USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0.21) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -116:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 19 THR OG1 : rot -36:sc= 0.197 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 USER MOD Single : A 29 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.34) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : A 51 MET CE :methyl -104:sc= -2.22 (180deg=-5.9!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.24) USER MOD Single : A 57 THR OG1 : rot -65:sc= -0.0511 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 66 THR OG1 : rot 130:sc= -0.574 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.2!) USER MOD Single : A 78 SER OG : rot 110:sc= -0.702 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -165:sc= 0 (180deg=-0.176) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : 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+ -166:sc= -0.021 (180deg=-0.215) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 107 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.467 -25.065 -21.919 1.00 11.41 N ATOM 257 CA ALA A 17 17.092 -23.870 -22.472 1.00 42.30 C ATOM 258 C ALA A 17 16.045 -22.902 -23.013 1.00 71.30 C ATOM 259 O ALA A 17 15.020 -23.319 -23.552 1.00 72.54 O ATOM 260 CB ALA A 17 18.079 -24.249 -23.567 1.00 13.24 C ATOM 0 HA ALA A 17 17.632 -23.368 -21.669 1.00 42.30 H new ATOM 0 HB1 ALA A 17 18.538 -23.347 -23.971 1.00 13.24 H new ATOM 0 HB2 ALA A 17 18.852 -24.895 -23.152 1.00 13.24 H new ATOM 0 HB3 ALA A 17 17.554 -24.777 -24.363 1.00 13.24 H new ATOM 266 N PHE A 18 16.309 -21.608 -22.865 1.00 32.42 N ATOM 267 CA PHE A 18 15.388 -20.581 -23.337 1.00 72.35 C ATOM 268 C PHE A 18 16.140 -19.465 -24.056 1.00 2.01 C ATOM 269 O PHE A 18 17.323 -19.234 -23.802 1.00 40.14 O ATOM 270 CB PHE A 18 14.591 -20.003 -22.166 1.00 52.14 C ATOM 271 CG PHE A 18 13.741 -21.020 -21.459 1.00 52.34 C ATOM 272 CD1 PHE A 18 14.302 -21.893 -20.542 1.00 35.32 C ATOM 273 CD2 PHE A 18 12.381 -21.102 -21.713 1.00 61.11 C ATOM 274 CE1 PHE A 18 13.522 -22.830 -19.889 1.00 42.13 C ATOM 275 CE2 PHE A 18 11.597 -22.036 -21.063 1.00 72.33 C ATOM 276 CZ PHE A 18 12.168 -22.902 -20.151 1.00 61.12 C ATOM 0 H PHE A 18 17.153 -21.246 -22.422 1.00 32.42 H new ATOM 0 HA PHE A 18 14.698 -21.044 -24.043 1.00 72.35 H new ATOM 0 HB2 PHE A 18 15.283 -19.559 -21.450 1.00 52.14 H new ATOM 0 HB3 PHE A 18 13.952 -19.200 -22.533 1.00 52.14 H new ATOM 0 HD1 PHE A 18 15.361 -21.842 -20.334 1.00 35.32 H new ATOM 0 HD2 PHE A 18 11.929 -20.429 -22.426 1.00 61.11 H new ATOM 0 HE1 PHE A 18 13.971 -23.505 -19.175 1.00 42.13 H new ATOM 0 HE2 PHE A 18 10.538 -22.089 -21.268 1.00 72.33 H new ATOM 0 HZ PHE A 18 11.557 -23.634 -19.644 1.00 61.12 H new ATOM 286 N THR A 19 15.446 -18.775 -24.955 1.00 53.41 N ATOM 287 CA THR A 19 16.047 -17.684 -25.712 1.00 70.35 C ATOM 288 C THR A 19 14.979 -16.782 -26.319 1.00 12.40 C ATOM 289 O THR A 19 13.898 -17.242 -26.686 1.00 71.45 O ATOM 290 CB THR A 19 16.954 -18.216 -26.839 1.00 12.34 C ATOM 291 OG1 THR A 19 17.708 -19.340 -26.371 1.00 54.22 O ATOM 292 CG2 THR A 19 17.902 -17.131 -27.327 1.00 54.14 C ATOM 0 H THR A 19 14.466 -18.952 -25.177 1.00 53.41 H new ATOM 0 HA THR A 19 16.650 -17.107 -25.011 1.00 70.35 H new ATOM 0 HB THR A 19 16.321 -18.525 -27.671 1.00 12.34 H new ATOM 0 HG1 THR A 19 17.960 -19.198 -25.435 1.00 54.22 H new ATOM 0 HG21 THR A 19 18.532 -17.529 -28.122 1.00 54.14 H new ATOM 0 HG22 THR A 19 17.325 -16.289 -27.709 1.00 54.14 H new ATOM 0 HG23 THR A 19 18.529 -16.797 -26.500 1.00 54.14 H new ATOM 300 N PHE A 20 15.288 -15.493 -26.422 1.00 21.33 N ATOM 301 CA PHE A 20 14.354 -14.525 -26.984 1.00 71.34 C ATOM 302 C PHE A 20 14.230 -14.704 -28.495 1.00 0.52 C ATOM 303 O PHE A 20 15.229 -14.856 -29.198 1.00 43.23 O ATOM 304 CB PHE A 20 14.808 -13.100 -26.663 1.00 43.13 C ATOM 305 CG PHE A 20 14.786 -12.780 -25.196 1.00 42.10 C ATOM 306 CD1 PHE A 20 13.594 -12.786 -24.490 1.00 40.11 C ATOM 307 CD2 PHE A 20 15.958 -12.473 -24.523 1.00 14.42 C ATOM 308 CE1 PHE A 20 13.570 -12.492 -23.140 1.00 21.24 C ATOM 309 CE2 PHE A 20 15.940 -12.179 -23.172 1.00 51.45 C ATOM 310 CZ PHE A 20 14.745 -12.187 -22.480 1.00 73.13 C ATOM 0 H PHE A 20 16.178 -15.095 -26.123 1.00 21.33 H new ATOM 0 HA PHE A 20 13.376 -14.697 -26.534 1.00 71.34 H new ATOM 0 HB2 PHE A 20 15.819 -12.955 -27.043 1.00 43.13 H new ATOM 0 HB3 PHE A 20 14.165 -12.395 -27.190 1.00 43.13 H new ATOM 0 HD1 PHE A 20 12.673 -13.023 -25.001 1.00 40.11 H new ATOM 0 HD2 PHE A 20 16.895 -12.463 -25.059 1.00 14.42 H new ATOM 0 HE1 PHE A 20 12.634 -12.501 -22.601 1.00 21.24 H new ATOM 0 HE2 PHE A 20 16.860 -11.943 -22.658 1.00 51.45 H new ATOM 0 HZ PHE A 20 14.729 -11.955 -21.425 1.00 73.13 H new ATOM 320 N THR A 21 12.995 -14.684 -28.988 1.00 25.12 N ATOM 321 CA THR A 21 12.739 -14.843 -30.414 1.00 23.34 C ATOM 322 C THR A 21 12.031 -13.620 -30.985 1.00 34.52 C ATOM 323 O THR A 21 12.248 -13.246 -32.137 1.00 54.14 O ATOM 324 CB THR A 21 11.886 -16.095 -30.695 1.00 4.21 C ATOM 325 OG1 THR A 21 11.418 -16.074 -32.048 1.00 30.51 O ATOM 326 CG2 THR A 21 10.701 -16.167 -29.744 1.00 25.13 C ATOM 0 H THR A 21 12.157 -14.559 -28.420 1.00 25.12 H new ATOM 0 HA THR A 21 13.709 -14.957 -30.899 1.00 23.34 H new ATOM 0 HB THR A 21 12.510 -16.975 -30.540 1.00 4.21 H new ATOM 0 HG1 THR A 21 10.878 -16.874 -32.220 1.00 30.51 H new ATOM 0 HG21 THR A 21 10.114 -17.059 -29.962 1.00 25.13 H new ATOM 0 HG22 THR A 21 11.061 -16.212 -28.716 1.00 25.13 H new ATOM 0 HG23 THR A 21 10.078 -15.282 -29.872 1.00 25.13 H new ATOM 334 N LYS A 22 11.182 -13.000 -30.171 1.00 64.44 N ATOM 335 CA LYS A 22 10.443 -11.817 -30.594 1.00 3.41 C ATOM 336 C LYS A 22 10.791 -10.617 -29.718 1.00 34.10 C ATOM 337 O LYS A 22 10.343 -10.522 -28.575 1.00 2.43 O ATOM 338 CB LYS A 22 8.937 -12.083 -30.538 1.00 64.41 C ATOM 339 CG LYS A 22 8.131 -11.218 -31.491 1.00 32.22 C ATOM 340 CD LYS A 22 6.823 -11.887 -31.880 1.00 62.12 C ATOM 341 CE LYS A 22 6.987 -12.752 -33.121 1.00 2.32 C ATOM 342 NZ LYS A 22 6.929 -11.945 -34.371 1.00 12.31 N ATOM 0 H LYS A 22 10.989 -13.298 -29.215 1.00 64.44 H new ATOM 0 HA LYS A 22 10.727 -11.590 -31.622 1.00 3.41 H new ATOM 0 HB2 LYS A 22 8.753 -13.132 -30.769 1.00 64.41 H new ATOM 0 HB3 LYS A 22 8.584 -11.914 -29.521 1.00 64.41 H new ATOM 0 HG2 LYS A 22 7.924 -10.256 -31.023 1.00 32.22 H new ATOM 0 HG3 LYS A 22 8.719 -11.017 -32.387 1.00 32.22 H new ATOM 0 HD2 LYS A 22 6.466 -12.500 -31.052 1.00 62.12 H new ATOM 0 HD3 LYS A 22 6.064 -11.126 -32.063 1.00 62.12 H new ATOM 0 HE2 LYS A 22 7.940 -13.279 -33.073 1.00 2.32 H new ATOM 0 HE3 LYS A 22 6.204 -13.510 -33.141 1.00 2.32 H new ATOM 0 HZ1 LYS A 22 7.045 -12.571 -35.194 1.00 12.31 H new ATOM 0 HZ2 LYS A 22 6.010 -11.462 -34.430 1.00 12.31 H new ATOM 0 HZ3 LYS A 22 7.692 -11.238 -34.364 1.00 12.31 H new ATOM 356 N ILE A 23 11.589 -9.704 -30.262 1.00 34.52 N ATOM 357 CA ILE A 23 11.992 -8.510 -29.530 1.00 62.12 C ATOM 358 C ILE A 23 10.778 -7.740 -29.022 1.00 40.14 C ATOM 359 O ILE A 23 9.816 -7.497 -29.752 1.00 22.23 O ATOM 360 CB ILE A 23 12.849 -7.576 -30.406 1.00 30.54 C ATOM 361 CG1 ILE A 23 14.066 -8.327 -30.950 1.00 4.33 C ATOM 362 CG2 ILE A 23 13.285 -6.356 -29.609 1.00 12.21 C ATOM 363 CD1 ILE A 23 14.948 -7.481 -31.842 1.00 73.45 C ATOM 0 H ILE A 23 11.969 -9.769 -31.206 1.00 34.52 H new ATOM 0 HA ILE A 23 12.587 -8.846 -28.681 1.00 62.12 H new ATOM 0 HB ILE A 23 12.247 -7.238 -31.250 1.00 30.54 H new ATOM 0 HG12 ILE A 23 14.658 -8.698 -30.113 1.00 4.33 H new ATOM 0 HG13 ILE A 23 13.725 -9.198 -31.510 1.00 4.33 H new ATOM 0 HG21 ILE A 23 13.890 -5.706 -30.241 1.00 12.21 H new ATOM 0 HG22 ILE A 23 12.405 -5.812 -29.265 1.00 12.21 H new ATOM 0 HG23 ILE A 23 13.873 -6.675 -28.749 1.00 12.21 H new ATOM 0 HD11 ILE A 23 15.791 -8.077 -32.191 1.00 73.45 H new ATOM 0 HD12 ILE A 23 14.371 -7.132 -32.698 1.00 73.45 H new ATOM 0 HD13 ILE A 23 15.318 -6.624 -31.280 1.00 73.45 H new ATOM 375 N PRO A 24 10.822 -7.344 -27.742 1.00 11.23 N ATOM 376 CA PRO A 24 9.735 -6.592 -27.108 1.00 52.30 C ATOM 377 C PRO A 24 9.624 -5.169 -27.646 1.00 75.33 C ATOM 378 O PRO A 24 10.570 -4.640 -28.227 1.00 43.32 O ATOM 379 CB PRO A 24 10.130 -6.574 -25.629 1.00 63.44 C ATOM 380 CG PRO A 24 11.612 -6.728 -25.632 1.00 2.12 C ATOM 381 CD PRO A 24 11.936 -7.599 -26.814 1.00 23.34 C ATOM 0 HA PRO A 24 8.762 -7.045 -27.298 1.00 52.30 H new ATOM 0 HB2 PRO A 24 9.830 -5.642 -25.150 1.00 63.44 H new ATOM 0 HB3 PRO A 24 9.649 -7.384 -25.081 1.00 63.44 H new ATOM 0 HG2 PRO A 24 12.105 -5.759 -25.715 1.00 2.12 H new ATOM 0 HG3 PRO A 24 11.959 -7.184 -24.705 1.00 2.12 H new ATOM 0 HD2 PRO A 24 12.896 -7.334 -27.257 1.00 23.34 H new ATOM 0 HD3 PRO A 24 11.993 -8.651 -26.534 1.00 23.34 H new ATOM 389 N ALA A 25 8.461 -4.556 -27.449 1.00 21.12 N ATOM 390 CA ALA A 25 8.227 -3.194 -27.913 1.00 24.14 C ATOM 391 C ALA A 25 6.835 -2.712 -27.520 1.00 51.05 C ATOM 392 O ALA A 25 5.838 -3.379 -27.795 1.00 12.24 O ATOM 393 CB ALA A 25 8.412 -3.111 -29.421 1.00 35.33 C ATOM 0 H ALA A 25 7.666 -4.981 -26.971 1.00 21.12 H new ATOM 0 HA ALA A 25 8.957 -2.542 -27.433 1.00 24.14 H new ATOM 0 HB1 ALA A 25 8.234 -2.088 -29.754 1.00 35.33 H new ATOM 0 HB2 ALA A 25 9.429 -3.405 -29.679 1.00 35.33 H new ATOM 0 HB3 ALA A 25 7.705 -3.780 -29.912 1.00 35.33 H new ATOM 399 N GLU A 26 6.775 -1.550 -26.877 1.00 63.21 N ATOM 400 CA GLU A 26 5.504 -0.981 -26.447 1.00 12.44 C ATOM 401 C GLU A 26 4.699 -0.481 -27.643 1.00 34.12 C ATOM 402 O GLU A 26 5.261 -0.117 -28.676 1.00 55.24 O ATOM 403 CB GLU A 26 5.741 0.167 -25.463 1.00 32.15 C ATOM 404 CG GLU A 26 4.620 0.343 -24.451 1.00 64.34 C ATOM 405 CD GLU A 26 4.766 1.611 -23.633 1.00 44.24 C ATOM 406 OE1 GLU A 26 4.956 2.687 -24.238 1.00 5.51 O ATOM 407 OE2 GLU A 26 4.691 1.528 -22.390 1.00 21.11 O ATOM 0 H GLU A 26 7.591 -0.985 -26.643 1.00 63.21 H new