USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 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 106 CYS SG : rot 54:sc= -2.5! USER MOD Set 1.2: A 133 GLN :FLIP amide:sc= -3.14! C(o=-7.3!,f=-5.6!) USER MOD Set 2.1: A 73 THR OG1 : rot -78:sc= 0.586 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.974 K(o=-0.39,f=-0.95) USER MOD Set 3.1: A 57 THR OG1 : rot 95:sc= 0.26 USER MOD Set 3.2: A 128 HIS : no HD1:sc= -3.62 X(o=-3.4,f=-3.3) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -147:sc= -8.56! (180deg=-11.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.758 F(o=-1.4!,f=-0.76) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0439 (180deg=-0.24) USER MOD Single : A 52 THR OG1 : rot -82:sc= 0.401 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.08! C(o=-1.1!,f=-6.6!) USER MOD Single : A 61 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.16) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.51! C(o=-11!,f=-9.5!) USER MOD Single : A 75 THR OG1 : rot -29:sc= 1.19 USER MOD Single : A 82 MET CE :methyl 176:sc= -1.01 (180deg=-1.02) USER MOD Single : A 86 ASN : amide:sc= -0.967 X(o=-0.97,f=-0.64) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0415 (180deg=-0.309) USER MOD Single : A 96 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.44) USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= -0.0794 (180deg=-1.31) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -119:sc= -2.38 (180deg=-3.06!) USER MOD Single : A 101 SER OG : rot -4:sc= 0.596 USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= -0.433 (180deg=-0.469) USER MOD Single : A 112 CYS SG : rot 104:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.307 -1.765 2.438 1.00 0.41 N ATOM 224 CA MET A 44 -12.508 -1.558 3.635 1.00 0.41 C ATOM 225 C MET A 44 -11.243 -0.753 3.339 1.00 0.31 C ATOM 226 O MET A 44 -10.992 0.238 4.002 1.00 0.28 O ATOM 227 CB MET A 44 -12.186 -2.898 4.286 1.00 0.50 C ATOM 228 CG MET A 44 -13.420 -3.530 4.899 1.00 0.82 C ATOM 229 SD MET A 44 -13.141 -5.166 5.584 1.00 1.59 S ATOM 230 CE MET A 44 -14.837 -5.598 5.960 1.00 1.62 C ATOM 0 HA MET A 44 -13.093 -0.967 4.340 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.762 -3.572 3.542 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.428 -2.756 5.056 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.796 -2.877 5.687 1.00 0.82 H new ATOM 0 HG3 MET A 44 -14.198 -3.594 4.139 1.00 0.82 H new ATOM 0 HE1 MET A 44 -14.870 -6.595 6.400 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.248 -4.876 6.666 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.427 -5.586 5.044 1.00 1.62 H new ATOM 240 N MET A 45 -10.450 -1.155 2.346 1.00 0.28 N ATOM 241 CA MET A 45 -9.288 -0.344 1.961 1.00 0.22 C ATOM 242 C MET A 45 -9.735 0.955 1.306 1.00 0.20 C ATOM 243 O MET A 45 -9.078 1.979 1.441 1.00 0.20 O ATOM 244 CB MET A 45 -8.334 -1.086 1.020 1.00 0.24 C ATOM 245 CG MET A 45 -8.942 -1.443 -0.319 1.00 0.32 C ATOM 246 SD MET A 45 -7.909 -2.549 -1.291 1.00 0.98 S ATOM 247 CE MET A 45 -6.482 -1.512 -1.556 1.00 0.22 C ATOM 0 H MET A 45 -10.581 -2.010 1.806 1.00 0.28 H new ATOM 0 HA MET A 45 -8.745 -0.129 2.881 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.451 -0.468 0.853 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.996 -2.000 1.509 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.913 -1.911 -0.157 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.119 -0.529 -0.886 1.00 0.32 H new ATOM 0 HE1 MET A 45 -6.046 -1.735 -2.530 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.782 -0.465 -1.524 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.744 -1.702 -0.776 1.00 0.22 H new ATOM 257 N SER A 46 -10.840 0.912 0.586 1.00 0.24 N ATOM 258 CA SER A 46 -11.388 2.114 -0.012 1.00 0.30 C ATOM 259 C SER A 46 -11.633 3.175 1.063 1.00 0.27 C ATOM 260 O SER A 46 -11.245 4.333 0.905 1.00 0.30 O ATOM 261 CB SER A 46 -12.675 1.783 -0.767 1.00 0.39 C ATOM 262 OG SER A 46 -13.158 2.903 -1.492 1.00 0.53 O ATOM 0 H SER A 46 -11.373 0.062 0.402 1.00 0.24 H new ATOM 0 HA SER A 46 -10.670 2.519 -0.726 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.493 0.956 -1.453 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.436 1.450 -0.061 1.00 0.39 H new ATOM 0 HG SER A 46 -13.981 2.657 -1.964 1.00 0.53 H new ATOM 268 N GLN A 47 -12.281 2.786 2.154 1.00 0.25 N ATOM 269 CA GLN A 47 -12.483 3.701 3.264 1.00 0.27 C ATOM 270 C GLN A 47 -11.212 3.877 4.109 1.00 0.24 C ATOM 271 O GLN A 47 -10.811 5.002 4.389 1.00 0.29 O ATOM 272 CB GLN A 47 -13.671 3.273 4.141 1.00 0.30 C ATOM 273 CG GLN A 47 -13.513 1.915 4.807 1.00 0.33 C ATOM 274 CD GLN A 47 -14.678 1.565 5.710 1.00 0.43 C ATOM 275 OE1 GLN A 47 -14.960 0.279 5.843 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -15.319 2.443 6.286 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.671 1.853 2.291 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.720 4.672 2.828 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.824 4.026 4.914 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.572 3.259 3.527 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.411 1.148 4.039 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.592 1.906 5.390 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.070 3.424 6.157 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.099 2.190 6.892 1.00 1.11 H new ATOM 285 N ALA A 48 -10.586 2.773 4.522 1.00 0.21 N ATOM 286 CA ALA A 48 -9.442 2.839 5.430 1.00 0.22 C ATOM 287 C ALA A 48 -8.184 3.334 4.739 1.00 0.20 C ATOM 288 O ALA A 48 -7.610 4.322 5.171 1.00 0.22 O ATOM 289 CB ALA A 48 -9.171 1.489 6.080 1.00 0.24 C ATOM 0 H ALA A 48 -10.851 1.828 4.243 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.709 3.560 6.203 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.314 1.573 6.749 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.047 1.177 6.649 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -8.958 0.750 5.308 1.00 0.24 H new ATOM 295 N LEU A 49 -7.772 2.691 3.646 1.00 0.18 N ATOM 296 CA LEU A 49 -6.495 3.009 3.011 1.00 0.18 C ATOM 297 C LEU A 49 -6.509 4.396 2.430 1.00 0.19 C ATOM 298 O LEU A 49 -5.659 5.224 2.741 1.00 0.21 O ATOM 299 CB LEU A 49 -6.185 2.039 1.871 1.00 0.23 C ATOM 300 CG LEU A 49 -5.076 1.038 2.137 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.735 0.342 0.843 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.843 1.704 2.739 1.00 0.58 C ATOM 0 H LEU A 49 -8.301 1.951 3.185 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.736 2.931 3.789 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.095 1.489 1.630 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.920 2.620 0.987 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.424 0.310 2.869 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.939 -0.381 1.018 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.617 -0.174 0.464 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.402 1.078 0.111 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.073 0.953 2.914 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.464 2.459 2.050 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.110 2.177 3.684 1.00 0.58 H new ATOM 314 N LYS A 50 -7.472 4.634 1.567 1.00 0.19 N ATOM 315 CA LYS A 50 -7.510 5.861 0.809 1.00 0.21 C ATOM 316 C LYS A 50 -7.589 7.079 1.739 1.00 0.23 C ATOM 317 O LYS A 50 -7.098 8.160 1.415 1.00 0.27 O ATOM 318 CB LYS A 50 -8.671 5.824 -0.181 1.00 0.22 C ATOM 319 CG LYS A 50 -8.717 4.530 -0.992 1.00 0.20 C ATOM 320 CD LYS A 50 -7.436 4.291 -1.796 1.00 0.21 C ATOM 321 CE LYS A 50 -7.206 5.382 -2.835 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.361 5.523 -3.760 1.00 0.55 N ATOM 0 H LYS A 50 -8.240 3.991 1.374 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.585 5.956 0.241 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.609 5.941 0.362 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.589 6.671 -0.862 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.880 3.689 -0.318 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.568 4.563 -1.673 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.584 4.250 -1.118 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.495 3.323 -2.293 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.028 6.332 -2.330 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.308 5.153 -3.409 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -8.085 6.108 -4.574 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.655 4.583 -4.094 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -9.153 5.976 -3.260 1.00 0.55 H new ATOM 336 N ALA A 51 -8.209 6.884 2.899 1.00 0.22 N ATOM 337 CA ALA A 51 -8.237 7.903 3.941 1.00 0.23 C ATOM 338 C ALA A 51 -6.926 7.941 4.734 1.00 0.23 C ATOM 339 O ALA A 51 -6.391 9.013 5.015 1.00 0.26 O ATOM 340 CB ALA A 51 -9.411 7.674 4.879 1.00 0.25 C ATOM 0 H ALA A 51 -8.701 6.024 3.141 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.357 8.869 3.450 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.416 8.444 5.650 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.342 7.720 4.314 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.318 6.693 5.346 1.00 0.25 H new ATOM 346 N THR A 52 -6.406 6.760 5.069 1.00 0.21 N ATOM 347 CA THR A 52 -5.289 6.632 6.007 1.00 0.22 C ATOM 348 C THR A 52 -3.969 7.125 5.426 1.00 0.21 C ATOM 349 O THR A 52 -3.016 7.334 6.167 1.00 0.23 O ATOM 350 CB THR A 52 -5.111 5.161 6.465 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.242 5.091 7.602 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.535 4.299 5.346 1.00 0.18 C ATOM 0 H THR A 52 -6.744 5.871 4.701 1.00 0.21 H new ATOM 0 HA THR A 52 -5.545 7.262 6.859 1.00 0.22 H new ATOM 0 HB THR A 52 -6.097 4.781 6.732 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.309 5.109 7.302 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.422 3.274 5.698 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.209 4.316 4.490 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.562 4.690 5.050 1.00 0.18 H new ATOM 360 N PHE A 53 -3.923 7.332 4.113 1.00 0.23 N ATOM 361 CA PHE A 53 -2.665 7.608 3.417 1.00 0.27 C ATOM 362 C PHE A 53 -1.852 8.717 4.067 1.00 0.32 C ATOM 363 O PHE A 53 -0.620 8.683 4.041 1.00 0.34 O ATOM 364 CB PHE A 53 -2.912 7.968 1.957 1.00 0.31 C ATOM 365 CG PHE A 53 -3.402 6.825 1.132 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.916 5.554 1.342 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.361 7.020 0.155 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.376 4.495 0.593 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.828 5.963 -0.597 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.293 4.706 -0.416 1.00 0.38 C ATOM 0 H PHE A 53 -4.743 7.314 3.506 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.087 6.686 3.483 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.641 8.777 1.910 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.986 8.347 1.524 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.167 5.387 2.102 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.749 8.012 -0.021 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -3.018 3.496 0.796 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.610 6.120 -1.325 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.590 3.891 -1.060 1.00 0.38 H new ATOM 380 N SER A 54 -2.538 9.682 4.654 1.00 0.36 N ATOM 381 CA SER A 54 -1.880 10.810 5.283 1.00 0.44 C ATOM 382 C SER A 54 -1.004 10.357 6.453 1.00 0.39 C ATOM 383 O