USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 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 Single : A 2 THR OG1 : rot -7:sc= 0.832 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.64 F(o=-4.5!,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00681 USER MOD Single : A 21 MET CE :methyl 145:sc= -0.292 (180deg=-1.57!) USER MOD Single : A 22 LYS NZ :NH3+ -110:sc= 0.804 (180deg=-0.594!) 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=-1.1!) USER MOD Single : A 38 ASN :FLIP amide:sc= -5! C(o=-12!,f=-5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.67) 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 -80:sc= 0.222 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 180:sc= -2.61 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.134 F(o=-1.3,f=-0.13) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 85 SER OG : rot 60:sc= 0.734 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.776 -13.263 19.389 1.00 0.00 N ATOM 21 CA THR A 2 51.179 -12.877 19.283 1.00 0.00 C ATOM 22 C THR A 2 51.839 -13.573 18.102 1.00 0.00 C ATOM 23 O THR A 2 51.464 -14.690 17.746 1.00 0.00 O ATOM 24 CB THR A 2 51.930 -13.274 20.561 1.00 0.00 C ATOM 25 OG1 THR A 2 51.004 -13.773 21.516 1.00 0.00 O ATOM 26 CG2 THR A 2 52.653 -12.057 21.136 1.00 0.00 C ATOM 0 HA THR A 2 51.221 -11.797 19.141 1.00 0.00 H new ATOM 0 HB THR A 2 52.662 -14.046 20.324 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.091 -13.651 21.181 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.184 -12.345 22.043 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.365 -11.677 20.403 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.926 -11.280 21.372 1.00 0.00 H new ATOM 34 N VAL A 3 52.854 -12.937 17.521 1.00 0.00 N ATOM 35 CA VAL A 3 53.572 -13.535 16.435 1.00 0.00 C ATOM 36 C VAL A 3 55.014 -13.175 16.550 1.00 0.00 C ATOM 37 O VAL A 3 55.370 -12.028 16.809 1.00 0.00 O ATOM 38 CB VAL A 3 53.069 -13.066 15.097 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.948 -13.980 14.651 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.570 -11.629 15.207 1.00 0.00 C ATOM 0 H VAL A 3 53.185 -12.012 17.794 1.00 0.00 H new ATOM 0 HA VAL A 3 53.426 -14.613 16.495 1.00 0.00 H new ATOM 0 HB VAL A 3 53.875 -13.095 14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.574 -13.651 13.682 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.322 -15.001 14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.140 -13.948 15.382 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.207 -11.295 14.235 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.759 -11.580 15.934 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.387 -10.984 15.531 1.00 0.00 H new ATOM 50 N LYS A 4 55.832 -14.160 16.347 1.00 0.00 N ATOM 51 CA LYS A 4 57.239 -13.973 16.413 1.00 0.00 C ATOM 52 C LYS A 4 57.923 -14.989 15.545 1.00 0.00 C ATOM 53 O LYS A 4 57.538 -16.158 15.508 1.00 0.00 O ATOM 54 CB LYS A 4 57.711 -14.104 17.839 1.00 0.00 C ATOM 55 CG LYS A 4 57.073 -15.343 18.478 1.00 0.00 C ATOM 56 CD LYS A 4 55.696 -14.990 19.090 1.00 0.00 C ATOM 57 CE LYS A 4 54.576 -15.788 18.404 1.00 0.00 C ATOM 58 NZ LYS A 4 54.486 -17.143 19.019 1.00 0.00 N ATOM 0 H LYS A 4 55.539 -15.113 16.132 1.00 0.00 H new ATOM 0 HA LYS A 4 57.486 -12.974 16.055 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.798 -14.186 17.867 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.444 -13.212 18.405 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.954 -16.126 17.729 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.730 -15.740 19.252 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.701 -15.206 20.158 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.507 -13.922 18.982 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.625 -15.265 18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.777 -15.874 17.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.728 -17.685 18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.391 -17.640 18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.275 -17.051 20.033 1.00 0.00 H new ATOM 72 N GLN A 5 58.913 -14.534 14.820 1.00 0.00 N ATOM 73 CA GLN A 5 59.613 -15.417 13.913 1.00 0.00 C ATOM 74 C GLN A 5 61.087 -15.069 13.804 1.00 0.00 C ATOM 75 O GLN A 5 61.497 -13.930 13.997 1.00 0.00 O ATOM 76 CB GLN A 5 58.965 -15.307 12.547 1.00 0.00 C ATOM 77 CG GLN A 5 57.447 -15.196 12.715 1.00 0.00 C ATOM 78 CD GLN A 5 56.766 -15.231 11.350 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.905 -14.219 10.537 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.090 -16.204 11.017 1.00 0.00 N flip ATOM 0 H GLN A 5 59.251 -13.572 14.836 1.00 0.00 H new ATOM 0 HA GLN A 5 59.547 -16.434 14.299 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.349 -14.434 12.019 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.213 -16.180 11.943 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.081 -16.015 13.334 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.197 -14.269 13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.983 -16.993 11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.636 -16.221 10.104 1.00 0.00 H new ATOM 89 N THR A 6 61.871 -16.072 13.488 1.00 0.00 N ATOM 90 CA THR A 6 63.292 -15.909 13.339 1.00 0.00 C ATOM 91 C THR A 6 63.661 -15.818 11.865 1.00 0.00 C ATOM 92 O THR A 6 63.633 -16.822 11.153 1.00 0.00 O ATOM 93 CB THR A 6 63.989 -17.106 13.976 1.00 0.00 C ATOM 94 OG1 THR A 6 63.240 -17.543 15.102 1.00 0.00 O ATOM 95 CG2 THR A 6 65.380 -16.698 14.419 1.00 0.00 C ATOM 0 H THR A 6 61.539 -17.023 13.328 1.00 0.00 H new ATOM 0 HA THR A 6 63.609 -14.989 13.829 1.00 0.00 H new ATOM 0 HB THR A 6 64.061 -17.917 13.252 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.685 -18.314 15.512 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.882 -17.552 14.875 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.952 -16.360 13.555 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.308 -15.889 15.146 1.00 0.00 H new ATOM 103 N VAL A 7 64.009 -14.617 11.402 1.00 0.00 N ATOM 104 CA VAL A 7 64.377 -14.451 9.996 1.00 0.00 C ATOM 105 C VAL A 7 65.897 -14.423 9.835 1.00 0.00 C ATOM 106 O VAL A 7 66.569 -13.528 10.345 1.00 0.00 O ATOM 107 CB VAL A 7 63.770 -13.151 9.426 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.371 -13.346 7.950 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.530 -12.760 10.239 1.00 0.00 C ATOM 0 H VAL A 7 64.044 -13.766 