ATOM 0 HA GLU A 26 4.934 -1.766 -25.949 1.00 12.44 H new ATOM 0 HB2 GLU A 26 6.676 -0.009 -24.930 1.00 32.15 H new ATOM 0 HB3 GLU A 26 5.863 1.095 -26.022 1.00 32.15 H new ATOM 0 HG2 GLU A 26 3.663 0.360 -24.973 1.00 64.34 H new ATOM 0 HG3 GLU A 26 4.602 -0.517 -23.781 1.00 64.34 H new ATOM 414 N THR A 27 3.377 -0.468 -27.495 1.00 44.54 N ATOM 415 CA THR A 27 2.494 -0.014 -28.562 1.00 10.20 C ATOM 416 C THR A 27 1.630 1.155 -28.101 1.00 25.21 C ATOM 417 O THR A 27 1.815 1.681 -27.003 1.00 3.32 O ATOM 418 CB THR A 27 1.579 -1.150 -29.055 1.00 73.41 C ATOM 419 OG1 THR A 27 0.627 -1.488 -28.040 1.00 21.41 O ATOM 420 CG2 THR A 27 2.394 -2.381 -29.423 1.00 2.22 C ATOM 0 H THR A 27 2.895 -0.767 -26.647 1.00 44.54 H new ATOM 0 HA THR A 27 3.132 0.311 -29.383 1.00 10.20 H new ATOM 0 HB THR A 27 1.053 -0.803 -29.944 1.00 73.41 H new ATOM 0 HG1 THR A 27 0.048 -2.210 -28.362 1.00 21.41 H new ATOM 0 HG21 THR A 27 1.726 -3.170 -29.768 1.00 2.22 H new ATOM 0 HG22 THR A 27 3.097 -2.128 -30.216 1.00 2.22 H new ATOM 0 HG23 THR A 27 2.944 -2.728 -28.548 1.00 2.22 H new ATOM 428 N LEU A 28 0.687 1.556 -28.945 1.00 53.12 N ATOM 429 CA LEU A 28 -0.207 2.663 -28.624 1.00 13.05 C ATOM 430 C LEU A 28 -0.904 2.429 -27.287 1.00 54.21 C ATOM 431 O LEU A 28 -1.185 3.373 -26.548 1.00 11.32 O ATOM 432 CB LEU A 28 -1.248 2.842 -29.730 1.00 72.01 C ATOM 433 CG LEU A 28 -0.845 3.753 -30.890 1.00 64.32 C ATOM 434 CD1 LEU A 28 -0.557 5.159 -30.389 1.00 42.52 C ATOM 435 CD2 LEU A 28 0.366 3.186 -31.617 1.00 73.55 C ATOM 0 H LEU A 28 0.521 1.131 -29.857 1.00 53.12 H new ATOM 0 HA LEU A 28 0.392 3.571 -28.548 1.00 13.05 H new ATOM 0 HB2 LEU A 28 -1.492 1.860 -30.134 1.00 72.01 H new ATOM 0 HB3 LEU A 28 -2.160 3.238 -29.283 1.00 72.01 H new ATOM 0 HG LEU A 28 -1.676 3.803 -31.593 1.00 64.32 H new ATOM 0 HD11 LEU A 28 -0.272 5.793 -31.228 1.00 42.52 H new ATOM 0 HD12 LEU A 28 -1.450 5.566 -29.914 1.00 42.52 H new ATOM 0 HD13 LEU A 28 0.257 5.128 -29.665 1.00 42.52 H new ATOM 0 HD21 LEU A 28 0.639 3.847 -32.440 1.00 73.55 H new ATOM 0 HD22 LEU A 28 1.203 3.106 -30.923 1.00 73.55 H new ATOM 0 HD23 LEU A 28 0.125 2.198 -32.010 1.00 73.55 H new ATOM 447 N HIS A 29 -1.179 1.165 -26.982 1.00 74.01 N ATOM 448 CA HIS A 29 -1.842 0.807 -25.733 1.00 60.40 C ATOM 449 C HIS A 29 -0.919 1.042 -24.541 1.00 62.03 C ATOM 450 O HIS A 29 -1.377 1.318 -23.434 1.00 1.35 O ATOM 451 CB HIS A 29 -2.286 -0.656 -25.768 1.00 60.00 C ATOM 452 CG HIS A 29 -3.509 -0.930 -24.949 1.00 32.44 C ATOM 453 ND1 HIS A 29 -4.653 -0.164 -25.024 1.00 1.25 N ATOM 454 CD2 HIS A 29 -3.764 -1.895 -24.034 1.00 71.32 C ATOM 455 CE1 HIS A 29 -5.558 -0.644 -24.189 1.00 63.14 C ATOM 456 NE2 HIS A 29 -5.044 -1.695 -23.577 1.00 65.41 N ATOM 0 H HIS A 29 -0.953 0.372 -27.582 1.00 74.01 H new ATOM 0 HA HIS A 29 -2.720 1.443 -25.621 1.00 60.40 H new ATOM 0 HB2 HIS A 29 -2.479 -0.944 -26.801 1.00 60.00 H new ATOM 0 HB3 HIS A 29 -1.470 -1.283 -25.409 1.00 60.00 H new ATOM 0 HD2 HIS A 29 -3.087 -2.676 -23.722 1.00 71.32 H new ATOM 0 HE1 HIS A 29 -6.549 -0.245 -24.034 1.00 63.14 H new ATOM 0 HE2 HIS A 29 -5.520 -2.266 -22.878 1.00 65.41 H new ATOM 464 N GLY A 30 0.385 0.930 -24.777 1.00 70.53 N ATOM 465 CA GLY A 30 1.352 1.134 -23.714 1.00 74.33 C ATOM 466 C GLY A 30 1.706 -0.154 -22.998 1.00 23.20 C ATOM 467 O GLY A 30 1.980 -0.151 -21.797 1.00 72.42 O ATOM 0 H GLY A 30 0.789 0.702 -25.685 1.00 70.53 H new ATOM 0 HA2 GLY A 30 2.257 1.575 -24.130 1.00 74.33 H new ATOM 0 HA3 GLY A 30 0.951 1.848 -22.994 1.00 74.33 H new ATOM 471 N THR A 31 1.701 -1.261 -23.735 1.00 54.31 N ATOM 472 CA THR A 31 2.020 -2.562 -23.162 1.00 61.24 C ATOM 473 C THR A 31 3.112 -3.262 -23.964 1.00 32.35 C ATOM 474 O THR A 31 3.178 -3.134 -25.186 1.00 73.22 O ATOM 475 CB THR A 31 0.778 -3.471 -23.106 1.00 32.15 C ATOM 476 OG1 THR A 31 0.221 -3.623 -24.416 1.00 42.41 O ATOM 477 CG2 THR A 31 -0.272 -2.895 -22.167 1.00 24.22 C ATOM 0 H THR A 31 1.479 -1.282 -24.730 1.00 54.31 H new ATOM 0 HA THR A 31 2.376 -2.382 -22.147 1.00 61.24 H new ATOM 0 HB THR A 31 1.086 -4.446 -22.728 1.00 32.15 H new ATOM 0 HG1 THR A 31 -0.567 -4.204 -24.371 1.00 42.41 H new ATOM 0 HG21 THR A 31 -1.140 -3.554 -22.144 1.00 24.22 H new ATOM 0 HG22 THR A 31 0.145 -2.809 -21.164 1.00 24.22 H new ATOM 0 HG23 THR A 31 -0.574 -1.909 -22.520 1.00 24.22 H new ATOM 485 N VAL A 32 3.967 -4.004 -23.267 1.00 62.00 N ATOM 486 CA VAL A 32 5.057 -4.725 -23.914 1.00 71.00 C ATOM 487 C VAL A 32 4.854 -6.233 -23.815 1.00 14.34 C ATOM 488 O VAL A 32 4.456 -6.750 -22.770 1.00 4.11 O ATOM 489 CB VAL A 32 6.418 -4.360 -23.293 1.00 43.42 C ATOM 490 CG1 VAL A 32 6.532 -4.923 -21.885 1.00 33.11 C ATOM 491 CG2 VAL A 32 7.555 -4.862 -24.170 1.00 43.43 C ATOM 0 H VAL A 32 3.926 -4.122 -22.255 1.00 62.00 H new ATOM 0 HA VAL A 32 5.053 -4.429 -24.963 1.00 71.00 H new ATOM 0 HB VAL A 32 6.489 -3.274 -23.231 1.00 43.42 H new ATOM 0 HG11 VAL A 32 7.501 -4.655 -21.463 1.00 33.11 H new ATOM 0 HG12 VAL A 32 5.738 -4.510 -21.263 1.00 33.11 H new ATOM 0 HG13 VAL A 32 6.439 -6.009 -21.919 1.00 33.11 H new ATOM 0 HG21 VAL A 32 8.510 -4.595 -23.716 1.00 43.43 H new ATOM 0 HG22 VAL A 32 7.489 -5.946 -24.266 1.00 43.43 H new ATOM 0 HG23 VAL A 32 7.482 -4.405 -25.157 1.00 43.43 H new ATOM 501 N THR A 33 5.129 -6.935 -24.909 1.00 42.03 N ATOM 502 CA THR A 33 4.976 -8.384 -24.946 1.00 44.15 C ATOM 503 C THR A 33 6.324 -9.074 -25.123 1.00 72.51 C ATOM 504 O THR A 33 7.171 -8.618 -25.891 1.00 11.11 O ATOM 505 CB THR A 33 4.035 -8.821 -26.085 1.00 44.51 C ATOM 506 OG1 THR A 33 4.570 -8.408 -27.348 1.00 21.21 O ATOM 507 CG2 THR A 33 2.647 -8.226 -25.898 1.00 25.50 C ATOM 0 H THR A 33 5.459 -6.523 -25.782 1.00 42.03 H new ATOM 0 HA THR A 33 4.541 -8.681 -23.992 1.00 44.15 H new ATOM 0 HB THR A 33 3.954 -9.908 -26.063 1.00 44.51 H new ATOM 0 HG1 THR A 33 3.967 -8.691 -28.067 1.00 21.21 H new ATOM 0 HG21 THR A 33 2.000 -8.548 -26.714 1.00 25.50 H new ATOM 0 HG22 THR A 33 2.231 -8.565 -24.949 1.00 25.50 H new ATOM 0 HG23 THR A 33 2.715 -7.138 -25.897 1.00 25.50 H new ATOM 515 N VAL A 34 6.516 -10.178 -24.408 1.00 22.31 N ATOM 516 CA VAL A 34 7.761 -10.933 -24.487 1.00 22.04 C ATOM 517 C VAL A 34 7.514 -12.349 -24.994 1.00 63.22 C ATOM 518 O VAL A 34 6.732 -13.100 -24.412 1.00 3.22 O ATOM 519 CB VAL A 34 8.461 -11.005 -23.117 1.00 22.35 C ATOM 520 CG1 VAL A 34 7.521 -11.577 -22.066 1.00 65.10 C ATOM 521 CG2 VAL A 34 9.734 -11.833 -23.212 1.00 42.31 C ATOM 0 H VAL A 34 5.825 -10.569 -23.768 1.00 22.31 H new ATOM 0 HA VAL A 34 8.407 -10.406 -25.190 1.00 22.04 H new ATOM 0 HB VAL A 34 8.734 -9.994 -22.815 1.00 22.35 H new ATOM 0 HG11 VAL A 34 8.033 -11.620 -21.105 1.00 65.10 H new ATOM 0 HG12 VAL A 34 6.641 -10.940 -21.980 1.00 65.10 H new ATOM 0 HG13 VAL A 34 7.215 -12.581 -22.359 1.00 65.10 H new ATOM 0 HG21 VAL A 34 10.216 -11.873 -22.235 1.00 42.31 H new ATOM 0 HG22 VAL A 34 9.487 -12.844 -23.537 1.00 42.31 H new ATOM 0 HG23 VAL A 34 10.412 -11.376 -23.932 1.00 42.31 H new ATOM 531 N GLU A 35 8.187 -12.707 -26.083 1.00 62.43 N ATOM 532 CA GLU A 35 8.041 -14.035 -26.668 1.00 61.05 C ATOM 533 C GLU A 35 9.383 -14.761 -26.713 1.00 52.41 C ATOM 534 O GLU A 35 10.391 -14.200 -27.144 1.00 15.01 O ATOM 535 CB GLU A 35 7.457 -13.933 -28.079 1.00 33.41 C ATOM 536 CG GLU A 35 6.578 -15.113 -28.460 1.00 63.23 C ATOM 537 CD GLU A 35 5.918 -14.936 -29.814 1.00 3.31 C ATOM 538 OE1 GLU A 35 4.681 -14.772 -29.853 1.00 33.22 O ATOM 539 OE2 GLU A 35 6.639 -14.960 -30.834 1.00 35.44 O ATOM 0 H GLU A 35 8.838 -12.097 -26.578 1.00 62.43 H new ATOM 0 HA GLU A 35 7.359 -14.608 -26.040 1.00 61.05 H new ATOM 0 HB2 GLU A 35 6.873 -13.016 -28.156 1.00 33.41 H new ATOM 0 HB3 GLU A 35 8.274 -13.852 -28.796 1.00 33.41 H new ATOM 0 HG2 GLU A 35 7.180 -16.022 -28.470 1.00 63.23 H new ATOM 0 HG3 GLU A 35 5.809 -15.248 -27.700 1.00 63.23 H new ATOM 546 N VAL A 36 9.388 -16.012 -26.264 1.00 15.32 N ATOM 547 CA VAL A 36 10.604 -16.815 -26.252 1.00 61.22 C ATOM 548 C VAL A 36 10.308 -18.265 -26.618 1.00 23.53 C ATOM 549 O VAL A 36 9.154 -18.692 -26.620 1.00 12.42 O ATOM 550 CB VAL A 36 11.291 -16.774 -24.874 1.00 74.41 C ATOM 551 CG1 VAL A 36 11.608 -15.341 -24.478 1.00 12.53 C ATOM 552 CG2 VAL A 36 10.418 -17.446 -23.824 1.00 51.25 C ATOM 0 H VAL A 36 8.563 -16.491 -25.904 1.00 15.32 H new ATOM 0 HA VAL A 36 11.275 -16.385 -26.996 1.00 61.22 H new ATOM 0 HB VAL A 36 12.230 -17.323 -24.939 1.00 74.41 H new ATOM 0 HG11 VAL A 36 12.093 -15.332 -23.502 1.00 12.53 H new ATOM 0 HG12 VAL A 36 12.274 -14.898 -25.218 1.00 12.53 H new ATOM 0 HG13 VAL A 36 10.684 -14.764 -24.430 1.00 12.53 H new ATOM 0 HG21 VAL A 36 10.918 -17.408 -22.856 1.00 51.25 H new ATOM 0 HG22 VAL A 36 9.462 -16.926 -23.759 1.00 51.25 H new ATOM 0 HG23 VAL A 36 10.247 -18.486 -24.104 1.00 51.25 H new ATOM 562 N GLN A 37 11.359 -19.019 -26.926 1.00 3.53 N ATOM 563 CA GLN A 37 11.212 -20.422 -27.292 1.00 74.04 C ATOM 564 C GLN A 37 11.536 -21.330 -26.111 1.00 32.31 C ATOM 565 O GLN A 37 12.676 -21.383 -25.650 1.00 64.13 O ATOM 566 CB GLN A 37 12.120 -20.760 -28.475 1.00 64.24 C ATOM 567 CG GLN A 37 11.788 -19.984 -29.739 1.00 42.43 C ATOM 568 CD GLN A 37 12.734 -20.297 -30.882 1.00 51.40 C ATOM 569 OE1 GLN A 37 12.390 -21.038 -31.803 1.00 34.55 O ATOM 570 NE2 GLN A 37 13.934 -19.731 -30.829 1.00 41.04 N ATOM 0 H GLN A 37 12.321 -18.681 -26.929 1.00 3.53 H new ATOM 0 HA GLN A 37 10.174 -20.589 -27.580 1.00 74.04 H new ATOM 0 HB2 GLN A 37 13.155 -20.559 -28.197 1.00 64.24 H new ATOM 0 HB3 GLN A 37 12.047 -21.827 -28.684 1.00 64.24 H new ATOM 0 HG2 GLN A 37 10.767 -20.214 -30.044 1.00 42.43 H new ATOM 0 HG3 GLN A 37 11.824 -18.916 -29.525 1.00 42.43 H new ATOM 0 HE21 GLN A 37 14.177 -19.123 -30.047 1.00 41.04 H new ATOM 0 HE22 GLN A 37 14.613 -19.904 -31.571 1.00 41.04 H new ATOM 579 N TYR A 38 10.526 -22.043 -25.625 1.00 31.22 N ATOM 580 CA TYR A 38 10.703 -22.948 -24.495 1.00 61.24 C ATOM 