USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 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 NoAdj-H: A 37 ARGHH21 : A 37 ARG NH2 : A 35 LEU O :(H bumps) USER MOD Set 1.1: A 38 ASN : amide:sc= -4.54! C(o=-4.8!,f=-7.1!) USER MOD Set 1.2: A 42 THR OG1 : rot -130:sc= -0.266 USER MOD Single : A 2 THR OG1 : rot 11:sc= 0.802 USER MOD Single : A 4 LYS NZ :NH3+ 138:sc= -0.708 (180deg=-2.12!) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.2 F(o=-2.6!,f=-0.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00375 USER MOD Single : A 21 MET CE :methyl -162:sc= -0.212 (180deg=-1.37!) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= -0.244 (180deg=-1.45!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 47 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -172:sc= -2.54! USER MOD Single : A 71 GLN : amide:sc= -3.45 X(o=-3.4,f=-3.8!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 SER OG : rot 27:sc= 1.43 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.378 -13.024 18.563 1.00 0.00 N ATOM 21 CA THR A 2 50.803 -12.716 18.520 1.00 0.00 C ATOM 22 C THR A 2 51.462 -13.398 17.330 1.00 0.00 C ATOM 23 O THR A 2 51.079 -14.504 16.951 1.00 0.00 O ATOM 24 CB THR A 2 51.489 -13.204 19.804 1.00 0.00 C ATOM 25 OG1 THR A 2 50.501 -13.611 20.740 1.00 0.00 O ATOM 26 CG2 THR A 2 52.330 -12.077 20.404 1.00 0.00 C ATOM 0 HA THR A 2 50.910 -11.635 18.427 1.00 0.00 H new ATOM 0 HB THR A 2 52.139 -14.047 19.568 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.629 -13.659 20.295 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.814 -12.430 21.315 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.089 -11.768 19.686 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.687 -11.229 20.640 1.00 0.00 H new ATOM 34 N VAL A 3 52.481 -12.757 16.766 1.00 0.00 N ATOM 35 CA VAL A 3 53.198 -13.333 15.667 1.00 0.00 C ATOM 36 C VAL A 3 54.638 -12.994 15.797 1.00 0.00 C ATOM 37 O VAL A 3 55.014 -11.854 16.058 1.00 0.00 O ATOM 38 CB VAL A 3 52.702 -12.825 14.348 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.519 -13.673 13.926 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.296 -11.356 14.482 1.00 0.00 C ATOM 0 H VAL A 3 52.818 -11.841 17.061 1.00 0.00 H new ATOM 0 HA VAL A 3 53.044 -14.412 15.696 1.00 0.00 H new ATOM 0 HB VAL A 3 53.485 -12.892 13.593 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.142 -13.319 12.966 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.832 -14.713 13.832 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.731 -13.597 14.676 1.00 0.00 H new ATOM 0 HG21 VAL A 3 51.936 -10.989 13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.504 -11.264 15.226 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.158 -10.767 14.795 1.00 0.00 H new ATOM 50 N LYS A 4 55.425 -14.006 15.631 1.00 0.00 N ATOM 51 CA LYS A 4 56.830 -13.877 15.741 1.00 0.00 C ATOM 52 C LYS A 4 57.511 -14.928 14.916 1.00 0.00 C ATOM 53 O LYS A 4 57.093 -16.086 14.888 1.00 0.00 O ATOM 54 CB LYS A 4 57.247 -13.983 17.189 1.00 0.00 C ATOM 55 CG LYS A 4 56.942 -15.378 17.750 1.00 0.00 C ATOM 56 CD LYS A 4 55.483 -15.814 17.488 1.00 0.00 C ATOM 57 CE LYS A 4 54.472 -14.794 18.053 1.00 0.00 C ATOM 58 NZ LYS A 4 54.421 -14.918 19.537 1.00 0.00 N ATOM 0 H LYS A 4 55.103 -14.949 15.414 1.00 0.00 H new ATOM 0 HA LYS A 4 57.128 -12.898 15.366 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.313 -13.776 17.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.725 -13.229 17.777 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.621 -16.103 17.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.133 -15.384 18.823 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.324 -15.928 16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.308 -16.790 17.942 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.764 -13.782 17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 4 53.484 -14.971 17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.391 -13.970 19.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.570 -15.449 19.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.267 -15.422 19.873 1.00 0.00 H new ATOM 72 N GLN A 5 58.536 -14.510 14.211 1.00 0.00 N ATOM 73 CA GLN A 5 59.238 -15.427 13.338 1.00 0.00 C ATOM 74 C GLN A 5 60.729 -15.142 13.286 1.00 0.00 C ATOM 75 O GLN A 5 61.180 -14.019 13.492 1.00 0.00 O ATOM 76 CB GLN A 5 58.648 -15.299 11.947 1.00 0.00 C ATOM 77 CG GLN A 5 57.132 -15.119 12.058 1.00 0.00 C ATOM 78 CD GLN A 5 56.503 -15.139 10.668 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.886 -14.264 9.778 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.642 -15.973 10.386 1.00 0.00 N flip ATOM 0 H GLN A 5 58.900 -13.557 14.222 1.00 0.00 H new ATOM 0 HA GLN A 5 59.118 -16.438 13.727 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.090 -14.448 11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 5 58.879 -16.187 11.358 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.707 -15.914 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 5 56.905 -14.176 12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.345 -16.655 11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.226 -15.982 9.455 1.00 0.00 H new ATOM 89 N THR A 6 61.483 -16.179 13.004 1.00 0.00 N ATOM 90 CA THR A 6 62.917 -16.073 12.910 1.00 0.00 C ATOM 91 C THR A 6 63.342 -15.902 11.456 1.00 0.00 C ATOM 92 O THR A 6 63.299 -16.854 10.677 1.00 0.00 O ATOM 93 CB THR A 6 63.538 -17.341 13.492 1.00 0.00 C ATOM 94 OG1 THR A 6 62.558 -18.036 14.250 1.00 0.00 O ATOM 95 CG2 THR A 6 64.702 -16.963 14.393 1.00 0.00 C ATOM 0 H THR A 6 61.119 -17.117 12.834 1.00 0.00 H new ATOM 0 HA THR A 6 63.258 -15.201 13.469 1.00 0.00 H new ATOM 0 HB THR A 6 63.896 -17.980 12.685 1.00 0.00 H new ATOM 0 HG1 THR A 6 62.952 -18.852 14.624 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.147 -17.866 14.810 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.451 -16.424 13.813 1.00 0.00 H new ATOM 0 HG23 THR A 6 64.344 -16.328 15.203 1.00 0.00 H new ATOM 103 N VAL A 7 63.759 -14.689 11.090 1.00 0.00 N ATOM 104 CA VAL A 7 64.190 -14.442 9.715 1.00 0.00 C ATOM 105 C VAL A 7 65.715 -14.460 9.625 1.00 0.00 C ATOM 106 O VAL A 7 66.394 -13.637 10.237 1.00 0.00 O ATOM 107 CB VAL A 7 63.653 -13.085 9.212 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.287 -13.175 7.718 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.408 -12.688 10.015 1.00 0.00 C ATOM 0 H VAL A 7 63.807 -13.880 11.710 1.00 0.00 H new ATOM 0 HA VAL A 7 63.787 -15.234 9.084 1.00 0.00 H new ATOM 0 HB VAL A 7 64.430 -12.333 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.910 -12.211 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.173 -13.442 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.519 -13.936 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.034 -11.730 9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.637 -13.448 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.667 -12.603 11.070 1.00 0.00 H new ATOM 119 N GLU A 8 66.247 -15.397 8.849 1.00 0.00 N ATOM 120 CA GLU A 8 67.691 -15.501 8.682 1.00 0.00 C ATOM 121 C GLU A 8 68.173 -14.420 7.724 1.00 0.00 C ATOM 122 O GLU A 8 67.537 -14.162 6.702 1.00 0.00 O ATOM 123 CB GLU A 8 68.058 -16.884 8.143 1.00 0.00 C ATOM 124 CG GLU A 8 67.632 -17.951 9.155 1.00 0.00 C ATOM 125 CD GLU A 8 67.890 -19.342 8.586 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.921 -19.910 8.907 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.052 -19.819 7.838 1.00 0.00 O ATOM 0 H GLU A 8 65.706 -16.089 8.330 1.00 0.00 H new ATOM 0 HA GLU A 8 68.175 -15.364 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.565 -17.057 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.132 -16.944 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.184 -17.822 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.574 -17.837 9.393 1.00 0.00 H new ATOM 134 N ILE A 9 69.287 -13.773 8.062 1.00 0.00 N ATOM 135 CA ILE A 9 69.813 -12.705 7.216 1.00 0.00 C ATOM 136 C ILE A 9 71.021 -13.161 6.411 1.00 0.00 C ATOM 137 O ILE A 9 71.650 -14.175 6.712 1.00 0.00 O ATOM 138 CB ILE A 9 70.251 -11.480 8.044 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.705 -11.535 9.498 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.785 -10.217 7.332 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.381 -10.754 9.671 1.00 0.00 C ATOM 0 H ILE A 9 69.834 -13.965 8.901 1.00 0.00 H new ATOM 0 HA ILE A 9 68.995 -12.436 6.547 1.00 0.00 H new ATOM 0 HB ILE A 9 71.338 -11.479 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.548 -12.575 9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.453 -11.128 10.178 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.088 -9.342 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.234 -10.172 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.699 -10.231 7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.048 -10.828 10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.540 -9.707 9.415 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.621 -11.177 9.014 1.00 0.00 H new ATOM 311 N ALA A 20 62.427 -1.059 7.994 1.00 0.00 N ATOM 312 CA ALA A 20 62.455 -1.388 9.412 1.00 0.00 C ATOM 313 C ALA A 20 61.816 -0.263 10.205 1.00 0.00 C ATOM 314 O ALA A 20 61.345 -0.459 11.325 1.00 0.00 O ATOM 315 CB ALA A 20 63.897 -1.592 9.870 1.00 0.00 C ATOM 0 HA ALA A 20 61.898 -2.310 9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.910 -1.838 10.932 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.347 -2.407 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.465 -0.677 9.702 1.00 0.00 H new ATOM 321 N MET A 21 61.807 0.917 9.607 1.00 0.00 N ATOM 322 CA MET A 21 61.226 2.079 10.240 1.00 0.00 C ATOM 323 C MET A 21 59.752 2.185 9.885 1.00 0.00 C ATOM 324 O MET A 21 58.958 2.704 10.670 1.00 0.00 O ATOM 325 CB MET A 21 61.993 3.334 9.823 1.00 0.00 C ATOM 326 CG MET A 21 63.376 3.311 10.495 1.00 0.00 C ATOM 327 SD MET A 21 64.149 4.948 10.390 1.00 0.00 S ATOM 328 CE MET A 21 63.763 5.303 8.658 1.00 0.00 C ATOM 0 H MET A 21 62.198 1.091 8.681 1.00 0.00 H new ATOM 0 HA MET A 21 61.302 1.980 11.323 1.00 0.00 H new ATOM 0 HB2 MET A 21 62.100 3.369 8.739 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.444 4.228 10.118 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.276 3.014 11.539 1.00 0.00 H new ATOM 0 HG3 MET A 21 64.011 2.569 10.012 1.00 0.00 H new ATOM 0 HE1 MET A 21 64.410 6.103 8.298 1.00 0.00 H new ATOM 0 HE2 MET A 21 63.925 4.408 8.058 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.721 5.612 8.573 1.00 0.00 H new ATOM 338 N LYS A 22 59.370 1.658 8.719 1.00 0.00 N ATOM 339 CA LYS A 22 57.966 1.691 8.346 1.00 0.00 C ATOM 340 C LYS A 22 57.185 0.978 9.432 1.00 0.00 C ATOM 341 O LYS A 22 56.136 1.442 9.849 1.00 0.00 O ATOM 342 CB LYS A 22 57.714 1.025 6.984 1.00 0.00 C ATOM 343 CG LYS A 22 58.051 -0.469 7.052 1.00 0.00 C ATOM 344 CD LYS A 22 56.805 -1.303 7.353 1.00 0.00 C ATOM 345 CE LYS A 22 56.011 -1.544 6.064 1.00 0.00 C ATOM 346 NZ LYS A 22 56.881 -2.227 5.065 1.00 0.00 N ATOM 0 H LYS A 22 59.994 1.219 8.042 1.00 0.00 H new ATOM 0 HA LYS A 22 57.645 2.728 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.671 1.157 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.321 1.507 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.487 -0.790 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.802 -0.641 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.094 -2.256 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 22 56.181 -0.788 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 55.132 -2.154 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.653 -0.596 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.296 -2.826 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.375 -1.515 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.580 -2.818 5.559 1.00 0.00 H new ATOM 360 N LEU A 23 57.747 -0.128 9.928 1.00 0.00 N ATOM 361 CA LEU A 23 57.135 -0.879 11.005 1.00 0.00 C ATOM 362 C LEU A 23 56.466 0.091 11.957 1.00 0.00 C ATOM 363 O LEU A 23 55.352 -0.126 12.430 1.00 0.00 O ATOM 364 CB LEU A 23 58.247 -1.604 11.767 1.00 0.00 C ATOM 365 CG LEU A 23 58.406 -3.059 11.310 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.271 -3.139 10.040 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.096 -3.829 12.433 1.00 0.00 C ATOM 0 H LEU A 23 58.628 -0.517 9.593 1.00 0.00 H new ATOM 0 HA LEU A 23 56.405 -1.586 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.189 -1.074 11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.028 -1.582 12.835 1.00 0.00 H new ATOM 0 HG LEU A 23 57.426 -3.481 11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.371 -4.180 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.797 -2.569 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.258 -2.725 10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.223 -4.870 12.136 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.072 -3.387 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.486 -3.781 13.335 1.00 0.00 H new ATOM 379 N PHE A 24 57.198 1.154 12.236 1.00 0.00 N ATOM 380 CA PHE A 24 56.747 2.183 13.146 1.00 0.00 C ATOM 381 C PHE A 24 55.667 3.057 12.496 1.00 0.00 C ATOM 382 O PHE A 24 54.514 3.089 12.943 1.00 0.00 O ATOM 383 CB PHE A 24 57.950 3.050 13.528 1.00 0.00 C ATOM 384 CG PHE A 24 59.231 2.225 13.629 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.468 2.886 13.597 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.203 0.822 13.755 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.658 2.163 13.685 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.401 0.107 13.838 1.00 0.00 C ATOM 389 CZ PHE A 24 61.623 0.776 13.801 1.00 0.00 C ATOM 0 H PHE A 24 58.121 1.325 11.837 1.00 0.00 H new ATOM 0 HA PHE A 24 56.314 1.716 14.031 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.082 3.837 12.786 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.757 3.541 14.482 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.499 3.962 13.504 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.258 0.300 13.787 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.606 2.679 13.663 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.380 -0.969 13.931 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.545 0.217 13.862 1.00 0.00 H new ATOM 399 N GLU A 25 56.038 3.741 11.421 1.00 0.00 N ATOM 400 CA GLU A 25 55.099 4.586 10.706 1.00 0.00 C ATOM 401 C GLU A 25 53.949 3.727 10.221 1.00 0.00 C ATOM 402 O GLU A 25 52.827 4.193 10.029 1.00 0.00 O ATOM 403 CB GLU A 25 55.815 5.242 9.525 1.00 0.00 C ATOM 404 CG GLU A 25 54.820 5.528 8.404 1.00 0.00 C ATOM 405 CD GLU A 25 55.400 6.553 7.435 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.636 7.105 6.660 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.599 6.772 7.481 1.00 0.00 O ATOM 0 H GLU A 25 56.979 3.725 11.029 1.00 0.00 H new ATOM 0 HA GLU A 25 54.712 5.369 11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.289 6.169 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.607 4.588 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.585 4.606 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 25 53.886 5.901 8.823 1.00 0.00 H new ATOM 414 N LEU A 26 54.257 2.459 10.043 1.00 0.00 N ATOM 415 CA LEU A 26 53.282 1.486 9.602 1.00 0.00 C ATOM 416 C LEU A 26 52.451 1.049 10.796 1.00 0.00 C ATOM 417 O LEU A 26 51.283 0.692 10.658 1.00 0.00 O ATOM 418 CB LEU A 26 54.021 0.305 8.965 1.00 0.00 C ATOM 419 CG LEU A 26 53.050 -0.786 8.516 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.552 -1.568 9.736 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.868 -0.161 7.765 1.00 0.00 C ATOM 0 H LEU A 26 55.189 2.075 10.200 1.00 0.00 H new ATOM 0 HA LEU A 26 52.610 1.912 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.598 0.655 8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.731 -0.110 9.680 1.00 0.00 H new ATOM 0 HG LEU A 26 53.566 -1.471 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.860 -2.345 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.400 -2.026 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.042 -0.889 10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.181 -0.946 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.346 0.534 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.235 0.374 6.889 1.00 0.00 H new ATOM 433 N MET A 27 53.046 1.124 11.981 1.00 0.00 N ATOM 434 CA MET A 27 52.318 0.774 13.185 1.00 0.00 C ATOM 435 C MET A 27 51.102 1.674 13.243 1.00 0.00 C ATOM 436 O MET A 27 50.047 1.298 13.752 1.00 0.00 O ATOM 437 CB MET A 27 53.204 0.939 14.436 1.00 0.00 C ATOM 438 CG MET A 27 52.915 2.267 15.149 1.00 0.00 C ATOM 439 SD MET A 27 51.388 2.116 16.115 1.00 0.00 S ATOM 440 CE MET A 27 52.094 2.491 17.739 1.00 0.00 C ATOM 0 H MET A 27 54.011 1.418 12.129 1.00 0.00 H new ATOM 0 HA MET A 27 52.014 -0.273 13.164 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.029 0.110 15.121 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.255 0.898 14.149 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.747 2.529 15.803 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.818 3.070 14.419 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.309 2.452 18.495 