11.963 1.00 0.00 H new ATOM 0 HA VAL A 7 63.979 -15.301 9.442 1.00 0.00 H new ATOM 0 HB VAL A 7 64.517 -12.360 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.945 -12.420 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.253 -13.611 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.633 -14.145 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.104 -11.842 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.791 -13.559 10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.813 -12.601 11.280 1.00 0.00 H new ATOM 119 N GLU A 8 66.428 -15.400 9.104 1.00 0.00 N ATOM 120 CA GLU A 8 67.865 -15.461 8.863 1.00 0.00 C ATOM 121 C GLU A 8 68.237 -14.412 7.826 1.00 0.00 C ATOM 122 O GLU A 8 67.638 -14.364 6.752 1.00 0.00 O ATOM 123 CB GLU A 8 68.258 -16.850 8.356 1.00 0.00 C ATOM 124 CG GLU A 8 67.910 -17.898 9.414 1.00 0.00 C ATOM 125 CD GLU A 8 68.529 -19.241 9.041 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.287 -19.277 8.085 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.237 -20.214 9.717 1.00 0.00 O ATOM 0 H GLU A 8 65.891 -16.152 8.673 1.00 0.00 H new ATOM 0 HA GLU A 8 68.397 -15.267 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.735 -17.070 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.325 -16.880 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.276 -17.578 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.828 -17.998 9.497 1.00 0.00 H new ATOM 134 N ILE A 9 69.201 -13.552 8.146 1.00 0.00 N ATOM 135 CA ILE A 9 69.580 -12.506 7.204 1.00 0.00 C ATOM 136 C ILE A 9 70.783 -12.893 6.371 1.00 0.00 C ATOM 137 O ILE A 9 71.771 -13.423 6.879 1.00 0.00 O ATOM 138 CB ILE A 9 69.943 -11.195 7.922 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.212 -11.069 9.272 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.592 -10.011 7.019 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.376 -9.784 9.318 1.00 0.00 C ATOM 0 H ILE A 9 69.720 -13.557 9.024 1.00 0.00 H new ATOM 0 HA ILE A 9 68.707 -12.369 6.566 1.00 0.00 H new ATOM 0 HB ILE A 9 71.013 -11.199 8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.567 -11.934 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.938 -11.066 10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.848 -9.080 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.154 -10.085 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.524 -10.024 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.868 -9.715 10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.029 -8.921 9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.636 -9.802 8.518 1.00 0.00 H new ATOM 311 N ALA A 20 62.450 -1.344 7.797 1.00 0.00 N ATOM 312 CA ALA A 20 62.483 -1.482 9.243 1.00 0.00 C ATOM 313 C ALA A 20 61.712 -0.333 9.873 1.00 0.00 C ATOM 314 O ALA A 20 61.162 -0.460 10.966 1.00 0.00 O ATOM 315 CB ALA A 20 63.942 -1.478 9.714 1.00 0.00 C ATOM 0 HA ALA A 20 62.019 -2.421 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.974 -1.581 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.475 -2.310 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.415 -0.540 9.425 1.00 0.00 H new ATOM 321 N MET A 21 61.662 0.782 9.157 1.00 0.00 N ATOM 322 CA MET A 21 60.936 1.947 9.629 1.00 0.00 C ATOM 323 C MET A 21 59.458 1.790 9.310 1.00 0.00 C ATOM 324 O MET A 21 58.600 2.186 10.099 1.00 0.00 O ATOM 325 CB MET A 21 61.478 3.217 8.972 1.00 0.00 C ATOM 326 CG MET A 21 62.837 3.569 9.582 1.00 0.00 C ATOM 327 SD MET A 21 63.214 5.312 9.263 1.00 0.00 S ATOM 328 CE MET A 21 61.917 6.035 10.300 1.00 0.00 C ATOM 0 H MET A 21 62.115 0.902 8.251 1.00 0.00 H new ATOM 0 HA MET A 21 61.068 2.031 10.708 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.578 3.068 7.897 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.779 4.040 9.116 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.825 3.380 10.655 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.614 2.935 9.155 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.284 6.956 10.753 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.042 6.255 9.688 1.00 0.00 H new ATOM 0 HE3 MET A 21 61.643 5.330 11.084 1.00 0.00 H new ATOM 338 N LYS A 22 59.156 1.197 8.154 1.00 0.00 N ATOM 339 CA LYS A 22 57.763 0.993 7.778 1.00 0.00 C ATOM 340 C LYS A 22 57.009 0.418 8.971 1.00 0.00 C ATOM 341 O LYS A 22 55.958 0.922 9.343 1.00 0.00 O ATOM 342 CB LYS A 22 57.659 0.074 6.545 1.00 0.00 C ATOM 343 CG LYS A 22 57.393 -1.380 6.955 1.00 0.00 C ATOM 344 CD LYS A 22 57.579 -2.288 5.739 1.00 0.00 C ATOM 345 CE LYS A 22 56.991 -3.668 6.039 1.00 0.00 C ATOM 346 NZ LYS A 22 57.079 -4.521 4.820 1.00 0.00 N ATOM 0 H LYS A 22 59.841 0.858 7.479 1.00 0.00 H new ATOM 0 HA LYS A 22 57.313 1.947 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.857 0.423 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.583 0.129 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.075 -1.676 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.381 -1.480 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.088 -1.853 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.638 -2.377 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.532 -4.135 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.952 -3.572 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.125 -4.677 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.667 -4.046 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.506 -5.436 5.067 1.00 0.00 H new ATOM 360 N LEU A 23 57.596 -0.599 9.601 1.00 0.00 N ATOM 361 CA LEU A 23 57.029 -1.210 10.786 1.00 0.00 C ATOM 362 C LEU A 23 56.375 -0.134 11.625 1.00 0.00 C ATOM 363 O LEU A 23 55.276 -0.297 12.151 1.00 0.00 O ATOM 364 CB LEU A 23 58.182 -1.815 11.586 1.00 0.00 C ATOM 365 CG LEU A 23 58.366 -3.300 11.272 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.166 -3.487 9.969 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.130 -3.928 12.431 1.00 0.00 C ATOM 0 H LEU A 23 58.476 -1.016 9.299 1.00 0.00 H new ATOM 0 HA LEU A 23 56.294 -1.969 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.103 -1.278 11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.992 -1.689 12.652 1.00 0.00 H new ATOM 0 HG LEU A 23 57.393 -3.773 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.285 -4.551 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.632 -3.017 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.148 -3.026 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.278 -4.990 