SER A 54 -0.086 11.060 6.842 1.00 0.46 O ATOM 384 CB SER A 54 -2.928 11.820 5.750 1.00 0.55 C ATOM 385 OG SER A 54 -3.768 12.206 4.672 1.00 1.37 O ATOM 0 H SER A 54 -3.556 9.705 4.707 1.00 0.36 H new ATOM 0 HA SER A 54 -1.227 11.286 4.551 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.529 11.385 6.548 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.434 12.698 6.165 1.00 0.55 H new ATOM 0 HG SER A 54 -4.433 12.851 4.991 1.00 1.37 H new ATOM 391 N GLY A 55 -1.297 9.183 7.005 1.00 0.31 N ATOM 392 CA GLY A 55 -0.508 8.638 8.096 1.00 0.28 C ATOM 393 C GLY A 55 0.970 8.476 7.766 1.00 0.22 C ATOM 394 O GLY A 55 1.817 9.151 8.353 1.00 0.25 O ATOM 0 H GLY A 55 -2.076 8.594 6.712 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.607 9.289 8.964 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.916 7.667 8.377 1.00 0.28 H new ATOM 398 N PHE A 56 1.289 7.588 6.830 1.00 0.15 N ATOM 399 CA PHE A 56 2.688 7.311 6.508 1.00 0.12 C ATOM 400 C PHE A 56 3.285 8.426 5.681 1.00 0.13 C ATOM 401 O PHE A 56 4.394 8.851 5.930 1.00 0.17 O ATOM 402 CB PHE A 56 2.859 5.993 5.756 1.00 0.13 C ATOM 403 CG PHE A 56 4.299 5.663 5.484 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.065 5.008 6.434 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.890 6.024 4.286 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.395 4.727 6.196 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.218 5.744 4.042 1.00 0.26 C ATOM 408 CZ PHE A 56 6.973 5.093 4.997 1.00 0.28 C ATOM 0 H PHE A 56 0.611 7.054 6.287 1.00 0.15 H new ATOM 0 HA PHE A 56 3.211 7.236 7.461 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.409 5.187 6.336 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.318 6.046 4.811 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.616 4.714 7.371 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.304 6.531 3.533 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.983 4.221 6.947 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.667 6.034 3.104 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.013 4.871 4.807 1.00 0.28 H new ATOM 418 N THR A 57 2.529 8.907 4.716 1.00 0.16 N ATOM 419 CA THR A 57 3.012 9.940 3.798 1.00 0.24 C ATOM 420 C THR A 57 3.384 11.223 4.559 1.00 0.26 C ATOM 421 O THR A 57 4.187 12.037 4.098 1.00 0.35 O ATOM 422 CB THR A 57 1.945 10.239 2.739 1.00 0.32 C ATOM 423 OG1 THR A 57 1.624 9.025 2.035 1.00 0.39 O ATOM 424 CG2 THR A 57 2.414 11.292 1.742 1.00 0.46 C ATOM 0 H THR A 57 1.572 8.603 4.539 1.00 0.16 H new ATOM 0 HA THR A 57 3.910 9.569 3.304 1.00 0.24 H new ATOM 0 HB THR A 57 1.065 10.631 3.249 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.834 8.611 2.441 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.628 11.474 1.009 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.639 12.218 2.270 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.310 10.937 1.233 1.00 0.46 H new ATOM 432 N LYS A 58 2.827 11.354 5.754 1.00 0.24 N ATOM 433 CA LYS A 58 3.128 12.482 6.635 1.00 0.31 C ATOM 434 C LYS A 58 4.489 12.278 7.278 1.00 0.29 C ATOM 435 O LYS A 58 5.344 13.166 7.269 1.00 0.31 O ATOM 436 CB LYS A 58 2.075 12.589 7.730 1.00 0.39 C ATOM 437 CG LYS A 58 2.286 13.724 8.717 1.00 0.50 C ATOM 438 CD LYS A 58 1.443 13.506 9.963 1.00 1.34 C ATOM 439 CE LYS A 58 -0.014 13.261 9.607 1.00 1.93 C ATOM 440 NZ LYS A 58 -0.780 12.707 10.751 1.00 2.52 N ATOM 0 H LYS A 58 2.158 10.689 6.142 1.00 0.24 H new ATOM 0 HA LYS A 58 3.129 13.397 6.043 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.098 12.711 7.263 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.049 11.649 8.281 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.340 13.786 8.989 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.020 14.673 8.252 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.831 12.655 10.523 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.519 14.377 10.614 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -0.471 14.197 9.284 1.00 1.93 H new ATOM 0 HE3 LYS A 58 -0.070 12.571 8.765 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -1.768 12.555 10.466 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -0.361 11.801 11.044 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 -0.748 13.376 11.547 1.00 2.52 H new ATOM 454 N GLU A 59 4.691 11.077 7.806 1.00 0.26 N ATOM 455 CA GLU A 59 5.905 10.758 8.533 1.00 0.25 C ATOM 456 C GLU A 59 7.003 10.386 7.545 1.00 0.21 C ATOM 457 O GLU A 59 8.182 10.416 7.867 1.00 0.24 O ATOM 458 CB GLU A 59 5.651 9.628 9.536 1.00 0.31 C ATOM 459 CG GLU A 59 6.320 8.319 9.182 1.00 0.43 C ATOM 460 CD GLU A 59 6.101 7.270 10.248 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.831 7.279 11.260 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.172 6.450 10.096 1.00 0.97 O ATOM 0 H GLU A 59 4.024 10.308 7.742 1.00 0.26 H new ATOM 0 HA GLU A 59 6.228 11.631 9.100 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.998 9.946 10.519 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.576 9.463 9.616 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.930 7.957 8.231 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.389 8.482 9.047 1.00 0.43 H new ATOM 469 N GLN A 60 6.584 10.030 6.340 1.00 0.19 N ATOM 470 CA GLN A 60 7.485 9.776 5.230 1.00 0.19 C ATOM 471 C GLN A 60 8.350 10.998 5.031 1.00 0.22 C ATOM 472 O GLN A 60 9.568 10.916 4.955 1.00 0.23 O ATOM 473 CB GLN A 60 6.665 9.508 3.966 1.00 0.21 C ATOM 474 CG GLN A 60 7.378 8.712 2.902 1.00 0.28 C ATOM 475 CD GLN A 60 6.448 8.363 1.759 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.235 8.233 1.942 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.004 8.207 0.580 1.00 0.26 N ATOM 0 H GLN A 60 5.599 9.909 6.105 1.00 0.19 H new ATOM 0 HA GLN A 60 8.111 8.908 5.437 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.755 8.978 4.247 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.359 10.463 3.540 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.225 9.284 2.523 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.781 7.798 3.338 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.012 8.324 0.472 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.428 7.969 -0.228 1.00 0.26 H new ATOM 486 N GLN A 61 7.685 12.138 4.996 1.00 0.28 N ATOM 487 CA GLN A 61 8.360 13.424 4.906 1.00 0.34 C ATOM 488 C GLN A 61 9.276 13.628 6.111 1.00 0.34 C ATOM 489 O GLN A 61 10.400 14.114 5.985 1.00 0.37 O ATOM 490 CB GLN A 61 7.334 14.551 4.856 1.00 0.45 C ATOM 491 CG GLN A 61 6.432 14.510 3.631 1.00 0.58 C ATOM 492 CD GLN A 61 7.218 14.503 2.333 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.553 15.555 1.788 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.510 13.315 1.825 1.00 1.12 N ATOM 0 H GLN A 61 6.667 12.201 5.029 1.00 0.28 H new ATOM 0 HA GLN A 61 8.958 13.436 3.995 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.715 14.506 5.752 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.857 15.507 4.878 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.803 13.621 3.676 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.766 15.373 3.645 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.214 12.467 2.308 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.031 13.248 0.951 1.00 1.12 H new ATOM 503 N ARG A 62 8.778 13.235 7.278 1.00 0.34 N ATOM 504 CA ARG A 62 9.494 13.408 8.540 1.00 0.39 C ATOM 505 C ARG A 62 10.757 12.550 8.572 1.00 0.36 C ATOM 506 O ARG A 62 11.842 13.026 8.906 1.00 0.41 O ATOM 507 CB ARG A 62 8.571 13.030 9.702 1.00 0.44 C ATOM 508 CG ARG A 62 9.161 13.265 11.087 1.00 0.58 C ATOM 509 CD ARG A 62 9.145 14.734 11.498 1.00 1.13 C ATOM 510 NE ARG A 62 9.988 15.574 10.646 1.00 1.93 N ATOM 511 CZ ARG A 62 11.268 15.849 10.900 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.853 15.381 11.998 1.00 2.99 N ATOM 513 NH2 ARG A 62 11.955 16.622 10.070 1.00 3.73 N ATOM 0 H ARG A 62 7.867 12.787 7.378 1.00 0.34 H new ATOM 0 HA ARG A 62 9.793 14.452 8.634 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.647 13.601 9.614 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.305 11.977 9.609 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.601 12.682 11.818 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.187 12.899 11.106 1.00 0.58 H new ATOM 0 HD2 ARG A 62 8.120 15.104 11.464 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.481 14.820 12.531 1.00 1.13 H new ATOM 0 HE ARG A 62 9.571 15.974 9.806 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.322 14.807 12.653 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.832 15.596 12.185 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.504 17.005 9.239 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.934 16.833 10.263 1.00 3.73 H new ATOM 527 N LEU A 63 10.605 11.288 8.194 1.00 0.30 N ATOM 528 CA LEU A 63 11.710 10.339 8.160 1.00 0.32 C ATOM 529 C LEU A 63 12.618 10.599 6.977 1.00 0.31 C ATOM 530 O LEU A 63 13.574 9.856 6.739 1.00 0.37 O ATOM 531 CB LEU A 63 11.178 8.905 8.117 1.00 0.33 C ATOM 532 CG LEU A 63 10.358 8.477 9.339 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.851 7.054 9.173 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.186 8.601 10.609 1.00 0.65 C ATOM 0 H LEU A 63 9.711 10.893 7.902 1.00 0.30 H new ATOM 0 HA LEU A 63 12.296 10.471 9.070 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.560 8.790 7.226 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.022 8.224 8.009 1.00 0.33 H new ATOM 0 HG LEU A 63 9.498 9.141 9.422 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.271 6.769 10.051 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.220 6.994 8.286 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.698 6.377 9.062 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.587 8.293 11.466 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.066 7.963 10.533 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.499 9.637 10.739 1.00 0.65 H new ATOM 546 N GLY A 64 12.326 11.668 6.256 1.00 0.28 N ATOM 547 CA GLY A 64 13.116 12.027 5.102 1.00 0.30 C ATOM 548 C GLY A 64 13.013 10.982 4.025 1.00 0.27 C ATOM 549 O GLY A 64 13.899 10.852 3.178 1.00 0.33 O ATOM 0 H GLY A 64 11.548 12.298 6.453 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.780 12.988 4.713 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.159 12.149 5.396 1.00 0.30 H new ATOM 553 N ILE A 65 11.931 10.227 4.073 1.00 0.22 N ATOM 554 CA ILE A 65 11.702 9.182 3.116 1.00 0.20 C ATOM 555 C ILE A 65 11.156 9.791 1.829 1.00 0.21 C ATOM 556 O ILE A 65 10.188 10.556 1.861 1.00 0.23 O ATOM 557 CB ILE A 65 10.722 8.105 3.640 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.279 7.437 4.898 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.454 7.056 2.567 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.446 6.265 5.381 1.00 0.20 C ATOM 0 H ILE A 65 11.197 10.326 4.774 1.00 0.22 H new ATOM 0 HA ILE A 65 12.656 8.687 2.931 1.00 0.20 H new ATOM 0 HB ILE A 65 9.782 8.596 3.892 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.294 7.093 4.698 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.345 8.178 5.694 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.763 6.308 2.954 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.016 7.535 1.691 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.391 6.574 2.287 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.900 5.840 6.276 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.437 6.607 5.613 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.401 