581 C TYR A 38 11.113 -24.339 -24.971 1.00 12.13 C ATOM 582 O TYR A 38 10.735 -24.771 -26.059 1.00 61.22 O ATOM 583 CB TYR A 38 9.413 -23.036 -23.678 1.00 3.11 C ATOM 584 CG TYR A 38 8.465 -24.112 -24.157 1.00 12.32 C ATOM 585 CD1 TYR A 38 7.952 -24.088 -25.448 1.00 34.01 C ATOM 586 CD2 TYR A 38 8.081 -25.151 -23.318 1.00 40.14 C ATOM 587 CE1 TYR A 38 7.084 -25.068 -25.890 1.00 21.32 C ATOM 588 CE2 TYR A 38 7.215 -26.136 -23.752 1.00 63.12 C ATOM 589 CZ TYR A 38 6.719 -26.090 -25.038 1.00 65.44 C ATOM 590 OH TYR A 38 5.856 -27.069 -25.474 1.00 33.11 O ATOM 0 H TYR A 38 9.576 -22.012 -25.996 1.00 31.22 H new ATOM 0 HA TYR A 38 11.498 -22.550 -23.864 1.00 61.24 H new ATOM 0 HB2 TYR A 38 9.666 -23.225 -22.635 1.00 3.11 H new ATOM 0 HB3 TYR A 38 8.904 -22.073 -23.714 1.00 3.11 H new ATOM 0 HD1 TYR A 38 8.237 -23.290 -26.117 1.00 34.01 H new ATOM 0 HD2 TYR A 38 8.466 -25.189 -22.310 1.00 40.14 H new ATOM 0 HE1 TYR A 38 6.694 -25.034 -26.896 1.00 21.32 H new ATOM 0 HE2 TYR A 38 6.928 -26.938 -23.088 1.00 63.12 H new ATOM 0 HH TYR A 38 5.702 -27.714 -24.753 1.00 33.11 H new ATOM 600 N ALA A 39 11.888 -25.035 -24.145 1.00 52.42 N ATOM 601 CA ALA A 39 12.348 -26.377 -24.479 1.00 5.40 C ATOM 602 C ALA A 39 12.307 -27.291 -23.259 1.00 2.50 C ATOM 603 O ALA A 39 13.013 -27.064 -22.277 1.00 64.14 O ATOM 604 CB ALA A 39 13.756 -26.324 -25.054 1.00 3.43 C ATOM 0 H ALA A 39 12.210 -24.691 -23.240 1.00 52.42 H new ATOM 0 HA ALA A 39 11.675 -26.788 -25.231 1.00 5.40 H new ATOM 0 HB1 ALA A 39 14.087 -27.333 -25.299 1.00 3.43 H new ATOM 0 HB2 ALA A 39 13.758 -25.712 -25.956 1.00 3.43 H new ATOM 0 HB3 ALA A 39 14.433 -25.888 -24.319 1.00 3.43 H new ATOM 675 N LYS A 46 4.574 -24.476 -17.544 1.00 64.13 N ATOM 676 CA LYS A 46 4.744 -23.032 -17.430 1.00 62.43 C ATOM 677 C LYS A 46 6.219 -22.651 -17.501 1.00 4.21 C ATOM 678 O LYS A 46 7.065 -23.283 -16.868 1.00 44.13 O ATOM 679 CB LYS A 46 4.138 -22.529 -16.118 1.00 65.02 C ATOM 680 CG LYS A 46 2.771 -23.116 -15.815 1.00 30.32 C ATOM 681 CD LYS A 46 1.934 -22.172 -14.968 1.00 51.03 C ATOM 682 CE LYS A 46 2.575 -21.923 -13.612 1.00 32.24 C ATOM 683 NZ LYS A 46 1.814 -20.922 -12.814 1.00 33.22 N ATOM 0 HA LYS A 46 4.225 -22.562 -18.266 1.00 62.43 H new ATOM 0 HB2 LYS A 46 4.816 -22.768 -15.299 1.00 65.02 H new ATOM 0 HB3 LYS A 46 4.057 -21.443 -16.158 1.00 65.02 H new ATOM 0 HG2 LYS A 46 2.250 -23.328 -16.749 1.00 30.32 H new ATOM 0 HG3 LYS A 46 2.889 -24.066 -15.294 1.00 30.32 H new ATOM 0 HD2 LYS A 46 1.810 -21.224 -15.492 1.00 51.03 H new ATOM 0 HD3 LYS A 46 0.938 -22.592 -14.829 1.00 51.03 H new ATOM 0 HE2 LYS A 46 2.632 -22.861 -13.059 1.00 32.24 H new ATOM 0 HE3 LYS A 46 3.598 -21.574 -13.753 1.00 32.24 H new ATOM 0 HZ1 LYS A 46 2.406 -20.082 -12.656 1.00 33.22 H new ATOM 0 HZ2 LYS A 46 0.954 -20.648 -13.330 1.00 33.22 H new ATOM 0 HZ3 LYS A 46 1.550 -21.337 -11.898 1.00 33.22 H new ATOM 697 N VAL A 47 6.521 -21.612 -18.273 1.00 50.14 N ATOM 698 CA VAL A 47 7.894 -21.145 -18.425 1.00 12.35 C ATOM 699 C VAL A 47 8.144 -19.894 -17.589 1.00 72.20 C ATOM 700 O VAL A 47 7.235 -19.111 -17.311 1.00 23.20 O ATOM 701 CB VAL A 47 8.224 -20.839 -19.898 1.00 14.23 C ATOM 702 CG1 VAL A 47 7.972 -22.062 -20.766 1.00 42.13 C ATOM 703 CG2 VAL A 47 7.412 -19.650 -20.389 1.00 41.31 C ATOM 0 H VAL A 47 5.833 -21.077 -18.803 1.00 50.14 H new ATOM 0 HA VAL A 47 8.542 -21.949 -18.075 1.00 12.35 H new ATOM 0 HB VAL A 47 9.281 -20.583 -19.971 1.00 14.23 H new ATOM 0 HG11 VAL A 47 8.210 -21.827 -21.803 1.00 42.13 H new ATOM 0 HG12 VAL A 47 8.601 -22.885 -20.426 1.00 42.13 H new ATOM 0 HG13 VAL A 47 6.924 -22.351 -20.691 1.00 42.13 H new ATOM 0 HG21 VAL A 47 7.657 -19.447 -21.432 1.00 41.31 H new ATOM 0 HG22 VAL A 47 6.349 -19.875 -20.304 1.00 41.31 H new ATOM 0 HG23 VAL A 47 7.647 -18.774 -19.784 1.00 41.31 H new ATOM 713 N PRO A 48 9.406 -19.700 -17.178 1.00 52.22 N ATOM 714 CA PRO A 48 9.806 -18.544 -16.370 1.00 31.11 C ATOM 715 C PRO A 48 9.758 -17.240 -17.159 1.00 63.32 C ATOM 716 O PRO A 48 10.175 -17.188 -18.316 1.00 22.41 O ATOM 717 CB PRO A 48 11.246 -18.874 -15.968 1.00 52.32 C ATOM 718 CG PRO A 48 11.735 -19.793 -17.033 1.00 61.42 C ATOM 719 CD PRO A 48 10.539 -20.593 -17.471 1.00 43.14 C ATOM 0 HA PRO A 48 9.138 -18.388 -15.523 1.00 31.11 H new ATOM 0 HB2 PRO A 48 11.857 -17.973 -15.911 1.00 52.32 H new ATOM 0 HB3 PRO A 48 11.285 -19.348 -14.987 1.00 52.32 H new ATOM 0 HG2 PRO A 48 12.157 -19.233 -17.868 1.00 61.42 H new ATOM 0 HG3 PRO A 48 12.523 -20.444 -16.655 1.00 61.42 H new ATOM 0 HD2 PRO A 48 10.589 -20.844 -18.531 1.00 43.14 H new ATOM 0 HD3 PRO A 48 10.462 -21.533 -16.924 1.00 43.14 H new ATOM 727 N ALA A 49 9.248 -16.189 -16.526 1.00 72.13 N ATOM 728 CA ALA A 49 9.148 -14.885 -17.169 1.00 54.23 C ATOM 729 C ALA A 49 9.070 -13.767 -16.135 1.00 33.33 C ATOM 730 O ALA A 49 8.197 -13.773 -15.267 1.00 53.33 O ATOM 731 CB ALA A 49 7.936 -14.841 -18.088 1.00 72.33 C ATOM 0 H ALA A 49 8.898 -16.215 -15.568 1.00 72.13 H new ATOM 0 HA ALA A 49 10.048 -14.732 -17.764 1.00 54.23 H new ATOM 0 HB1 ALA A 49 7.874 -13.861 -18.562 1.00 72.33 H new ATOM 0 HB2 ALA A 49 8.033 -15.609 -18.855 1.00 72.33 H new ATOM 0 HB3 ALA A 49 7.032 -15.021 -17.507 1.00 72.33 H new ATOM 737 N GLN A 50 9.988 -12.811 -16.233 1.00 30.54 N ATOM 738 CA GLN A 50 10.024 -11.689 -15.303 1.00 14.12 C ATOM 739 C GLN A 50 10.922 -10.574 -15.829 1.00 20.40 C ATOM 740 O GLN A 50 11.737 -10.792 -16.725 1.00 23.33 O ATOM 741 CB GLN A 50 10.516 -12.152 -13.930 1.00 54.53 C ATOM 742 CG GLN A 50 11.936 -12.692 -13.944 1.00 23.22 C ATOM 743 CD GLN A 50 12.649 -12.494 -12.620 1.00 53.04 C ATOM 744 OE1 GLN A 50 12.762 -13.421 -11.818 1.00 64.43 O ATOM 745 NE2 GLN A 50 13.134 -11.280 -12.385 1.00 34.42 N ATOM 0 H GLN A 50 10.716 -12.791 -16.947 1.00 30.54 H new ATOM 0 HA GLN A 50 9.011 -11.299 -15.205 1.00 14.12 H new ATOM 0 HB2 GLN A 50 10.461 -11.316 -13.233 1.00 54.53 H new ATOM 0 HB3 GLN A 50 9.846 -12.925 -13.555 1.00 54.53 H new ATOM 0 HG2 GLN A 50 11.914 -13.755 -14.185 1.00 23.22 H new ATOM 0 HG3 GLN A 50 12.501 -12.197 -14.734 1.00 23.22 H new ATOM 0 HE21 GLN A 50 13.017 -10.541 -13.078 1.00 34.42 H new ATOM 0 HE22 GLN A 50 13.623 -11.087 -11.511 1.00 34.42 H new ATOM 754 N MET A 51 10.767 -9.380 -15.267 1.00 35.45 N ATOM 755 CA MET A 51 11.566 -8.232 -15.678 1.00 72.23 C ATOM 756 C MET A 51 12.111 -7.486 -14.465 1.00 23.33 C ATOM 757 O MET A 51 11.382 -7.217 -13.511 1.00 11.50 O ATOM 758 CB MET A 51 10.730 -7.285 -16.541 1.00 13.44 C ATOM 759 CG MET A 51 11.530 -6.137 -17.133 1.00 43.54 C ATOM 760 SD MET A 51 10.484 -4.879 -17.891 1.00 41.33 S ATOM 761 CE MET A 51 9.767 -5.806 -19.246 1.00 10.24 C ATOM 0 H MET A 51 10.095 -9.182 -14.525 1.00 35.45 H new ATOM 0 HA MET A 51 12.408 -8.599 -16.265 1.00 72.23 H new ATOM 0 HB2 MET A 51 10.272 -7.853 -17.351 1.00 13.44 H new ATOM 0 HB3 MET A 51 9.918 -6.878 -15.938 1.00 13.44 H new ATOM 0 HG2 MET A 51 12.134 -5.678 -16.350 1.00 43.54 H new ATOM 0 HG3 MET A 51 12.221 -6.528 -17.880 1.00 43.54 H new ATOM 0 HE1 MET A 51 10.250 -5.518 -20.180 1.00 10.24 H new ATOM 0 HE2 MET A 51 9.914 -6.872 -19.075 1.00 10.24 H new ATOM 0 HE3 MET A 51 8.700 -5.592 -19.309 1.00 10.24 H new ATOM 771 N ALA A 52 13.398 -7.156 -14.508 1.00 31.23 N ATOM 772 CA ALA A 52 14.040 -6.441 -13.412 1.00 50.52 C ATOM 773 C ALA A 52 15.200 -5.589 -13.918 1.00 34.04 C ATOM 774 O ALA A 52 15.833 -5.918 -14.921 1.00 3.43 O ATOM 775 CB ALA A 52 14.524 -7.420 -12.354 1.00 22.43 C ATOM 0 H ALA A 52 14.016 -7.372 -15.290 1.00 31.23 H new ATOM 0 HA ALA A 52 13.302 -5.775 -12.964 1.00 50.52 H new ATOM 0 HB1 ALA A 52 15.001 -6.872 -11.542 1.00 22.43 H new ATOM 0 HB2 ALA A 52 13.676 -7.982 -11.963 1.00 22.43 H new ATOM 0 HB3 ALA A 52 15.242 -8.109 -12.798 1.00 22.43 H new ATOM 781 N VAL A 53 15.472 -4.493 -13.217 1.00 42.31 N ATOM 782 CA VAL A 53 16.557 -3.594 -13.594 1.00 71.42 C ATOM 783 C VAL A 53 17.889 -4.074 -13.029 1.00 1.33 C ATOM 784 O VAL A 53 18.928 -3.962 -13.680 1.00 11.10 O ATOM 785 CB VAL A 53 16.292 -2.158 -13.106 1.00 14.11 C ATOM 786 CG1 VAL A 53 17.414 -1.229 -13.542 1.00 65.44 C ATOM 787 CG2 VAL A 53 14.948 -1.661 -13.618 1.00 62.14 C ATOM 0 H VAL A 53 14.956 -4.206 -12.385 1.00 42.31 H new ATOM 0 HA VAL A 53 16.606 -3.596 -14.683 1.00 71.42 H new ATOM 0 HB VAL A 53 16.261 -2.164 -12.016 1.00 14.11 H new ATOM 0 HG11 VAL A 53 17.208 -0.219 -13.188 1.00 65.44 H new ATOM 0 HG12 VAL A 53 18.358 -1.576 -13.121 1.00 65.44 H new ATOM 0 HG13 VAL A 53 17.481 -1.225 -14.630 1.00 65.44 H new ATOM 0 HG21 VAL A 53 14.777 -0.645 -13.264 1.00 62.14 H new ATOM 0 HG22 VAL A 53 14.948 -1.670 -14.708 1.00 62.14 H new ATOM 0 HG23 VAL A 53 14.155 -2.312 -13.250 1.00 62.14 H new ATOM 797 N ASP A 54 17.851 -4.608 -11.813 1.00 64.32 N ATOM 798 CA ASP A 54 19.056 -5.108 -11.160 1.00 13.11 C ATOM 799 C ASP A 54 19.309 -6.566 -11.530 1.00 23.04 C ATOM 800 O ASP A 54 18.393 -7.283 -11.930 1.00 20.31 O ATOM 801 CB ASP A 54 18.934 -4.968 -9.642 1.00 13.52 C ATOM 802 CG ASP A 54 20.283 -4.968 -8.950 1.00 53.11 C ATOM 803 OD1 ASP A 54 20.550 -5.907 -8.171 1.00 64.25 O ATOM 804 OD2 ASP A 54 21.071 -4.029 -9.188 1.00 62.50 O ATOM 0 H ASP A 54 17.000 -4.706 -11.260 1.00 64.32 H new ATOM 0 HA ASP A 54 19.901 -4.512 -11.505 1.00 13.11 H new ATOM 0 HB2 ASP A 54 18.408 -4.043 -9.407 1.00 13.52 H new ATOM 0 HB3 ASP A 54 18.329 -5.787 -9.252 1.00 13.52 H new ATOM 809 N MET A 55 20.559 -6.997 -11.394 1.00 2.25 N ATOM 810 CA MET A 55 20.933 -8.369 -11.716 1.00 24.04 C ATOM 811 C MET A 55 21.164 -9.182 -10.446 1.00 31.03 C ATOM 812 O MET A 55 20.842 -10.369 -10.391 1.00 50.45 O ATOM 813 CB MET A 55 22.194 -8.386 -12.582 1.00 62.51 C ATOM 814 CG MET A 55 22.332 -9.641 -13.430 1.00 13.33 C ATOM 815 SD MET A 55 23.897 -9.708 -14.322 1.00 2.11 S ATOM 816 CE MET A 55 23.337 -9.471 -16.007 1.00 2.24 C ATOM 0 H MET A 55 21.329 -6.416 -11.063 1.00 2.25 H new ATOM 