12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.099 -3.440 12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.561 -3.804 13.352 1.00 0.00 H new ATOM 379 N PHE A 24 57.101 0.960 11.748 1.00 0.00 N ATOM 380 CA PHE A 24 56.658 2.093 12.528 1.00 0.00 C ATOM 381 C PHE A 24 55.528 2.838 11.810 1.00 0.00 C ATOM 382 O PHE A 24 54.393 2.903 12.295 1.00 0.00 O ATOM 383 CB PHE A 24 57.845 3.032 12.733 1.00 0.00 C ATOM 384 CG PHE A 24 59.133 2.260 13.007 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.351 2.949 12.964 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.131 0.881 13.304 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.550 2.282 13.208 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.339 0.219 13.543 1.00 0.00 C ATOM 389 CZ PHE A 24 61.545 0.918 13.495 1.00 0.00 C ATOM 0 H PHE A 24 58.013 1.086 11.310 1.00 0.00 H new ATOM 0 HA PHE A 24 56.278 1.745 13.488 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.975 3.654 11.847 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.639 3.703 13.566 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.361 4.005 12.740 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.198 0.338 13.347 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.484 2.823 13.175 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.338 -0.838 13.766 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.476 0.402 13.680 1.00 0.00 H new ATOM 399 N GLU A 25 55.838 3.376 10.635 1.00 0.00 N ATOM 400 CA GLU A 25 54.834 4.092 9.854 1.00 0.00 C ATOM 401 C GLU A 25 53.682 3.157 9.549 1.00 0.00 C ATOM 402 O GLU A 25 52.542 3.581 9.367 1.00 0.00 O ATOM 403 CB GLU A 25 55.443 4.614 8.552 1.00 0.00 C ATOM 404 CG GLU A 25 56.495 5.679 8.869 1.00 0.00 C ATOM 405 CD GLU A 25 57.163 6.152 7.582 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.081 5.436 6.598 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.747 7.223 7.600 1.00 0.00 O ATOM 0 H GLU A 25 56.763 3.332 10.207 1.00 0.00 H new ATOM 0 HA GLU A 25 54.472 4.944 10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.897 3.794 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.664 5.036 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.028 6.523 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.244 5.272 9.548 1.00 0.00 H new ATOM 414 N LEU A 26 53.996 1.873 9.528 1.00 0.00 N ATOM 415 CA LEU A 26 53.002 0.853 9.286 1.00 0.00 C ATOM 416 C LEU A 26 52.285 0.568 10.593 1.00 0.00 C ATOM 417 O LEU A 26 51.115 0.196 10.605 1.00 0.00 O ATOM 418 CB LEU A 26 53.681 -0.396 8.711 1.00 0.00 C ATOM 419 CG LEU A 26 52.837 -1.637 8.959 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.939 -2.002 10.444 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.370 -1.382 8.537 1.00 0.00 C ATOM 0 H LEU A 26 54.939 1.515 9.677 1.00 0.00 H new ATOM 0 HA LEU A 26 52.265 1.184 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.840 -0.268 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.663 -0.523 9.166 1.00 0.00 H new ATOM 0 HG LEU A 26 53.204 -2.471 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.340 -2.891 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.980 -2.202 10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.570 -1.173 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.778 -2.279 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.963 -0.554 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.334 -1.134 7.476 1.00 0.00 H new ATOM 433 N MET A 27 52.985 0.784 11.702 1.00 0.00 N ATOM 434 CA MET A 27 52.373 0.585 13.006 1.00 0.00 C ATOM 435 C MET A 27 51.092 1.393 13.020 1.00 0.00 C ATOM 436 O MET A 27 50.097 1.014 13.636 1.00 0.00 O ATOM 437 CB MET A 27 53.322 1.022 14.139 1.00 0.00 C ATOM 438 CG MET A 27 52.992 2.441 14.623 1.00 0.00 C ATOM 439 SD MET A 27 51.563 2.384 15.734 1.00 0.00 S ATOM 440 CE MET A 27 51.381 4.169 15.962 1.00 0.00 C ATOM 0 H MET A 27 53.958 1.091 11.723 1.00 0.00 H new ATOM 0 HA MET A 27 52.162 -0.471 13.175 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.244 0.323 14.972 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.353 0.985 13.788 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.851 2.869 15.140 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.778 3.087 13.771 1.00 0.00 H new ATOM 0 HE1 MET A 27 50.540 4.367 16.627 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.293 4.575 16.400 1.00 0.00 H new ATOM 0 HE3 MET A 27 51.200 4.642 14.997 1.00 0.00 H new ATOM 450 N GLN A 28 51.123 2.502 12.283 1.00 0.00 N ATOM 451 CA GLN A 28 49.949 3.345 12.163 1.00 0.00 C ATOM 452 C GLN A 28 48.937 2.606 11.293 1.00 0.00 C ATOM 453 O GLN A 28 47.742 2.905 11.302 1.00 0.00 O ATOM 454 CB GLN A 28 50.338 4.699 11.544 1.00 0.00 C ATOM 455 CG GLN A 28 49.240 5.196 10.602 1.00 0.00 C ATOM 456 CD GLN A 28 49.490 6.654 10.233 1.00 0.00 C ATOM 457 OE1 GLN A 28 50.565 7.189 10.507 1.00 0.00 O ATOM 458 NE2 GLN A 28 48.557 7.332 9.624 1.00 0.00 N ATOM 0 H GLN A 28 51.940 2.830 11.768 1.00 0.00 H new ATOM 0 HA GLN A 28 49.511 3.549 13.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.506 5.431 12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.276 4.599 10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.217 4.583 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.266 5.095 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 28 47.668 6.886 9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 28 48.717 8.308 9.373 1.00 0.00 H new ATOM 467 N GLY A 29 49.441 1.610 10.563 1.00 0.00 N ATOM 468 CA GLY A 29 48.599 0.784 9.698 1.00 0.00 C ATOM 469 C GLY A 29 48.091 -0.425 10.474 1.00 0.00 C ATOM 470 O GLY A 29 46.888 -0.679 10.536 1.00 0.00 O ATOM 0 H GLY A 29 50.429 1.356 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.758 1.370 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.167 0.456 8.827 1.00 0.00 H new ATOM 474 N PHE A 30 49.020 -1.145 11.099 1.00 0.00 N ATOM 475 CA PHE A 30 48.666 -2.305 11.912 1.00 0.00 C ATOM 476 C PHE A 30 48.825 -1.942 13.380 1.00 0.00 C ATOM 477 O PHE A 30 49.758 -1.233 13.750 1.00 0.00 O ATOM 478 CB PHE A 30 49.577 -3.503 11.639 1.00 0.00 C ATOM 479 CG PHE A 30 49.632 -3.865 10.169 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.869 -4.132 9.600 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.474 -3.971 9.392 1.00 0.00 C ATOM 482 CE1 PHE A 30 50.982 -4.501 8.266 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.578 -4.338 8.041 1.00 0.00 C ATOM 484 CZ PHE A 