD2 LYS A 101 18.478 -16.704 -15.503 1.00 74.04 H new ATOM 0 HD3 LYS A 101 18.523 -18.325 -14.839 1.00 74.04 H new ATOM 0 HE2 LYS A 101 20.557 -17.924 -13.969 1.00 15.23 H new ATOM 0 HE3 LYS A 101 21.204 -17.673 -15.578 1.00 15.23 H new ATOM 0 HZ1 LYS A 101 21.565 -15.746 -14.178 1.00 24.52 H new ATOM 0 HZ2 LYS A 101 20.525 -15.345 -15.458 1.00 24.52 H new ATOM 0 HZ3 LYS A 101 19.898 -15.588 -13.899 1.00 24.52 H new ATOM 1533 N ILE A 102 19.030 -16.097 -20.607 1.00 11.00 N ATOM 1534 CA ILE A 102 18.982 -15.008 -21.574 1.00 45.51 C ATOM 1535 C ILE A 102 18.512 -13.712 -20.921 1.00 23.43 C ATOM 1536 O ILE A 102 17.601 -13.717 -20.092 1.00 4.51 O ATOM 1537 CB ILE A 102 18.050 -15.342 -22.754 1.00 24.13 C ATOM 1538 CG1 ILE A 102 16.598 -15.417 -22.279 1.00 32.12 C ATOM 1539 CG2 ILE A 102 18.469 -16.652 -23.404 1.00 50.05 C ATOM 1540 CD1 ILE A 102 15.616 -15.731 -23.386 1.00 32.23 C ATOM 0 H ILE A 102 18.120 -16.376 -20.240 1.00 11.00 H new ATOM 0 HA ILE A 102 19.997 -14.876 -21.949 1.00 45.51 H new ATOM 0 HB ILE A 102 18.129 -14.549 -23.497 1.00 24.13 H new ATOM 0 HG12 ILE A 102 16.516 -16.180 -21.505 1.00 32.12 H new ATOM 0 HG13 ILE A 102 16.325 -14.467 -21.820 1.00 32.12 H new ATOM 0 HG21 ILE A 102 17.801 -16.875 -24.236 1.00 50.05 H new ATOM 0 HG22 ILE A 102 19.491 -16.565 -23.772 1.00 50.05 H new ATOM 0 HG23 ILE A 102 18.415 -17.456 -22.670 1.00 50.05 H new ATOM 0 HD11 ILE A 102 14.606 -15.769 -22.977 1.00 32.23 H new ATOM 0 HD12 ILE A 102 15.669 -14.956 -24.150 1.00 32.23 H new ATOM 0 HD13 ILE A 102 15.864 -16.695 -23.830 1.00 32.23 H new ATOM 1552 N THR A 103 19.139 -12.603 -21.301 1.00 15.14 N ATOM 1553 CA THR A 103 18.786 -11.300 -20.751 1.00 54.14 C ATOM 1554 C THR A 103 18.357 -10.337 -21.853 1.00 10.14 C ATOM 1555 O THR A 103 18.594 -10.585 -23.035 1.00 73.33 O ATOM 1556 CB THR A 103 19.962 -10.681 -19.973 1.00 50.01 C ATOM 1557 OG1 THR A 103 21.153 -11.444 -20.197 1.00 40.53 O ATOM 1558 CG2 THR A 103 19.659 -10.631 -18.483 1.00 74.12 C ATOM 0 H THR A 103 19.893 -12.581 -21.987 1.00 15.14 H new ATOM 0 HA THR A 103 17.953 -11.461 -20.067 1.00 54.14 H new ATOM 0 HB THR A 103 20.110 -9.662 -20.332 1.00 50.01 H new ATOM 0 HG1 THR A 103 21.897 -11.043 -19.700 1.00 40.53 H new ATOM 0 HG21 THR A 103 20.504 -10.190 -17.954 1.00 74.12 H new ATOM 0 HG22 THR A 103 18.769 -10.026 -18.313 1.00 74.12 H new ATOM 0 HG23 THR A 103 19.487 -11.642 -18.113 1.00 74.12 H new ATOM 1566 N HIS A 104 17.725 -9.236 -21.457 1.00 65.10 N ATOM 1567 CA HIS A 104 17.265 -8.234 -22.412 1.00 31.13 C ATOM 1568 C HIS A 104 16.921 -6.927 -21.704 1.00 10.01 C ATOM 1569 O HIS A 104 16.008 -6.877 -20.879 1.00 74.23 O ATOM 1570 CB HIS A 104 16.045 -8.750 -23.176 1.00 43.11 C ATOM 1571 CG HIS A 104 15.898 -8.153 -24.542 1.00 21.21 C ATOM 1572 ND1 HIS A 104 16.572 -8.628 -25.647 1.00 44.32 N ATOM 1573 CD2 HIS A 104 15.147 -7.115 -24.978 1.00 74.54 C ATOM 1574 CE1 HIS A 104 16.243 -7.907 -26.704 1.00 5.50 C ATOM 1575 NE2 HIS A 104 15.379 -6.982 -26.325 1.00 61.42 N ATOM 0 H HIS A 104 17.520 -9.016 -20.482 1.00 65.10 H new ATOM 0 HA HIS A 104 18.073 -8.043 -23.118 1.00 31.13 H new ATOM 0 HB2 HIS A 104 16.116 -9.834 -23.268 1.00 43.11 H new ATOM 0 HB3 HIS A 104 15.147 -8.537 -22.597 1.00 43.11 H new ATOM 0 HD1 HIS A 104 17.223 -9.413 -25.648 1.00 44.32 H new ATOM 0 HD2 HIS A 104 14.488 -6.505 -24.378 1.00 74.54 H new ATOM 0 HE1 HIS A 104 16.617 -8.049 -27.707 1.00 5.50 H new ATOM 1583 N HIS A 105 17.659 -5.871 -22.031 1.00 13.43 N ATOM 1584 CA HIS A 105 17.432 -4.563 -21.426 1.00 0.04 C ATOM 1585 C HIS A 105 16.101 -3.975 -21.885 1.00 21.22 C ATOM 1586 O HIS A 105 15.794 -3.967 -23.077 1.00 11.32 O ATOM 1587 CB HIS A 105 18.573 -3.609 -21.779 1.00 63.03 C ATOM 1588 CG HIS A 105 18.615 -3.237 -23.230 1.00 23.15 C ATOM 1589 ND1 HIS A 105 18.067 -2.072 -23.724 1.00 23.31 N ATOM 1590 CD2 HIS A 105 19.146 -3.883 -24.294 1.00 50.11 C ATOM 1591 CE1 HIS A 105 18.258 -2.019 -25.030 1.00 55.41 C ATOM 1592 NE2 HIS A 105 18.910 -3.105 -25.401 1.00 63.21 N ATOM 0 H HIS A 105 18.419 -5.895 -22.711 1.00 13.43 H new ATOM 0 HA HIS A 105 17.398 -4.692 -20.344 1.00 0.04 H new ATOM 0 HB2 HIS A 105 18.475 -2.702 -21.182 1.00 63.03 H new ATOM 0 HB3 HIS A 105 19.521 -4.071 -21.503 1.00 63.03 H new ATOM 0 HD2 HIS A 105 19.659 -4.833 -24.276 1.00 50.11 H new ATOM 0 HE1 HIS A 105 17.935 -1.222 -25.684 1.00 55.41 H new ATOM 0 HE2 HIS A 105 19.193 -3.330 -26.355 1.00 63.21 H new ATOM 1600 N TRP A 106 15.316 -3.486 -20.932 1.00 20.01 N ATOM 1601 CA TRP A 106 14.017 -2.899 -21.239 1.00 14.00 C ATOM 1602 C TRP A 106 13.816 -1.593 -20.478 1.00 72.01 C ATOM 1603 O TRP A 106 13.638 -1.594 -19.259 1.00 63.25 O ATOM 1604 CB TRP A 106 12.896 -3.882 -20.895 1.00 10.51 C ATOM 1605 CG TRP A 106 11.525 -3.290 -21.030 1.00 24.24 C ATOM 1606 CD1 TRP A 106 10.535 -3.295 -20.090 1.00 34.33 C ATOM 1607 CD2 TRP A 106 10.994 -2.609 -22.171 1.00 44.15 C ATOM 1608 NE1 TRP A 106 9.420 -2.658 -20.579 1.00 34.24 N ATOM 1609 CE2 TRP A 106 9.676 -2.227 -21.853 1.00 63.22 C ATOM 1610 CE3 TRP A 106 11.505 -2.282 -23.431 1.00 34.23 C ATOM 1611 CZ2 TRP A 106 8.864 -1.538 -22.750 1.00 4.54 C ATOM 1612 CZ3 TRP A 106 10.697 -1.598 -24.319 1.00 44.04 C ATOM 1613 CH2 TRP A 106 9.390 -1.231 -23.975 1.00 54.25 C ATOM 0 H TRP A 106 15.556 -3.484 -19.941 1.00 20.01 H new ATOM 0 HA TRP A 106 13.987 -2.684 -22.307 1.00 14.00 H new ATOM 0 HB2 TRP A 106 12.974 -4.753 -21.546 1.00 10.51 H new ATOM 0 HB3 TRP A 106 13.033 -4.235 -19.873 1.00 10.51 