5.505 4.601 1.00 0.20 H new ATOM 572 N PRO A 66 11.803 9.499 0.694 1.00 0.24 N ATOM 573 CA PRO A 66 11.341 9.945 -0.624 1.00 0.27 C ATOM 574 C PRO A 66 9.857 9.648 -0.825 1.00 0.22 C ATOM 575 O PRO A 66 9.390 8.578 -0.459 1.00 0.23 O ATOM 576 CB PRO A 66 12.178 9.107 -1.583 1.00 0.35 C ATOM 577 CG PRO A 66 13.422 8.765 -0.837 1.00 0.26 C ATOM 578 CD PRO A 66 13.053 8.722 0.618 1.00 0.31 C ATOM 0 HA PRO A 66 11.451 11.020 -0.766 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.643 8.207 -1.886 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.407 9.663 -2.492 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.818 7.804 -1.165 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.199 9.508 -1.018 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.908 7.698 0.962 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.833 9.160 1.240 1.00 0.31 H new ATOM 586 N LYS A 67 9.122 10.617 -1.363 1.00 0.25 N ATOM 587 CA LYS A 67 7.681 10.478 -1.601 1.00 0.27 C ATOM 588 C LYS A 67 7.355 9.279 -2.502 1.00 0.25 C ATOM 589 O LYS A 67 6.517 8.446 -2.159 1.00 0.36 O ATOM 590 CB LYS A 67 7.150 11.753 -2.250 1.00 0.43 C ATOM 591 CG LYS A 67 5.644 11.911 -2.150 1.00 1.04 C ATOM 592 CD LYS A 67 5.110 12.822 -3.245 1.00 1.15 C ATOM 593 CE LYS A 67 5.854 14.148 -3.291 1.00 1.67 C ATOM 594 NZ LYS A 67 5.448 14.974 -4.458 1.00 2.42 N ATOM 0 H LYS A 67 9.503 11.520 -1.647 1.00 0.25 H new ATOM 0 HA LYS A 67 7.202 10.309 -0.636 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.628 12.614 -1.782 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.438 11.761 -3.301 1.00 0.43 H new ATOM 0 HG2 LYS A 67 5.168 10.933 -2.223 1.00 1.04 H new ATOM 0 HG3 LYS A 67 5.383 12.320 -1.174 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.199 12.322 -4.209 1.00 1.15 H new ATOM 0 HD3 LYS A 67 4.049 13.007 -3.079 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.665 14.702 -2.371 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.927 13.960 -3.335 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.979 15.868 -4.452 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 5.652 14.457 -5.337 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 4.429 15.175 -4.403 1.00 2.42 H new ATOM 608 N ASP A 68 7.999 9.221 -3.662 1.00 0.28 N ATOM 609 CA ASP A 68 7.803 8.116 -4.603 1.00 0.28 C ATOM 610 C ASP A 68 8.364 6.834 -4.031 1.00 0.21 C ATOM 611 O ASP A 68 9.109 6.854 -3.062 1.00 0.23 O ATOM 612 CB ASP A 68 8.505 8.396 -5.937 1.00 0.39 C ATOM 613 CG ASP A 68 7.932 9.559 -6.704 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.272 10.713 -6.375 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.175 9.318 -7.667 1.00 1.88 O ATOM 0 H ASP A 68 8.664 9.927 -3.977 1.00 0.28 H new ATOM 0 HA ASP A 68 6.731 8.017 -4.771 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.561 8.586 -5.746 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.449 7.502 -6.559 1.00 0.39 H new ATOM 620 N PRO A 69 7.991 5.693 -4.612 1.00 0.19 N ATOM 621 CA PRO A 69 8.583 4.413 -4.261 1.00 0.20 C ATOM 622 C PRO A 69 9.859 4.107 -5.040 1.00 0.26 C ATOM 623 O PRO A 69 10.806 3.598 -4.473 1.00 0.65 O ATOM 624 CB PRO A 69 7.489 3.429 -4.635 1.00 0.40 C ATOM 625 CG PRO A 69 6.773 4.065 -5.779 1.00 0.37 C ATOM 626 CD PRO A 69 6.906 5.552 -5.601 1.00 0.22 C ATOM 0 HA PRO A 69 8.889 4.379 -3.215 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.907 2.463 -4.919 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.815 3.251 -3.797 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.204 3.749 -6.729 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.724 3.769 -5.791 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.154 6.047 -6.540 1.00 0.22 H new ATOM 0 HD3 PRO A 69 5.978 5.996 -5.242 1.00 0.22 H new ATOM 634 N ARG A 70 9.890 4.492 -6.318 1.00 0.20 N ATOM 635 CA ARG A 70 10.908 4.034 -7.287 1.00 0.26 C ATOM 636 C ARG A 70 12.356 4.451 -6.956 1.00 0.19 C ATOM 637 O ARG A 70 13.254 4.276 -7.779 1.00 0.27 O ATOM 638 CB ARG A 70 10.555 4.493 -8.713 1.00 0.46 C ATOM 639 CG ARG A 70 10.366 5.998 -8.875 1.00 0.96 C ATOM 640 CD ARG A 70 8.919 6.423 -8.647 1.00 0.87 C ATOM 641 NE ARG A 70 8.005 5.803 -9.604 1.00 1.06 N ATOM 642 CZ ARG A 70 6.837 6.328 -9.983 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.427 7.502 -9.503 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.079 5.674 -10.853 1.00 1.79 N ATOM 0 H ARG A 70 9.208 5.135 -6.720 1.00 0.20 H new ATOM 0 HA ARG A 70 10.883 2.947 -7.217 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.344 4.166 -9.390 1.00 0.46 H new ATOM 0 HB3 ARG A 70 9.639 3.991 -9.024 1.00 0.46 H new ATOM 0 HG2 ARG A 70 11.012 6.522 -8.171 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.677 6.296 -9.876 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.619 6.155 -7.634 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.844 7.508 -8.725 1.00 0.87 H new ATOM 0 HE ARG A 70 8.278 4.908 -10.010 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.008 8.012 -8.837 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.532 7.891 -9.802 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.390 4.777 -11.227 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.185 6.068 -11.148 1.00 1.79 H new ATOM 658 N GLN A 71 12.585 4.999 -5.779 1.00 0.16 N ATOM 659 CA GLN A 71 13.935 5.376 -5.365 1.00 0.16 C ATOM 660 C GLN A 71 14.176 5.035 -3.896 1.00 0.15 C ATOM 661 O GLN A 71 15.124 5.521 -3.277 1.00 0.18 O ATOM 662 CB GLN A 71 14.166 6.875 -5.592 1.00 0.20 C ATOM 663 CG GLN A 71 13.518 7.753 -4.535 1.00 0.38 C ATOM 664 CD GLN A 71 12.018 7.585 -4.477 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.555 6.572 -3.746 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.284 8.329 -5.111 1.00 0.29 N flip ATOM 0 H GLN A 71 11.860 5.196 -5.089 1.00 0.16 H new ATOM 0 HA GLN A 71 14.639 4.808 -5.973 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.238 7.071 -5.609 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.776 7.151 -6.572 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.944 7.515 -3.560 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.755 8.797 -4.741 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.681 9.093 -5.658 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.274 8.186 -5.093 1.00 0.29 H new ATOM 675 N TRP A 72 13.326 4.188 -3.340 1.00 0.12 N ATOM 676 CA TRP A 72 13.422 3.821 -1.941 1.00 0.11 C ATOM 677 C TRP A 72 14.512 2.792 -1.718 1.00 0.12 C ATOM 678 O TRP A 72 15.020 2.194 -2.659 1.00 0.14 O ATOM 679 CB TRP A 72 12.089 3.213 -1.491 1.00 0.11 C ATOM 680 CG TRP A 72 11.068 4.205 -1.058 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.249 5.533 -0.824 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.696 3.931 -0.791 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.067 6.098 -0.432 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.095 5.136 -0.409 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.917 2.784 -0.847 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.745 5.222 -0.078 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.582 2.867 -0.523 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.008 4.077 -0.146 1.00 0.10 C ATOM 0 H TRP A 72 12.558 3.741 -3.841 1.00 0.12 H new ATOM 0 HA TRP A 72 13.658 4.718 -1.369 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.679 2.624 -2.311 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.279 2.524 -0.668 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.185 6.061 -0.932 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.932 7.081 -0.194 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.352 1.840 -1.141 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.299 6.159 0.221 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.970 1.978 -0.562 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.956 4.110 0.098 1.00 0.10 H new ATOM 699 N THR A 73 14.912 2.633 -0.474 1.00 0.14 N ATOM 700 CA THR A 73 15.789 1.552 -0.095 1.00 0.15 C ATOM 701 C THR A 73 14.957 0.386 0.408 1.00 0.15 C ATOM 702 O THR A 73 13.733 0.517 0.524 1.00 0.16 O ATOM 703 CB THR A 73 16.753 2.002 1.013 1.00 0.18 C ATOM 704 OG1 THR A 73 15.996 2.584 2.084 1.00 0.19 O ATOM 705 CG2 THR A 73 17.756 3.021 0.490 1.00 0.21 C ATOM 0 H THR A 73 14.640 3.245 0.295 1.00 0.14 H new ATOM 0 HA THR A 73 16.371 1.250 -0.966 1.00 0.15 H new ATOM 0 HB THR A 73 17.305 1.132 1.367 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.730 3.495 1.839 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.425 3.321 1.297 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.338 2.577 -0.318 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.224 3.896 0.116 1.00 0.21 H new ATOM 713 N GLU A 74 15.594 -0.733 0.725 1.00 0.17 N ATOM 714 CA GLU A 74 14.881 -1.871 1.292 1.00 0.20 C ATOM 715 C GLU A 74 14.167 -1.462 2.580 1.00 0.19 C ATOM 716 O GLU A 74 13.103 -1.986 2.914 1.00 0.28 O ATOM 717 CB GLU A 74 15.849 -3.041 1.540 1.00 0.29 C ATOM 718 CG GLU A 74 16.988 -2.731 2.504 1.00 1.25 C ATOM 719 CD GLU A 74 16.726 -3.230 3.913 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.991 -4.415 4.197 1.00 1.99 O ATOM 721 OE2 GLU A 74 16.254 -2.437 4.748 1.00 2.67 O ATOM 0 H GLU A 74 16.596 -0.878 0.601 1.00 0.17 H new ATOM 0 HA GLU A 74 14.127 -2.205 0.579 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.283 -3.887 1.928 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.273 -3.352 0.586 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.906 -3.183 2.130 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.151 -1.654 2.531 1.00 1.25 H new ATOM 728 N THR A 75 14.739 -0.482 3.271 1.00 0.18 N ATOM 729 CA THR A 75 14.199 -0.016 4.532 1.00 0.21 C ATOM 730 C THR A 75 12.976 0.864 4.307 1.00 0.17 C ATOM 731 O THR A 75 11.971 0.726 4.996 1.00 0.20 O ATOM 732 CB THR A 75 15.260 0.776 5.318 1.00 0.29 C ATOM 733 OG1 THR A 75 16.532 0.119 5.216 1.00 0.47 O ATOM 734 CG2 THR A 75 14.871 0.901 6.784 1.00 0.47 C ATOM 0 H THR A 75 15.584 0.005 2.971 1.00 0.18 H new ATOM 0 HA THR A 75 13.904 -0.892 5.109 1.00 0.21 H new ATOM 0 HB THR A 75 15.326 1.776 4.889 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.394 -0.845 5.106 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.637 1.465 7.317 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.916 1.421 6.864 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.781 -0.093 7.223 1.00 0.47 H new ATOM 742 N HIS A 76 13.044 1.730 3.297 1.00 0.14 N ATOM 743 CA HIS A 76 11.978 2.702 3.062 1.00 0.12 C ATOM 744 C HIS A 76 10.740 1.995 2.530 1.00 0.10 C ATOM 745 O HIS A 76 9.608 2.309 2.914 1.00 0.10 O ATOM 746 CB HIS A 76 12.434 3.791 2.081 1.00 0.14 C ATOM 747 CG HIS A 76 13.485 4.708 2.633 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.512 5.232 1.874 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.656 5.201 3.877 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.267 6.000 2.635 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.772 6.000 3.857 1.00 0.19 N ATOM 0 H HIS A 76 13.818 1.779 2.634 1.00 0.14 H new ATOM 0 HA HIS A 76 11.734 3.183 4.009 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.819 3.315 1.179 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.569 4.384 1.784 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.029 5.003 4.733 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.145 6.539 2.311 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.154 6.509 4.654 1.00 0.19 H new ATOM 760 N VAL A 77 10.972 1.020 1.661 1.00 0.09 