30 49.838 -4.604 7.478 1.00 0.00 C ATOM 0 H PHE A 30 50.020 -0.946 11.058 1.00 0.00 H new ATOM 0 HA PHE A 30 47.641 -2.577 11.662 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.583 -3.279 11.993 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.223 -4.362 12.209 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.760 -4.051 10.205 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.506 -3.772 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.953 -4.707 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.689 -4.416 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.919 -4.887 6.439 1.00 0.00 H new ATOM 494 N ASP A 31 47.948 -2.465 14.222 1.00 0.00 N ATOM 495 CA ASP A 31 48.049 -2.219 15.642 1.00 0.00 C ATOM 496 C ASP A 31 48.759 -3.407 16.232 1.00 0.00 C ATOM 497 O ASP A 31 48.184 -4.487 16.347 1.00 0.00 O ATOM 498 CB ASP A 31 46.665 -2.056 16.264 1.00 0.00 C ATOM 499 CG ASP A 31 46.792 -1.746 17.752 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.815 -2.088 18.322 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.865 -1.172 18.299 1.00 0.00 O ATOM 0 H ASP A 31 47.166 -3.058 13.945 1.00 0.00 H new ATOM 0 HA ASP A 31 48.595 -1.297 15.840 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.125 -1.253 15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.085 -2.968 16.123 1.00 0.00 H new ATOM 506 N ALA A 32 50.028 -3.233 16.547 1.00 0.00 N ATOM 507 CA ALA A 32 50.788 -4.324 17.051 1.00 0.00 C ATOM 508 C ALA A 32 52.142 -3.848 17.502 1.00 0.00 C ATOM 509 O ALA A 32 52.674 -2.855 17.004 1.00 0.00 O ATOM 510 CB ALA A 32 50.936 -5.363 15.957 1.00 0.00 C ATOM 0 H ALA A 32 50.535 -2.353 16.459 1.00 0.00 H new ATOM 0 HA ALA A 32 50.277 -4.764 17.908 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.518 -6.205 16.332 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.950 -5.711 15.650 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.447 -4.921 15.102 1.00 0.00 H new ATOM 516 N GLU A 33 52.683 -4.560 18.454 1.00 0.00 N ATOM 517 CA GLU A 33 53.965 -4.235 19.003 1.00 0.00 C ATOM 518 C GLU A 33 55.001 -5.177 18.448 1.00 0.00 C ATOM 519 O GLU A 33 55.260 -6.249 18.990 1.00 0.00 O ATOM 520 CB GLU A 33 53.858 -4.356 20.497 1.00 0.00 C ATOM 521 CG GLU A 33 54.494 -3.137 21.148 1.00 0.00 C ATOM 522 CD GLU A 33 54.637 -3.355 22.650 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.048 -2.427 23.327 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.333 -4.447 23.102 1.00 0.00 O ATOM 0 H GLU A 33 52.244 -5.382 18.869 1.00 0.00 H new ATOM 0 HA GLU A 33 54.268 -3.222 18.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.812 -4.436 20.793 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.356 -5.265 20.836 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.472 -2.949 20.706 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.883 -2.254 20.958 1.00 0.00 H new ATOM 531 N VAL A 34 55.565 -4.755 17.347 1.00 0.00 N ATOM 532 CA VAL A 34 56.565 -5.543 16.654 1.00 0.00 C ATOM 533 C VAL A 34 57.911 -5.411 17.341 1.00 0.00 C ATOM 534 O VAL A 34 58.400 -4.302 17.550 1.00 0.00 O ATOM 535 CB VAL A 34 56.719 -5.075 15.204 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.545 -6.110 14.440 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.352 -4.902 14.528 1.00 0.00 C ATOM 0 H VAL A 34 55.350 -3.862 16.903 1.00 0.00 H new ATOM 0 HA VAL A 34 56.234 -6.582 16.672 1.00 0.00 H new ATOM 0 HB VAL A 34 57.221 -4.107 15.197 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.663 -5.789 13.405 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.527 -6.206 14.904 1.00 0.00 H new ATOM 0 HG13 VAL A 34 57.035 -7.073 14.466 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.494 -4.569 13.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.821 -5.854 14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.768 -4.160 15.072 1.00 0.00 H new ATOM 547 N LEU A 35 58.512 -6.541 17.694 1.00 0.00 N ATOM 548 CA LEU A 35 59.804 -6.512 18.356 1.00 0.00 C ATOM 549 C LEU A 35 60.862 -7.235 17.513 1.00 0.00 C ATOM 550 O LEU A 35 60.657 -8.368 17.077 1.00 0.00 O ATOM 551 CB LEU A 35 59.679 -7.154 19.746 1.00 0.00 C ATOM 552 CG LEU A 35 60.887 -8.050 20.051 1.00 0.00 C ATOM 553 CD1 LEU A 35 62.174 -7.211 20.067 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.680 -8.709 21.415 1.00 0.00 C ATOM 0 H LEU A 35 58.130 -7.473 17.535 1.00 0.00 H new ATOM 0 HA LEU A 35 60.124 -5.477 18.471 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.600 -6.375 20.504 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.763 -7.743 19.797 1.00 0.00 H new ATOM 0 HG LEU A 35 60.980 -8.815 19.280 1.00 0.00 H new ATOM 0 HD11 LEU A 35 63.026 -7.855 20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.314 -6.741 19.094 1.00 0.00 H new ATOM 0 HD13 LEU A 35 62.097 -6.441 20.834 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.533 -9.349 21.643 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.589 -7.939 22.181 1.00 0.00 H new ATOM 0 HD23 LEU A 35 59.771 -9.310 21.395 1.00 0.00 H new ATOM 566 N LEU A 36 61.987 -6.561 17.281 1.00 0.00 N ATOM 567 CA LEU A 36 63.078 -7.122 16.483 1.00 0.00 C ATOM 568 C LEU A 36 64.299 -7.443 17.341 1.00 0.00 C ATOM 569 O LEU A 36 64.801 -6.580 18.049 1.00 0.00 O ATOM 570 CB LEU A 36 63.494 -6.094 15.441 1.00 0.00 C ATOM 571 CG LEU A 36 62.615 -6.217 14.198 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.142 -6.279 14.607 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.832 -4.993 13.318 1.00 0.00 C ATOM 0 H LEU A 36 62.168 -5.622 17.636 1.00 0.00 H new ATOM 0 HA LEU A 36 62.722 -8.044 16.024 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.410 -5.090 15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.540 -6.241 15.172 1.00 0.00 H new ATOM 0 HG LEU A 36 62.879 -7.125 13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.520 -6.367 13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.979 -7.144 15.250 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.876 -5.370 15.