0 HA MET A 55 20.112 -8.822 -12.272 1.00 24.04 H new ATOM 0 HB2 MET A 55 22.187 -7.514 -13.236 1.00 62.51 H new ATOM 0 HB3 MET A 55 23.069 -8.295 -11.938 1.00 62.51 H new ATOM 0 HG2 MET A 55 22.245 -10.519 -12.790 1.00 13.33 H new ATOM 0 HG3 MET A 55 21.509 -9.685 -14.144 1.00 13.33 H new ATOM 0 HE1 MET A 55 24.194 -9.488 -16.681 1.00 2.24 H new ATOM 0 HE2 MET A 55 22.647 -10.270 -16.277 1.00 2.24 H new ATOM 0 HE3 MET A 55 22.829 -8.510 -16.090 1.00 2.24 H new ATOM 826 N GLN A 56 21.723 -8.536 -9.428 1.00 12.43 N ATOM 827 CA GLN A 56 21.997 -9.200 -8.159 1.00 61.44 C ATOM 828 C GLN A 56 20.700 -9.576 -7.450 1.00 63.21 C ATOM 829 O GLN A 56 20.587 -10.657 -6.871 1.00 71.32 O ATOM 830 CB GLN A 56 22.842 -8.298 -7.258 1.00 51.15 C ATOM 831 CG GLN A 56 23.620 -9.056 -6.195 1.00 73.21 C ATOM 832 CD GLN A 56 24.623 -10.027 -6.787 1.00 12.23 C ATOM 833 OE1 GLN A 56 24.395 -11.237 -6.808 1.00 41.31 O ATOM 834 NE2 GLN A 56 25.741 -9.500 -7.271 1.00 64.44 N ATOM 0 H GLN A 56 21.995 -7.553 -9.457 1.00 12.43 H new ATOM 0 HA GLN A 56 22.553 -10.114 -8.369 1.00 61.44 H new ATOM 0 HB2 GLN A 56 23.541 -7.735 -7.876 1.00 51.15 H new ATOM 0 HB3 GLN A 56 22.191 -7.572 -6.771 1.00 51.15 H new ATOM 0 HG2 GLN A 56 24.143 -8.344 -5.556 1.00 73.21 H new ATOM 0 HG3 GLN A 56 22.923 -9.602 -5.560 1.00 73.21 H new ATOM 0 HE21 GLN A 56 25.888 -8.491 -7.233 1.00 64.44 H new ATOM 0 HE22 GLN A 56 26.453 -10.104 -7.681 1.00 64.44 H new ATOM 843 N THR A 57 19.723 -8.676 -7.498 1.00 72.44 N ATOM 844 CA THR A 57 18.434 -8.913 -6.859 1.00 44.54 C ATOM 845 C THR A 57 17.403 -9.408 -7.867 1.00 65.21 C ATOM 846 O THR A 57 16.679 -10.370 -7.607 1.00 54.43 O ATOM 847 CB THR A 57 17.901 -7.636 -6.182 1.00 70.10 C ATOM 848 OG1 THR A 57 17.997 -6.527 -7.083 1.00 15.03 O ATOM 849 CG2 THR A 57 18.680 -7.332 -4.911 1.00 34.20 C ATOM 0 H THR A 57 19.800 -7.776 -7.973 1.00 72.44 H new ATOM 0 HA THR A 57 18.593 -9.679 -6.100 1.00 44.54 H new ATOM 0 HB THR A 57 16.856 -7.800 -5.919 1.00 70.10 H new ATOM 0 HG1 THR A 57 18.940 -6.335 -7.266 1.00 15.03 H new ATOM 0 HG21 THR A 57 18.286 -6.426 -4.451 1.00 34.20 H new ATOM 0 HG22 THR A 57 18.581 -8.165 -4.215 1.00 34.20 H new ATOM 0 HG23 THR A 57 19.732 -7.186 -5.155 1.00 34.20 H new ATOM 857 N LEU A 58 17.343 -8.747 -9.018 1.00 31.41 N ATOM 858 CA LEU A 58 16.400 -9.122 -10.066 1.00 41.33 C ATOM 859 C LEU A 58 14.970 -9.126 -9.536 1.00 71.42 C ATOM 860 O LEU A 58 14.184 -10.024 -9.844 1.00 44.54 O ATOM 861 CB LEU A 58 16.753 -10.500 -10.628 1.00 34.20 C ATOM 862 CG LEU A 58 17.940 -10.550 -11.590 1.00 3.53 C ATOM 863 CD1 LEU A 58 18.538 -11.947 -11.629 1.00 32.52 C ATOM 864 CD2 LEU A 58 17.517 -10.109 -12.983 1.00 73.34 C ATOM 0 H LEU A 58 17.936 -7.950 -9.249 1.00 31.41 H new ATOM 0 HA LEU A 58 16.469 -8.383 -10.864 1.00 41.33 H new ATOM 0 HB2 LEU A 58 16.960 -11.169 -9.792 1.00 34.20 H new ATOM 0 HB3 LEU A 58 15.877 -10.895 -11.143 1.00 34.20 H new ATOM 0 HG LEU A 58 18.704 -9.861 -11.229 1.00 3.53 H new ATOM 0 HD11 LEU A 58 19.382 -11.963 -12.319 1.00 32.52 H new ATOM 0 HD12 LEU A 58 18.880 -12.224 -10.632 1.00 32.52 H new ATOM 0 HD13 LEU A 58 17.782 -12.657 -11.964 1.00 32.52 H new ATOM 0 HD21 LEU A 58 18.375 -10.151 -13.654 1.00 73.34 H new ATOM 0 HD22 LEU A 58 16.734 -10.772 -13.352 1.00 73.34 H new ATOM 0 HD23 LEU A 58 17.138 -9.088 -12.942 1.00 73.34 H new ATOM 876 N THR A 59 14.637 -8.117 -8.738 1.00 55.31 N ATOM 877 CA THR A 59 13.301 -8.003 -8.167 1.00 33.13 C ATOM 878 C THR A 59 12.274 -7.645 -9.235 1.00 62.03 C ATOM 879 O THR A 59 12.587 -7.013 -10.244 1.00 45.32 O ATOM 880 CB THR A 59 13.255 -6.942 -7.051 1.00 42.33 C ATOM 881 OG1 THR A 59 14.171 -5.881 -7.347 1.00 15.12 O ATOM 882 CG2 THR A 59 13.602 -7.557 -5.704 1.00 63.32 C ATOM 0 H THR A 59 15.275 -7.366 -8.472 1.00 55.31 H new ATOM 0 HA THR A 59 13.056 -8.977 -7.743 1.00 33.13 H new ATOM 0 HB THR A 59 12.242 -6.544 -7.000 1.00 42.33 H new ATOM 0 HG1 THR A 59 14.135 -5.209 -6.634 1.00 15.12 H new ATOM 0 HG21 THR A 59 13.563 -6.788 -4.932 1.00 63.32 H new ATOM 0 HG22 THR A 59 12.886 -8.345 -5.468 1.00 63.32 H new ATOM 0 HG23 THR A 59 14.606 -7.979 -5.745 1.00 63.32 H new ATOM 890 N PRO A 60 11.017 -8.057 -9.011 1.00 45.05 N ATOM 891 CA PRO A 60 9.919 -7.790 -9.944 1.00 52.34 C ATOM 892 C PRO A 60 9.533 -6.315 -9.979 1.00 4.21 C ATOM 893 O PRO A 60 9.269 -5.708 -8.941 1.00 54.52 O ATOM 894 CB PRO A 60 8.768 -8.630 -9.387 1.00 35.32 C ATOM 895 CG PRO A 60 9.073 -8.776 -7.936 1.00 12.31 C ATOM 896 CD PRO A 60 10.572 -8.815 -7.830 1.00 42.11 C ATOM 0 HA PRO A 60 10.188 -8.038 -10.971 1.00 52.34 H new ATOM 0 HB2 PRO A 60 7.808 -8.138 -9.542 1.00 35.32 H new ATOM 0 HB3 PRO A 60 8.712 -9.601 -9.879 1.00 35.32 H new ATOM 0 HG2 PRO A 60 8.663 -7.943 -7.365 1.00 12.31 H new ATOM 0 HG3 PRO A 60 8.629 -9.687 -7.534 1.00 12.31 H new ATOM 0 HD2 PRO A 60 10.921 -8.358 -6.904 1.00 42.11 H new ATOM 0 HD3 PRO A 60 10.949 -9.838 -7.843 1.00 42.11 H new ATOM 904 N VAL A 61 9.503 -5.743 -11.179 1.00 24.52 N ATOM 905 CA VAL A 61 9.148 -4.340 -11.348 1.00 52.35 C ATOM 906 C VAL A 61 7.815 -4.194 -12.074 1.00 32.22 C ATOM 907 O VAL A 61 7.469 -5.009 -12.928 1.00 35.32 O ATOM 908 CB VAL A 61 10.232 -3.577 -12.132 1.00 42.14 C ATOM 909 CG1 VAL A 61 11.584 -3.717 -11.449 1.00 32.31 C ATOM 910 CG2 VAL A 61 10.298 -4.072 -13.569 1.00 61.22 C ATOM 0 H VAL A 61 9.720 -6.231 -12.048 1.00 24.52 H new ATOM 0 HA VAL A 61 9.064 -3.913 -10.349 1.00 52.35 H new ATOM 0 HB VAL A 61 9.968 -2.520 -12.148 1.00 42.14 H new ATOM 0 HG11 VAL A 61 12.337 -3.171 -12.017 1.00 32.31 H new ATOM 0 HG12 VAL A 61 11.526 -3.310 -10.440 1.00 32.31 H new ATOM 0 HG13 VAL A 61 11.859 -4.770 -11.400 1.00 32.31 H new ATOM 0 HG21 VAL A 61 11.069 -3.522 -14.108 1.00 61.22 H new ATOM 0 HG22 VAL A 61 10.538 -5.135 -13.577 1.00 61.22 H new ATOM 0 HG23 VAL A 61 9.334 -3.914 -14.053 1.00 61.22 H new ATOM 920 N GLY A 62 7.070 -3.149 -11.727 1.00 54.24 N ATOM 921 CA GLY A 62 5.782 -2.915 -12.355 1.00 20.33 C ATOM 922 C GLY A 62 4.730 -3.911 -11.907 1.00 41.33 C ATOM 923 O GLY A 62 4.804 -4.447 -10.802 1.00 32.13 O ATOM 0 H GLY A 62 7.335 -2.460 -11.023 1.00 54.24 H new ATOM 0 HA2 GLY A 62 5.445 -1.905 -12.121 1.00 20.33 H new ATOM 0 HA3 GLY A 62 5.893 -2.971 -13.438 1.00 20.33 H new ATOM 927 N ARG A 63 3.747 -4.157 -12.767 1.00 63.33 N ATOM 928 CA ARG A 63 2.674 -5.093 -12.454 1.00 24.24 C ATOM 929 C ARG A 63 2.482 -6.099 -13.585 1.00 24.34 C ATOM 930 O ARG A 63 2.354 -5.722 -14.750 1.00 65.33 O ATOM 931 CB ARG A 63 1.368 -4.338 -12.201 1.00 30.41 C ATOM 932 CG ARG A 63 1.200 -3.877 -10.763 1.00 12.34 C ATOM 933 CD ARG A 63 0.177 -2.757 -10.653 1.00 50.31 C ATOM 934 NE ARG A 63 -1.131 -3.158 -11.163 1.00 72.23 N ATOM 935 CZ ARG A 63 -1.985 -3.915 -10.483 1.00 23.03 C ATOM 936 NH1 ARG A 63 -1.670 -4.350 -9.270 1.00 44.43 N ATOM 937 NH2 ARG A 63 -3.157 -4.238 -11.014 1.00 63.25 N ATOM 0 H ARG A 63 3.672 -3.721 -13.686 1.00 63.33 H new ATOM 0 HA ARG A 63 2.952 -5.637 -11.551 1.00 24.24 H new ATOM 0 HB2 ARG A 63 1.327 -3.470 -12.859 1.00 30.41 H new ATOM 0 HB3 ARG A 63 0.529 -4.981 -12.468 1.00 30.41 H new ATOM 0 HG2 ARG A 63 0.888 -4.718 -10.144 1.00 12.34 H new ATOM 0 HG3 ARG A 63 2.159 -3.534 -10.375 1.00 12.34 H new ATOM 0 HD2 ARG A 63 0.082 -2.454 -9.610 1.00 50.31 H new ATOM 0 HD3 ARG A 63 0.531 -1.887 -11.207 1.00 50.31 H new ATOM 0 HE ARG A 63 -1.404 -2.839 -12.093 1.00 72.23 H new ATOM 0 HH11 ARG A 63 -0.770 -4.103 -8.857 1.00 44.43 H new ATOM 0 HH12 ARG A 63 -2.327 -4.931 -8.750 1.00 44.43 H new ATOM 0 HH21 ARG A 63 -3.404 -3.905 -11.946 1.00 63.25 H new ATOM 0 HH22 ARG A 63 -3.811 -4.819 -10.490 1.00 63.25 H new ATOM 951 N LEU A 64 2.464 -7.380 -13.233 1.00 71.21 N ATOM 952 CA LEU A 64 2.289 -8.442 -14.219 1.00 13.45 C ATOM 953 C LEU A 64 0.889 -8.397 -14.824 1.00 44.10 C ATOM 954 O LEU A 64 -0.103 -8.642 -14.137 1.00 42.30 O ATOM 955 CB LEU A 64 2.535 -9.807 -13.575 1.00 61.43 C ATOM 956 CG LEU A 64 3.976 -10.318 -13.616 1.00 32.24 C ATOM 957 CD1 LEU A 64 4.385 -10.649 -15.042 1.00 71.53 C ATOM 958 CD2 LEU A 64 4.923 -9.291 -13.012 1.00 32.41 C ATOM 0 H LEU A 64 2.568 -7.709 -12.273 1.00 71.21 H new ATOM 0 HA LEU A 64 3.015 -8.287 -15.017 1.00 13.45 H new ATOM 0 HB2 LEU A 64 2.218 -9.758 -12.533 1.00 61.43 H new ATOM 0 HB3 LEU A 64 1.896 -10.540 -14.068 1.00 61.43 H new ATOM 0 HG LEU A 64 4.035 -11.230 -13.023 1.00 32.24 H new ATOM 0 HD11 LEU A 64 5.413 -11.011 -15.051 1.00 71.53 H new ATOM 0 HD12 LEU A 64 3.725 -11.420 -15.440 1.00 71.53 H new ATOM 0 HD13 LEU A 64 4.310 -9.754 -15.659 1.00 71.53 H new ATOM 0 HD21 LEU A 64 5.944 -9.671 -13.049 1.00 32.41 H new ATOM 0 HD22 LEU A 64 4.861 -8.362 -13.578 1.00 32.41 H new ATOM 0 HD23 LEU A 64 4.643 -9.104 -11.975 1.00 32.41 H new ATOM 970 N ILE A 65 0.818 -8.085 -16.114 1.00 22.04 N ATOM 971 CA ILE A 65 -0.459 -8.013 -16.812 1.00 51.40 C ATOM 972 C ILE A 65 -1.091 -9.394 -16.947 1.00 12.23 C ATOM 973 O ILE A 65 -2.240 -9.604 -16.557 1.00 32.33 O ATOM 974 CB ILE A 65 -0.300 -7.394 -18.214 1.00 31.34 C ATOM 975 CG1 ILE A 65 0.303 -5.992 -18.111 1.00 1.12 C ATOM 976 CG2 ILE A 65 -1.643 -7.348 -18.928 1.00 22.34 C ATOM 977 CD1 ILE A 65 -0.537 -5.031 -17.300 1.00 12.34 C ATOM 0 H ILE A 65 1.630 -7.878 -16.696 1.00 22.04 H new ATOM 0 HA ILE A 65 -1.110 -7.376 -16.214 1.00 51.40 H new ATOM 0 HB ILE A 65 0.378 -8.018 -18.796 1.00 31.34 H new ATOM 0 HG12 ILE A 65 1.294 -6.064 -17.662 1.00 1.12 H new ATOM 0 HG13 ILE A 65 0.436 -5.588 -19.115 1.00 1.12 H new ATOM 0 HG21 ILE A 65 -1.514 -6.908 -19.917 1.00 22.34 H new ATOM 0 HG22 ILE A 65 -2.036 -8.360 -19.029 1.00 22.34 H new ATOM 0 HG23 ILE A 65 -2.342 -6.743 -18.350 1.00 22.34 H new ATOM 0 HD11 ILE A 65 -0.048 -4.057 -17.270 1.00 12.34 H new ATOM 0 HD12 ILE A 65 -1.520 -4.930 -17.760 1.00 12.34 H new ATOM 0 HD13 ILE A 65 -0.649 -5.413 -16.285 1.00 12.34 H new ATOM 989 N THR A 66 -0.332 -10.335 -17.500 1.00 53.43 N