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.865 1.759 17.978 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.533 3.489 17.723 1.00 0.00 H new ATOM 450 N GLN A 28 51.256 2.862 12.663 1.00 0.00 N ATOM 451 CA GLN A 28 50.152 3.799 12.600 1.00 0.00 C ATOM 452 C GLN A 28 49.135 3.237 11.613 1.00 0.00 C ATOM 453 O GLN A 28 47.962 3.612 11.616 1.00 0.00 O ATOM 454 CB GLN A 28 50.658 5.187 12.163 1.00 0.00 C ATOM 455 CG GLN A 28 49.686 5.832 11.170 1.00 0.00 C ATOM 456 CD GLN A 28 50.072 7.289 10.937 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.031 7.780 11.531 1.00 0.00 O ATOM 458 NE2 GLN A 28 49.378 8.012 10.101 1.00 0.00 N ATOM 0 H GLN A 28 52.123 3.190 12.238 1.00 0.00 H new ATOM 0 HA GLN A 28 49.686 3.925 13.577 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.772 5.829 13.036 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.643 5.093 11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.702 5.287 10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.668 5.774 11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.583 7.602 9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.630 8.987 9.939 1.00 0.00 H new ATOM 467 N GLY A 29 49.608 2.300 10.789 1.00 0.00 N ATOM 468 CA GLY A 29 48.750 1.636 9.807 1.00 0.00 C ATOM 469 C GLY A 29 48.175 0.364 10.415 1.00 0.00 C ATOM 470 O GLY A 29 46.960 0.166 10.440 1.00 0.00 O ATOM 0 H GLY A 29 50.578 1.985 10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.944 2.303 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.322 1.397 8.910 1.00 0.00 H new ATOM 474 N PHE A 30 49.062 -0.474 10.951 1.00 0.00 N ATOM 475 CA PHE A 30 48.642 -1.706 11.614 1.00 0.00 C ATOM 476 C PHE A 30 48.790 -1.510 13.112 1.00 0.00 C ATOM 477 O PHE A 30 49.794 -0.968 13.572 1.00 0.00 O ATOM 478 CB PHE A 30 49.497 -2.910 11.223 1.00 0.00 C ATOM 479 CG PHE A 30 49.685 -3.042 9.733 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.894 -2.373 8.796 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.706 -3.861 9.308 1.00 0.00 C ATOM 482 CE1 PHE A 30 49.160 -2.544 7.428 1.00 0.00 C ATOM 483 CE2 PHE A 30 50.979 -4.041 7.964 1.00 0.00 C ATOM 484 CZ PHE A 30 50.211 -3.381 7.012 1.00 0.00 C ATOM 0 H PHE A 30 50.071 -0.323 10.939 1.00 0.00 H new ATOM 0 HA PHE A 30 47.614 -1.907 11.313 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.473 -2.825 11.700 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.032 -3.818 11.607 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.087 -1.732 9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.309 -4.376 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.556 -2.032 6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 30 51.785 -4.691 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.420 -3.510 5.960 1.00 0.00 H new ATOM 494 N ASP A 31 47.820 -1.975 13.880 1.00 0.00 N ATOM 495 CA ASP A 31 47.906 -1.858 15.314 1.00 0.00 C ATOM 496 C ASP A 31 48.584 -3.100 15.813 1.00 0.00 C ATOM 497 O ASP A 31 47.978 -4.168 15.868 1.00 0.00 O ATOM 498 CB ASP A 31 46.518 -1.715 15.929 1.00 0.00 C ATOM 499 CG ASP A 31 46.631 -1.520 17.437 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.609 -1.293 18.064 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.738 -1.602 17.944 1.00 0.00 O ATOM 0 H ASP A 31 46.976 -2.431 13.534 1.00 0.00 H new ATOM 0 HA ASP A 31 48.471 -0.969 15.596 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.000 -0.866 15.483 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.923 -2.602 15.713 1.00 0.00 H new ATOM 506 N ALA A 32 49.858 -2.979 16.128 1.00 0.00 N ATOM 507 CA ALA A 32 50.593 -4.114 16.561 1.00 0.00 C ATOM 508 C ALA A 32 51.919 -3.684 17.128 1.00 0.00 C ATOM 509 O ALA A 32 52.499 -2.678 16.719 1.00 0.00 O ATOM 510 CB ALA A 32 50.789 -5.055 15.390 1.00 0.00 C ATOM 0 H ALA A 32 50.388 -2.108 16.088 1.00 0.00 H new ATOM 0 HA ALA A 32 50.042 -4.633 17.345 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.353 -5.929 15.716 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.817 -5.371 15.011 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.338 -4.543 14.600 1.00 0.00 H new ATOM 516 N GLU A 33 52.373 -4.444 18.087 1.00 0.00 N ATOM 517 CA GLU A 33 53.609 -4.162 18.752 1.00 0.00 C ATOM 518 C GLU A 33 54.687 -5.081 18.240 1.00 0.00 C ATOM 519 O GLU A 33 54.900 -6.182 18.747 1.00 0.00 O ATOM 520 CB GLU A 33 53.382 -4.352 20.227 1.00 0.00 C ATOM 521 CG GLU A 33 53.953 -3.160 20.982 1.00 0.00 C ATOM 522 CD GLU A 33 53.963 -3.437 22.481 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.994 -3.999 22.966 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.938 -3.084 23.123 1.00 0.00 O ATOM 0 H GLU A 33 51.893 -5.277 18.428 1.00 0.00 H new ATOM 0 HA GLU A 33 53.936 -3.140 18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.316 -4.451 20.433 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.858 -5.273 20.564 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.966 -2.954 20.637 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.358 -2.271 20.774 1.00 0.00 H new ATOM 531 N VAL A 34 55.348 -4.602 17.221 1.00 0.00 N ATOM 532 CA VAL A 34 56.411 -5.350 16.587 1.00 0.00 C ATOM 533 C VAL A 34 57.691 -5.219 17.389 1.00 0.00 C ATOM 534 O VAL A 34 58.096 -4.115 17.745 1.00 0.00 O ATOM 535 CB VAL A 34 56.654 -4.839 15.166 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.440 -5.890 14.375 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.318 -4.553 14.474 1.00 0.00 C ATOM 0 H VAL A 34 55.170 -3.688 16.805 1.00 0.00 H new ATOM 0 HA VAL A 34 56.112 -6.397 16.544 1.00 0.00 H new ATOM 0 HB VAL A 34 57.229 -3.914 15.209 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.614 -5.528 13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.397 -6.073 14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.869 -6.818 14.335 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.502 -4.190 13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.728 -5.469 14.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.771 -3.797 15.037 1.00 0.00 H new ATOM 547 N LEU A 35 58.326 -6.346 17.681 1.00 0.00 N ATOM 548 CA LEU A 35 59.559 -6.314 18.446 1.00 0.00 C ATOM 549 C LEU A 35 60.634 -7.134 17.723 1.00 0.00 C ATOM 550 O LEU A 35 60.432 -8.302 17.431 1.00 0.00 O ATOM 551 CB LEU A 35 59.251 -6.831 19.867 1.00 0.00 C ATOM 552 CG LEU A 35 60.468 -7.427 20.614 1.00 0.00 C ATOM 553 CD1 LEU A 35 60.536 -8.938 20.374 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.785 -6.758 20.191 1.00 0.00 C ATOM 0 H LEU A 35 58.013 -7.277 17.405 1.00 0.00 H new ATOM 0 HA LEU A 35 59.954 -5.302 18.534 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.845 -6.010 20.458 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.473 -7.592 19.802 1.00 0.00 H new ATOM 0 HG LEU A 35 60.334 -7.234 21.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.395 -9.352 20.902 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.623 -9.406 20.742 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.639 -9.133 19.306 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.613 -7.206 20.739 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.938 -6.901 19.121 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.739 -5.692 20.412 1.00 0.00 H new ATOM 566 N LEU A 36 61.747 -6.469 17.396 1.00 0.00 N ATOM 567 CA LEU A 36 62.870 -7.064 16.654 1.00 0.00 C ATOM 568 C LEU A 36 64.039 -7.514 17.553 1.00 0.00 C ATOM 569 O LEU A 36 64.546 -6.725 18.341 1.00 0.00 O ATOM 570 CB LEU A 36 63.396 -6.022 15.675 1.00 0.00 C ATOM 571 CG LEU A 36 62.584 -6.083 14.384 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.103 -5.880 14.704 1.00 0.00 C ATOM 573 CD2 LEU A 36 63.051 -4.976 13.446 1.00 0.00 C ATOM 0 H LEU A 36 61.898 -5.490 17.641 1.00 0.00 H new ATOM 0 HA LEU A 36 62.489 -7.956 16.156 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.327 -5.027 16.114 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.450 -6.205 15.464 1.00 0.00 H new ATOM 0 HG LEU A 36 62.725 -7.054 13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.522 -5.923 13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.766 -6.664 15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.963 -4.907 15.176 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.474 -5.015 12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.905 -4.008 13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.108 -5.113 13.220 1.00 0.00 H new ATOM 585 N ARG A 37 64.491 -8.777 17.405 1.00 0.00 N ATOM 586 CA ARG A 37 65.616 -9.279 18.180 1.00 0.00 C ATOM 587 C ARG A 37 66.395 -10.330 17.410 1.00 0.00 C ATOM 588 O ARG A 37 65.859 -10.992 16.528 1.00 0.00 O ATOM 589 CB ARG A 37 65.149 -9.923 19.482 1.00 0.00 C ATOM 590 CG ARG A 37 64.102 -10.995 19.206 1.00 0.00 C ATOM 591 CD ARG A 37 62.893 -10.340 18.575 1.00 0.00 C ATOM 592 NE ARG A 37 63.178 -10.122 17.168 1.00 0.00 N ATOM 593 CZ ARG A 37 62.260 -9.680 16.329 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.589 -9.428 15.083 1.00 0.00 N ATOM 595 NH2 ARG A 37 61.028 -9.526 16.736 1.00 0.00 N ATOM 0 H ARG A 37 64.089 -9.454 16.757 1.00 0.00 H new ATOM 0 HA ARG A 37 66.250 -8.417 18.389 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.000 -10.364 20.001 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.732 -9.162 20.141 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.508 -11.758 18.542 1.00 0.00 H new ATOM 0 HG3 ARG A 37 63.820 -11.496 20.132 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.014 -10.973 18.691 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.672 -9.394 19.069 1.00 0.00 H new ATOM 0 HE ARG A 37 64.116 -10.316 16.