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.209 -5.070 12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.563 -4.094 13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.880 -4.937 13.024 1.00 0.00 H new ATOM 585 N ARG A 37 64.792 -8.677 17.256 1.00 0.00 N ATOM 586 CA ARG A 37 65.963 -9.069 18.005 1.00 0.00 C ATOM 587 C ARG A 37 66.773 -10.091 17.242 1.00 0.00 C ATOM 588 O ARG A 37 66.262 -10.776 16.366 1.00 0.00 O ATOM 589 CB ARG A 37 65.565 -9.678 19.336 1.00 0.00 C ATOM 590 CG ARG A 37 64.690 -10.897 19.100 1.00 0.00 C ATOM 591 CD ARG A 37 64.226 -11.492 20.439 1.00 0.00 C ATOM 592 NE ARG A 37 64.190 -10.472 21.481 1.00 0.00 N ATOM 593 CZ ARG A 37 63.507 -10.664 22.605 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.496 -9.742 23.528 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.845 -11.775 22.784 1.00 0.00 N ATOM 0 H ARG A 37 64.393 -9.414 16.675 1.00 0.00 H new ATOM 0 HA ARG A 37 66.560 -8.172 18.168 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.455 -9.961 19.898 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.028 -8.944 19.937 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.824 -10.620 18.499 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.244 -11.646 18.535 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.236 -11.932 20.322 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.899 -12.296 20.736 1.00 0.00 H new ATOM 0 HE ARG A 37 64.697 -9.597 21.345 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.012 -8.873 23.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 62.972 -9.890 24.390 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.852 -12.495 22.062 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.321 -11.923 23.646 1.00 0.00 H new ATOM 609 N ASN A 38 68.027 -10.217 17.620 1.00 0.00 N ATOM 610 CA ASN A 38 68.903 -11.195 16.997 1.00 0.00 C ATOM 611 C ASN A 38 69.028 -12.402 17.896 1.00 0.00 C ATOM 612 O ASN A 38 69.231 -12.253 19.109 1.00 0.00 O ATOM 613 CB ASN A 38 70.310 -10.659 16.816 1.00 0.00 C ATOM 614 CG ASN A 38 70.370 -9.517 15.833 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.147 -8.517 16.112 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.713 -9.536 14.794 1.00 0.00 N flip ATOM 0 H ASN A 38 68.465 -9.658 18.353 1.00 0.00 H new ATOM 0 HA ASN A 38 68.466 -11.438 16.028 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.695 -10.326 17.780 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.961 -11.464 16.474 1.00 0.00 H new ATOM 0 HD21 ASN A 38 69.106 -10.330 14.589 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.775 -8.758 14.137 1.00 0.00 H new ATOM 623 N ASP A 39 68.969 -13.587 17.307 1.00 0.00 N ATOM 624 CA ASP A 39 69.130 -14.799 18.099 1.00 0.00 C ATOM 625 C ASP A 39 70.465 -14.729 18.822 1.00 0.00 C ATOM 626 O ASP A 39 70.797 -15.584 19.643 1.00 0.00 O ATOM 627 CB ASP A 39 69.079 -16.044 17.216 1.00 0.00 C ATOM 628 CG ASP A 39 69.314 -17.291 18.062 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.346 -17.819 18.584 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.458 -17.698 18.176 1.00 0.00 O ATOM 0 H ASP A 39 68.815 -13.736 16.310 1.00 0.00 H new ATOM 0 HA ASP A 39 68.313 -14.869 18.817 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.111 -16.108 16.719 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.835 -15.977 16.434 1.00 0.00 H new ATOM 635 N GLU A 40 71.218 -13.677 18.510 1.00 0.00 N ATOM 636 CA GLU A 40 72.514 -13.450 19.124 1.00 0.00 C ATOM 637 C GLU A 40 72.323 -12.962 20.548 1.00 0.00 C ATOM 638 O GLU A 40 73.230 -13.048 21.377 1.00 0.00 O ATOM 639 CB GLU A 40 73.263 -12.364 18.346 1.00 0.00 C ATOM 640 CG GLU A 40 73.882 -12.936 17.069 1.00 0.00 C ATOM 641 CD GLU A 40 74.788 -14.119 17.395 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.709 -15.113 16.691 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.548 -14.014 18.344 1.00 0.00 O ATOM 0 H GLU A 40 70.946 -12.967 17.830 1.00 0.00 H new ATOM 0 HA GLU A 40 73.079 -14.382 19.116 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.578 -11.555 18.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.044 -11.935 18.973 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.093 -13.252 16.386 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.455 -12.162 16.558 1.00 0.00 H new ATOM 650 N GLY A 41 71.141 -12.423 20.813 1.00 0.00 N ATOM 651 CA GLY A 41 70.830 -11.889 22.126 1.00 0.00 C ATOM 652 C GLY A 41 70.574 -10.396 22.013 1.00 0.00 C ATOM 653 O GLY A 41 70.304 -9.723 23.008 1.00 0.00 O ATOM 0 H GLY A 41 70.384 -12.345 20.134 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.953 -12.390 22.537 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.655 -12.077 22.813 1.00 0.00 H new ATOM 657 N THR A 42 70.645 -9.884 20.783 1.00 0.00 N ATOM 658 CA THR A 42 70.396 -8.459 20.557 1.00 0.00 C ATOM 659 C THR A 42 68.895 -8.241 20.445 1.00 0.00 C ATOM 660 O THR A 42 68.200 -9.039 19.825 1.00 0.00 O ATOM 661 CB THR A 42 71.130 -7.966 19.294 1.00 0.00 C ATOM 662 OG1 THR A 42 72.241 -7.172 19.686 1.00 0.00 O ATOM 663 CG2 THR A 42 70.203 -7.125 18.411 1.00 0.00 C ATOM 0 H THR A 42 70.868 -10.421 19.945 1.00 0.00 H new ATOM 0 HA THR A 42 70.783 -7.880 21.395 1.00 0.00 H new ATOM 0 HB THR A 42 71.460 -8.834 18.723 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.715 -6.856 18.888 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.747 -6.791 17.528 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.348 -7.727 18.104 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.854 -6.258 18.972 1.00 0.00 H new ATOM 671 N GLU A 43 68.395 -7.177 21.066 1.00 0.00 N ATOM 672 CA GLU A 43 66.958 -6.902 21.046 1.00 0.00 C ATOM 673 C GLU A 43 66.654 -5.494 20.556 1.00 0.00 C ATOM 674 O GLU A 43 67.256 -4.521 21.009 1.00 0.00 O ATOM 675 CB GLU A 43 66.364 -7.101 22.451 1.00 0.00 C ATOM 676 CG GLU A 43 67.485 -7.105 23.494 1.00 0.00 C ATOM 677 CD GLU A 43 68.307 -5.826 23.386 1.00 0.00 C ATOM 678 OE1 GLU A 43 69.523 -5.924 23.387 1.00 0.00 O ATOM 679 OE2 GLU A 43 67.708 -4.766 23.306 1.00 0.00 O ATOM 0 H GLU A 43 68.953 -6.498 21.583 1.00 0.00 H new ATOM 0 HA GLU A 43 66.501 -7.604 20.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.653 -6.304 22.671 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.813 -8.041 22.493 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.061 -7.190 24.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 68.127 -7.973 23.345 1.00 0.00 H new ATOM 686 N ALA A 44 65.706 -5.398 19.624 1.00 0.00 N ATOM 687 CA ALA A 44 65.318 -4.113 19.073 1.00 0.00 C ATOM 688 C ALA A 44 63.804 -3.969 18.992 1.00 0.00 C ATOM 689 O ALA A 44 63.135 -4.732 18.296 1.00 0.00 O ATOM 690 CB ALA A 44 65.888 -3.966 17.665 1.00 0.00 C ATOM 0 H ALA A 44 65.198 -6.195 19.240 1.00 0.00 H new ATOM 0 HA ALA A 44 65.710 -3.341 19.