ATOM 990 CA THR A 66 -0.817 -11.697 -17.685 1.00 4.31 C ATOM 991 C THR A 66 -1.289 -12.296 -16.365 1.00 41.12 C ATOM 992 O THR A 66 -0.860 -11.874 -15.292 1.00 44.51 O ATOM 993 CB THR A 66 0.273 -12.604 -18.287 1.00 3.34 C ATOM 994 OG1 THR A 66 -0.291 -13.866 -18.660 1.00 3.12 O ATOM 995 CG2 THR A 66 1.405 -12.822 -17.293 1.00 52.14 C ATOM 0 H THR A 66 0.621 -10.179 -17.828 1.00 53.43 H new ATOM 0 HA THR A 66 -1.657 -11.643 -18.377 1.00 4.31 H new ATOM 0 HB THR A 66 0.677 -12.112 -19.172 1.00 3.34 H new ATOM 0 HG1 THR A 66 -0.033 -14.080 -19.581 1.00 3.12 H new ATOM 0 HG21 THR A 66 2.163 -13.465 -17.740 1.00 52.14 H new ATOM 0 HG22 THR A 66 1.851 -11.862 -17.033 1.00 52.14 H new ATOM 0 HG23 THR A 66 1.013 -13.295 -16.393 1.00 52.14 H new ATOM 1003 N ALA A 67 -2.175 -13.283 -16.452 1.00 43.22 N ATOM 1004 CA ALA A 67 -2.702 -13.943 -15.264 1.00 62.14 C ATOM 1005 C ALA A 67 -2.032 -15.296 -15.045 1.00 51.54 C ATOM 1006 O ALA A 67 -1.441 -15.543 -13.996 1.00 5.24 O ATOM 1007 CB ALA A 67 -4.210 -14.111 -15.379 1.00 64.02 C ATOM 0 H ALA A 67 -2.543 -13.643 -17.333 1.00 43.22 H new ATOM 0 HA ALA A 67 -2.482 -13.314 -14.401 1.00 62.14 H new ATOM 0 HB1 ALA A 67 -4.590 -14.605 -14.485 1.00 64.02 H new ATOM 0 HB2 ALA A 67 -4.679 -13.132 -15.479 1.00 64.02 H new ATOM 0 HB3 ALA A 67 -4.443 -14.716 -16.255 1.00 64.02 H new ATOM 1013 N ASN A 68 -2.130 -16.168 -16.043 1.00 54.23 N ATOM 1014 CA ASN A 68 -1.534 -17.496 -15.959 1.00 35.22 C ATOM 1015 C ASN A 68 -1.028 -17.953 -17.324 1.00 34.34 C ATOM 1016 O ASN A 68 -1.619 -18.815 -17.976 1.00 3.15 O ATOM 1017 CB ASN A 68 -2.553 -18.501 -15.417 1.00 61.42 C ATOM 1018 CG ASN A 68 -1.982 -19.903 -15.311 1.00 55.55 C ATOM 1019 OD1 ASN A 68 -0.947 -20.117 -14.682 1.00 22.15 O ATOM 1020 ND2 ASN A 68 -2.658 -20.864 -15.930 1.00 21.32 N ATOM 0 H ASN A 68 -2.617 -15.979 -16.919 1.00 54.23 H new ATOM 0 HA ASN A 68 -0.686 -17.444 -15.276 1.00 35.22 H new ATOM 0 HB2 ASN A 68 -2.894 -18.175 -14.434 1.00 61.42 H new ATOM 0 HB3 ASN A 68 -3.427 -18.516 -16.068 1.00 61.42 H new ATOM 0 HD21 ASN A 68 -2.323 -21.827 -15.895 1.00 21.32 H new ATOM 0 HD22 ASN A 68 -3.512 -20.639 -16.440 1.00 21.32 H new ATOM 1027 N PRO A 69 0.092 -17.364 -17.767 1.00 53.21 N ATOM 1028 CA PRO A 69 0.703 -17.695 -19.058 1.00 21.34 C ATOM 1029 C PRO A 69 1.317 -19.091 -19.067 1.00 2.04 C ATOM 1030 O PRO A 69 2.104 -19.440 -18.186 1.00 41.34 O ATOM 1031 CB PRO A 69 1.792 -16.631 -19.218 1.00 74.12 C ATOM 1032 CG PRO A 69 2.127 -16.219 -17.826 1.00 52.03 C ATOM 1033 CD PRO A 69 0.848 -16.329 -17.043 1.00 1.43 C ATOM 0 HA PRO A 69 -0.029 -17.701 -19.866 1.00 21.34 H new ATOM 0 HB2 PRO A 69 2.665 -17.032 -19.733 1.00 74.12 H new ATOM 0 HB3 PRO A 69 1.436 -15.785 -19.806 1.00 74.12 H new ATOM 0 HG2 PRO A 69 2.900 -16.862 -17.404 1.00 52.03 H new ATOM 0 HG3 PRO A 69 2.513 -15.200 -17.803 1.00 52.03 H new ATOM 0 HD2 PRO A 69 1.034 -16.617 -16.008 1.00 1.43 H new ATOM 0 HD3 PRO A 69 0.309 -15.382 -17.018 1.00 1.43 H new ATOM 1041 N VAL A 70 0.953 -19.886 -20.068 1.00 30.35 N ATOM 1042 CA VAL A 70 1.470 -21.244 -20.192 1.00 41.23 C ATOM 1043 C VAL A 70 1.576 -21.659 -21.655 1.00 72.43 C ATOM 1044 O VAL A 70 0.979 -21.035 -22.533 1.00 2.21 O ATOM 1045 CB VAL A 70 0.579 -22.255 -19.446 1.00 41.40 C ATOM 1046 CG1 VAL A 70 0.417 -21.850 -17.989 1.00 13.41 C ATOM 1047 CG2 VAL A 70 -0.775 -22.376 -20.128 1.00 51.14 C ATOM 0 H VAL A 70 0.302 -19.613 -20.805 1.00 30.35 H new ATOM 0 HA VAL A 70 2.463 -21.247 -19.743 1.00 41.23 H new ATOM 0 HB VAL A 70 1.063 -23.231 -19.475 1.00 41.40 H new ATOM 0 HG11 VAL A 70 -0.215 -22.576 -17.478 1.00 13.41 H new ATOM 0 HG12 VAL A 70 1.395 -21.819 -17.509 1.00 13.41 H new ATOM 0 HG13 VAL A 70 -0.045 -20.864 -17.935 1.00 13.41 H new ATOM 0 HG21 VAL A 70 -1.392 -23.094 -19.588 1.00 51.14 H new ATOM 0 HG22 VAL A 70 -1.269 -21.404 -20.132 1.00 51.14 H new ATOM 0 HG23 VAL A 70 -0.636 -22.716 -21.154 1.00 51.14 H new ATOM 1057 N ILE A 71 2.338 -22.717 -21.910 1.00 61.34 N ATOM 1058 CA ILE A 71 2.521 -23.217 -23.268 1.00 4.45 C ATOM 1059 C ILE A 71 1.459 -24.252 -23.621 1.00 12.33 C ATOM 1060 O ILE A 71 1.348 -25.292 -22.971 1.00 1.24 O ATOM 1061 CB ILE A 71 3.915 -23.845 -23.453 1.00 4.23 C ATOM 1062 CG1 ILE A 71 4.997 -22.908 -22.910 1.00 71.24 C ATOM 1063 CG2 ILE A 71 4.165 -24.157 -24.921 1.00 32.03 C ATOM 1064 CD1 ILE A 71 5.004 -21.547 -23.570 1.00 71.13 C ATOM 0 H ILE A 71 2.839 -23.245 -21.195 1.00 61.34 H new ATOM 0 HA ILE A 71 2.425 -22.360 -23.935 1.00 4.45 H new ATOM 0 HB ILE A 71 3.954 -24.778 -22.892 1.00 4.23 H new ATOM 0 HG12 ILE A 71 4.852 -22.782 -21.837 1.00 71.24 H new ATOM 0 HG13 ILE A 71 5.973 -23.374 -23.047 1.00 71.24 H new ATOM 0 HG21 ILE A 71 5.154 -24.600 -25.035 1.00 32.03 H new ATOM 0 HG22 ILE A 71 3.410 -24.858 -25.278 1.00 32.03 H new ATOM 0 HG23 ILE A 71 4.110 -23.237 -25.503 1.00 32.03 H new ATOM 0 HD11 ILE A 71 5.796 -20.936 -23.136 1.00 71.13 H new ATOM 0 HD12 ILE A 71 5.180 -21.662 -24.640 1.00 71.13 H new ATOM 0 HD13 ILE A 71 4.042 -21.060 -23.411 1.00 71.13 H new ATOM 1076 N THR A 72 0.678 -23.961 -24.657 1.00 45.11 N ATOM 1077 CA THR A 72 -0.377 -24.865 -25.097 1.00 24.11 C ATOM 1078 C THR A 72 0.077 -25.702 -26.288 1.00 2.43 C ATOM 1079 O THR A 72 -0.314 -26.860 -26.429 1.00 13.42 O ATOM 1080 CB THR A 72 -1.653 -24.094 -25.482 1.00 41.34 C ATOM 1081 OG1 THR A 72 -1.316 -22.967 -26.300 1.00 34.22 O ATOM 1082 CG2 THR A 72 -2.396 -23.622 -24.241 1.00 70.45 C ATOM 0 H THR A 72 0.757 -23.106 -25.207 1.00 45.11 H new ATOM 0 HA THR A 72 -0.599 -25.524 -24.257 1.00 24.11 H new ATOM 0 HB THR A 72 -2.303 -24.767 -26.041 1.00 41.34 H new ATOM 0 HG1 THR A 72 -2.133 -22.483 -26.542 1.00 34.22 H new ATOM 0 HG21 THR A 72 -3.294 -23.080 -24.539 1.00 70.45 H new ATOM 0 HG22 THR A 72 -2.676 -24.484 -23.635 1.00 70.45 H new ATOM 0 HG23 THR A 72 -1.751 -22.964 -23.659 1.00 70.45 H new ATOM 1090 N GLU A 73 0.905 -25.108 -27.141 1.00 42.53 N ATOM 1091 CA GLU A 73 1.411 -25.800 -28.321 1.00 1.42 C ATOM 1092 C GLU A 73 2.025 -27.144 -27.941 1.00 71.22 C ATOM 1093 O GLU A 73 2.222 -27.438 -26.762 1.00 51.02 O ATOM 1094 CB GLU A 73 2.451 -24.937 -29.039 1.00 53.31 C ATOM 1095 CG GLU A 73 1.843 -23.869 -29.933 1.00 14.23 C ATOM 1096 CD GLU A 73 0.891 -24.443 -30.964 1.00 62.52 C ATOM 1097 OE1 GLU A 73 1.353 -25.215 -31.831 1.00 33.42 O ATOM 1098 OE2 GLU A 73 -0.314 -24.122 -30.905 1.00 43.52 O ATOM 0 H GLU A 73 1.240 -24.150 -27.037 1.00 42.53 H new ATOM 0 HA GLU A 73 0.572 -25.980 -28.993 1.00 1.42 H new ATOM 0 HB2 GLU A 73 3.088 -24.457 -28.296 1.00 53.31 H new ATOM 0 HB3 GLU A 73 3.092 -25.581 -29.641 1.00 53.31 H new ATOM 0 HG2 GLU A 73 1.311 -23.144 -29.317 1.00 14.23 H new ATOM 0 HG3 GLU A 73 2.641 -23.329 -30.442 1.00 14.23 H new ATOM 1105 N SER A 74 2.324 -27.957 -28.949 1.00 63.13 N ATOM 1106 CA SER A 74 2.911 -29.273 -28.722 1.00 42.52 C ATOM 1107 C SER A 74 4.259 -29.395 -29.427 1.00 74.32 C ATOM 1108 O SER A 74 5.172 -30.061 -28.937 1.00 54.10 O ATOM 1109 CB SER A 74 1.964 -30.369 -29.214 1.00 11.25 C ATOM 1110 OG SER A 74 2.456 -31.655 -28.881 1.00 23.24 O ATOM 0 H SER A 74 2.170 -27.728 -29.931 1.00 63.13 H new ATOM 0 HA SER A 74 3.069 -29.394 -27.650 1.00 42.52 H new ATOM 0 HB2 SER A 74 0.978 -30.228 -28.771 1.00 11.25 H new ATOM 0 HB3 SER A 74 1.843 -30.291 -30.294 1.00 11.25 H new ATOM 0 HG SER A 74 1.832 -32.338 -29.205 1.00 23.24 H new ATOM 1116 N THR A 75 4.376 -28.748 -30.583 1.00 2.05 N ATOM 1117 CA THR A 75 5.610 -28.785 -31.357 1.00 40.03 C ATOM 1118 C THR A 75 6.814 -28.436 -30.490 1.00 64.42 C ATOM 1119 O THR A 75 6.663 -27.965 -29.364 1.00 3.22 O ATOM 1120 CB THR A 75 5.553 -27.813 -32.551 1.00 60.53 C ATOM 1121 OG1 THR A 75 5.364 -26.473 -32.084 1.00 24.22 O ATOM 1122 CG2 THR A 75 4.425 -28.188 -33.500 1.00 71.35 C ATOM 0 H THR A 75 3.631 -28.192 -31.003 1.00 2.05 H new ATOM 0 HA THR A 75 5.718 -29.803 -31.731 1.00 40.03 H new ATOM 0 HB THR A 75 6.498 -27.879 -33.090 1.00 60.53 H new ATOM 0 HG1 THR A 75 5.331 -25.862 -32.849 1.00 24.22 H new ATOM 0 HG21 THR A 75 4.404 -27.488 -34.335 1.00 71.35 H new ATOM 0 HG22 THR A 75 4.587 -29.198 -33.877 1.00 71.35 H new ATOM 0 HG23 THR A 75 3.474 -28.147 -32.969 1.00 71.35 H new ATOM 1130 N GLU A 76 8.009 -28.671 -31.023 1.00 64.12 N ATOM 1131 CA GLU A 76 9.240 -28.382 -30.296 1.00 34.44 C ATOM 1132 C GLU A 76 9.666 -26.932 -30.502 1.00 1.21 C ATOM 1133 O GLU A 76 9.642 -26.420 -31.620 1.00 52.22 O ATOM 1134 CB GLU A 76 10.358 -29.324 -30.747 1.00 44.52 C ATOM 1135 CG GLU A 76 11.751 -28.822 -30.404 1.00 61.23 C ATOM 1136 CD GLU A 76 12.675 -29.934 -29.945 1.00 53.23 C ATOM 1137 OE1 GLU A 76 13.084 -29.915 -28.766 1.00 3.35 O ATOM 1138 OE2 GLU A 76 12.988 -30.822 -30.765 1.00 60.00 O ATOM 0 H GLU A 76 8.151 -29.060 -31.955 1.00 64.12 H new ATOM 0 HA GLU A 76 9.050 -28.538 -29.234 1.00 34.44 H new ATOM 0 HB2 GLU A 76 10.208 -30.300 -30.285 1.00 44.52 H new ATOM 0 HB3 GLU A 76 10.288 -29.468 -31.825 1.00 44.52 H new ATOM 0 HG2 GLU A 76 12.182 -28.333 -31.278 1.00 61.23 H new ATOM 0 HG3 GLU A 76 11.679 -28.068 -29.620 1.00 61.23 H new ATOM 1145 N ASN A 77 10.056 -26.275 -29.414 1.00 30.41 N ATOM 1146 CA ASN A 77 10.486 -24.883 -29.474 1.00 61.13 C ATOM 1147 C ASN A 77 9.360 -23.987 -29.982 1.00 30.45 C ATOM 1148 O ASN A 77 9.410 -23.485 -31.104 1.00 61.43 O ATOM 1149 CB ASN A 77 11.711 -24.745 -30.381 1.00 54.22 C ATOM 1150 CG ASN A 77 13.014 -24.836 -29.611 1.00 13.41 C ATOM 1151 OD1 ASN A 77 13.112 -24.364 -28.478 1.00 21.21 O ATOM 1152 ND2 ASN A 77 14.022 -25.444 -30.224 1.00 43.14 N ATOM 0 H ASN A 77 10.083 -26.685 -28.480 1.00 30.41 H new ATOM 0 HA ASN A 77 10.751 -24.567 -28.465 1.00 61.13 H new ATOM 0 HB2 ASN A 77 11.686 -25.526 -31.141 1.00 54.22 H new ATOM 0 HB3 ASN A 77 11.667 -23.789 -30.904 1.00 54.22 H new ATOM 0 HD21 ASN A 77 14.923 -25.535 -29.756 1.00 43.14 H new ATOM 0 HD22 ASN A 77 13.895 -25.820 -31.164 1.00 