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.549 -9.574 14.769 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.885 -9.086 14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 37 60.316 -9.185 16.090 1.00 0.00 H new ATOM 609 N ASN A 38 67.643 -10.536 17.812 1.00 0.00 N ATOM 610 CA ASN A 38 68.460 -11.576 17.202 1.00 0.00 C ATOM 611 C ASN A 38 68.461 -12.774 18.119 1.00 0.00 C ATOM 612 O ASN A 38 68.668 -12.627 19.330 1.00 0.00 O ATOM 613 CB ASN A 38 69.921 -11.179 17.046 1.00 0.00 C ATOM 614 CG ASN A 38 70.131 -10.124 15.992 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.335 -9.982 15.066 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.189 -9.375 16.082 1.00 0.00 N ATOM 0 H ASN A 38 68.107 -10.004 18.548 1.00 0.00 H new ATOM 0 HA ASN A 38 68.034 -11.769 16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.297 -10.811 18.001 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.507 -12.062 16.791 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.368 -8.658 15.379 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.841 -9.504 16.856 1.00 0.00 H new ATOM 623 N ASP A 39 68.288 -13.953 17.553 1.00 0.00 N ATOM 624 CA ASP A 39 68.322 -15.160 18.373 1.00 0.00 C ATOM 625 C ASP A 39 69.632 -15.191 19.151 1.00 0.00 C ATOM 626 O ASP A 39 69.844 -16.044 20.014 1.00 0.00 O ATOM 627 CB ASP A 39 68.200 -16.412 17.509 1.00 0.00 C ATOM 628 CG ASP A 39 68.075 -17.646 18.397 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.214 -18.742 17.878 1.00 0.00 O ATOM 630 OD2 ASP A 39 67.842 -17.477 19.582 1.00 0.00 O ATOM 0 H ASP A 39 68.126 -14.106 16.557 1.00 0.00 H new ATOM 0 HA ASP A 39 67.478 -15.145 19.062 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.329 -16.332 16.858 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.073 -16.505 16.863 1.00 0.00 H new ATOM 635 N GLU A 40 70.502 -14.233 18.836 1.00 0.00 N ATOM 636 CA GLU A 40 71.794 -14.114 19.498 1.00 0.00 C ATOM 637 C GLU A 40 71.611 -13.536 20.892 1.00 0.00 C ATOM 638 O GLU A 40 72.471 -13.680 21.760 1.00 0.00 O ATOM 639 CB GLU A 40 72.687 -13.158 18.700 1.00 0.00 C ATOM 640 CG GLU A 40 73.358 -13.891 17.535 1.00 0.00 C ATOM 641 CD GLU A 40 74.251 -15.012 18.057 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.357 -14.715 18.476 1.00 0.00 O ATOM 643 OE2 GLU A 40 73.815 -16.152 18.030 1.00 0.00 O ATOM 0 H GLU A 40 70.331 -13.525 18.122 1.00 0.00 H new ATOM 0 HA GLU A 40 72.249 -15.102 19.560 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.091 -12.328 18.320 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.447 -12.731 19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.599 -14.302 16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.950 -13.189 16.948 1.00 0.00 H new ATOM 650 N GLY A 41 70.490 -12.855 21.080 1.00 0.00 N ATOM 651 CA GLY A 41 70.189 -12.216 22.350 1.00 0.00 C ATOM 652 C GLY A 41 70.005 -10.722 22.132 1.00 0.00 C ATOM 653 O GLY A 41 69.728 -9.973 23.068 1.00 0.00 O ATOM 0 H GLY A 41 69.772 -12.731 20.366 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.285 -12.646 22.781 1.00 0.00 H new ATOM 0 HA3 GLY A 41 70.997 -12.394 23.060 1.00 0.00 H new ATOM 657 N THR A 42 70.149 -10.298 20.875 1.00 0.00 N ATOM 658 CA THR A 42 69.981 -8.883 20.536 1.00 0.00 C ATOM 659 C THR A 42 68.497 -8.551 20.519 1.00 0.00 C ATOM 660 O THR A 42 67.710 -9.302 19.955 1.00 0.00 O ATOM 661 CB THR A 42 70.593 -8.586 19.160 1.00 0.00 C ATOM 662 OG1 THR A 42 71.776 -9.354 18.994 1.00 0.00 O ATOM 663 CG2 THR A 42 70.931 -7.101 19.047 1.00 0.00 C ATOM 0 H THR A 42 70.378 -10.903 20.086 1.00 0.00 H new ATOM 0 HA THR A 42 70.491 -8.272 21.281 1.00 0.00 H new ATOM 0 HB THR A 42 69.873 -8.848 18.385 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.506 -8.771 18.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 71.365 -6.900 18.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 70.023 -6.511 19.170 1.00 0.00 H new ATOM 0 HG23 THR A 42 71.647 -6.831 19.823 1.00 0.00 H new ATOM 671 N GLU A 43 68.107 -7.443 21.150 1.00 0.00 N ATOM 672 CA GLU A 43 66.689 -7.077 21.195 1.00 0.00 C ATOM 673 C GLU A 43 66.448 -5.633 20.759 1.00 0.00 C ATOM 674 O GLU A 43 67.112 -4.707 21.224 1.00 0.00 O ATOM 675 CB GLU A 43 66.142 -7.286 22.615 1.00 0.00 C ATOM 676 CG GLU A 43 67.267 -7.100 23.636 1.00 0.00 C ATOM 677 CD GLU A 43 67.970 -5.767 23.407 1.00 0.00 C ATOM 678 OE1 GLU A 43 67.353 -4.744 23.656 1.00 0.00 O ATOM 679 OE2 GLU A 43 69.115 -5.788 22.986 1.00 0.00 O ATOM 0 H GLU A 43 68.735 -6.796 21.627 1.00 0.00 H new ATOM 0 HA GLU A 43 66.164 -7.724 20.492 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.338 -6.577 22.813 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.716 -8.285 22.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.860 -7.136 24.647 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.984 -7.917 23.551 1.00 0.00 H new ATOM 686 N ALA A 44 65.476 -5.458 19.862 1.00 0.00 N ATOM 687 CA ALA A 44 65.125 -4.137 19.360 1.00 0.00 C ATOM 688 C ALA A 44 63.616 -3.971 19.247 1.00 0.00 C ATOM 689 O ALA A 44 62.955 -4.698 18.507 1.00 0.00 O ATOM 690 CB ALA A 44 65.750 -3.926 17.985 1.00 0.00 C ATOM 0 H ALA A 44 64.920 -6.218 19.471 1.00 0.00 H new ATOM 0 HA ALA A 44 65.506 -3.399 20.066 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.485 -2.936 17.613 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.834 -4.006 18.062 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.378 -4.684 17.296 1.00 0.00 H new ATOM 696 N GLU A 45 63.085 -2.988 19.965 1.00 0.00 N ATOM 697 CA GLU A 45 61.656 -2.708 19.927 1.00 0.00 C ATOM 698 C GLU A 45 61.325 -1.869 18.702 1.00 0.00 C ATOM 699 O GLU A 45 61.714 -0.705 18.616 1.00 0.00 O ATOM 700 CB GLU A 45 61.241 -1.949 21.193 1.00 0.00 C ATOM 701 CG GLU A 45 60.465 -2.876 22.129 1.00 0.00 C ATOM 702 CD GLU A 45 61.355 -4.030 22.579 1.00 0.00 C ATOM 703 OE1 GLU A 45 62.563 -3.874 22.530 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.814 -5.053 22.965 1.00 0.00 O ATOM 0 H GLU A 45 63.621 -2.374 20.578 1.00 0.00 H new ATOM 0 HA GLU A 45 61.112 -3.651 19.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.125 -1.563 21.701 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.625 -1.090 20.926 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.113 -2.318 22.997 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.583 -3.264 21.620 1.00 0.00 H new ATOM 711 N ALA A 46 60.606 -2.463 17.758 1.00 0.00 N ATOM 712 CA ALA A 46 60.230 -1.754 16.546 1.00 0.00 C ATOM 713 C ALA A 46 59.831 -0.319 16.861 1.00 0.00 C ATOM 714 O ALA A 46 58.663 -0.034 17.122 1.00 0.00 O ATOM 715 CB ALA A 46 59.062 -2.460 15.890 1.00 0.00 C ATOM 0 H ALA A 46 60.275 -3.426 17.809 1.00 0.00 H new ATOM 0 HA ALA A 46 61.088 -1.741 15.873 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.780 -1.929 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.349 -3.481 15.639 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.216 -2.479 16.577 1.00 0.00 H new ATOM 721 N ASN A 47 60.811 0.570 16.836 1.00 0.00 N ATOM 722 CA ASN A 47 60.583 1.980 17.122 1.00 0.00 C ATOM 723 C ASN A 47 61.885 2.604 17.597 1.00 0.00 C ATOM 724 O ASN A 47 62.093 3.810 17.467 1.00 0.00 O ATOM 725 CB ASN A 47 59.500 2.148 18.199 1.00 0.00 C ATOM 726 CG ASN A 47 59.671 3.480 18.926 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.963 3.503 20.121 1.00 0.00 O ATOM 728 ND2 ASN A 47 59.505 4.597 18.271 1.00 0.00 N ATOM 0 H ASN A 47 61.780 0.339 16.619 1.00 0.00 H new ATOM 0 HA ASN A 47 60.241 2.478 16.215 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.512 2.101 17.740 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.559 1.327 18.913 