N ATOM 761 CA VAL A 77 9.910 0.212 1.112 1.00 0.07 C ATOM 762 C VAL A 77 9.216 -0.556 2.226 1.00 0.08 C ATOM 763 O VAL A 77 8.011 -0.432 2.406 1.00 0.08 O ATOM 764 CB VAL A 77 10.450 -0.769 0.047 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.386 -1.782 -0.343 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.945 -0.007 -1.182 1.00 0.08 C ATOM 0 H VAL A 77 11.902 0.773 1.322 1.00 0.09 H new ATOM 0 HA VAL A 77 9.192 0.874 0.628 1.00 0.07 H new ATOM 0 HB VAL A 77 11.292 -1.311 0.478 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.789 -2.462 -1.094 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.085 -2.350 0.537 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.520 -1.261 -0.752 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.322 -0.714 -1.921 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.122 0.564 -1.612 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.745 0.674 -0.890 1.00 0.08 H new ATOM 776 N ARG A 78 9.990 -1.311 2.999 1.00 0.09 N ATOM 777 CA ARG A 78 9.430 -2.147 4.057 1.00 0.11 C ATOM 778 C ARG A 78 8.729 -1.323 5.132 1.00 0.10 C ATOM 779 O ARG A 78 7.751 -1.779 5.722 1.00 0.14 O ATOM 780 CB ARG A 78 10.512 -3.016 4.684 1.00 0.18 C ATOM 781 CG ARG A 78 10.981 -4.136 3.768 1.00 0.37 C ATOM 782 CD ARG A 78 11.863 -5.126 4.503 1.00 0.40 C ATOM 783 NE ARG A 78 13.140 -4.545 4.907 1.00 1.11 N ATOM 784 CZ ARG A 78 13.687 -4.726 6.107 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.006 -5.346 7.061 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.897 -4.254 6.366 1.00 2.21 N ATOM 0 H ARG A 78 11.005 -1.362 2.914 1.00 0.09 H new ATOM 0 HA ARG A 78 8.680 -2.788 3.594 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.364 -2.390 4.949 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.132 -3.447 5.610 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.116 -4.655 3.355 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.530 -3.713 2.927 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.338 -5.490 5.386 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.046 -5.989 3.863 1.00 0.40 H new ATOM 0 HE ARG A 78 13.641 -3.968 4.232 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.062 -5.685 6.876 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.426 -5.484 7.980 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.413 -3.750 5.645 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.313 -4.395 7.287 1.00 2.21 H new ATOM 800 N ASP A 79 9.223 -0.116 5.371 1.00 0.11 N ATOM 801 CA ASP A 79 8.595 0.812 6.307 1.00 0.12 C ATOM 802 C ASP A 79 7.167 1.088 5.880 1.00 0.11 C ATOM 803 O ASP A 79 6.213 0.960 6.661 1.00 0.12 O ATOM 804 CB ASP A 79 9.376 2.123 6.340 1.00 0.16 C ATOM 805 CG ASP A 79 10.210 2.283 7.599 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.686 2.802 8.608 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.391 1.887 7.589 1.00 0.95 O ATOM 0 H ASP A 79 10.065 0.248 4.925 1.00 0.11 H new ATOM 0 HA ASP A 79 8.595 0.365 7.301 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.029 2.173 5.469 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.679 2.957 6.264 1.00 0.16 H new ATOM 812 N TRP A 80 7.020 1.413 4.611 1.00 0.10 N ATOM 813 CA TRP A 80 5.729 1.723 4.047 1.00 0.09 C ATOM 814 C TRP A 80 4.915 0.445 3.896 1.00 0.09 C ATOM 815 O TRP A 80 3.682 0.452 4.003 1.00 0.09 O ATOM 816 CB TRP A 80 5.954 2.404 2.702 1.00 0.09 C ATOM 817 CG TRP A 80 4.848 2.231 1.724 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.754 3.020 1.558 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.757 1.195 0.752 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.990 2.536 0.525 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.590 1.414 0.018 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.562 0.101 0.437 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.207 0.581 -1.021 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.180 -0.728 -0.590 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.012 -0.483 -1.312 1.00 0.10 C ATOM 0 H TRP A 80 7.792 1.469 3.947 1.00 0.10 H new ATOM 0 HA TRP A 80 5.168 2.393 4.699 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.107 3.470 2.871 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.873 2.015 2.263 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.521 3.894 2.148 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.118 2.945 0.190 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.469 -0.091 0.990 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.303 0.767 -1.581 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.793 -1.581 -0.842 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.739 -1.148 -2.118 1.00 0.10 H new ATOM 836 N VAL A 81 5.634 -0.650 3.687 1.00 0.10 N ATOM 837 CA VAL A 81 5.042 -1.962 3.525 1.00 0.11 C ATOM 838 C VAL A 81 4.271 -2.333 4.780 1.00 0.11 C ATOM 839 O VAL A 81 3.065 -2.572 4.740 1.00 0.11 O ATOM 840 CB VAL A 81 6.141 -3.019 3.227 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.706 -4.421 3.604 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.533 -2.978 1.760 1.00 0.14 C ATOM 0 H VAL A 81 6.652 -0.648 3.625 1.00 0.10 H new ATOM 0 HA VAL A 81 4.353 -1.941 2.680 1.00 0.11 H new ATOM 0 HB VAL A 81 7.004 -2.764 3.842 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.507 -5.124 3.377 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.482 -4.458 4.670 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.815 -4.691 3.036 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.304 -3.725 1.568 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.660 -3.192 1.144 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.917 -1.988 1.514 1.00 0.14 H new ATOM 852 N MET A 82 4.965 -2.339 5.901 1.00 0.11 N ATOM 853 CA MET A 82 4.330 -2.656 7.165 1.00 0.12 C ATOM 854 C MET A 82 3.400 -1.558 7.634 1.00 0.11 C ATOM 855 O MET A 82 2.626 -1.788 8.542 1.00 0.12 O ATOM 856 CB MET A 82 5.333 -2.977 8.265 1.00 0.15 C ATOM 857 CG MET A 82 6.413 -1.930 8.455 1.00 0.13 C ATOM 858 SD MET A 82 7.180 -2.019 10.084 1.00 0.49 S ATOM 859 CE MET A 82 7.247 -3.789 10.332 1.00 0.42 C ATOM 0 H MET A 82 5.961 -2.130 5.963 1.00 0.11 H new ATOM 0 HA MET A 82 3.741 -3.552 6.969 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.795 -3.101 9.205 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.806 -3.933 8.040 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.178 -2.058 7.689 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.983 -0.939 8.313 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.762 -4.006 11.268 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.234 -4.189 10.374 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.786 -4.252 9.505 1.00 0.42 H new ATOM 869 N TRP A 83 3.471 -0.359 7.074 1.00 0.09 N ATOM 870 CA TRP A 83 2.551 0.674 7.523 1.00 0.09 C ATOM 871 C TRP A 83 1.120 0.364 7.093 1.00 0.09 C ATOM 872 O TRP A 83 0.237 0.229 7.938 1.00 0.11 O ATOM 873 CB TRP A 83 2.956 2.068 7.034 1.00 0.09 C ATOM 874 CG TRP A 83 1.964 3.110 7.425 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.898 3.772 8.612 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.883 3.600 6.627 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.846 4.652 8.598 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.207 4.562 7.392 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.427 3.319 5.339 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.901 5.244 6.910 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.673 3.995 4.864 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.324 4.947 5.646 1.00 0.15 C ATOM 0 H TRP A 83 4.125 -0.085 6.341 1.00 0.09 H new ATOM 0 HA TRP A 83 2.600 0.678 8.612 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.933 2.326 7.444 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.059 2.055 5.949 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.574 3.626 9.442 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.583 5.273 9.363 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.928 2.584 4.726 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.410 5.982 7.512 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.038 3.785 3.869 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.183 5.462 5.243 1.00 0.15 H new ATOM 893 N ALA A 84 0.877 0.242 5.795 1.00 0.09 N ATOM 894 CA ALA A 84 -0.470 -0.071 5.336 1.00 0.10 C ATOM 895 C ALA A 84 -0.888 -1.404 5.932 1.00 0.10 C ATOM 896 O ALA A 84 -2.027 -1.597 6.352 1.00 0.12 O ATOM 897 CB ALA A 84 -0.542 -0.108 3.817 1.00 0.12 C ATOM 0 H ALA A 84 1.574 0.351 5.058 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.154 0.710 5.667 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.560 -0.344 3.507 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.256 0.864 3.415 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.139 -0.871 3.439 1.00 0.12 H new ATOM 903 N VAL A 85 0.081 -2.302 5.986 1.00 0.10 N ATOM 904 CA VAL A 85 -0.069 -3.578 6.650 1.00 0.11 C ATOM 905 C VAL A 85 -0.477 -3.430 8.123 1.00 0.13 C ATOM 906 O VAL A 85 -1.537 -3.907 8.508 1.00 0.14 O ATOM 907 CB VAL A 85 1.240 -4.401 6.515 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.417 -5.399 7.648 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.266 -5.122 5.180 1.00 0.14 C ATOM 0 H VAL A 85 1.000 -2.161 5.566 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.881 -4.113 6.158 1.00 0.11 H new ATOM 0 HB VAL A 85 2.071 -3.697 6.571 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.347 -5.949 7.506 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.451 -4.868 8.599 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.580 -6.097 7.652 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.188 -5.697 5.095 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.411 -5.795 5.113 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.217 -4.393 4.372 1.00 0.14 H new ATOM 919 N ASN A 86 0.326 -2.757 8.942 1.00 0.15 N ATOM 920 CA ASN A 86 0.091 -2.767 10.385 1.00 0.19 C ATOM 921 C ASN A 86 -1.157 -1.984 10.764 1.00 0.23 C ATOM 922 O ASN A 86 -1.750 -2.221 11.816 1.00 0.27 O ATOM 923 CB ASN A 86 1.310 -2.293 11.190 1.00 0.23 C ATOM 924 CG ASN A 86 1.384 -0.789 11.407 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.782 -0.327 12.478 1.00 0.61 O ATOM 926 ND2 ASN A 86 1.043 -0.023 10.394 1.00 0.32 N ATOM 0 H ASN A 86 1.131 -2.207 8.641 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.077 -3.810 10.653 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.300 -2.786 12.162 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.215 -2.617 10.677 1.00 0.23 H new ATOM 0 HD21 ASN A 86 1.103 0.992 10.479 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.718 -0.444 9.523 1.00 0.32 H new ATOM 933 N GLU A 87 -1.571 -1.075 9.892 1.00 0.24 N ATOM 934 CA GLU A 87 -2.757 -0.272 10.140 1.00 0.31 C ATOM 935 C GLU A 87 -3.975 -1.131 9.866 1.00 0.28 C ATOM 936 O GLU A 87 -5.000 -1.044 10.540 1.00 0.35 O ATOM 937 CB GLU A 87 -2.754 0.975 9.250 1.00 0.38 C ATOM 938 CG GLU A 87 -3.848 1.970 9.588 1.00 1.23 C ATOM 939 CD GLU A 87 -3.807 2.399 11.039 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.805 3.014 11.457 1.00 1.08 O ATOM 941 OE2 GLU A 87 -4.771 2.110 11.774 1.00 2.15 O ATOM 0 H GLU A 87 -1.103 -0.876 9.008 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.773 0.067 11.176 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -1.786 1.469 9.336 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.863 0.668 8.210 