43.14 H new ATOM 1159 N SER A 78 8.345 -23.791 -29.146 1.00 23.23 N ATOM 1160 CA SER A 78 7.205 -22.958 -29.510 1.00 30.41 C ATOM 1161 C SER A 78 7.313 -21.579 -28.868 1.00 12.42 C ATOM 1162 O SER A 78 8.129 -21.359 -27.972 1.00 60.25 O ATOM 1163 CB SER A 78 5.899 -23.631 -29.084 1.00 14.01 C ATOM 1164 OG SER A 78 4.909 -23.508 -30.091 1.00 44.32 O ATOM 0 H SER A 78 8.289 -24.198 -28.212 1.00 23.23 H new ATOM 0 HA SER A 78 7.206 -22.836 -30.593 1.00 30.41 H new ATOM 0 HB2 SER A 78 6.081 -24.685 -28.875 1.00 14.01 H new ATOM 0 HB3 SER A 78 5.539 -23.181 -28.159 1.00 14.01 H new ATOM 0 HG SER A 78 4.746 -24.384 -30.498 1.00 44.32 H new ATOM 1170 N LYS A 79 6.483 -20.651 -29.332 1.00 11.41 N ATOM 1171 CA LYS A 79 6.481 -19.292 -28.803 1.00 42.34 C ATOM 1172 C LYS A 79 5.230 -19.034 -27.970 1.00 10.40 C ATOM 1173 O LYS A 79 4.311 -19.852 -27.943 1.00 42.14 O ATOM 1174 CB LYS A 79 6.563 -18.278 -29.947 1.00 4.33 C ATOM 1175 CG LYS A 79 7.982 -17.998 -30.411 1.00 3.24 C ATOM 1176 CD LYS A 79 8.467 -19.053 -31.391 1.00 52.31 C ATOM 1177 CE LYS A 79 8.153 -18.664 -32.828 1.00 4.02 C ATOM 1178 NZ LYS A 79 8.343 -19.806 -33.765 1.00 54.41 N ATOM 0 H LYS A 79 5.803 -20.815 -30.074 1.00 11.41 H new ATOM 0 HA LYS A 79 7.354 -19.178 -28.160 1.00 42.34 H new ATOM 0 HB2 LYS A 79 5.980 -18.647 -30.791 1.00 4.33 H new ATOM 0 HB3 LYS A 79 6.103 -17.343 -29.626 1.00 4.33 H new ATOM 0 HG2 LYS A 79 8.025 -17.016 -30.882 1.00 3.24 H new ATOM 0 HG3 LYS A 79 8.648 -17.967 -29.549 1.00 3.24 H new ATOM 0 HD2 LYS A 79 9.542 -19.191 -31.277 1.00 52.31 H new ATOM 0 HD3 LYS A 79 7.997 -20.009 -31.161 1.00 52.31 H new ATOM 0 HE2 LYS A 79 7.124 -18.309 -32.892 1.00 4.02 H new ATOM 0 HE3 LYS A 79 8.795 -17.836 -33.129 1.00 4.02 H new ATOM 0 HZ1 LYS A 79 8.119 -19.501 -34.734 1.00 54.41 H new ATOM 0 HZ2 LYS A 79 9.331 -20.129 -33.723 1.00 54.41 H new ATOM 0 HZ3 LYS A 79 7.712 -20.587 -33.493 1.00 54.41 H new ATOM 1192 N MET A 80 5.201 -17.891 -27.292 1.00 43.22 N ATOM 1193 CA MET A 80 4.060 -17.524 -26.461 1.00 64.12 C ATOM 1194 C MET A 80 4.043 -16.022 -26.193 1.00 64.52 C ATOM 1195 O MET A 80 5.012 -15.464 -25.680 1.00 1.52 O ATOM 1196 CB MET A 80 4.099 -18.290 -25.137 1.00 43.24 C ATOM 1197 CG MET A 80 2.818 -18.171 -24.328 1.00 51.54 C ATOM 1198 SD MET A 80 1.461 -19.128 -25.031 1.00 24.53 S ATOM 1199 CE MET A 80 0.329 -17.821 -25.496 1.00 31.12 C ATOM 0 H MET A 80 5.954 -17.203 -27.302 1.00 43.22 H new ATOM 0 HA MET A 80 3.150 -17.789 -26.999 1.00 64.12 H new ATOM 0 HB2 MET A 80 4.293 -19.343 -25.341 1.00 43.24 H new ATOM 0 HB3 MET A 80 4.932 -17.922 -24.538 1.00 43.24 H new ATOM 0 HG2 MET A 80 3.004 -18.507 -23.308 1.00 51.54 H new ATOM 0 HG3 MET A 80 2.526 -17.122 -24.269 1.00 51.54 H new ATOM 0 HE1 MET A 80 -0.655 -18.246 -25.695 1.00 31.12 H new ATOM 0 HE2 MET A 80 0.255 -17.098 -24.684 1.00 31.12 H new ATOM 0 HE3 MET A 80 0.697 -17.323 -26.393 1.00 31.12 H new ATOM 1209 N MET A 81 2.937 -15.376 -26.544 1.00 52.34 N ATOM 1210 CA MET A 81 2.795 -13.939 -26.340 1.00 53.35 C ATOM 1211 C MET A 81 2.469 -13.626 -24.883 1.00 41.04 C ATOM 1212 O MET A 81 1.487 -14.127 -24.335 1.00 14.10 O ATOM 1213 CB MET A 81 1.701 -13.378 -27.251 1.00 74.43 C ATOM 1214 CG MET A 81 1.744 -11.866 -27.393 1.00 53.42 C ATOM 1215 SD MET A 81 0.106 -11.141 -27.606 1.00 23.12 S ATOM 1216 CE MET A 81 -0.493 -11.159 -25.918 1.00 54.42 C ATOM 0 H MET A 81 2.126 -15.824 -26.971 1.00 52.34 H new ATOM 0 HA MET A 81 3.745 -13.467 -26.591 1.00 53.35 H new ATOM 0 HB2 MET A 81 1.795 -13.830 -28.238 1.00 74.43 H new ATOM 0 HB3 MET A 81 0.727 -13.670 -26.858 1.00 74.43 H new ATOM 0 HG2 MET A 81 2.216 -11.435 -26.510 1.00 53.42 H new ATOM 0 HG3 MET A 81 2.367 -11.603 -28.247 1.00 53.42 H new ATOM 0 HE1 MET A 81 -1.499 -10.740 -25.884 1.00 54.42 H new ATOM 0 HE2 MET A 81 -0.515 -12.185 -25.551 1.00 54.42 H new ATOM 0 HE3 MET A 81 0.169 -10.563 -25.290 1.00 54.42 H new ATOM 1226 N LEU A 82 3.299 -12.796 -24.262 1.00 1.24 N ATOM 1227 CA LEU A 82 3.099 -12.417 -22.867 1.00 45.51 C ATOM 1228 C LEU A 82 2.653 -10.962 -22.757 1.00 31.21 C ATOM 1229 O LEU A 82 2.708 -10.211 -23.730 1.00 75.32 O ATOM 1230 CB LEU A 82 4.388 -12.628 -22.071 1.00 45.10 C ATOM 1231 CG LEU A 82 4.606 -14.032 -21.506 1.00 70.13 C ATOM 1232 CD1 LEU A 82 3.660 -14.293 -20.344 1.00 50.44 C ATOM 1233 CD2 LEU A 82 4.418 -15.079 -22.594 1.00 65.43 C ATOM 0 H LEU A 82 4.116 -12.373 -24.701 1.00 1.24 H new ATOM 0 HA LEU A 82 2.315 -13.051 -22.453 1.00 45.51 H new ATOM 0 HB2 LEU A 82 5.233 -12.382 -22.714 1.00 45.10 H new ATOM 0 HB3 LEU A 82 4.400 -11.919 -21.243 1.00 45.10 H new ATOM 0 HG LEU A 82 5.629 -14.099 -21.137 1.00 70.13 H new ATOM 0 HD11 LEU A 82 3.830 -15.297 -19.955 1.00 50.44 H new ATOM 0 HD12 LEU A 82 3.842 -13.563 -19.556 1.00 50.44 H new ATOM 0 HD13 LEU A 82 2.629 -14.207 -20.688 1.00 50.44 H new ATOM 0 HD21 LEU A 82 4.577 -16.072 -22.174 1.00 65.43 H new ATOM 0 HD22 LEU A 82 3.406 -15.011 -22.993 1.00 65.43 H new ATOM 0 HD23 LEU A 82 5.136 -14.904 -23.395 1.00 65.43 H new ATOM 1245 N GLU A 83 2.214 -10.572 -21.564 1.00 75.15 N ATOM 1246 CA GLU A 83 1.759 -9.207 -21.328 1.00 2.13 C ATOM 1247 C GLU A 83 2.495 -8.586 -20.144 1.00 45.11 C ATOM 1248 O GLU A 83 2.465 -9.115 -19.032 1.00 71.23 O ATOM 1249 CB GLU A 83 0.251 -9.185 -21.072 1.00 54.24 C ATOM 1250 CG GLU A 83 -0.571 -9.722 -22.232 1.00 62.32 C ATOM 1251 CD GLU A 83 -2.026 -9.941 -21.865 1.00 24.24 C ATOM 1252 OE1 GLU A 83 -2.292 -10.767 -20.966 1.00 0.40 O ATOM 1253 OE2 GLU A 83 -2.897 -9.288 -22.475 1.00 52.11 O ATOM 0 H GLU A 83 2.164 -11.181 -20.747 1.00 75.15 H new ATOM 0 HA GLU A 83 1.978 -8.619 -22.220 1.00 2.13 H new ATOM 0 HB2 GLU A 83 0.034 -9.773 -20.181 1.00 54.24 H new ATOM 0 HB3 GLU A 83 -0.058 -8.161 -20.862 1.00 54.24 H new ATOM 0 HG2 GLU A 83 -0.512 -9.024 -23.068 1.00 62.32 H new ATOM 0 HG3 GLU A 83 -0.140 -10.664 -22.572 1.00 62.32 H new ATOM 1260 N LEU A 84 3.157 -7.461 -20.391 1.00 41.21 N ATOM 1261 CA LEU A 84 3.903 -6.767 -19.347 1.00 23.11 C ATOM 1262 C LEU A 84 3.650 -5.264 -19.404 1.00 21.02 C ATOM 1263 O LEU A 84 3.478 -4.694 -20.481 1.00 43.32 O ATOM 1264 CB LEU A 84 5.400 -7.049 -19.489 1.00 30.40 C ATOM 1265 CG LEU A 84 5.874 -8.420 -19.004 1.00 15.14 C ATOM 1266 CD1 LEU A 84 5.687 -9.465 -20.092 1.00 72.50 C ATOM 1267 CD2 LEU A 84 7.330 -8.357 -18.566 1.00 53.12 C ATOM 0 H LEU A 84 3.192 -7.010 -21.305 1.00 41.21 H new ATOM 0 HA LEU A 84 3.559 -7.138 -18.382 1.00 23.11 H new ATOM 0 HB2 LEU A 84 5.671 -6.944 -20.540 1.00 30.40 H new ATOM 0 HB3 LEU A 84 5.947 -6.283 -18.940 1.00 30.40 H new ATOM 0 HG LEU A 84 5.269 -8.709 -18.144 1.00 15.14 H new ATOM 0 HD11 LEU A 84 6.030 -10.434 -19.729 1.00 72.50 H new ATOM 0 HD12 LEU A 84 4.632 -9.529 -20.357 1.00 72.50 H new ATOM 0 HD13 LEU A 84 6.265 -9.182 -20.972 1.00 72.50 H new ATOM 0 HD21 LEU A 84 7.650 -9.341 -18.224 1.00 53.12 H new ATOM 0 HD22 LEU A 84 7.950 -8.046 -19.407 1.00 53.12 H new ATOM 0 HD23 LEU A 84 7.435 -7.639 -17.753 1.00 53.12 H new ATOM 1279 N ASP A 85 3.630 -4.628 -18.238 1.00 25.24 N ATOM 1280 CA ASP A 85 3.403 -3.190 -18.154 1.00 72.24 C ATOM 1281 C ASP A 85 4.272 -2.564 -17.068 1.00 61.33 C ATOM 1282 O ASP A 85 3.784 -2.110 -16.033 1.00 50.14 O ATOM 1283 CB ASP A 85 1.927 -2.901 -17.874 1.00 23.32 C ATOM 1284 CG ASP A 85 1.539 -1.478 -18.223 1.00 45.10 C ATOM 1285 OD1 ASP A 85 2.449 -0.657 -18.465 1.00 63.12 O ATOM 1286 OD2 ASP A 85 0.326 -1.185 -18.255 1.00 42.10 O ATOM 0 H ASP A 85 3.768 -5.086 -17.337 1.00 25.24 H new ATOM 0 HA ASP A 85 3.677 -2.748 -19.112 1.00 72.24 H new ATOM 0 HB2 ASP A 85 1.309 -3.593 -18.446 1.00 23.32 H new ATOM 0 HB3 ASP A 85 1.718 -3.083 -16.820 1.00 23.32 H new ATOM 1291 N PRO A 86 5.592 -2.540 -17.307 1.00 32.12 N ATOM 1292 CA PRO A 86 6.557 -1.975 -16.359 1.00 42.15 C ATOM 1293 C PRO A 86 6.449 -0.457 -16.257 1.00 73.33 C ATOM 1294 O PRO A 86 5.793 0.198 -17.068 1.00 2.25 O ATOM 1295 CB PRO A 86 7.911 -2.376 -16.951 1.00 51.41 C ATOM 1296 CG PRO A 86 7.652 -2.548 -18.408 1.00 55.30 C ATOM 1297 CD PRO A 86 6.243 -3.062 -18.520 1.00 20.21 C ATOM 0 HA PRO A 86 6.394 -2.340 -15.345 1.00 42.15 H new ATOM 0 HB2 PRO A 86 8.664 -1.609 -16.771 1.00 51.41 H new ATOM 0 HB3 PRO A 86 8.281 -3.298 -16.503 1.00 51.41 H new ATOM 0 HG2 PRO A 86 7.766 -1.603 -18.939 1.00 55.30 H new ATOM 0 HG3 PRO A 86 8.360 -3.249 -18.850 1.00 55.30 H new ATOM 0 HD2 PRO A 86 5.754 -2.701 -19.425 1.00 20.21 H new ATOM 0 HD3 PRO A 86 6.214 -4.151 -18.555 1.00 20.21 H new ATOM 1305 N PRO A 87 7.106 0.117 -15.239 1.00 22.52 N ATOM 1306 CA PRO A 87 7.099 1.564 -15.007 1.00 34.01 C ATOM 1307 C PRO A 87 7.882 2.326 -16.070 1.00 62.45 C ATOM 1308 O PRO A 87 8.301 1.753 -17.076 1.00 64.53 O ATOM 1309 CB PRO A 87 7.773 1.708 -13.640 1.00 70.23 C ATOM 1310 CG PRO A 87 8.633 0.498 -13.513 1.00 44.43 C ATOM 1311 CD PRO A 87 7.908 -0.603 -14.235 1.00 63.44 C ATOM 0 HA PRO A 87 6.091 1.978 -15.046 1.00 34.01 H new ATOM 0 HB2 PRO A 87 8.365 2.622 -13.584 1.00 70.23 H new ATOM 0 HB3 PRO A 87 7.036 1.756 -12.838 1.00 70.23 H new ATOM 0 HG2 PRO A 87 9.616 0.670 -13.951 1.00 44.43 H new ATOM 0 HG3 PRO A 87 8.791 0.240 -12.466 1.00 44.43 H new ATOM 0 HD2 PRO A 87 8.602 -1.302 -14.701 1.00 63.44 H new ATOM 0 HD3 PRO A 87 7.279 -1.181 -13.558 1.00 63.44 H new ATOM 1319 N PHE A 88 8.077 3.620 -15.842 1.00 11.13 N ATOM 1320 CA PHE A 88 8.811 4.460 -16.781 1.00 12.43 C ATOM 1321 C PHE A 88 10.315 4.355 -16.545 1.00 34.15 C ATOM 1322 O PHE A 88 10.781 4.416 -15.408 1.00 24.01 O ATOM 1323 CB PHE A 88 8.364 5.918 -16.651 1.00 32.14 C ATOM 1324 CG PHE A 88 8.851 6.585 -15.396 1.00 34.52 C ATOM 1325 CD1 PHE A 88 8.115 6.507 -14.224 1.00 52.53 C ATOM 1326 CD2 PHE A 88 10.044 7.289 -15.388 1.00 31.31 C ATOM 1327 CE1 PHE A 88 8.560 7.119 -13.068 1.00 2.43 C ATOM 1328 CE2 PHE A 88 10.494 7.902 -14.234 1.00 45.34 C ATOM 1329 CZ PHE A 88 9.751 7.819 -13.073 1.00 61.42 C ATOM 0 H PHE A 