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.617 5.491 18.750 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.263 4.576 17.280 1.00 0.00 H new ATOM 735 N SER A 48 62.763 1.768 18.144 1.00 0.00 N ATOM 736 CA SER A 48 64.046 2.246 18.630 1.00 0.00 C ATOM 737 C SER A 48 65.117 2.056 17.562 1.00 0.00 C ATOM 738 O SER A 48 65.921 1.128 17.637 1.00 0.00 O ATOM 739 CB SER A 48 64.434 1.483 19.893 1.00 0.00 C ATOM 740 OG SER A 48 63.655 1.955 20.985 1.00 0.00 O ATOM 0 H SER A 48 62.609 0.766 18.260 1.00 0.00 H new ATOM 0 HA SER A 48 63.964 3.308 18.861 1.00 0.00 H new ATOM 0 HB2 SER A 48 64.272 0.415 19.751 1.00 0.00 H new ATOM 0 HB3 SER A 48 65.495 1.619 20.103 1.00 0.00 H new ATOM 0 HG SER A 48 63.901 1.466 21.798 1.00 0.00 H new ATOM 746 N VAL A 49 65.120 2.938 16.565 1.00 0.00 N ATOM 747 CA VAL A 49 66.101 2.849 15.488 1.00 0.00 C ATOM 748 C VAL A 49 67.475 2.522 16.058 1.00 0.00 C ATOM 749 O VAL A 49 68.285 1.852 15.417 1.00 0.00 O ATOM 750 CB VAL A 49 66.170 4.171 14.719 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.449 3.895 13.238 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.836 4.913 14.855 1.00 0.00 C ATOM 0 H VAL A 49 64.462 3.713 16.481 1.00 0.00 H new ATOM 0 HA VAL A 49 65.794 2.056 14.806 1.00 0.00 H new ATOM 0 HB VAL A 49 66.973 4.783 15.130 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.497 4.839 12.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.399 3.370 13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.649 3.280 12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.886 5.854 14.307 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.034 4.298 14.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.638 5.116 15.908 1.00 0.00 H new ATOM 762 N ILE A 50 67.723 2.994 17.274 1.00 0.00 N ATOM 763 CA ILE A 50 68.973 2.756 17.943 1.00 0.00 C ATOM 764 C ILE A 50 69.150 1.264 18.148 1.00 0.00 C ATOM 765 O ILE A 50 70.234 0.714 17.954 1.00 0.00 O ATOM 766 CB ILE A 50 68.916 3.507 19.278 1.00 0.00 C ATOM 767 CG1 ILE A 50 70.085 4.489 19.381 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.938 2.540 20.453 1.00 0.00 C ATOM 769 CD1 ILE A 50 71.419 3.749 19.219 1.00 0.00 C ATOM 0 H ILE A 50 67.059 3.549 17.813 1.00 0.00 H new ATOM 0 HA ILE A 50 69.824 3.110 17.361 1.00 0.00 H new ATOM 0 HB ILE A 50 67.979 4.063 19.314 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.992 5.257 18.613 1.00 0.00 H new ATOM 0 HG13 ILE A 50 70.058 4.997 20.345 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.897 3.101 21.387 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.078 1.873 20.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.855 1.952 20.423 1.00 0.00 H new ATOM 0 HD11 ILE A 50 72.241 4.461 19.295 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.516 2.998 20.003 1.00 0.00 H new ATOM 0 HD13 ILE A 50 71.449 3.262 18.244 1.00 0.00 H new ATOM 781 N ALA A 51 68.060 0.619 18.526 1.00 0.00 N ATOM 782 CA ALA A 51 68.070 -0.806 18.740 1.00 0.00 C ATOM 783 C ALA A 51 68.262 -1.502 17.405 1.00 0.00 C ATOM 784 O ALA A 51 69.170 -2.313 17.238 1.00 0.00 O ATOM 785 CB ALA A 51 66.751 -1.231 19.384 1.00 0.00 C ATOM 0 H ALA A 51 67.158 1.066 18.690 1.00 0.00 H new ATOM 0 HA ALA A 51 68.887 -1.083 19.406 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.756 -2.309 19.547 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.631 -0.720 20.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.923 -0.968 18.726 1.00 0.00 H new ATOM 791 N LEU A 52 67.414 -1.149 16.447 1.00 0.00 N ATOM 792 CA LEU A 52 67.503 -1.714 15.117 1.00 0.00 C ATOM 793 C LEU A 52 68.941 -1.639 14.625 1.00 0.00 C ATOM 794 O LEU A 52 69.430 -2.557 13.968 1.00 0.00 O ATOM 795 CB LEU A 52 66.561 -0.951 14.182 1.00 0.00 C ATOM 796 CG LEU A 52 65.128 -1.494 14.338 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.386 -0.680 15.399 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.389 -1.390 13.002 1.00 0.00 C ATOM 0 H LEU A 52 66.659 -0.474 16.571 1.00 0.00 H new ATOM 0 HA LEU A 52 67.203 -2.762 15.134 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.585 0.114 14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.891 -1.059 13.149 1.00 0.00 H new ATOM 0 HG LEU A 52 65.169 -2.539 14.646 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.372 -1.064 15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.910 -0.760 16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.346 0.366 15.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.376 -1.775 13.116 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.348 -0.347 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.916 -1.974 12.248 1.00 0.00 H new ATOM 810 N LEU A 53 69.630 -0.555 14.970 1.00 0.00 N ATOM 811 CA LEU A 53 71.025 -0.418 14.574 1.00 0.00 C ATOM 812 C LEU A 53 71.838 -1.546 15.198 1.00 0.00 C ATOM 813 O LEU A 53 72.792 -2.050 14.607 1.00 0.00 O ATOM 814 CB LEU A 53 71.578 0.927 15.047 1.00 0.00 C ATOM 815 CG LEU A 53 72.736 1.359 14.135 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.189 2.059 12.887 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.652 2.322 14.895 1.00 0.00 C ATOM 0 H LEU A 53 69.255 0.224 15.511 1.00 0.00 H new ATOM 0 HA LEU A 53 71.094 -0.468 13.487 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.790 1.680 15.033 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.924 0.847 16.078 1.00 0.00 H new ATOM 0 HG LEU A 53 73.299 0.476 13.833 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.018 2.361 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.540 1.375 12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 53 71.620 2.940 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.474 2.629 14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.083 3.200 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.052 1.823 15.778 1.00 0.00 H new ATOM 829 N MET A 54 71.444 -1.925 16.406 1.00 0.00 N ATOM 830 CA MET A 54 72.125 -2.991 17.138 1.00 0.00 C ATOM 831 C MET A 54 72.236 -4.260 16.295 1.00 0.00 C ATOM 832 O MET A 54 73.326 -4.799 16.104 1.00 0.00 O ATOM 833 CB MET A 54 71.356 -3.314 18.426 1.00 0.00 C ATOM 834 CG MET A 54 72.270 -4.075 19.389 1.00 0.00 C ATOM 835 SD MET A 54 73.441 -2.922 20.147 1.00 0.00 S ATOM 836 CE MET A 54 72.423 -2.470 21.573 1.00 0.00 C ATOM 0 H MET A 54 70.655 -1.511 16.903 1.00 0.00 H new ATOM 0 HA MET A 54 73.129 -2.641 17.378 1.00 0.00 H new ATOM 0 HB2 MET A 54 71.004 -2.394 18.892 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.474 -3.912 18.196 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.676 -4.566 20.160 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.808 -4.858 18.855 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.961 -1.752 22.191 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.490 -2.024 21.228 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.203 -3.362 22.160 1.00 0.00 H new ATOM 846 N LEU A 55 71.094 -4.744 15.819 1.00 0.00 N ATOM 847 CA LEU A 55 71.053 -5.969 15.021 1.00 0.00 C ATOM 848 C LEU A 55 71.305 -5.678 13.545 1.00 0.00 C ATOM 849 O LEU A 55 71.509 -6.598 12.753 1.00 0.00 O ATOM 850 CB LEU A 55 69.695 -6.667 15.205 1.00 0.00 C ATOM 851 CG LEU A 55 68.950 -6.061 16.401 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.171 -4.839 15.929 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.979 -7.084 17.013 1.00 0.00 C ATOM 0 H LEU A 55 70.184 -4.309 15.970 1.00 0.00 H new ATOM 0 HA LEU A 55 71.847 -6.630 15.369 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.096 -6.559 14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.844 -7.735 15.363 1.00 0.00 H new ATOM 0 HG LEU A 55 69.675 -5.776 17.164 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.637 -4.400 16.772 1.00 0.00 H new ATOM 0 HD12 LEU A 55 68.862 -4.105 15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.456 -5.137 15.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.461 -6.633 17.860 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.250 -7.388 16.262 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.536 -7.957 17.352 1.00 0.00 H new ATOM 865 N ASP A 56 71.302 -4.403 13.177 1.00 0.00 N ATOM 866 CA ASP A 56 71.547 -4.031 11.790 1.00 0.00 C ATOM 867 C ASP A 56 72.797 -4.733 11.308 1.00 0.00 C ATOM 868 O ASP A 56 72.788 -5.411 10.281 1.00 0.00 O ATOM 869 CB ASP A 56 71.710 -2.516 11.655 1.00 0.00 C ATOM 870 CG ASP A 56 72.123 -2.162 10.230 1.00 0.00 C ATOM 871 OD1 ASP A 56 71.338 -1.525 9.548 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.219 -2.532 9.843 1.00 0.00 O ATOM 0 H ASP A 56 71.135 -3.620 13.809 1.00 0.00 H new ATOM 0 HA ASP A 56 70.694 -4.333 11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.774 -2.017 11.906 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.461 -2.158 12.360 1.00 0.00 H new ATOM 877 N SER A 57 73.866 -4.592 12.074 1.00 0.00 N ATOM 878 CA SER A 57 75.109 -5.248 11.729 1.00 0.00 C ATOM 879 C SER A 57 74.869 -6.748 11.629 1.00 0.00 C ATOM 880 O SER A 57 75.651 -7.464 11.009 1.00 0.00 O ATOM 881 CB SER A 57 76.171 -4.963 12.792 1.00 0.00 C ATOM 882 OG SER A 57 76.231 -3.563 13.032 1.00 0.00 O ATOM 0 H SER A 57 73.896 -4.035 12.928 1.00 0.00 H new ATOM 0 HA SER A 57 75.464 -4.867 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.930 -5.492 13.