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.595 -3.000 17.253 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.975 -4.029 17.704 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.501 -4.763 17.031 1.00 0.00 H new ATOM 696 N GLU A 45 63.277 -2.959 19.667 1.00 0.00 N ATOM 697 CA GLU A 45 61.849 -2.693 19.620 1.00 0.00 C ATOM 698 C GLU A 45 61.537 -1.944 18.337 1.00 0.00 C ATOM 699 O GLU A 45 61.957 -0.801 18.167 1.00 0.00 O ATOM 700 CB GLU A 45 61.429 -1.834 20.817 1.00 0.00 C ATOM 701 CG GLU A 45 60.440 -2.601 21.696 1.00 0.00 C ATOM 702 CD GLU A 45 61.148 -3.758 22.393 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.404 -4.753 21.734 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.425 -3.632 23.574 1.00 0.00 O ATOM 0 H GLU A 45 63.812 -2.315 20.249 1.00 0.00 H new ATOM 0 HA GLU A 45 61.304 -3.637 19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.307 -1.557 21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.973 -0.908 20.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.005 -1.931 22.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.619 -2.980 21.088 1.00 0.00 H new ATOM 711 N ALA A 46 60.813 -2.584 17.433 1.00 0.00 N ATOM 712 CA ALA A 46 60.470 -1.951 16.170 1.00 0.00 C ATOM 713 C ALA A 46 60.380 -0.431 16.315 1.00 0.00 C ATOM 714 O ALA A 46 61.215 0.297 15.791 1.00 0.00 O ATOM 715 CB ALA A 46 59.136 -2.503 15.678 1.00 0.00 C ATOM 0 H ALA A 46 60.454 -3.532 17.548 1.00 0.00 H new ATOM 0 HA ALA A 46 61.256 -2.172 15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.874 -2.031 14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.218 -3.581 15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.361 -2.292 16.415 1.00 0.00 H new ATOM 721 N ASN A 47 59.356 0.031 17.019 1.00 0.00 N ATOM 722 CA ASN A 47 59.130 1.466 17.217 1.00 0.00 C ATOM 723 C ASN A 47 60.393 2.251 17.616 1.00 0.00 C ATOM 724 O ASN A 47 60.279 3.367 18.124 1.00 0.00 O ATOM 725 CB ASN A 47 58.052 1.665 18.285 1.00 0.00 C ATOM 726 CG ASN A 47 58.633 1.406 19.672 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.849 0.255 20.050 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.900 2.415 20.456 1.00 0.00 N ATOM 0 H ASN A 47 58.662 -0.567 17.467 1.00 0.00 H new ATOM 0 HA ASN A 47 58.813 1.864 16.253 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.659 2.680 18.231 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.217 0.989 18.100 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.289 2.250 21.385 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.720 3.368 20.140 1.00 0.00 H new ATOM 735 N SER A 48 61.587 1.702 17.381 1.00 0.00 N ATOM 736 CA SER A 48 62.816 2.413 17.722 1.00 0.00 C ATOM 737 C SER A 48 63.849 2.252 16.608 1.00 0.00 C ATOM 738 O SER A 48 64.057 1.151 16.102 1.00 0.00 O ATOM 739 CB SER A 48 63.386 1.874 19.033 1.00 0.00 C ATOM 740 OG SER A 48 62.896 2.655 20.115 1.00 0.00 O ATOM 0 H SER A 48 61.726 0.782 16.963 1.00 0.00 H new ATOM 0 HA SER A 48 62.584 3.471 17.839 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.101 0.830 19.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.475 1.907 19.010 1.00 0.00 H new ATOM 0 HG SER A 48 63.259 2.310 20.958 1.00 0.00 H new ATOM 746 N VAL A 49 64.497 3.354 16.233 1.00 0.00 N ATOM 747 CA VAL A 49 65.509 3.306 15.181 1.00 0.00 C ATOM 748 C VAL A 49 66.821 2.789 15.741 1.00 0.00 C ATOM 749 O VAL A 49 67.529 2.026 15.084 1.00 0.00 O ATOM 750 CB VAL A 49 65.715 4.694 14.573 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.296 4.559 13.162 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.368 5.419 14.502 1.00 0.00 C ATOM 0 H VAL A 49 64.342 4.278 16.636 1.00 0.00 H new ATOM 0 HA VAL A 49 65.163 2.629 14.400 1.00 0.00 H new ATOM 0 HB VAL A 49 66.407 5.263 15.194 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.441 5.550 12.732 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.254 4.041 13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.607 3.990 12.538 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.510 6.409 14.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.679 4.847 13.881 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.955 5.518 15.506 1.00 0.00 H new ATOM 762 N ILE A 50 67.124 3.173 16.974 1.00 0.00 N ATOM 763 CA ILE A 50 68.318 2.710 17.621 1.00 0.00 C ATOM 764 C ILE A 50 68.297 1.198 17.558 1.00 0.00 C ATOM 765 O ILE A 50 69.317 0.538 17.360 1.00 0.00 O ATOM 766 CB ILE A 50 68.282 3.222 19.062 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.560 4.004 19.375 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.113 2.072 20.044 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.796 3.129 19.128 1.00 0.00 C ATOM 0 H ILE A 50 66.552 3.804 17.536 1.00 0.00 H new ATOM 0 HA ILE A 50 69.232 3.069 17.148 1.00 0.00 H new ATOM 0 HB ILE A 50 67.425 3.887 19.168 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.609 4.898 18.753 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.545 4.338 20.412 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.090 2.463 21.061 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.180 1.549 19.835 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.948 1.379 19.940 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.697 3.699 19.355 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.753 2.249 19.769 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.818 2.817 18.084 1.00 0.00 H new ATOM 781 N ALA A 51 67.089 0.678 17.701 1.00 0.00 N ATOM 782 CA ALA A 51 66.855 -0.741 17.636 1.00 0.00 C ATOM 783 C ALA A 51 67.373 -1.270 16.308 1.00 0.00 C ATOM 784 O ALA A 51 68.255 -2.124 16.266 1.00 0.00 O ATOM 785 CB ALA A 51 65.345 -0.998 17.752 1.00 0.00 C ATOM 0 H ALA A 51 66.249 1.233 17.865 1.00 0.00 H new ATOM 0 HA ALA A 51 67.373 -1.249 18.449 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.154 -2.070 17.704 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.981 -0.607 18.702 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.827 -0.500 16.932 1.00 0.00 H new ATOM 791 N LEU A 52 66.820 -0.737 15.227 1.00 0.00 N ATOM 792 CA LEU A 52 67.219 -1.136 13.891 1.00 0.00 C ATOM 793 C LEU A 52 68.735 -1.068 13.747 1.00 0.00 C ATOM 794 O LEU A 52 69.371 -2.025 13.303 1.00 0.00 O ATOM 795 CB LEU A 52 66.561 -0.210 12.859 1.00 0.00 C ATOM 796 CG LEU A 52 65.062 -0.020 13.157 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.495 1.055 12.219 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.293 -1.337 12.941 1.00 0.00 C ATOM 0 H LEU A 52 66.091 -0.024 15.253 1.00 0.00 H new ATOM 0 