88 7.737 4.110 -15.015 1.00 11.13 H new ATOM 0 HA PHE A 88 8.594 4.109 -17.790 1.00 12.43 H new ATOM 0 HB2 PHE A 88 8.724 6.478 -17.514 1.00 32.14 H new ATOM 0 HB3 PHE A 88 7.275 5.959 -16.676 1.00 32.14 H new ATOM 0 HD1 PHE A 88 7.183 5.962 -14.214 1.00 52.53 H new ATOM 0 HD2 PHE A 88 10.629 7.360 -16.293 1.00 31.31 H new ATOM 0 HE1 PHE A 88 7.977 7.050 -12.161 1.00 2.43 H new ATOM 0 HE2 PHE A 88 11.427 8.446 -14.240 1.00 45.34 H new ATOM 0 HZ PHE A 88 10.100 8.300 -12.171 1.00 61.42 H new ATOM 1339 N GLY A 89 11.068 4.195 -17.628 1.00 43.23 N ATOM 1340 CA GLY A 89 12.511 4.084 -17.519 1.00 21.43 C ATOM 1341 C GLY A 89 13.067 2.931 -18.331 1.00 32.42 C ATOM 1342 O GLY A 89 12.571 2.632 -19.417 1.00 50.14 O ATOM 0 H GLY A 89 10.705 4.140 -18.580 1.00 43.23 H new ATOM 0 HA2 GLY A 89 12.970 5.014 -17.853 1.00 21.43 H new ATOM 0 HA3 GLY A 89 12.784 3.952 -16.472 1.00 21.43 H new ATOM 1346 N ASP A 90 14.100 2.282 -17.804 1.00 54.03 N ATOM 1347 CA ASP A 90 14.724 1.155 -18.488 1.00 13.13 C ATOM 1348 C ASP A 90 14.765 -0.073 -17.584 1.00 24.11 C ATOM 1349 O ASP A 90 14.853 0.046 -16.362 1.00 31.12 O ATOM 1350 CB ASP A 90 16.139 1.523 -18.935 1.00 63.20 C ATOM 1351 CG ASP A 90 17.002 2.009 -17.787 1.00 35.34 C ATOM 1352 OD1 ASP A 90 17.556 1.158 -17.060 1.00 5.04 O ATOM 1353 OD2 ASP A 90 17.122 3.240 -17.615 1.00 60.43 O ATOM 0 H ASP A 90 14.523 2.517 -16.906 1.00 54.03 H new ATOM 0 HA ASP A 90 14.125 0.917 -19.367 1.00 13.13 H new ATOM 0 HB2 ASP A 90 16.609 0.654 -19.396 1.00 63.20 H new ATOM 0 HB3 ASP A 90 16.085 2.299 -19.699 1.00 63.20 H new ATOM 1358 N SER A 91 14.701 -1.253 -18.193 1.00 41.43 N ATOM 1359 CA SER A 91 14.727 -2.503 -17.443 1.00 51.04 C ATOM 1360 C SER A 91 15.454 -3.591 -18.227 1.00 21.51 C ATOM 1361 O SER A 91 16.002 -3.339 -19.300 1.00 51.33 O ATOM 1362 CB SER A 91 13.302 -2.957 -17.119 1.00 64.34 C ATOM 1363 OG SER A 91 12.669 -2.055 -16.229 1.00 43.31 O ATOM 0 H SER A 91 14.631 -1.369 -19.204 1.00 41.43 H new ATOM 0 HA SER A 91 15.266 -2.329 -16.512 1.00 51.04 H new ATOM 0 HB2 SER A 91 12.723 -3.031 -18.039 1.00 64.34 H new ATOM 0 HB3 SER A 91 13.326 -3.953 -16.676 1.00 64.34 H new ATOM 0 HG SER A 91 11.760 -2.367 -16.039 1.00 43.31 H new ATOM 1369 N TYR A 92 15.455 -4.803 -17.682 1.00 50.03 N ATOM 1370 CA TYR A 92 16.118 -5.930 -18.327 1.00 74.42 C ATOM 1371 C TYR A 92 15.282 -7.200 -18.198 1.00 75.04 C ATOM 1372 O TYR A 92 15.083 -7.717 -17.099 1.00 24.05 O ATOM 1373 CB TYR A 92 17.502 -6.154 -17.715 1.00 54.42 C ATOM 1374 CG TYR A 92 18.546 -5.179 -18.209 1.00 44.41 C ATOM 1375 CD1 TYR A 92 18.880 -4.052 -17.467 1.00 32.34 C ATOM 1376 CD2 TYR A 92 19.199 -5.383 -19.418 1.00 44.33 C ATOM 1377 CE1 TYR A 92 19.833 -3.158 -17.914 1.00 62.30 C ATOM 1378 CE2 TYR A 92 20.155 -4.495 -19.873 1.00 2.13 C ATOM 1379 CZ TYR A 92 20.468 -3.384 -19.117 1.00 64.23 C ATOM 1380 OH TYR A 92 21.419 -2.497 -19.567 1.00 52.43 O ATOM 0 H TYR A 92 15.004 -5.030 -16.796 1.00 50.03 H new ATOM 0 HA TYR A 92 16.230 -5.695 -19.386 1.00 74.42 H new ATOM 0 HB2 TYR A 92 17.428 -6.075 -16.630 1.00 54.42 H new ATOM 0 HB3 TYR A 92 17.830 -7.169 -17.939 1.00 54.42 H new ATOM 0 HD1 TYR A 92 18.385 -3.872 -16.524 1.00 32.34 H new ATOM 0 HD2 TYR A 92 18.955 -6.251 -20.013 1.00 44.33 H new ATOM 0 HE1 TYR A 92 20.079 -2.287 -17.325 1.00 62.30 H new ATOM 0 HE2 TYR A 92 20.654 -4.670 -20.815 1.00 2.13 H new ATOM 0 HH TYR A 92 21.770 -2.803 -20.429 1.00 52.43 H new ATOM 1390 N ILE A 93 14.794 -7.697 -19.330 1.00 43.13 N ATOM 1391 CA ILE A 93 13.981 -8.907 -19.345 1.00 45.35 C ATOM 1392 C ILE A 93 14.855 -10.156 -19.345 1.00 25.35 C ATOM 1393 O ILE A 93 15.798 -10.269 -20.129 1.00 12.43 O ATOM 1394 CB ILE A 93 13.052 -8.945 -20.573 1.00 31.11 C ATOM 1395 CG1 ILE A 93 12.124 -7.729 -20.575 1.00 53.30 C ATOM 1396 CG2 ILE A 93 12.244 -10.234 -20.586 1.00 25.43 C ATOM 1397 CD1 ILE A 93 11.935 -7.115 -21.945 1.00 5.34 C ATOM 0 H ILE A 93 14.948 -7.280 -20.248 1.00 43.13 H new ATOM 0 HA ILE A 93 13.374 -8.891 -18.440 1.00 45.35 H new ATOM 0 HB ILE A 93 13.664 -8.913 -21.474 1.00 31.11 H new ATOM 0 HG12 ILE A 93 11.152 -8.024 -20.181 1.00 53.30 H new ATOM 0 HG13 ILE A 93 12.526 -6.974 -19.900 1.00 53.30 H new ATOM 0 HG21 ILE A 93 11.592 -10.246 -21.460 1.00 25.43 H new ATOM 0 HG22 ILE A 93 12.921 -11.087 -20.626 1.00 25.43 H new ATOM 0 HG23 ILE A 93 11.639 -10.293 -19.681 1.00 25.43 H new ATOM 0 HD11 ILE A 93 11.265 -6.258 -21.870 1.00 5.34 H new ATOM 0 HD12 ILE A 93 12.900 -6.789 -22.334 1.00 5.34 H new ATOM 0 HD13 ILE A 93 11.503 -7.855 -22.619 1.00 5.34 H new ATOM 1409 N VAL A 94 14.535 -11.095 -18.460 1.00 24.14 N ATOM 1410 CA VAL A 94 15.290 -12.339 -18.358 1.00 14.33 C ATOM 1411 C VAL A 94 14.361 -13.547 -18.371 1.00 34.51 C ATOM 1412 O VAL A 94 13.261 -13.504 -17.819 1.00 11.35 O ATOM 1413 CB VAL A 94 16.142 -12.375 -17.076 1.00 5.53 C ATOM 1414 CG1 VAL A 94 16.947 -13.664 -17.005 1.00 51.51 C ATOM 1415 CG2 VAL A 94 17.058 -11.161 -17.011 1.00 74.11 C ATOM 0 H VAL A 94 13.758 -11.018 -17.803 1.00 24.14 H new ATOM 0 HA VAL A 94 15.950 -12.381 -19.225 1.00 14.33 H new ATOM 0 HB VAL A 94 15.473 -12.345 -16.216 1.00 5.53 H new ATOM 0 HG11 VAL A 94 17.543 -13.671 -16.092 1.00 51.51 H new ATOM 0 HG12 VAL A 94 16.268 -14.517 -17.002 1.00 51.51 H new ATOM 0 HG13 VAL A 94 17.607 -13.729 -17.870 1.00 51.51 H new ATOM 0 HG21 VAL A 94 17.653 -11.203 -16.099 1.00 74.11 H new ATOM 0 HG22 VAL A 94 17.721 -11.158 -17.876 1.00 74.11 H new ATOM 0 HG23 VAL A 94 16.457 -10.251 -17.011 1.00 74.11 H new ATOM 1425 N ILE A 95 14.810 -14.625 -19.004 1.00 62.44 N ATOM 1426 CA ILE A 95 14.020 -15.847 -19.087 1.00 71.32 C ATOM 1427 C ILE A 95 14.837 -17.061 -18.657 1.00 1.31 C ATOM 1428 O ILE A 95 15.946 -17.280 -19.143 1.00 75.14 O ATOM 1429 CB ILE A 95 13.490 -16.079 -20.515 1.00 20.44 C ATOM 1430 CG1 ILE A 95 12.604 -14.910 -20.950 1.00 23.14 C ATOM 1431 CG2 ILE A 95 12.720 -17.390 -20.587 1.00 43.33 C ATOM 1432 CD1 ILE A 95 11.328 -14.787 -20.147 1.00 22.43 C ATOM 0 H ILE A 95 15.717 -14.677 -19.467 1.00 62.44 H new ATOM 0 HA ILE A 95 13.175 -15.722 -18.410 1.00 71.32 H new ATOM 0 HB ILE A 95 14.338 -16.140 -21.197 1.00 20.44 H new ATOM 0 HG12 ILE A 95 13.170 -13.983 -20.861 1.00 23.14 H new ATOM 0 HG13 ILE A 95 12.351 -15.029 -22.003 1.00 23.14 H new ATOM 0 HG21 ILE A 95 12.352 -17.540 -21.602 1.00 43.33 H new ATOM 0 HG22 ILE A 95 13.379 -18.214 -20.314 1.00 43.33 H new ATOM 0 HG23 ILE A 95 11.877 -17.355 -19.897 1.00 43.33 H new ATOM 0 HD11 ILE A 95 10.750 -13.937 -20.510 1.00 22.43 H new ATOM 0 HD12 ILE A 95 10.741 -15.699 -20.256 1.00 22.43 H new ATOM 0 HD13 ILE A 95 11.573 -14.636 -19.096 1.00 22.43 H new ATOM 1444 N GLY A 96 14.280 -17.848 -17.741 1.00 63.24 N ATOM 1445 CA GLY A 96 14.971 -19.031 -17.261 1.00 52.22 C ATOM 1446 C GLY A 96 16.274 -18.698 -16.562 1.00 51.42 C ATOM 1447 O GLY A 96 16.779 -17.581 -16.675 1.00 3.33 O ATOM 0 H GLY A 96 13.363 -17.688 -17.323 1.00 63.24 H new ATOM 0 HA2 GLY A 96 14.322 -19.573 -16.574 1.00 52.22 H new ATOM 0 HA3 GLY A 96 15.172 -19.696 -18.101 1.00 52.22 H new ATOM 1451 N VAL A 97 16.819 -19.668 -15.836 1.00 63.42 N ATOM 1452 CA VAL A 97 18.072 -19.473 -15.117 1.00 22.05 C ATOM 1453 C VAL A 97 19.053 -20.605 -15.403 1.00 14.13 C ATOM 1454 O VAL A 97 18.665 -21.769 -15.488 1.00 71.35 O ATOM 1455 CB VAL A 97 17.838 -19.383 -13.597 1.00 24.12 C ATOM 1456 CG1 VAL A 97 17.046 -18.132 -13.251 1.00 54.35 C ATOM 1457 CG2 VAL A 97 17.128 -20.630 -13.093 1.00 21.33 C ATOM 0 H VAL A 97 16.412 -20.597 -15.730 1.00 63.42 H new ATOM 0 HA VAL A 97 18.496 -18.532 -15.469 1.00 22.05 H new ATOM 0 HB VAL A 97 18.807 -19.319 -13.101 1.00 24.12 H new ATOM 0 HG11 VAL A 97 16.891 -18.086 -12.173 1.00 54.35 H new ATOM 0 HG12 VAL A 97 17.598 -17.250 -13.576 1.00 54.35 H new ATOM 0 HG13 VAL A 97 16.080 -18.162 -13.756 1.00 54.35 H new ATOM 0 HG21 VAL A 97 16.971 -20.550 -12.017 1.00 21.33 H new ATOM 0 HG22 VAL A 97 16.165 -20.728 -13.594 1.00 21.33 H new ATOM 0 HG23 VAL A 97 17.739 -21.507 -13.306 1.00 21.33 H new ATOM 1467 N GLY A 98 20.327 -20.254 -15.549 1.00 72.24 N ATOM 1468 CA GLY A 98 21.344 -21.252 -15.824 1.00 20.22 C ATOM 1469 C GLY A 98 22.629 -20.642 -16.348 1.00 13.31 C ATOM 1470 O GLY A 98 22.914 -19.472 -16.097 1.00 3.53 O ATOM 0 H GLY A 98 20.673 -19.297 -15.482 1.00 72.24 H new ATOM 0 HA2 GLY A 98 21.556 -21.811 -14.912 1.00 20.22 H new ATOM 0 HA3 GLY A 98 20.960 -21.966 -16.553 1.00 20.22 H new ATOM 1474 N GLU A 99 23.406 -21.437 -17.077 1.00 14.21 N ATOM 1475 CA GLU A 99 24.669 -20.968 -17.634 1.00 1.24 C ATOM 1476 C GLU A 99 24.445 -20.245 -18.959 1.00 31.31 C ATOM 1477 O GLU A 99 25.167 -19.307 -19.298 1.00 34.20 O ATOM 1478 CB GLU A 99 25.630 -22.141 -17.836 1.00 73.51 C ATOM 1479 CG GLU A 99 25.234 -23.062 -18.978 1.00 51.24 C ATOM 1480 CD GLU A 99 25.923 -24.411 -18.907 1.00 1.45 C ATOM 1481 OE1 GLU A 99 26.889 -24.541 -18.126 1.00 64.51 O ATOM 1482 OE2 GLU A 99 25.497 -25.335 -19.630 1.00 51.31 O ATOM 0 H GLU A 99 23.183 -22.408 -17.295 1.00 14.21 H new ATOM 0 HA GLU A 99 25.109 -20.265 -16.927 1.00 1.24 H new ATOM 0 HB2 GLU A 99 26.631 -21.752 -18.024 1.00 73.51 H new ATOM 0 HB3 GLU A 99 25.682 -22.720 -16.914 1.00 73.51 H new ATOM 0 HG2 GLU A 99 24.154 -23.209 -18.963 1.00 51.24 H new ATOM 0 HG3 GLU A 99 25.478 -22.584 -19.927 1.00 51.24 H new ATOM 1489 N LYS A 100 23.439 -20.690 -19.705 1.00 44.43 N ATOM 1490 CA LYS A 100 23.117 -20.086 -20.993 1.00 20.20 C ATOM 1491 C LYS A 100 22.030 -19.027 -20.841 1.00 3.25 C ATOM 1492 O LYS A 100 21.186 -18.857 -21.720 1.00 71.44 O ATOM 1493 CB LYS A 100 22.662 -21.161 -21.983 1.00 55.50 C ATOM 1494 CG LYS A 100 23.807 -21.949 -22.595 1.00 52.50 C ATOM 1495 CD LYS A 100 23.672 -23.436 -22.316 1.00 72.11 C ATOM 1496 CE LYS A 100 24.178 -24.270 -23.483 1.00 21.10 C ATOM 1497 NZ LYS A 100 23.256 -25.395 -23.802 1.00 50.02 N ATOM 0 H LYS A 100 22.833 -21.466 -19.440 1.00 