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.142 -5.329 12.459 1.00 0.00 H new ATOM 0 HG SER A 57 76.910 -3.377 13.714 1.00 0.00 H new ATOM 888 N ALA A 58 73.766 -7.208 12.244 1.00 0.00 N ATOM 889 CA ALA A 58 73.404 -8.636 12.227 1.00 0.00 C ATOM 890 C ALA A 58 74.603 -9.499 11.821 1.00 0.00 C ATOM 891 O ALA A 58 75.327 -10.013 12.672 1.00 0.00 O ATOM 892 CB ALA A 58 72.234 -8.862 11.261 1.00 0.00 C ATOM 0 H ALA A 58 73.113 -6.616 12.756 1.00 0.00 H new ATOM 0 HA ALA A 58 73.102 -8.930 13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.969 -9.919 11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.375 -8.276 11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.525 -8.552 10.258 1.00 0.00 H new ATOM 898 N LYS A 59 74.826 -9.613 10.517 1.00 0.00 N ATOM 899 CA LYS A 59 75.960 -10.367 9.990 1.00 0.00 C ATOM 900 C LYS A 59 75.683 -11.866 9.880 1.00 0.00 C ATOM 901 O LYS A 59 76.499 -12.685 10.302 1.00 0.00 O ATOM 902 CB LYS A 59 77.193 -10.132 10.871 1.00 0.00 C ATOM 903 CG LYS A 59 78.470 -10.187 10.020 1.00 0.00 C ATOM 904 CD LYS A 59 79.589 -9.417 10.724 1.00 0.00 C ATOM 905 CE LYS A 59 80.153 -10.262 11.869 1.00 0.00 C ATOM 906 NZ LYS A 59 81.204 -9.489 12.588 1.00 0.00 N ATOM 0 H LYS A 59 74.234 -9.191 9.801 1.00 0.00 H new ATOM 0 HA LYS A 59 76.140 -10.003 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.117 -9.163 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.237 -10.887 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.770 -11.223 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.282 -9.757 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.380 -9.175 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.207 -8.472 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.355 -10.538 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.572 -11.189 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.587 -10.064 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.970 -9.247 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.790 -8.616 12.974 1.00 0.00 H new ATOM 920 N GLY A 60 74.554 -12.221 9.281 1.00 0.00 N ATOM 921 CA GLY A 60 74.218 -13.629 9.088 1.00 0.00 C ATOM 922 C GLY A 60 73.405 -14.182 10.243 1.00 0.00 C ATOM 923 O GLY A 60 72.782 -15.237 10.120 1.00 0.00 O ATOM 0 H GLY A 60 73.861 -11.563 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.656 -13.744 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.134 -14.209 8.979 1.00 0.00 H new ATOM 927 N ARG A 61 73.394 -13.472 11.361 1.00 0.00 N ATOM 928 CA ARG A 61 72.631 -13.925 12.502 1.00 0.00 C ATOM 929 C ARG A 61 71.198 -14.165 12.066 1.00 0.00 C ATOM 930 O ARG A 61 70.881 -14.060 10.882 1.00 0.00 O ATOM 931 CB ARG A 61 72.662 -12.873 13.611 1.00 0.00 C ATOM 932 CG ARG A 61 74.109 -12.607 14.029 1.00 0.00 C ATOM 933 CD ARG A 61 74.150 -11.448 15.030 1.00 0.00 C ATOM 934 NE ARG A 61 75.371 -11.509 15.824 1.00 0.00 N ATOM 935 CZ ARG A 61 75.791 -10.458 16.521 1.00 0.00 C ATOM 936 NH1 ARG A 61 76.890 -10.535 17.220 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.104 -9.348 16.505 1.00 0.00 N ATOM 0 H ARG A 61 73.897 -12.595 11.497 1.00 0.00 H new ATOM 0 HA ARG A 61 73.065 -14.848 12.887 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.198 -11.950 13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.083 -13.217 14.468 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.539 -13.503 14.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.713 -12.366 13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.101 -10.498 14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 61 73.280 -11.493 15.685 1.00 0.00 H new ATOM 0 HE ARG A 61 75.912 -12.373 15.845 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.427 -11.402 17.232 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.212 -9.728 17.755 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.245 -9.288 15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.426 -8.541 17.040 1.00 0.00 H new ATOM 951 N GLN A 62 70.331 -14.463 13.015 1.00 0.00 N ATOM 952 CA GLN A 62 68.934 -14.684 12.701 1.00 0.00 C ATOM 953 C GLN A 62 68.097 -13.809 13.607 1.00 0.00 C ATOM 954 O GLN A 62 68.357 -13.711 14.806 1.00 0.00 O ATOM 955 CB GLN A 62 68.566 -16.157 12.885 1.00 0.00 C ATOM 956 CG GLN A 62 68.920 -16.602 14.306 1.00 0.00 C ATOM 957 CD GLN A 62 69.661 -17.936 14.277 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.810 -18.019 14.710 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.066 -18.990 13.789 1.00 0.00 N ATOM 0 H GLN A 62 70.568 -14.557 14.003 1.00 0.00 H new ATOM 0 HA GLN A 62 68.745 -14.426 11.659 1.00 0.00 H new ATOM 0 HB2 GLN A 62 67.501 -16.302 12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.100 -16.769 12.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 69.539 -15.845 14.787 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.012 -16.696 14.901 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.114 -18.918 13.431 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.553 -19.886 13.766 1.00 0.00 H new ATOM 968 N ILE A 63 67.109 -13.154 13.030 1.00 0.00 N ATOM 969 CA ILE A 63 66.263 -12.271 13.787 1.00 0.00 C ATOM 970 C ILE A 63 64.948 -12.930 14.074 1.00 0.00 C ATOM 971 O ILE A 63 64.399 -13.657 13.253 1.00 0.00 O ATOM 972 CB ILE A 63 66.029 -10.994 13.005 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.370 -9.964 13.917 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.118 -11.276 11.810 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.439 -9.056 14.507 1.00 0.00 C ATOM 0 H ILE A 63 66.877 -13.221 12.039 1.00 0.00 H new ATOM 0 HA ILE A 63 66.755 -12.037 14.731 1.00 0.00 H new ATOM 0 HB ILE A 63 66.982 -10.610 12.642 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.646 -9.374 13.355 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.822 -10.466 14.715 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.954 -10.354 11.252 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.588 -12.014 11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.162 -11.661 12.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.971 -8.319 15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.146 -9.653 15.083 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.967 -8.545 13.702 1.00 0.00 H new ATOM 987 N GLU A 64 64.454 -12.640 15.248 1.00 0.00 N ATOM 988 CA GLU A 64 63.189 -13.167 15.692 1.00 0.00 C ATOM 989 C GLU A 64 62.185 -12.047 15.617 1.00 0.00 C ATOM 990 O GLU A 64 62.208 -11.177 16.466 1.00 0.00 O ATOM 991 CB GLU A 64 63.327 -13.668 17.144 1.00 0.00 C ATOM 992 CG GLU A 64 62.755 -15.089 17.294 1.00 0.00 C ATOM 993 CD GLU A 64 62.028 -15.226 18.629 1.00 0.00 C ATOM 994 OE1 GLU A 64 62.685 -15.526 19.612 1.00 0.00 O ATOM 995 OE2 GLU A 64 60.824 -15.027 18.649 1.00 0.00 O ATOM 0 H GLU A 64 64.916 -12.032 15.924 1.00 0.00 H new ATOM 0 HA GLU A 64 62.868 -14.003 15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.377 -13.662 17.436 1.00 0.00 H new ATOM 0 HB3 GLU A 64 62.805 -12.989 17.818 1.00 0.00 H new ATOM 0 HG2 GLU A 64 62.069 -15.301 16.474 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.560 -15.821 17.233 1.00 0.00 H new ATOM 1002 N VAL A 65 61.324 -12.046 14.604 1.00 0.00 N ATOM 1003 CA VAL A 65 60.344 -10.983 14.465 1.00 0.00 C ATOM 1004 C VAL A 65 59.172 -11.278 15.355 1.00 0.00 C ATOM 1005 O VAL A 65 58.729 -12.414 15.416 1.00 0.00 O ATOM 1006 CB VAL A 65 59.877 -10.904 13.012 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.006 -12.114 12.670 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.076 -9.622 12.817 1.00 0.00 C ATOM 0 H VAL A 65 61.287 -12.761 13.878 1.00 0.00 H new ATOM 0 HA VAL A 65 60.791 -10.031 14.750 1.00 0.00 H new ATOM 0 HB VAL A 65 60.745 -10.902 12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.680 -12.046 11.632 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.583 -13.028 12.810 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.134 -12.131 13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.739 -9.557 11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.211 -9.629 13.481 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.704 -8.762 13.048 1.00 0.00 H new ATOM 1018 N GLU A 66 58.670 -10.272 16.051 1.00 0.00 N ATOM 1019 CA GLU A 66 57.528 -10.503 16.911 1.00 0.00 C ATOM 1020 C GLU A 66 56.592 -9.300 16.930 1.00 0.00 C ATOM 1021 O GLU A 66 56.980 -8.227 17.383 1.00 0.00 O ATOM 1022 CB GLU A 66 57.964 -10.809 18.341 1.00 0.00 C ATOM 1023 CG GLU A 66 56.726 -10.803 19.245 1.00 0.00 C ATOM 1024 CD GLU A 66 57.022 -11.537 20.548 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.690 -12.709 20.633 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.575 -10.918 21.442 1.00 0.00 O ATOM 0 H GLU A 66 59.024 -9.315 16.039 1.00 0.00 H new ATOM 0 HA GLU A 66 56.999 -11.364 16.