H new ATOM 0 HD1 TRP A 106 10.616 -3.735 -19.107 1.00 34.33 H new ATOM 0 HE1 TRP A 106 8.543 -2.527 -20.074 1.00 34.24 H new ATOM 0 HE3 TRP A 106 12.512 -2.559 -23.705 1.00 34.23 H new ATOM 0 HZ2 TRP A 106 7.855 -1.256 -22.488 1.00 4.54 H new ATOM 0 HZ3 TRP A 106 11.080 -1.342 -25.296 1.00 44.04 H new ATOM 0 HH2 TRP A 106 8.785 -0.695 -24.691 1.00 54.25 H new ATOM 1624 N HIS A 107 13.845 -0.480 -21.204 1.00 13.31 N ATOM 1625 CA HIS A 107 13.664 0.834 -20.596 1.00 61.12 C ATOM 1626 C HIS A 107 12.303 1.419 -20.961 1.00 43.15 C ATOM 1627 O HIS A 107 11.800 1.204 -22.064 1.00 60.42 O ATOM 1628 CB HIS A 107 14.777 1.783 -21.042 1.00 72.14 C ATOM 1629 CG HIS A 107 14.985 1.806 -22.525 1.00 45.03 C ATOM 1630 ND1 HIS A 107 16.050 1.186 -23.145 1.00 74.13 N ATOM 1631 CD2 HIS A 107 14.258 2.378 -23.513 1.00 13.01 C ATOM 1632 CE1 HIS A 107 15.968 1.377 -24.450 1.00 24.10 C ATOM 1633 NE2 HIS A 107 14.890 2.097 -24.699 1.00 54.03 N ATOM 0 H HIS A 107 13.992 -0.461 -22.213 1.00 13.31 H new ATOM 0 HA HIS A 107 13.710 0.716 -19.513 1.00 61.12 H new ATOM 0 HB2 HIS A 107 14.542 2.791 -20.700 1.00 72.14 H new ATOM 0 HB3 HIS A 107 15.708 1.491 -20.557 1.00 72.14 H new ATOM 0 HD2 HIS A 107 13.350 2.949 -23.391 1.00 13.01 H new ATOM 0 HE1 HIS A 107 16.665 1.007 -25.188 1.00 24.10 H new ATOM 0 HE2 HIS A 107 14.577 2.396 -25.623 1.00 54.03 H new ATOM 1641 N ARG A 108 11.713 2.159 -20.029 1.00 0.14 N ATOM 1642 CA ARG A 108 10.410 2.773 -20.252 1.00 34.12 C ATOM 1643 C ARG A 108 10.428 4.246 -19.856 1.00 14.40 C ATOM 1644 O ARG A 108 10.469 4.581 -18.672 1.00 54.01 O ATOM 1645 CB ARG A 108 9.331 2.034 -19.458 1.00 23.45 C ATOM 1646 CG ARG A 108 7.953 2.099 -20.095 1.00 11.34 C ATOM 1647 CD ARG A 108 7.229 3.384 -19.725 1.00 11.52 C ATOM 1648 NE ARG A 108 5.867 3.417 -20.252 1.00 22.44 N ATOM 1649 CZ ARG A 108 5.064 4.470 -20.150 1.00 5.13 C ATOM 1650 NH1 ARG A 108 5.485 5.572 -19.544 1.00 41.13 N ATOM 1651 NH2 ARG A 108 3.838 4.423 -20.655 1.00 23.35 N ATOM 0 H ARG A 108 12.117 2.348 -19.112 1.00 0.14 H new ATOM 0 HA ARG A 108 10.181 2.703 -21.315 1.00 34.12 H new ATOM 0 HB2 ARG A 108 9.623 0.989 -19.350 1.00 23.45 H new ATOM 0 HB3 ARG A 108 9.278 2.456 -18.454 1.00 23.45 H new ATOM 0 HG2 ARG A 108 8.048 2.033 -21.179 1.00 11.34 H new ATOM 0 HG3 ARG A 108 7.362 1.241 -19.774 1.00 11.34 H new ATOM 0 HD2 ARG A 108 7.200 3.484 -18.640 1.00 11.52 H new ATOM 0 HD3 ARG A 108 7.787 4.238 -20.109 1.00 11.52 H new ATOM 0 HE ARG A 108 5.513 2.585 -20.725 1.00 22.44 H new ATOM 0 HH11 ARG A 108 6.427 5.612 -19.155 1.00 41.13 H new ATOM 0 HH12 ARG A 108 4.867 6.380 -19.467 1.00 41.13 H new ATOM 0 HH21 ARG A 108 3.511 3.577 -21.122 1.00 23.35 H new ATOM 0 HH22 ARG A 108 3.222 5.232 -20.576 1.00 23.35 H new