44.43 H new ATOM 0 HA LYS A 100 24.017 -19.605 -21.376 1.00 20.20 H new ATOM 0 HB2 LYS A 100 21.989 -21.851 -21.473 1.00 55.50 H new ATOM 0 HB3 LYS A 100 22.090 -20.689 -22.781 1.00 55.50 H new ATOM 0 HG2 LYS A 100 23.831 -21.781 -23.672 1.00 52.50 H new ATOM 0 HG3 LYS A 100 24.754 -21.587 -22.194 1.00 52.50 H new ATOM 0 HD2 LYS A 100 24.231 -23.691 -21.416 1.00 72.11 H new ATOM 0 HD3 LYS A 100 22.627 -23.677 -22.121 1.00 72.11 H new ATOM 0 HE2 LYS A 100 24.292 -23.634 -24.361 1.00 21.10 H new ATOM 0 HE3 LYS A 100 25.165 -24.666 -23.245 1.00 21.10 H new ATOM 0 HZ1 LYS A 100 23.636 -25.939 -24.603 1.00 50.02 H new ATOM 0 HZ2 LYS A 100 23.166 -26.016 -22.973 1.00 50.02 H new ATOM 0 HZ3 LYS A 100 22.321 -25.017 -24.054 1.00 50.02 H new ATOM 1511 N LYS A 101 22.058 -18.315 -19.719 1.00 53.31 N ATOM 1512 CA LYS A 101 21.077 -17.270 -19.452 1.00 11.53 C ATOM 1513 C LYS A 101 20.957 -16.319 -20.639 1.00 34.51 C ATOM 1514 O LYS A 101 21.797 -16.327 -21.539 1.00 73.12 O ATOM 1515 CB LYS A 101 21.465 -16.486 -18.196 1.00 22.45 C ATOM 1516 CG LYS A 101 21.250 -17.260 -16.906 1.00 1.50 C ATOM 1517 CD LYS A 101 20.193 -16.604 -16.033 1.00 22.53 C ATOM 1518 CE LYS A 101 20.648 -15.240 -15.536 1.00 75.42 C ATOM 1519 NZ LYS A 101 21.823 -15.344 -14.628 1.00 61.00 N ATOM 0 H LYS A 101 22.750 -18.443 -18.980 1.00 53.31 H new ATOM 0 HA LYS A 101 20.110 -17.748 -19.292 1.00 11.53 H new ATOM 0 HB2 LYS A 101 22.514 -16.198 -18.267 1.00 22.45 H new ATOM 0 HB3 LYS A 101 20.884 -15.565 -18.159 1.00 22.45 H new ATOM 0 HG2 LYS A 101 20.948 -18.281 -17.139 1.00 1.50 H new ATOM 0 HG3 LYS A 101 22.190 -17.322 -16.357 1.00 1.50 H new ATOM 0 HD2 LYS A 101 19.268 -16.496 -16.599 1.00 22.53 H new ATOM 0 HD3 LYS A 101 19.972 -17.248 -15.181 1.00 22.53 H new ATOM 0 HE2 LYS A 101 20.902 -14.609 -16.388 1.00 75.42 H new ATOM 0 HE3 LYS A 101 19.826 -14.752 -15.012 1.00 75.42 H new ATOM 0 HZ1 LYS A 101 21.956 -14.442 -14.128 1.00 61.00 H new ATOM 0 HZ2 LYS A 101 21.661 -16.103 -13.936 1.00 61.00 H new ATOM 0 HZ3 LYS A 101 22.674 -15.560 -15.185 1.00 61.00 H new ATOM 1533 N ILE A 102 19.909 -15.502 -20.633 1.00 72.43 N ATOM 1534 CA ILE A 102 19.682 -14.544 -21.708 1.00 60.42 C ATOM 1535 C ILE A 102 19.237 -13.194 -21.156 1.00 74.44 C ATOM 1536 O ILE A 102 18.525 -13.125 -20.154 1.00 13.51 O ATOM 1537 CB ILE A 102 18.623 -15.055 -22.703 1.00 14.32 C ATOM 1538 CG1 ILE A 102 17.247 -15.105 -22.035 1.00 31.00 C ATOM 1539 CG2 ILE A 102 19.011 -16.427 -23.232 1.00 72.14 C ATOM 1540 CD1 ILE A 102 16.148 -15.594 -22.952 1.00 14.01 C ATOM 0 H ILE A 102 19.204 -15.484 -19.896 1.00 72.43 H new ATOM 0 HA ILE A 102 20.631 -14.425 -22.231 1.00 60.42 H new ATOM 0 HB ILE A 102 18.573 -14.364 -23.545 1.00 14.32 H new ATOM 0 HG12 ILE A 102 17.299 -15.757 -21.163 1.00 31.00 H new ATOM 0 HG13 ILE A 102 16.991 -14.109 -21.673 1.00 31.00 H new ATOM 0 HG21 ILE A 102 18.253 -16.774 -23.934 1.00 72.14 H new ATOM 0 HG22 ILE A 102 19.973 -16.362 -23.740 1.00 72.14 H new ATOM 0 HG23 ILE A 102 19.086 -17.129 -22.402 1.00 72.14 H new ATOM 0 HD11 ILE A 102 15.201 -15.604 -22.412 1.00 14.01 H new ATOM 0 HD12 ILE A 102 16.069 -14.929 -23.812 1.00 14.01 H new ATOM 0 HD13 ILE A 102 16.381 -16.602 -23.294 1.00 14.01 H new ATOM 1552 N THR A 103 19.659 -12.122 -21.819 1.00 0.12 N ATOM 1553 CA THR A 103 19.303 -10.773 -21.397 1.00 35.33 C ATOM 1554 C THR A 103 19.077 -9.863 -22.598 1.00 45.51 C ATOM 1555 O THR A 103 19.555 -10.140 -23.699 1.00 21.43 O ATOM 1556 CB THR A 103 20.393 -10.159 -20.498 1.00 73.24 C ATOM 1557 OG1 THR A 103 21.686 -10.398 -21.065 1.00 1.22 O ATOM 1558 CG2 THR A 103 20.332 -10.745 -19.096 1.00 32.21 C ATOM 0 H THR A 103 20.248 -12.162 -22.651 1.00 0.12 H new ATOM 0 HA THR A 103 18.377 -10.854 -20.828 1.00 35.33 H new ATOM 0 HB THR A 103 20.218 -9.085 -20.433 1.00 73.24 H new ATOM 0 HG1 THR A 103 22.374 -10.003 -20.489 1.00 1.22 H new ATOM 0 HG21 THR A 103 21.111 -10.296 -18.480 1.00 32.21 H new ATOM 0 HG22 THR A 103 19.357 -10.536 -18.657 1.00 32.21 H new ATOM 0 HG23 THR A 103 20.485 -11.823 -19.145 1.00 32.21 H new ATOM 1566 N HIS A 104 18.348 -8.773 -22.381 1.00 12.15 N ATOM 1567 CA HIS A 104 18.062 -7.819 -23.446 1.00 53.02 C ATOM 1568 C HIS A 104 17.773 -6.435 -22.873 1.00 54.22 C ATOM 1569 O HIS A 104 16.879 -6.270 -22.042 1.00 52.01 O ATOM 1570 CB HIS A 104 16.873 -8.296 -24.281 1.00 64.44 C ATOM 1571 CG HIS A 104 16.448 -7.318 -25.333 1.00 4.14 C ATOM 1572 ND1 HIS A 104 17.213 -7.027 -26.443 1.00 14.42 N ATOM 1573 CD2 HIS A 104 15.330 -6.563 -25.439 1.00 72.11 C ATOM 1574 CE1 HIS A 104 16.583 -6.134 -27.186 1.00 4.32 C ATOM 1575 NE2 HIS A 104 15.438 -5.836 -26.599 1.00 61.11 N ATOM 0 H HIS A 104 17.944 -8.529 -21.477 1.00 12.15 H new ATOM 0 HA HIS A 104 18.942 -7.752 -24.085 1.00 53.02 H new ATOM 0 HB2 HIS A 104 17.131 -9.241 -24.759 1.00 64.44 H new ATOM 0 HB3 HIS A 104 16.030 -8.493 -23.618 1.00 64.44 H new ATOM 0 HD2 HIS A 104 14.506 -6.537 -24.741 1.00 72.11 H new ATOM 0 HE1 HIS A 104 16.943 -5.718 -28.115 1.00 4.32 H new ATOM 0 HE2 HIS A 104 14.746 -5.174 -26.950 1.00 61.11 H new ATOM 1583 N HIS A 105 18.535 -5.443 -23.322 1.00 51.41 N ATOM 1584 CA HIS A 105 18.361 -4.073 -22.853 1.00 0.42 C ATOM 1585 C HIS A 105 16.992 -3.531 -23.253 1.00 11.14 C ATOM 1586 O HIS A 105 16.628 -3.544 -24.429 1.00 30.24 O ATOM 1587 CB HIS A 105 19.462 -3.174 -23.417 1.00 23.32 C ATOM 1588 CG HIS A 105 19.373 -1.753 -22.952 1.00 72.32 C ATOM 1589 ND1 HIS A 105 19.369 -0.678 -23.816 1.00 24.15 N ATOM 1590 CD2 HIS A 105 19.281 -1.233 -21.706 1.00 23.52 C ATOM 1591 CE1 HIS A 105 19.281 0.442 -23.120 1.00 65.32 C ATOM 1592 NE2 HIS A 105 19.226 0.132 -21.837 1.00 41.33 N ATOM 0 H HIS A 105 19.279 -5.562 -24.010 1.00 51.41 H new ATOM 0 HA HIS A 105 18.427 -4.077 -21.765 1.00 0.42 H new ATOM 0 HB2 HIS A 105 20.433 -3.580 -23.133 1.00 23.32 H new ATOM 0 HB3 HIS A 105 19.414 -3.195 -24.506 1.00 23.32 H new ATOM 0 HD2 HIS A 105 19.256 -1.789 -20.780 1.00 23.52 H new ATOM 0 HE1 HIS A 105 19.258 1.441 -23.530 1.00 65.32 H new ATOM 0 HE2 HIS A 105 19.154 0.799 -21.069 1.00 41.33 H new ATOM 1600 N TRP A 106 16.238 -3.057 -22.267 1.00 43.44 N ATOM 1601 CA TRP A 106 14.909 -2.510 -22.517 1.00 62.22 C ATOM 1602 C TRP A 106 14.810 -1.071 -22.022 1.00 63.55 C ATOM 1603 O TRP A 106 15.188 -0.766 -20.891 1.00 25.41 O ATOM 1604 CB TRP A 106 13.845 -3.371 -21.835 1.00 71.42 C ATOM 1605 CG TRP A 106 12.472 -2.772 -21.889 1.00 21.31 C ATOM 1606 CD1 TRP A 106 11.606 -2.614 -20.845 1.00 54.22 C ATOM 1607 CD2 TRP A 106 11.808 -2.254 -23.047 1.00 31.24 C ATOM 1608 NE1 TRP A 106 10.443 -2.028 -21.284 1.00 73.25 N ATOM 1609 CE2 TRP A 106 10.542 -1.797 -22.631 1.00 1.21 C ATOM 1610 CE3 TRP A 106 12.160 -2.130 -24.393 1.00 51.02 C ATOM 1611 CZ2 TRP A 106 9.630 -1.227 -23.515 1.00 33.01 C ATOM 1612 CZ3 TRP A 106 11.253 -1.565 -25.269 1.00 41.53 C ATOM 1613 CH2 TRP A 106 10.001 -1.118 -24.828 1.00 34.05 C ATOM 0 H TRP A 106 16.524 -3.040 -21.288 1.00 43.44 H new ATOM 0 HA TRP A 106 14.737 -2.516 -23.593 1.00 62.22 H new ATOM 0 HB2 TRP A 106 13.824 -4.353 -22.308 1.00 71.42 H new ATOM 0 HB3 TRP A 106 14.126 -3.525 -20.793 1.00 71.42 H new ATOM 0 HD1 TRP A 106 11.806 -2.906 -19.825 1.00 54.22 H new ATOM 0 HE1 TRP A 106 9.637 -1.802 -20.702 1.00 73.25 H new ATOM 0 HE3 TRP A 106 13.124 -2.470 -24.743 1.00 51.02 H new ATOM 0 HZ2 TRP A 106 8.664 -0.883 -23.177 1.00 33.01 H new ATOM 0 HZ3 TRP A 106 11.514 -1.466 -26.312 1.00 41.53 H new ATOM 0 HH2 TRP A 106 9.315 -0.679 -25.538 1.00 34.05 H new ATOM 1624 N HIS A 107 14.300 -0.190 -22.877 1.00 33.14 N ATOM 1625 CA HIS A 107 14.151 1.218 -22.525 1.00 34.52 C ATOM 1626 C HIS A 107 12.890 1.804 -23.152 1.00 75.24 C ATOM 1627 O HIS A 107 12.498 1.422 -24.255 1.00 63.44 O ATOM 1628 CB HIS A 107 15.376 2.011 -22.978 1.00 63.04 C ATOM 1629 CG HIS A 107 15.279 3.478 -22.694 1.00 1.24 C ATOM 1630 ND1 HIS A 107 15.387 4.444 -23.672 1.00 74.53 N ATOM 1631 CD2 HIS A 107 15.081 4.143 -21.531 1.00 43.24 C ATOM 1632 CE1 HIS A 107 15.261 5.639 -23.124 1.00 70.12 C ATOM 1633 NE2 HIS A 107 15.074 5.484 -21.826 1.00 3.42 N ATOM 0 H HIS A 107 13.983 -0.426 -23.817 1.00 33.14 H new ATOM 0 HA HIS A 107 14.063 1.289 -21.441 1.00 34.52 H new ATOM 0 HB2 HIS A 107 16.261 1.611 -22.483 1.00 63.04 H new ATOM 0 HB3 HIS A 107 15.517 1.865 -24.049 1.00 63.04 H new ATOM 0 HD2 HIS A 107 14.953 3.701 -20.554 1.00 43.24 H new ATOM 0 HE1 HIS A 107 15.304 6.582 -23.648 1.00 70.12 H new ATOM 0 HE2 HIS A 107 14.945 6.238 -21.152 1.00 3.42 H new ATOM 1641 N ARG A 108 12.258 2.733 -22.442 1.00 72.33 N ATOM 1642 CA ARG A 108 11.041 3.371 -22.930 1.00 31.23 C ATOM 1643 C ARG A 108 11.372 4.515 -23.883 1.00 14.40 C ATOM 1644 O ARG A 108 12.426 5.141 -23.776 1.00 24.24 O ATOM 1645 CB ARG A 108 10.209 3.894 -21.757 1.00 70.52 C ATOM 1646 CG ARG A 108 10.904 4.981 -20.954 1.00 61.31 C ATOM 1647 CD ARG A 108 9.901 5.901 -20.276 1.00 74.53 C ATOM 1648 NE ARG A 108 9.155 6.704 -21.242 1.00 21.51 N ATOM 1649 CZ ARG A 108 8.480 7.801 -20.919 1.00 45.55 C ATOM 1650 NH1 ARG A 108 8.458 8.225 -19.663 1.00 43.03 N ATOM 1651 NH2 ARG A 108 7.827 8.479 -21.855 1.00 34.52 N ATOM 0 H ARG A 108 12.568 3.061 -21.527 1.00 72.33 H new ATOM 0 HA ARG A 108 10.462 2.625 -23.473 1.00 31.23 H new ATOM 0 HB2 ARG A 108 9.264 4.283 -22.137 1.00 70.52 H new ATOM 0 HB3 ARG A 108 9.968 3.063 -21.095 1.00 70.52 H new ATOM 0 HG2 ARG A 108 11.547 4.524 -20.201 1.00 61.31 H new ATOM 0 HG3 ARG A 108 11.548 5.565 -21.611 1.00 61.31 H new ATOM 0 HD2 ARG A 108 9.205 5.306 -19.685 1.00 74.53 H new ATOM 0 HD3 ARG A 108 10.424 6.560 -19.584 1.00 74.53 H new ATOM 0 HE ARG A 108 9.153 6.406 -22.217 1.00 21.51 H new ATOM 0 HH11 ARG A 108 8.961 7.708 -18.941 1.00 43.03 H new ATOM 0 HH12 ARG A 108 7.939 9.068 -19.418 1.00 43.03 H new ATOM 0 HH21 ARG A 108 7.844 8.157 -22.823 1.00 34.52 H new ATOM 0 HH22 ARG A 108 7.309 9.322 -21.606 1.00 34.52 H new