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -3.748 2.847 8.949 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -4.819 1.526 9.370 1.00 1.23 H new ATOM 948 N PHE A 88 -3.824 -1.980 8.863 1.00 0.23 N ATOM 949 CA PHE A 88 -4.838 -2.942 8.481 1.00 0.23 C ATOM 950 C PHE A 88 -4.732 -4.223 9.297 1.00 0.25 C ATOM 951 O PHE A 88 -5.518 -5.150 9.114 1.00 0.30 O ATOM 952 CB PHE A 88 -4.673 -3.267 7.008 1.00 0.24 C ATOM 953 CG PHE A 88 -5.574 -2.466 6.122 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.913 -2.804 6.002 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.093 -1.384 5.412 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.754 -2.073 5.190 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.931 -0.651 4.599 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.261 -0.996 4.486 1.00 0.45 C ATOM 0 H PHE A 88 -2.984 -2.019 8.286 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.818 -2.505 8.672 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.637 -3.090 6.717 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.871 -4.328 6.852 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.302 -3.649 6.551 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.052 -1.110 5.494 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.796 -2.344 5.106 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.545 0.195 4.050 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.916 -0.423 3.846 1.00 0.45 H new ATOM 968 N SER A 89 -3.748 -4.258 10.189 1.00 0.27 N ATOM 969 CA SER A 89 -3.465 -5.436 10.999 1.00 0.34 C ATOM 970 C SER A 89 -3.065 -6.629 10.123 1.00 0.36 C ATOM 971 O SER A 89 -3.376 -7.777 10.437 1.00 0.48 O ATOM 972 CB SER A 89 -4.674 -5.785 11.872 1.00 0.45 C ATOM 973 OG SER A 89 -5.073 -4.665 12.645 1.00 1.07 O ATOM 0 H SER A 89 -3.125 -3.471 10.370 1.00 0.27 H new ATOM 0 HA SER A 89 -2.621 -5.205 11.649 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.501 -6.112 11.242 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.426 -6.618 12.530 1.00 0.45 H new ATOM 0 HG SER A 89 -5.847 -4.906 13.195 1.00 1.07 H new ATOM 979 N LEU A 90 -2.334 -6.351 9.043 1.00 0.31 N ATOM 980 CA LEU A 90 -1.884 -7.385 8.113 1.00 0.40 C ATOM 981 C LEU A 90 -0.529 -7.899 8.544 1.00 0.59 C ATOM 982 O LEU A 90 0.183 -8.486 7.739 1.00 1.23 O ATOM 983 CB LEU A 90 -1.727 -6.812 6.703 1.00 0.33 C ATOM 984 CG LEU A 90 -2.777 -5.793 6.289 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.405 -5.206 4.944 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.157 -6.439 6.232 1.00 0.27 C ATOM 0 H LEU A 90 -2.039 -5.408 8.790 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.627 -8.183 8.113 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.744 -6.347 6.626 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.746 -7.637 5.991 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.812 -4.993 7.029 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.157 -4.475 4.646 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.433 -4.718 5.016 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.357 -6.002 4.200 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.895 -5.694 5.934 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.148 -7.252 5.506 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.415 -6.833 7.215 1.00 0.27 H new ATOM 998 N LYS A 91 -0.165 -7.551 9.782 1.00 0.24 N ATOM 999 CA LYS A 91 1.101 -7.925 10.437 1.00 0.39 C ATOM 1000 C LYS A 91 1.471 -9.417 10.339 1.00 0.26 C ATOM 1001 O LYS A 91 1.631 -10.104 11.352 1.00 0.39 O ATOM 1002 CB LYS A 91 1.016 -7.506 11.910 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.250 -7.999 12.597 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.383 -7.459 14.006 1.00 1.49 C ATOM 1005 CE LYS A 91 -1.697 -7.901 14.637 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.879 -9.379 14.580 1.00 2.48 N ATOM 0 H LYS A 91 -0.762 -6.981 10.381 1.00 0.24 H new ATOM 0 HA LYS A 91 1.896 -7.404 9.904 1.00 0.39 H new ATOM 0 HB2 LYS A 91 1.885 -7.892 12.442 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.059 -6.419 11.976 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -1.119 -7.700 12.011 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.245 -9.089 12.626 1.00 1.31 H new ATOM 0 HD2 LYS A 91 0.452 -7.808 14.614 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.332 -6.370 13.989 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -1.728 -7.573 15.676 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -2.526 -7.414 14.124 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -2.652 -9.658 15.217 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -2.112 -9.663 13.607 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -1.000 -9.849 14.876 1.00 2.48 H new ATOM 1020 N GLY A 92 1.601 -9.905 9.122 1.00 0.26 N ATOM 1021 CA GLY A 92 2.164 -11.198 8.851 1.00 0.31 C ATOM 1022 C GLY A 92 2.706 -11.205 7.437 1.00 0.31 C ATOM 1023 O GLY A 92 2.637 -12.207 6.727 1.00 0.47 O ATOM 0 H GLY A 92 1.311 -9.400 8.284 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.960 -11.420 9.562 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.406 -11.972 8.969 1.00 0.31 H new ATOM 1027 N VAL A 93 3.221 -10.048 7.031 1.00 0.21 N ATOM 1028 CA VAL A 93 3.799 -9.866 5.717 1.00 0.21 C ATOM 1029 C VAL A 93 5.197 -10.451 5.702 1.00 0.20 C ATOM 1030 O VAL A 93 5.935 -10.339 6.684 1.00 0.22 O ATOM 1031 CB VAL A 93 3.801 -8.364 5.337 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.199 -7.838 5.057 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.903 -8.132 4.140 1.00 0.23 C ATOM 0 H VAL A 93 3.246 -9.210 7.612 1.00 0.21 H new ATOM 0 HA VAL A 93 3.200 -10.389 4.971 1.00 0.21 H new ATOM 0 HB VAL A 93 3.418 -7.811 6.195 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.145 -6.781 4.795 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.819 -7.961 5.945 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.638 -8.394 4.229 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.910 -7.074 3.880 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.266 -8.716 3.294 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.886 -8.439 4.383 1.00 0.23 H new ATOM 1043 N ASP A 94 5.553 -11.112 4.615 1.00 0.21 N ATOM 1044 CA ASP A 94 6.870 -11.694 4.506 1.00 0.24 C ATOM 1045 C ASP A 94 7.821 -10.631 4.026 1.00 0.21 C ATOM 1046 O ASP A 94 7.956 -10.405 2.829 1.00 0.20 O ATOM 1047 CB ASP A 94 6.874 -12.886 3.550 1.00 0.32 C ATOM 1048 CG ASP A 94 6.084 -14.057 4.092 1.00 1.02 C ATOM 1049 OD1 ASP A 94 6.663 -14.885 4.819 1.00 1.10 O ATOM 1050 OD2 ASP A 94 4.878 -14.163 3.779 1.00 1.94 O ATOM 0 H ASP A 94 4.951 -11.256 3.804 1.00 0.21 H new ATOM 0 HA ASP A 94 7.182 -12.064 5.483 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.456 -12.581 2.590 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.902 -13.198 3.365 1.00 0.32 H new ATOM 1055 N PHE A 95 8.464 -9.963 4.966 1.00 0.23 N ATOM 1056 CA PHE A 95 9.318 -8.837 4.645 1.00 0.24 C ATOM 1057 C PHE A 95 10.488 -9.275 3.774 1.00 0.23 C ATOM 1058 O PHE A 95 11.099 -8.465 3.084 1.00 0.28 O ATOM 1059 CB PHE A 95 9.830 -8.165 5.919 1.00 0.29 C ATOM 1060 CG PHE A 95 8.739 -7.537 6.730 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.225 -6.297 6.388 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.235 -8.185 7.843 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.230 -5.713 7.147 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.241 -7.609 8.604 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.696 -6.377 8.206 1.00 0.61 C ATOM 0 H PHE A 95 8.410 -10.182 5.961 1.00 0.23 H new ATOM 0 HA PHE A 95 8.724 -8.114 4.086 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.349 -8.904 6.529 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.561 -7.402 5.652 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.606 -5.782 5.519 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.625 -9.154 8.119 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.874 -4.724 6.898 1.00 0.66 H new ATOM 0 HE2 PHE A 95 6.885 -8.100 9.498 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.855 -5.959 8.740 1.00 0.61 H new ATOM 1075 N GLN A 96 10.797 -10.563 3.826 1.00 0.21 N ATOM 1076 CA GLN A 96 11.834 -11.137 2.979 1.00 0.24 C ATOM 1077 C GLN A 96 11.340 -11.305 1.551 1.00 0.21 C ATOM 1078 O GLN A 96 12.126 -11.290 0.604 1.00 0.25 O ATOM 1079 CB GLN A 96 12.303 -12.473 3.544 1.00 0.33 C ATOM 1080 CG GLN A 96 13.047 -12.324 4.858 1.00 1.06 C ATOM 1081 CD GLN A 96 14.239 -11.397 4.732 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.351 -11.836 4.444 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.007 -10.106 4.925 1.00 1.93 N ATOM 0 H GLN A 96 10.343 -11.232 4.448 1.00 0.21 H new ATOM 0 HA GLN A 96 12.680 -10.449 2.964 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.441 -13.123 3.691 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.951 -12.963 2.817 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.367 -11.939 5.618 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.384 -13.304 5.197 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.068 -9.787 5.163 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.768 -9.432 4.836 1.00 1.93 H new ATOM 1092 N LYS A 97 10.034 -11.450 1.398 1.00 0.18 N ATOM 1093 CA LYS A 97 9.426 -11.491 0.082 1.00 0.19 C ATOM 1094 C LYS A 97 9.221 -10.056 -0.370 1.00 0.17 C ATOM 1095 O LYS A 97 9.163 -9.755 -1.557 1.00 0.20 O ATOM 1096 CB LYS A 97 8.090 -12.237 0.140 1.00 0.23 C ATOM 1097 CG LYS A 97 7.816 -13.134 -1.058 1.00 0.26 C ATOM 1098 CD LYS A 97 7.508 -12.347 -2.321 1.00 0.25 C ATOM 1099 CE LYS A 97 7.179 -13.282 -3.479 1.00 0.38 C ATOM 1100 NZ LYS A 97 6.036 -14.187 -3.164 1.00 1.43 N ATOM 0 H LYS A 97 9.375 -11.541 2.171 1.00 0.18 H new ATOM 0 HA LYS A 97 10.067 -12.020 -0.623 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.066 -12.844 1.045 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.284 -11.508 0.224 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.682 -13.772 -1.234 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.977 -13.791 -0.830 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.668 -11.676 -2.140 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.363 -11.724 -2.583 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.940 -12.692 -4.364 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.057 -13.880 -3.722 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 6.362 -15.175 -3.174 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 5.660 -13.956 -2.222 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.288 -14.062 -3.876 1.00 1.43 H new ATOM 1114 N PHE A 98 9.169 -9.177 0.624 1.00 0.16 N ATOM 1115 CA PHE A 98 8.992 -7.752 0.421 1.00 0.16 C ATOM 1116 C PHE A 98 10.337 -7.050 0.307 1.00 0.20 C ATOM 1117 O PHE A 98 10.439 -5.839 0.518 1.00 0.22 O ATOM 1118 CB PHE A 98 8.203 -7.156 1.580 1.00 0.15 C ATOM 1119 CG PHE A 98 6.731 -7.176 1.352 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.117 -6.107 0.731 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.962 -8.254 1.748 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.763 -6.108 0.510 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.606 -8.259 1.525 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.007 -7.184 0.905 1.00 0.12 C ATOM 0 H PHE A 98 9.250 -9.442 1.606 1.00 0.16 H new ATOM 0 HA PHE A 98 8.442 -7.606 -0.509 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.432 -7.709 2.491 