HA LEU A 52 66.896 -2.163 13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.061 0.758 12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.686 -0.628 11.860 1.00 0.00 H new ATOM 0 HG LEU A 52 64.947 0.286 14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.434 1.194 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.023 1.995 12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.625 0.740 11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.236 -1.181 13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.408 -1.660 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.690 -2.103 13.607 1.00 0.00 H new ATOM 810 N LEU A 53 69.307 0.067 14.126 1.00 0.00 N ATOM 811 CA LEU A 53 70.751 0.248 14.035 1.00 0.00 C ATOM 812 C LEU A 53 71.481 -0.871 14.778 1.00 0.00 C ATOM 813 O LEU A 53 72.406 -1.486 14.249 1.00 0.00 O ATOM 814 CB LEU A 53 71.133 1.608 14.636 1.00 0.00 C ATOM 815 CG LEU A 53 72.397 2.150 13.960 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.811 3.460 14.636 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.532 1.129 14.089 1.00 0.00 C ATOM 0 H LEU A 53 68.799 0.870 14.496 1.00 0.00 H new ATOM 0 HA LEU A 53 71.046 0.215 12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.312 2.314 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.301 1.506 15.708 1.00 0.00 H new ATOM 0 HG LEU A 53 72.193 2.330 12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.710 3.848 14.157 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.006 4.189 14.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.012 3.277 15.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.429 1.519 13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.738 0.945 15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.238 0.196 13.609 1.00 0.00 H new ATOM 829 N MET A 54 71.065 -1.118 16.014 1.00 0.00 N ATOM 830 CA MET A 54 71.689 -2.149 16.839 1.00 0.00 C ATOM 831 C MET A 54 71.814 -3.485 16.101 1.00 0.00 C ATOM 832 O MET A 54 72.787 -4.213 16.297 1.00 0.00 O ATOM 833 CB MET A 54 70.872 -2.351 18.118 1.00 0.00 C ATOM 834 CG MET A 54 71.718 -3.088 19.158 1.00 0.00 C ATOM 835 SD MET A 54 72.913 -1.938 19.887 1.00 0.00 S ATOM 836 CE MET A 54 72.533 -2.269 21.626 1.00 0.00 C ATOM 0 H MET A 54 70.299 -0.620 16.468 1.00 0.00 H new ATOM 0 HA MET A 54 72.695 -1.807 17.081 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.552 -1.387 18.513 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.970 -2.921 17.898 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.077 -3.505 19.935 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.239 -3.924 18.692 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.169 -1.653 22.261 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.487 -2.033 21.821 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.714 -3.322 21.844 1.00 0.00 H new ATOM 846 N LEU A 55 70.827 -3.820 15.269 1.00 0.00 N ATOM 847 CA LEU A 55 70.865 -5.095 14.542 1.00 0.00 C ATOM 848 C LEU A 55 71.639 -4.961 13.236 1.00 0.00 C ATOM 849 O LEU A 55 71.951 -5.958 12.588 1.00 0.00 O ATOM 850 CB LEU A 55 69.446 -5.623 14.277 1.00 0.00 C ATOM 851 CG LEU A 55 68.431 -4.862 15.133 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.020 -5.388 14.848 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.763 -5.061 16.620 1.00 0.00 C ATOM 0 H LEU A 55 70.007 -3.243 15.082 1.00 0.00 H new ATOM 0 HA LEU A 55 71.385 -5.817 15.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.199 -5.510 13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.398 -6.688 14.504 1.00 0.00 H new ATOM 0 HG LEU A 55 68.476 -3.800 14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.299 -4.845 15.459 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.784 -5.244 13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.972 -6.450 15.089 1.00 0.00 H new ATOM 0 HD21 LEU A 55 68.040 -4.519 17.230 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.720 -6.123 16.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.765 -4.683 16.823 1.00 0.00 H new ATOM 865 N ASP A 56 71.961 -3.732 12.862 1.00 0.00 N ATOM 866 CA ASP A 56 72.720 -3.494 11.644 1.00 0.00 C ATOM 867 C ASP A 56 73.919 -4.422 11.636 1.00 0.00 C ATOM 868 O ASP A 56 74.262 -5.014 10.613 1.00 0.00 O ATOM 869 CB ASP A 56 73.191 -2.039 11.585 1.00 0.00 C ATOM 870 CG ASP A 56 73.982 -1.798 10.304 1.00 0.00 C ATOM 871 OD1 ASP A 56 74.251 -0.646 10.005 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.309 -2.768 9.640 1.00 0.00 O ATOM 0 H ASP A 56 71.711 -2.890 13.380 1.00 0.00 H new ATOM 0 HA ASP A 56 72.089 -3.685 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.333 -1.368 11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.811 -1.813 12.453 1.00 0.00 H new ATOM 877 N SER A 57 74.533 -4.564 12.805 1.00 0.00 N ATOM 878 CA SER A 57 75.673 -5.447 12.946 1.00 0.00 C ATOM 879 C SER A 57 75.261 -6.851 12.538 1.00 0.00 C ATOM 880 O SER A 57 76.098 -7.745 12.414 1.00 0.00 O ATOM 881 CB SER A 57 76.163 -5.451 14.395 1.00 0.00 C ATOM 882 OG SER A 57 75.117 -5.907 15.243 1.00 0.00 O ATOM 0 H SER A 57 74.259 -4.081 13.660 1.00 0.00 H new ATOM 0 HA SER A 57 76.484 -5.098 12.307 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.035 -6.097 14.494 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.474 -4.448 14.689 1.00 0.00 H new ATOM 0 HG SER A 57 74.494 -5.171 15.419 1.00 0.00 H new ATOM 888 N ALA A 58 73.953 -7.030 12.323 1.00 0.00 N ATOM 889 CA ALA A 58 73.418 -8.334 11.912 1.00 0.00 C ATOM 890 C ALA A 58 74.461 -9.092 11.087 1.00 0.00 C ATOM 891 O ALA A 58 75.149 -9.979 11.586 1.00 0.00 O ATOM 892 CB ALA A 58 72.146 -8.134 11.084 1.00 0.00 C ATOM 0 H ALA A 58 73.251 -6.297 12.425 1.00 0.00 H new ATOM 0 HA ALA A 58 73.179 -8.916 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.753 -9.104 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.400 -7.611 11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.378 -7.544 10.197 1.00 0.00 H new ATOM 898 N LYS A 59 74.588 -8.705 9.830 1.00 0.00 N ATOM 899 CA LYS A 59 75.567 -9.310 8.936 1.00 0.00 C ATOM 900 C LYS A 59 75.712 -10.817 9.144 1.00 0.00 C ATOM 901 O LYS A 59 76.739 -11.284 9.638 1.00 0.00 O ATOM 902 CB LYS A 59 76.924 -8.642 9.150 1.00 0.00 C ATOM 903 CG LYS A 59 77.877 -9.046 8.024 1.00 0.00 C ATOM 904 CD LYS A 59 79.188 -8.265 8.157 1.00 0.00 C ATOM 905 CE LYS A 59 80.098 -8.947 9.185 1.00 0.00 C ATOM 906 NZ LYS A 59 81.427 -8.272 9.199 1.00 0.00 N ATOM 0 H LYS A 59 