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.459 -11.779 18.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.685 -10.067 18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.427 -9.777 19.457 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.890 -11.279 18.733 1.00 0.00 H new ATOM 1033 N ALA A 67 55.351 -9.483 16.473 1.00 0.00 N ATOM 1034 CA ALA A 67 54.381 -8.389 16.489 1.00 0.00 C ATOM 1035 C ALA A 67 53.174 -8.790 17.323 1.00 0.00 C ATOM 1036 O ALA A 67 52.913 -9.979 17.501 1.00 0.00 O ATOM 1037 CB ALA A 67 53.970 -8.028 15.063 1.00 0.00 C ATOM 0 H ALA A 67 55.000 -10.362 16.094 1.00 0.00 H new ATOM 0 HA ALA A 67 54.835 -7.507 16.940 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.247 -7.212 15.088 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.849 -7.717 14.499 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.520 -8.897 14.583 1.00 0.00 H new ATOM 1043 N THR A 68 52.459 -7.807 17.875 1.00 0.00 N ATOM 1044 CA THR A 68 51.319 -8.125 18.720 1.00 0.00 C ATOM 1045 C THR A 68 50.246 -7.032 18.706 1.00 0.00 C ATOM 1046 O THR A 68 50.383 -6.003 19.367 1.00 0.00 O ATOM 1047 CB THR A 68 51.809 -8.314 20.153 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.735 -9.389 20.199 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.621 -8.617 21.059 1.00 0.00 C ATOM 0 H THR A 68 52.646 -6.812 17.754 1.00 0.00 H new ATOM 0 HA THR A 68 50.864 -9.034 18.328 1.00 0.00 H new ATOM 0 HB THR A 68 52.300 -7.403 20.495 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.954 -9.593 21.132 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.969 -8.752 22.083 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.915 -7.788 21.023 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.128 -9.528 20.720 1.00 0.00 H new ATOM 1057 N GLY A 69 49.165 -7.286 17.976 1.00 0.00 N ATOM 1058 CA GLY A 69 48.044 -6.349 17.902 1.00 0.00 C ATOM 1059 C GLY A 69 47.087 -6.724 16.773 1.00 0.00 C ATOM 1060 O GLY A 69 47.326 -7.663 16.024 1.00 0.00 O ATOM 0 H GLY A 69 49.039 -8.135 17.425 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.507 -6.344 18.851 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.421 -5.339 17.743 1.00 0.00 H new ATOM 1064 N PRO A 70 46.010 -6.012 16.642 1.00 0.00 N ATOM 1065 CA PRO A 70 44.996 -6.272 15.585 1.00 0.00 C ATOM 1066 C PRO A 70 45.596 -6.725 14.258 1.00 0.00 C ATOM 1067 O PRO A 70 45.162 -7.724 13.685 1.00 0.00 O ATOM 1068 CB PRO A 70 44.325 -4.917 15.444 1.00 0.00 C ATOM 1069 CG PRO A 70 44.316 -4.379 16.835 1.00 0.00 C ATOM 1070 CD PRO A 70 45.615 -4.871 17.487 1.00 0.00 C ATOM 0 HA PRO A 70 44.325 -7.088 15.853 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.877 -4.266 14.767 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.315 -5.010 15.044 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.269 -3.290 16.832 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.445 -4.734 17.385 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.379 -4.094 17.496 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.456 -5.174 18.522 1.00 0.00 H new ATOM 1078 N GLN A 71 46.571 -5.972 13.758 1.00 0.00 N ATOM 1079 CA GLN A 71 47.188 -6.310 12.465 1.00 0.00 C ATOM 1080 C GLN A 71 48.708 -6.503 12.567 1.00 0.00 C ATOM 1081 O GLN A 71 49.466 -5.995 11.743 1.00 0.00 O ATOM 1082 CB GLN A 71 46.866 -5.211 11.443 1.00 0.00 C ATOM 1083 CG GLN A 71 45.443 -5.399 10.906 1.00 0.00 C ATOM 1084 CD GLN A 71 44.429 -5.042 11.987 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.630 -5.886 12.393 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.413 -3.834 12.479 1.00 0.00 N ATOM 0 H GLN A 71 46.949 -5.140 14.211 1.00 0.00 H new ATOM 0 HA GLN A 71 46.769 -7.263 12.141 1.00 0.00 H new ATOM 0 HB2 GLN A 71 46.962 -4.230 11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.582 -5.245 10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.290 -4.770 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.299 -6.431 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.076 -3.137 12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.737 -3.587 13.202 1.00 0.00 H new ATOM 1095 N GLU A 72 49.139 -7.259 13.569 1.00 0.00 N ATOM 1096 CA GLU A 72 50.561 -7.543 13.769 1.00 0.00 C ATOM 1097 C GLU A 72 51.116 -8.399 12.654 1.00 0.00 C ATOM 1098 O GLU A 72 52.247 -8.208 12.214 1.00 0.00 O ATOM 1099 CB GLU A 72 50.741 -8.285 15.104 1.00 0.00 C ATOM 1100 CG GLU A 72 49.474 -9.082 15.406 1.00 0.00 C ATOM 1101 CD GLU A 72 49.761 -10.204 16.396 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.812 -10.758 16.925 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.922 -10.492 16.611 1.00 0.00 O ATOM 0 H GLU A 72 48.524 -7.689 14.260 1.00 0.00 H new ATOM 0 HA GLU A 72 51.101 -6.596 13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.601 -8.952 15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.938 -7.574 15.906 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.711 -8.419 15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.074 -9.500 14.482 1.00 0.00 H new ATOM 1110 N GLU A 73 50.324 -9.344 12.213 1.00 0.00 N ATOM 1111 CA GLU A 73 50.760 -10.234 11.161 1.00 0.00 C ATOM 1112 C GLU A 73 51.214 -9.439 9.959 1.00 0.00 C ATOM 1113 O GLU A 73 52.372 -9.509 9.569 1.00 0.00 O ATOM 1114 CB GLU A 73 49.627 -11.187 10.768 1.00 0.00 C ATOM 1115 CG GLU A 73 49.253 -12.071 11.970 1.00 0.00 C ATOM 1116 CD GLU A 73 49.187 -13.537 11.550 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.206 -14.184 11.880 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.118 -13.991 10.906 1.00 0.00 O ATOM 0 H GLU A 73 49.381 -9.518 12.561 1.00 0.00 H new ATOM 0 HA GLU A 73 51.600 -10.823 11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.758 -10.618 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.937 -11.810 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.989 -11.946 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.291 -11.758 12.375 1.00 0.00 H new ATOM 1125 N GLU A 74 50.309 -8.666 9.388 1.00 0.00 N ATOM 1126 CA GLU A 74 50.651 -7.857 8.233 1.00 0.00 C ATOM 1127 C GLU A 74 51.939 -7.077 8.500 1.00 0.00 C ATOM 1128 O GLU A 74 52.883 -7.101 7.713 1.00 0.00 O ATOM 1129 CB GLU A 74 49.504 -6.895 7.932 1.00 0.00 C ATOM 1130 CG GLU A 74 49.694 -6.331 6.534 1.00 0.00 C ATOM 1131 CD GLU A 74 49.401 -7.404 5.491 1.00 0.00 C ATOM 1132 OE1 GLU A 74 48.235 -7.685 5.270 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.348 -7.930 4.928 1.00 0.00 O ATOM 0 H GLU A 74 49.342 -8.581 9.701 1.00 0.00 H new ATOM 0 HA GLU A 74 50.812 -8.506 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 48.548 -7.413 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.485 -6.089 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.032 -5.478 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.715 -5.967 6.416 1.00 0.00 H new ATOM 1140 N ALA A 75 51.939 -6.388 9.626 1.00 0.00 N ATOM 1141 CA ALA A 75 53.074 -5.568 10.071 1.00 0.00 C ATOM 1142 C ALA A 75 54.355 -6.377 10.098 1.00 0.00 C ATOM 1143 O ALA A 75 55.326 -6.030 9.440 1.00 0.00 O ATOM 1144 CB ALA A 75 52.771 -5.001 11.487 1.00 0.00 C ATOM 0 H ALA A 75 51.149 -6.375 10.270 1.00 0.00 H new ATOM 0 HA ALA A 75 53.211 -4.748 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.610 -4.392 11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.870 -4.388 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.620 -5.825 12.184 1.00 0.00 H new ATOM 1150 N LEU A 76 54.336 -7.452 10.857 1.00 0.00 N ATOM 1151 CA LEU A 76 55.486 -8.332 10.988 1.00 0.00 C ATOM 1152 C LEU A 76 55.680 -9.118 9.699 1.00 0.00 C ATOM 1153 O LEU A 76 56.792 -9.512 9.352 1.00 0.00 O ATOM 1154 CB LEU A 76 55.189 -9.251 12.174 1.00 0.00 C ATOM 1155 CG LEU A 76 55.781 -10.654 12.001 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.739 -11.356 13.364 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.958 -11.467 10.982 1.00 0.00 C ATOM 0 H LEU A 76 53.525 -7.744 11.402 1.00 0.00 H new ATOM 0 HA LEU A 76 56.410 -7.780 11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.588 -8.803 13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.110 -9.331 12.305 1.00 0.00 H new ATOM 0 HG LEU A 76 56.804 -10.579 11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.155 -12.359 13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.325 -10.786 14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.707 -11.423 13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.393 -12.460 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.930 -11.558 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.967 -10.958 10.018 1.00 0.00 H new ATOM 1169 N ALA A 77 54.578 -9.327 9.002 1.00 0.00 N ATOM 1170 CA ALA A 77 54.588 -10.056 7.742 1.00 0.00 C ATOM 1171 C ALA A 77 55.048 -9.155 6.600 1.00 0.00 C ATOM 1172 O ALA A 77 55.500 -9.637 5.561 1.00 0.00 O ATOM 1173 CB ALA A 77 53.174 -10.549 7.444 1.00 0.00 C ATOM 0 H ALA A 77 53.656 -9.000 9.289 1.00 0.00 H new ATOM 0 HA ALA A 77 55.278 -10.896 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.171 -11.097 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.841 -11.207 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.499 -9.696 7.370 1.00 0.00 H new ATOM 1179 N ALA A 78 54.931 -7.846 6.799 1.00 0.00 N ATOM 1180 CA ALA A 78 55.338 -6.891 5.777 1.00 0.00 C ATOM 1181 C ALA A 78 56.848 -6.705 5.842 1.00 0.00 C ATOM 1182 O ALA A 78 57.530 -6.600 4.816 1.00 0.00 O ATOM 1183 CB ALA A 78 54.615 -5.552 5.988 1.00 0.00 C ATOM 0 H ALA A 78 54.561 -7.426 7.651 1.00 0.00 H new ATOM 0 HA ALA A 78 55.068 -7.269 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.926 -4.845 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.538 -5.706 5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.867 -5.153 6.971 1.00 0.00 H new ATOM 1189 N VAL A 79 57.369 -6.718 7.060 1.00 0.00 N ATOM 1190 CA VAL A 79 58.798 -6.596 7.262 1.00 0.00 C ATOM 1191 C VAL A 79 59.454 -7.833 6.689 1.00 0.00 C ATOM 1192 O VAL A 79 60.436 -7.759 5.958 1.00 0.00 O ATOM 1193 CB VAL A 79 59.113 -6.494 8.764 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.830 -6.253 9.541 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.742 -7.798 9.248 1.00 0.00 C ATOM 0 H VAL A 79 56.824 -6.811 7.917 1.00 0.00 H new ATOM 0 HA VAL A 79 59.172 -5.698 6.770 1.00 0.00 H new ATOM 0 HB VAL A 79 59.805 -5.667 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.057 -6.181 10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.370 -5.324 9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.141 -7.081 9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.964 -7.722 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.048 -8.621 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.664 -7.983 8.698 1.00 0.00 H new ATOM 1205 N ILE A 80 58.880 -8.973 7.048 1.00 0.00 N ATOM 1206 CA ILE A 80 59.370 -10.252 6.598 1.00 0.00 C ATOM 1207 C ILE A 80 59.586 -10.213 5.122 1.00 0.00 C ATOM 1208 O ILE A 80 60.692 -10.431 4.644 1.00 0.00 O ATOM 1209 CB ILE A 80 58.363 -11.316 6.992 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.554 -11.567 8.491 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.580 -12.597 6.174 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.320 -12.864 8.720 1.00 0.00 C ATOM 0 H ILE A 80 58.064 -9.029 7.658 1.00 0.00 H new ATOM 0 HA ILE A 80 60.327 -10.488 7.063 1.00 0.00 H new ATOM 0 HB ILE A 80 57.343 -10.990 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.095 -10.734 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.583 -11.619 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.848 -13.347 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.462 -12.376 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.585 -12.979 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.447 -13.027 9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.763 -13.696 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.299 -12.797 8.244 1.00 0.00 H new ATOM 1224 N ALA A 81 58.548 -9.884 4.396 1.00 0.00 N ATOM 1225 CA ALA A 81 58.701 -9.775 2.971 1.00 0.00 C ATOM 1226 C ALA A 81 59.954 -8.977 2.706 1.00 0.00 C ATOM 1227 O ALA A 81 60.606 -9.145 1.675 1.00 0.00 O ATOM 1228 CB ALA A 81 57.512 -9.067 2.352 1.00 0.00 C ATOM 0 H ALA A 81 57.613 -9.692 4.756 1.00 0.00 H new ATOM 0 HA ALA A 81 58.766 -10.770 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.651 -8.997 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.603 -9.629 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.426 -8.065 2.773 1.00 0.00 H new ATOM 1234 N LEU A 82 60.321 -8.133 3.675 1.00 0.00 N ATOM 1235 CA LEU A 82 61.538 -7.365 3.532 1.00 0.00 C ATOM 1236 C LEU A 82 62.677 -8.136 4.167 1.00 0.00 C ATOM 1237 O LEU A 82 63.756 -8.262 3.588 1.00 0.00 O ATOM 1238 CB LEU A 82 61.402 -5.981 4.168 1.00 0.00 C ATOM 1239 CG LEU A 82 62.245 -4.982 3.367 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.693 -5.482 3.291 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.669 -4.839 1.946 1.00 0.00 C ATOM 0 H LEU A 82 59.803 -7.974 4.539 1.00 0.00 H new ATOM 0 HA LEU A 82 61.741 -7.212 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.357 -5.671 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.735 -6.008 5.206 1.00 0.00 H new ATOM 0 HG LEU A 82 62.223 -4.011 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 82 64.293 -4.773 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 82 64.099 -5.575 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.717 -6.454 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 62.271 -4.128 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.686 -5.808 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.642 -4.479 2.004 1.00 0.00 H new ATOM 1253 N PHE A 83 62.425 -8.679 5.352 1.00 0.00 N ATOM 1254 CA PHE A 83 63.440 -9.457 6.020 1.00 0.00 C ATOM 1255 C PHE A 83 63.777 -10.641 5.140 1.00 0.00 C ATOM 1256 O PHE A 83 64.927 -11.071 5.049 1.00 0.00 O ATOM 1257 CB PHE A 83 62.975 -9.925 7.390 1.00 0.00 C ATOM 1258 CG PHE A 83 63.084 -8.810 8.404 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.236 -9.136 9.755 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.034 -7.460 8.011 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.336 -8.129 10.710 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.138 -6.454 8.974 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.287 -6.793 10.321 1.00 0.00 C ATOM 0 H PHE A 83 61.542 -8.593 5.856 1.00 0.00 H new ATOM 0 HA PHE A 83 64.323 -8.839 6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.942 -10.269 7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.576 -10.775 7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.276 -10.172 10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.916 -7.203 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.452 -8.384 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.103 -5.416 8.678 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.365 -6.014 11.065 1.00 0.00 H new ATOM 1273 N ASN A 84 62.752 -11.127 4.455 1.00 0.00 N ATOM 1274 CA ASN A 84 62.904 -12.223 3.527 1.00 0.00 C ATOM 1275 C ASN A 84 63.363 -11.645 2.215 1.00 0.00 C ATOM 1276 O ASN A 84 63.833 -12.341 1.314 1.00 0.00 O ATOM 1277 CB ASN A 84 61.558 -12.921 3.348 1.00 0.00 C ATOM 1278 CG ASN A 84 61.734 -14.437 3.328 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.665 -14.947 2.704 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.890 -15.190 3.978 1.00 0.00 N ATOM 0 H ASN A 84 61.799 -10.771 4.530 1.00 0.00 H new ATOM 0 HA ASN A 84 63.628 -12.951 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.886 -12.639 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.093 -12.592 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.000 -16.204 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.120 -14.765 4.494 1.00 0.00 H new ATOM 1287 N SER A 85 63.206 -10.344 2.148 1.00 0.00 N ATOM 1288 CA SER A 85 63.586 -9.579 0.966 1.00 0.00 C ATOM 1289 C SER A 85 63.151 -10.302 -0.305 1.00 0.00 C ATOM 1290 O SER A 85 62.058 -10.028 -0.774 1.00 0.00 O ATOM 1291 CB SER A 85 65.100 -9.371 0.943 1.00 0.00 C ATOM 1292 OG SER A 85 65.748 -10.636 0.953 1.00 0.00 O ATOM 1293 OXT SER A 85 63.916 -11.118 -0.790 1.00 0.00 O ATOM 0 H SER A 85 62.814 -9.781 2.903 1.00 0.00 H new ATOM 0 HA SER A 85 63.087 -8.611 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.388 -8.809 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.411 -8.783 1.807 1.00 0.00 H new ATOM 0 HG SER A 85 65.160 -11.308 0.548 1.00 0.00 H new