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.526 -6.128 1.742 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.709 -5.261 0.416 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.429 -9.097 2.235 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.293 -5.264 0.026 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.010 -9.105 1.835 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.941 -7.188 0.730 1.00 0.12 H new ATOM 1134 N CYS A 99 11.371 -7.817 0.000 1.00 0.26 N ATOM 1135 CA CYS A 99 12.704 -7.270 -0.169 1.00 0.31 C ATOM 1136 C CYS A 99 12.796 -6.470 -1.459 1.00 0.23 C ATOM 1137 O CYS A 99 13.297 -6.961 -2.476 1.00 0.27 O ATOM 1138 CB CYS A 99 13.723 -8.396 -0.212 1.00 0.45 C ATOM 1139 SG CYS A 99 15.440 -7.841 -0.112 1.00 1.20 S ATOM 0 H CYS A 99 11.310 -8.826 -0.137 1.00 0.26 H new ATOM 0 HA CYS A 99 12.912 -6.612 0.675 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.526 -9.082 0.612 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.588 -8.959 -1.135 1.00 0.45 H new ATOM 0 HG CYS A 99 16.232 -8.871 -0.154 1.00 1.20 H new ATOM 1145 N MET A 100 12.313 -5.246 -1.422 1.00 0.19 N ATOM 1146 CA MET A 100 12.428 -4.363 -2.559 1.00 0.16 C ATOM 1147 C MET A 100 13.206 -3.125 -2.214 1.00 0.17 C ATOM 1148 O MET A 100 12.982 -2.499 -1.180 1.00 0.20 O ATOM 1149 CB MET A 100 11.063 -3.923 -3.093 1.00 0.22 C ATOM 1150 CG MET A 100 10.349 -4.960 -3.928 1.00 0.22 C ATOM 1151 SD MET A 100 9.465 -6.164 -2.924 1.00 0.13 S ATOM 1152 CE MET A 100 8.300 -5.105 -2.069 1.00 0.18 C ATOM 0 H MET A 100 11.837 -4.841 -0.616 1.00 0.19 H new ATOM 0 HA MET A 100 12.949 -4.937 -3.326 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.427 -3.655 -2.249 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.195 -3.022 -3.692 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.646 -4.463 -4.596 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.074 -5.478 -4.556 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.471 -5.169 -0.994 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.436 -4.075 -2.398 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.283 -5.426 -2.294 1.00 0.18 H new ATOM 1162 N SER A 101 14.132 -2.794 -3.077 1.00 0.16 N ATOM 1163 CA SER A 101 14.592 -1.439 -3.168 1.00 0.18 C ATOM 1164 C SER A 101 13.487 -0.702 -3.900 1.00 0.14 C ATOM 1165 O SER A 101 12.775 -1.323 -4.676 1.00 0.15 O ATOM 1166 CB SER A 101 15.918 -1.351 -3.926 1.00 0.24 C ATOM 1167 OG SER A 101 16.454 -0.042 -3.871 1.00 1.26 O ATOM 0 H SER A 101 14.579 -3.444 -3.723 1.00 0.16 H new ATOM 0 HA SER A 101 14.788 -1.008 -2.186 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.631 -2.057 -3.500 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.765 -1.641 -4.966 1.00 0.24 H new ATOM 0 HG SER A 101 15.822 0.551 -3.413 1.00 1.26 H new ATOM 1173 N GLY A 102 13.290 0.564 -3.637 1.00 0.13 N ATOM 1174 CA GLY A 102 12.129 1.248 -4.161 1.00 0.14 C ATOM 1175 C GLY A 102 11.951 1.121 -5.661 1.00 0.14 C ATOM 1176 O GLY A 102 10.821 0.992 -6.143 1.00 0.16 O ATOM 0 H GLY A 102 13.910 1.141 -3.069 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.239 0.858 -3.667 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.198 2.305 -3.904 1.00 0.14 H new ATOM 1180 N ALA A 103 13.052 1.165 -6.404 1.00 0.17 N ATOM 1181 CA ALA A 103 12.995 0.985 -7.849 1.00 0.21 C ATOM 1182 C ALA A 103 12.408 -0.381 -8.171 1.00 0.21 C ATOM 1183 O ALA A 103 11.617 -0.536 -9.099 1.00 0.25 O ATOM 1184 CB ALA A 103 14.381 1.132 -8.456 1.00 0.26 C ATOM 0 H ALA A 103 13.989 1.323 -6.032 1.00 0.17 H new ATOM 0 HA ALA A 103 12.354 1.754 -8.281 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.322 0.995 -9.536 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.770 2.126 -8.237 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.046 0.380 -8.031 1.00 0.26 H new ATOM 1190 N ALA A 104 12.778 -1.355 -7.354 1.00 0.19 N ATOM 1191 CA ALA A 104 12.255 -2.700 -7.465 1.00 0.20 C ATOM 1192 C ALA A 104 10.804 -2.725 -7.014 1.00 0.16 C ATOM 1193 O ALA A 104 9.962 -3.362 -7.653 1.00 0.17 O ATOM 1194 CB ALA A 104 13.082 -3.661 -6.625 1.00 0.22 C ATOM 0 H ALA A 104 13.450 -1.231 -6.596 1.00 0.19 H new ATOM 0 HA ALA A 104 12.311 -3.016 -8.507 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.676 -4.668 -6.719 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.115 -3.652 -6.973 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.048 -3.352 -5.580 1.00 0.22 H new ATOM 1200 N LEU A 105 10.515 -2.039 -5.900 1.00 0.12 N ATOM 1201 CA LEU A 105 9.161 -1.928 -5.379 1.00 0.09 C ATOM 1202 C LEU A 105 8.163 -1.534 -6.445 1.00 0.12 C ATOM 1203 O LEU A 105 7.164 -2.191 -6.664 1.00 0.13 O ATOM 1204 CB LEU A 105 9.110 -0.862 -4.278 1.00 0.09 C ATOM 1205 CG LEU A 105 7.711 -0.650 -3.723 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.239 -1.890 -2.996 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.658 0.551 -2.815 1.00 0.14 C ATOM 0 H LEU A 105 11.215 -1.550 -5.342 1.00 0.12 H new ATOM 0 HA LEU A 105 8.895 -2.912 -4.993 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.777 -1.153 -3.466 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.484 0.081 -4.675 1.00 0.09 H new ATOM 0 HG LEU A 105 7.041 -0.461 -4.562 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.236 -1.722 -2.604 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.223 -2.733 -3.687 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.918 -2.109 -2.172 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.644 0.675 -2.435 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.344 0.406 -1.980 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.948 1.442 -3.372 1.00 0.14 H new ATOM 1219 N CYS A 106 8.432 -0.425 -7.056 1.00 0.21 N ATOM 1220 CA CYS A 106 7.558 0.129 -8.060 1.00 0.31 C ATOM 1221 C CYS A 106 7.507 -0.739 -9.321 1.00 0.34 C ATOM 1222 O CYS A 106 6.441 -0.920 -9.914 1.00 0.40 O ATOM 1223 CB CYS A 106 8.046 1.534 -8.374 1.00 0.39 C ATOM 1224 SG CYS A 106 6.755 2.695 -8.882 1.00 0.74 S ATOM 0 H CYS A 106 9.268 0.131 -6.877 1.00 0.21 H new ATOM 0 HA CYS A 106 6.537 0.159 -7.679 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.547 1.934 -7.493 1.00 0.39 H new ATOM 0 HB3 CYS A 106 8.793 1.475 -9.166 1.00 0.39 H new ATOM 0 HG CYS A 106 5.808 2.708 -7.991 1.00 0.74 H new ATOM 1230 N ALA A 107 8.654 -1.282 -9.724 1.00 0.33 N ATOM 1231 CA ALA A 107 8.753 -2.050 -10.962 1.00 0.41 C ATOM 1232 C ALA A 107 7.953 -3.351 -10.941 1.00 0.38 C ATOM 1233 O ALA A 107 7.466 -3.781 -11.989 1.00 0.46 O ATOM 1234 CB ALA A 107 10.210 -2.347 -11.277 1.00 0.47 C ATOM 0 H ALA A 107 9.531 -1.203 -9.208 1.00 0.33 H new ATOM 0 HA ALA A 107 8.315 -1.428 -11.743 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.273 -2.920 -12.202 1.00 0.47 H new ATOM 0 HB2 ALA A 107 10.755 -1.410 -11.393 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.648 -2.924 -10.462 1.00 0.47 H new ATOM 1240 N LEU A 108 7.804 -3.978 -9.769 1.00 0.29 N ATOM 1241 CA LEU A 108 7.178 -5.304 -9.694 1.00 0.26 C ATOM 1242 C LEU A 108 5.770 -5.326 -10.305 1.00 0.26 C ATOM 1243 O LEU A 108 5.360 -6.330 -10.886 1.00 0.28 O ATOM 1244 CB LEU A 108 7.161 -5.866 -8.244 1.00 0.21 C ATOM 1245 CG LEU A 108 6.800 -4.895 -7.111 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.367 -4.390 -7.222 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.020 -5.569 -5.767 1.00 0.19 C ATOM 0 H LEU A 108 8.103 -3.596 -8.872 1.00 0.29 H new ATOM 0 HA LEU A 108 7.804 -5.962 -10.297 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.455 -6.696 -8.213 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.147 -6.279 -8.032 1.00 0.21 H new ATOM 0 HG LEU A 108 7.454 -4.027 -7.197 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.157 -3.706 -6.399 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.238 -3.868 -8.170 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.679 -5.234 -7.176 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.763 -4.876 -4.966 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.389 -6.455 -5.697 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.066 -5.860 -5.673 1.00 0.19 H new ATOM 1259 N GLY A 109 5.043 -4.217 -10.201 1.00 0.27 N ATOM 1260 CA GLY A 109 3.663 -4.201 -10.653 1.00 0.32 C ATOM 1261 C GLY A 109 2.774 -5.024 -9.739 1.00 0.27 C ATOM 1262 O GLY A 109 3.269 -5.856 -8.973 1.00 0.23 O ATOM 0 H GLY A 109 5.381 -3.336 -9.815 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.301 -3.173 -10.687 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.606 -4.593 -11.669 1.00 0.32 H new ATOM 1266 N LYS A 110 1.466 -4.806 -9.791 1.00 0.33 N ATOM 1267 CA LYS A 110 0.574 -5.517 -8.889 1.00 0.36 C ATOM 1268 C LYS A 110 0.675 -7.026 -9.090 1.00 0.26 C ATOM 1269 O LYS A 110 0.652 -7.767 -8.116 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.876 -5.014 -8.987 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.731 -5.595 -10.103 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.765 -6.567 -9.556 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.290 -8.022 -9.542 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.363 -8.652 -10.886 1.00 0.67 N ATOM 0 H LYS A 110 1.009 -4.158 -10.433 1.00 0.33 H new ATOM 0 HA LYS A 110 0.902 -5.301 -7.872 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.371 -5.219 -8.038 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.852 -3.931 -9.106 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.233 -4.788 -10.637 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.093 -6.106 -10.824 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.030 -6.270 -8.541 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.672 -6.495 -10.156 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.263 -8.063 -9.179 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.899 -8.594 -8.842 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.113 -9.659 -10.812 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.329 -8.562 -11.259 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -1.698 -8.177 -11.529 1.00 0.67 H new ATOM 1288 N GLU A 111 0.808 -7.487 -10.337 1.00 0.25 N ATOM 1289 CA GLU A 111 0.948 -8.921 -10.604 1.00 0.31 C ATOM 1290 C GLU A 111 1.991 -9.570 -9.688 1.00 0.27 C ATOM 1291 O GLU A 111 1.730 -10.604 -9.082 1.00 0.39 O ATOM 1292 CB GLU A 111 1.301 -9.180 -12.073 1.00 0.48 C ATOM 1293 CG GLU A 111 2.615 -8.564 -12.521 1.00 1.39 C ATOM 1294 CD GLU A 111 3.107 -9.151 -13.823 1.00 1.95 C ATOM 1295 OE1 GLU A 111 3.651 -10.276 -13.801 1.00 2.46 O ATOM 1296 OE2 GLU A 111 2.957 -8.497 -14.872 1.00 2.54 O ATOM 0 H GLU A 111 0.822 -6.896 -11.168 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.018 -9.379 -10.393 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.343 -10.256 -12.239 1.00 0.48 H new ATOM 0 HB3 GLU A 111 0.499 -8.791 -12.701 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.489 -7.487 -12.635 1.00 1.39 H new ATOM 0 HG3 GLU A 111 3.368 -8.717 -11.748 1.00 1.39 H new ATOM 1303 N CYS A 112 3.156 -8.950 -9.574 1.00 0.21 N ATOM 1304 CA CYS A 112 4.196 -9.472 -8.713 1.00 0.18 C ATOM 1305 C CYS A 112 3.872 -9.171 -7.260 1.00 0.15 C ATOM 1306 O CYS A 112 3.898 -10.064 -6.422 1.00 0.17 O ATOM 1307 CB CYS A 112 5.560 -8.892 -9.082 1.00 0.21 C ATOM 1308 SG CYS A 112 6.087 -9.263 -10.773 1.00 1.36 S ATOM 0 H CYS A 112 3.400 -8.090 -10.065 1.00 0.21 H new ATOM 0 HA CYS A 112 4.241 -10.552 -8.851 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.530 -7.810 -8.951 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.307 -9.277 -8.387 1.00 0.21 H new ATOM 0 HG CYS A 112 5.934 -8.208 -11.517 1.00 1.36 H new ATOM 1314 N PHE A 113 3.545 -7.910 -6.980 1.00 0.13 N ATOM 1315 CA PHE A 113 3.288 -7.455 -5.619 1.00 0.12 C ATOM 1316 C PHE A 113 2.224 -8.296 -4.908 1.00 0.13 C ATOM 1317 O PHE A 113 2.375 -8.648 -3.742 1.00 0.14 O ATOM 1318 CB PHE A 113 2.862 -5.981 -5.616 1.00 0.12 C ATOM 1319 CG PHE A 113 3.130 -5.306 -4.303 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.358 -5.617 -3.200 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.179 -4.400 -4.152 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.612 -5.043 -1.980 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.438 -3.833 -2.927 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.654 -4.152 -1.841 1.00 0.10 C ATOM 0 H PHE A 113 3.452 -7.181 -7.687 1.00 0.13 H new ATOM 0 HA PHE A 113 4.223 -7.572 -5.070 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.392 -5.452 -6.407 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.798 -5.913 -5.845 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.545 -6.321 -3.299 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.792 -4.142 -5.003 1.00 0.11 H new ATOM 0 HE1 PHE A 113 1.995 -5.290 -1.128 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.257 -3.137 -2.816 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.856 -3.704 -0.879 1.00 0.10 H new ATOM 1334 N LEU A 114 1.140 -8.614 -5.581 1.00 0.14 N ATOM 1335 CA LEU A 114 0.048 -9.309 -4.907 1.00 0.17 C ATOM 1336 C LEU A 114 0.384 -10.774 -4.734 1.00 0.22 C ATOM 1337 O LEU A 114 -0.150 -11.449 -3.858 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.276 -9.171 -5.640 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.537 -7.826 -6.312 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.017 -7.604 -6.434 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.907 -6.662 -5.576 1.00 0.50 C ATOM 0 H LEU A 114 0.985 -8.412 -6.569 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.069 -8.837 -3.931 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.329 -9.950 -6.400 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.082 -9.362 -4.931 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.072 -7.867 -7.297 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.202 -6.643 -6.914 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.456 -8.401 -7.035 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.468 -7.607 -5.442 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.129 -5.735 -6.104 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.311 -6.609 -4.565 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.173 -6.803 -5.529 1.00 0.50 H new ATOM 1353 N GLU A 115 1.263 -11.264 -5.589 1.00 0.22 N ATOM 1354 CA GLU A 115 1.812 -12.593 -5.429 1.00 0.28 C ATOM 1355 C GLU A 115 2.939 -12.544 -4.403 1.00 0.27 C ATOM 1356 O GLU A 115 3.434 -13.566 -3.923 1.00 0.37 O ATOM 1357 CB GLU A 115 2.346 -13.111 -6.758 1.00 0.37 C ATOM 1358 CG GLU A 115 1.259 -13.372 -7.784 1.00 0.48 C ATOM 1359 CD GLU A 115 0.438 -14.603 -7.463 1.00 1.33 C ATOM 1360 OE1 GLU A 115 -0.541 -14.480 -6.694 1.00 1.81 O ATOM 1361 OE2 GLU A 115 0.770 -15.699 -7.966 1.00 2.21 O ATOM 0 H GLU A 115 1.611 -10.758 -6.403 1.00 0.22 H new ATOM 0 HA GLU A 115 1.027 -13.268 -5.086 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.052 -12.387 -7.164 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.900 -14.033 -6.584 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.601 -12.505 -7.839 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.714 -13.490 -8.768 1.00 0.48 H new ATOM 1368 N LEU A 116 3.325 -11.322 -4.086 1.00 0.20 N ATOM 1369 CA LEU A 116 4.430 -11.036 -3.196 1.00 0.19 C ATOM 1370 C LEU A 116 3.946 -10.874 -1.751 1.00 0.22 C ATOM 1371 O LEU A 116 4.707 -11.046 -0.798 1.00 0.26 O ATOM 1372 CB LEU A 116 5.143 -9.791 -3.744 1.00 0.15 C ATOM 1373 CG LEU A 116 5.828 -8.879 -2.744 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.056 -8.253 -3.373 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.870 -7.802 -2.290 1.00 0.16 C ATOM 0 H LEU A 116 2.868 -10.485 -4.448 1.00 0.20 H new ATOM 0 HA LEU A 116 5.138 -11.864 -3.163 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.891 -10.122 -4.465 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.411 -9.199 -4.293 1.00 0.15 H new ATOM 0 HG LEU A 116 6.136 -9.466 -1.878 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.543 -7.599 -2.649 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.749 -9.037 -3.677 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.761 -7.671 -4.246 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.368 -7.151 -1.572 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.548 -7.215 -3.150 1.00 0.16 H new ATOM 0 HD23 LEU A 116 4.001 -8.263 -1.820 1.00 0.16 H new ATOM 1387 N ALA A 117 2.667 -10.576 -1.603 1.00 0.21 N ATOM 1388 CA ALA A 117 2.028 -10.495 -0.297 1.00 0.22 C ATOM 1389 C ALA A 117 0.801 -11.393 -0.271 1.00 0.23 C ATOM 1390 O ALA A 117 0.542 -12.104 -1.242 1.00 0.26 O ATOM 1391 CB ALA A 117 1.617 -9.055 0.001 1.00 0.22 C ATOM 0 H ALA A 117 2.040 -10.383 -2.384 1.00 0.21 H new ATOM 0 HA ALA A 117 2.736 -10.825 0.463 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.140 -9.008 0.980 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.500 -8.416 -0.004 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.917 -8.712 -0.760 1.00 0.22 H new ATOM 1397 N PRO A 118 0.047 -11.425 0.843 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.320 -11.921 0.813 1.00 0.25 C ATOM 1399 C PRO A 118 -2.102 -11.209 -0.287 1.00 0.22 C ATOM 1400 O PRO A 118 -1.975 -10.000 -0.441 1.00 0.18 O ATOM 1401 CB PRO A 118 -1.864 -11.562 2.191 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.669 -11.514 3.077 1.00 0.32 C ATOM 1403 CD PRO A 118 0.468 -11.043 2.210 1.00 0.29 C ATOM 0 HA PRO A 118 -1.392 -12.988 0.605 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.381 -10.603 2.173 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.582 -12.305 2.537 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.830 -10.834 3.914 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.457 -12.496 3.500 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.619 -9.967 2.297 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.408 -11.520 2.488 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.863 -11.961 -1.059 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.461 -11.457 -2.301 1.00 0.32 C ATOM 1413 C ASP A 119 -4.169 -10.103 -2.161 1.00 0.31 C ATOM 1414 O ASP A 119 -4.077 -9.286 -3.074 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.414 -12.482 -2.925 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.631 -12.777 -2.071 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.559 -13.686 -1.219 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.661 -12.090 -2.238 1.00 1.26 O ATOM 0 H ASP A 119 -3.089 -12.934 -0.853 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.613 -11.294 -2.966 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.743 -12.115 -3.897 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.871 -13.410 -3.102 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.832 -9.821 -1.033 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.599 -8.581 -0.938 1.00 0.32 C ATOM 1425 C PHE A 120 -4.715 -7.486 -0.388 1.00 0.22 C ATOM 1426 O PHE A 120 -4.863 -6.309 -0.707 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.860 -8.739 -0.087 1.00 0.46 C ATOM 1428 CG PHE A 120 -8.021 -7.961 -0.645 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.992 -6.575 -0.699 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -9.140 -8.622 -1.121 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -9.052 -5.868 -1.229 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -10.205 -7.919 -1.651 1.00 1.97 C ATOM 1433 CZ PHE A 120 -10.163 -6.540 -1.699 1.00 1.86 C ATOM 0 H PHE A 120 -4.853 -10.413 -0.203 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.934 -8.315 -1.941 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.127 -9.794 -0.027 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.655 -8.404 0.930 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.131 -6.044 -0.322 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -9.181 -9.700 -1.078 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -9.013 -4.790 -1.276 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -11.069 -8.447 -2.027 1.00 1.97 H new ATOM 0 HZ PHE A 120 -10.998 -5.987 -2.104 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.779 -7.916 0.427 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.782 -7.050 0.999 1.00 0.17 C ATOM 1445 C VAL A 121 -1.863 -6.551 -0.078 1.00 0.15 C ATOM 1446 O VAL A 121 -1.352 -5.435 -0.005 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.992 -7.812 2.051 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.880 -6.949 2.615 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.963 -8.270 3.111 1.00 0.22 C ATOM 0 H VAL A 121 -3.690 -8.891 0.713 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.269 -6.195 1.468 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.503 -8.684 1.616 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.327 -7.513 3.366 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.204 -6.655 1.812 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.308 -6.058 3.073 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.426 -8.822 3.883 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.450 -7.403 3.557 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.716 -8.917 2.660 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.650 -7.394 -1.073 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.986 -6.957 -2.256 1.00 0.19 C ATOM 1461 C GLY A 122 -1.644 -5.719 -2.812 1.00 0.16 C ATOM 1462 O GLY A 122 -0.974 -4.720 -2.999 1.00 0.14 O ATOM 0 H GLY A 122 -1.930 -8.375 -1.072 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.061 -6.750 -2.036 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -1.004 -7.751 -3.003 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.963 -5.768 -3.045 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.657 -4.624 -3.641 1.00 0.19 C ATOM 1468 C ASP A 123 -3.626 -3.470 -2.667 1.00 0.13 C ATOM 1469 O ASP A 123 -3.464 -2.328 -3.056 1.00 0.13 O ATOM 1470 CB ASP A 123 -5.131 -4.893 -3.991 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.373 -6.030 -4.955 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.413 -7.197 -4.497 1.00 1.07 O ATOM 1473 OD2 ASP A 123 -5.463 -5.780 -6.170 1.00 0.68 O ATOM 0 H ASP A 123 -3.558 -6.570 -2.835 1.00 0.18 H new ATOM 0 HA ASP A 123 -3.133 -4.407 -4.572 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -5.673 -5.100 -3.069 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.558 -3.984 -4.414 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.817 -3.784 -1.392 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.737 -2.794 -0.333 1.00 0.10 C ATOM 1480 C ILE A 124 -2.416 -2.031 -0.379 1.00 0.09 C ATOM 1481 O ILE A 124 -2.395 -0.820 -0.611 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.958 -3.450 1.053 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.456 -3.673 1.275 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.370 -2.594 2.173 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.788 -4.336 2.595 1.00 0.22 C ATOM 0 H ILE A 124 -4.030 -4.727 -1.067 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.536 -2.070 -0.495 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.442 -4.410 1.072 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.968 -2.712 1.223 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.846 -4.286 0.463 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.542 -3.082 3.132 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.298 -2.473 2.014 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.850 -1.615 2.173 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.868 -4.460 2.679 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.306 -5.312 2.643 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.430 -3.714 3.415 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.319 -2.727 -0.168 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.020 -2.116 -0.278 1.00 0.08 C ATOM 1499 C LEU A 125 0.215 -1.542 -1.669 1.00 0.09 C ATOM 1500 O LEU A 125 0.704 -0.429 -1.794 1.00 0.10 O ATOM 1501 CB LEU A 125 1.052 -3.121 0.092 1.00 0.08 C ATOM 1502 CG LEU A 125 1.442 -3.087 1.556 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.324 -4.271 1.903 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.151 -1.780 1.867 1.00 0.09 C ATOM 0 H LEU A 125 -1.305 -3.716 0.080 1.00 0.08 H new ATOM 0 HA LEU A 125 0.028 -1.280 0.419 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.700 -4.122 -0.158 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.938 -2.934 -0.515 1.00 0.08 H new ATOM 0 HG LEU A 125 0.539 -3.152 2.164 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.593 -4.228 2.958 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.785 -5.197 1.704 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.229 -4.240 1.297 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.430 -1.759 2.921 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.048 -1.697 1.253 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.485 -0.945 1.651 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.180 -2.272 -2.704 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.002 -1.799 -4.071 1.00 0.10 C ATOM 1518 C TRP A 126 -0.743 -0.486 -4.289 1.00 0.11 C ATOM 1519 O TRP A 126 -0.237 0.419 -4.949 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.475 -2.826 -5.105 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.572 -2.220 -6.462 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.711 -1.847 -7.116 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.524 -1.855 -7.302 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.381 -1.252 -8.314 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.014 -1.254 -8.452 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.909 -1.980 -7.189 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.794 -0.773 -9.480 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.707 -1.504 -8.211 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.147 -0.905 -9.342 1.00 0.25 C ATOM 0 H TRP A 126 -0.623 -3.187 -2.625 1.00 0.09 H new ATOM 0 HA TRP A 126 1.068 -1.644 -4.211 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.217 -3.667 -5.128 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.447 -3.221 -4.810 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.716 -1.996 -6.750 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.044 -0.872 -8.989 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.350 -2.441 -6.317 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.365 -0.311 -10.357 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.780 -1.596 -8.135 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.797 -0.539 -10.123 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.945 -0.390 -3.749 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.719 0.829 -3.840 1.00 0.12 C ATOM 1542 C GLU A 127 -1.927 1.985 -3.278 1.00 0.12 C ATOM 1543 O GLU A 127 -1.656 2.940 -3.985 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.049 0.690 -3.114 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.253 0.678 -4.049 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.101 -0.221 -5.266 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.344 0.143 -6.197 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -5.687 -1.326 -5.269 1.00 1.43 O ATOM 0 H GLU A 127 -2.405 -1.146 -3.242 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.933 1.023 -4.891 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.042 -0.231 -2.532 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.156 1.513 -2.407 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -6.130 0.360 -3.486 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -5.444 1.696 -4.388 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.507 1.896 -2.021 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.712 2.975 -1.451 1.00 0.11 C ATOM 1557 C HIS A 128 0.595 3.117 -2.204 1.00 0.10 C ATOM 1558 O HIS A 128 1.121 4.214 -2.290 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.437 2.789 0.043 1.00 0.11 C ATOM 1560 CG HIS A 128 0.091 4.040 0.697 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.630 4.069 1.965 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.137 5.322 0.245 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.980 5.309 2.266 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.693 6.088 1.242 1.00 0.15 N ATOM 0 H HIS A 128 -1.696 1.114 -1.394 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.301 3.886 -1.555 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.356 2.483 0.542 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.283 1.982 0.178 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.201 5.673 -0.719 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.426 5.630 3.196 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.857 7.094 1.197 1.00 0.15 H new ATOM 1573 N LEU A 129 1.105 2.026 -2.758 1.00 0.10 N ATOM 1574 CA LEU A 129 2.278 2.084 -3.603 1.00 0.12 C ATOM 1575 C LEU A 129 2.010 3.044 -4.732 1.00 0.15 C ATOM 1576 O LEU A 129 2.779 3.977 -4.979 1.00 0.18 O ATOM 1577 CB LEU A 129 2.602 0.683 -4.143 1.00 0.11 C ATOM 1578 CG LEU A 129 3.793 0.590 -5.090 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.858 1.573 -4.673 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.370 -0.810 -5.067 1.00 0.13 C ATOM 0 H LEU A 129 0.720 1.090 -2.634 1.00 0.10 H new ATOM 0 HA LEU A 129 3.138 2.432 -3.031 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.785 0.022 -3.296 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.721 0.302 -4.660 1.00 0.11 H new ATOM 0 HG LEU A 129 3.455 0.824 -6.099 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.706 1.501 -5.354 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.452 2.584 -4.704 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.187 1.345 -3.659 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.220 -0.864 -5.747 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.698 -1.052 -4.056 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.608 -1.523 -5.381 1.00 0.13 H new ATOM 1592 N GLU A 130 0.885 2.837 -5.375 1.00 0.17 N ATOM 1593 CA GLU A 130 0.502 3.657 -6.483 1.00 0.23 C ATOM 1594 C GLU A 130 0.113 5.053 -6.008 1.00 0.25 C ATOM 1595 O GLU A 130 0.312 6.039 -6.708 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.652 3.000 -7.246 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.966 3.650 -8.578 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.284 3.177 -9.150 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.339 3.715 -8.755 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.273 2.268 -10.001 1.00 1.80 O ATOM 0 H GLU A 130 0.219 2.100 -5.142 1.00 0.17 H new ATOM 0 HA GLU A 130 1.352 3.757 -7.158 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.410 1.951 -7.415 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.546 3.025 -6.623 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.994 4.733 -8.454 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.166 3.430 -9.285 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.453 5.126 -4.820 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.809 6.397 -4.216 1.00 0.21 C ATOM 1609 C ILE A 131 0.442 7.253 -3.905 1.00 0.22 C ATOM 1610 O ILE A 131 0.465 8.440 -4.193 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.661 6.186 -2.945 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.160 6.089 -3.275 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.455 7.320 -1.959 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.548 5.035 -4.292 1.00 0.23 C ATOM 0 H ILE A 131 -0.679 4.312 -4.248 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.409 6.945 -4.942 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.332 5.246 -2.502 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.703 5.892 -2.351 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.495 7.060 -3.641 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.066 7.147 -1.073 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.404 7.366 -1.672 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.746 8.263 -2.423 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.627 5.058 -4.446 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.042 5.237 -5.236 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.254 4.051 -3.926 1.00 0.23 H new ATOM 1626 N LEU A 132 1.486 6.659 -3.332 1.00 0.18 N ATOM 1627 CA LEU A 132 2.710 7.422 -3.029 1.00 0.20 C ATOM 1628 C LEU A 132 3.215 8.109 -4.280 1.00 0.25 C ATOM 1629 O LEU A 132 3.690 9.242 -4.248 1.00 0.29 O ATOM 1630 CB LEU A 132 3.841 6.537 -2.519 1.00 0.21 C ATOM 1631 CG LEU A 132 3.481 5.566 -1.419 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.110 4.231 -1.744 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.958 6.056 -0.055 1.00 0.25 C ATOM 0 H LEU A 132 1.518 5.674 -3.070 1.00 0.18 H new ATOM 0 HA LEU A 132 2.437 8.138 -2.254 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.239 5.970 -3.361 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.644 7.180 -2.160 1.00 0.21 H new ATOM 0 HG LEU A 132 2.396 5.476 -1.364 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.863 3.513 -0.962 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.729 3.872 -2.700 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.192 4.344 -1.805 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.680 5.331 0.710 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.042 6.172 -0.069 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.493 7.016 0.170 1.00 0.25 H new ATOM 1645 N GLN A 133 3.071 7.404 -5.384 1.00 0.28 N ATOM 1646 CA GLN A 133 3.585 7.872 -6.647 1.00 0.38 C ATOM 1647 C GLN A 133 2.550 8.768 -7.323 1.00 0.37 C ATOM 1648 O GLN A 133 2.897 9.603 -8.156 1.00 0.47 O ATOM 1649 CB GLN A 133 3.974 6.678 -7.536 1.00 0.58 C ATOM 1650 CG GLN A 133 2.815 6.032 -8.275 1.00 0.79 C ATOM 1651 CD GLN A 133 3.016 4.547 -8.539 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.627 3.843 -7.593 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.583 4.029 -9.568 1.00 0.31 N flip ATOM 0 H GLN A 133 2.599 6.501 -5.428 1.00 0.28 H new ATOM 0 HA GLN A 133 4.485 8.464 -6.481 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.712 7.011 -8.266 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.457 5.923 -6.916 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.903 6.170 -7.695 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.669 6.545 -9.225 1.00 0.79 H new ATOM 0 HE21 GLN A 133 2.119 4.603 -10.272 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.688 3.025 -9.717 1.00 0.31 H new