74.024 -7.971 9.401 1.00 0.00 H new ATOM 0 HA LYS A 59 75.210 -9.157 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.808 -7.558 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.338 -8.937 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.074 -10.117 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.418 -8.845 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.690 -8.213 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.981 -7.240 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.644 -8.901 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.217 -10.002 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.044 -8.735 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.860 -8.338 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.305 -7.271 9.455 1.00 0.00 H new ATOM 920 N GLY A 60 74.703 -11.577 8.729 1.00 0.00 N ATOM 921 CA GLY A 60 74.762 -13.036 8.839 1.00 0.00 C ATOM 922 C GLY A 60 73.947 -13.563 10.012 1.00 0.00 C ATOM 923 O GLY A 60 73.512 -14.714 10.002 1.00 0.00 O ATOM 0 H GLY A 60 73.843 -11.215 8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.394 -13.482 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.800 -13.347 8.952 1.00 0.00 H new ATOM 927 N ARG A 61 73.743 -12.730 11.020 1.00 0.00 N ATOM 928 CA ARG A 61 72.982 -13.145 12.180 1.00 0.00 C ATOM 929 C ARG A 61 71.521 -13.305 11.801 1.00 0.00 C ATOM 930 O ARG A 61 71.100 -12.858 10.736 1.00 0.00 O ATOM 931 CB ARG A 61 73.149 -12.112 13.298 1.00 0.00 C ATOM 932 CG ARG A 61 74.641 -11.993 13.621 1.00 0.00 C ATOM 933 CD ARG A 61 74.930 -10.702 14.397 1.00 0.00 C ATOM 934 NE ARG A 61 73.880 -10.426 15.364 1.00 0.00 N ATOM 935 CZ ARG A 61 74.090 -9.584 16.368 1.00 0.00 C ATOM 936 NH1 ARG A 61 73.154 -9.367 17.245 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.238 -8.972 16.477 1.00 0.00 N ATOM 0 H ARG A 61 74.091 -11.772 11.056 1.00 0.00 H new ATOM 0 HA ARG A 61 73.350 -14.106 12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.749 -11.147 12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.592 -12.417 14.184 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.960 -12.854 14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.220 -12.004 12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.888 -10.789 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.016 -9.867 13.701 1.00 0.00 H new ATOM 0 HE ARG A 61 72.973 -10.884 15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 61 72.257 -9.844 17.162 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.318 -8.719 18.016 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.973 -9.141 15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.400 -8.325 17.249 1.00 0.00 H new ATOM 951 N GLN A 62 70.752 -13.942 12.670 1.00 0.00 N ATOM 952 CA GLN A 62 69.337 -14.146 12.405 1.00 0.00 C ATOM 953 C GLN A 62 68.532 -13.332 13.390 1.00 0.00 C ATOM 954 O GLN A 62 68.914 -13.188 14.551 1.00 0.00 O ATOM 955 CB GLN A 62 68.975 -15.628 12.523 1.00 0.00 C ATOM 956 CG GLN A 62 69.306 -16.120 13.931 1.00 0.00 C ATOM 957 CD GLN A 62 69.720 -17.588 13.897 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.840 -17.927 14.280 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.878 -18.484 13.460 1.00 0.00 N ATOM 0 H GLN A 62 71.080 -14.324 13.557 1.00 0.00 H new ATOM 0 HA GLN A 62 69.110 -13.824 11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 62 67.915 -15.773 12.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.527 -16.209 11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.111 -15.518 14.354 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.439 -15.995 14.580 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.951 -18.201 13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.147 -19.468 13.435 1.00 0.00 H new ATOM 968 N ILE A 63 67.433 -12.778 12.920 1.00 0.00 N ATOM 969 CA ILE A 63 66.598 -11.955 13.753 1.00 0.00 C ATOM 970 C ILE A 63 65.353 -12.691 14.170 1.00 0.00 C ATOM 971 O ILE A 63 64.815 -13.507 13.427 1.00 0.00 O ATOM 972 CB ILE A 63 66.211 -10.707 12.983 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.551 -9.707 13.926 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.234 -11.077 11.867 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.622 -8.823 14.560 1.00 0.00 C ATOM 0 H ILE A 63 67.101 -12.887 11.962 1.00 0.00 H new ATOM 0 HA ILE A 63 67.155 -11.690 14.652 1.00 0.00 H new ATOM 0 HB ILE A 63 67.105 -10.259 12.549 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.835 -9.094 13.380 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.994 -10.234 14.701 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.956 -10.180 11.314 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.707 -11.788 11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.341 -11.527 12.300 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.151 -8.108 15.234 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.321 -9.444 15.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.159 -8.285 13.779 1.00 0.00 H new ATOM 987 N GLU A 64 64.889 -12.355 15.354 1.00 0.00 N ATOM 988 CA GLU A 64 63.681 -12.936 15.894 1.00 0.00 C ATOM 989 C GLU A 64 62.628 -11.850 15.946 1.00 0.00 C ATOM 990 O GLU A 64 62.683 -10.954 16.785 1.00 0.00 O ATOM 991 CB GLU A 64 63.948 -13.516 17.290 1.00 0.00 C ATOM 992 CG GLU A 64 63.367 -14.927 17.395 1.00 0.00 C ATOM 993 CD GLU A 64 61.844 -14.872 17.336 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.257 -14.283 18.229 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.286 -15.421 16.400 1.00 0.00 O ATOM 0 H GLU A 64 65.337 -11.674 15.967 1.00 0.00 H new ATOM 0 HA GLU A 64 63.334 -13.755 15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.021 -13.541 17.482 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.503 -12.874 18.050 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.748 -15.547 16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.686 -15.392 18.328 1.00 0.00 H new ATOM 1002 N VAL A 65 61.686 -11.908 15.022 1.00 0.00 N ATOM 1003 CA VAL A 65 60.656 -10.905 14.963 1.00 0.00 C ATOM 1004 C VAL A 65 59.534 -11.257 15.905 1.00 0.00 C ATOM 1005 O VAL A 65 59.138 -12.412 15.973 1.00 0.00 O ATOM 1006 CB VAL A 65 60.111 -10.840 13.540 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.302 -12.102 13.239 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.219 -9.613 13.408 1.00 0.00 C ATOM 0 H VAL A 65 61.619 -12.636 14.310 1.00 0.00 H new ATOM 0 HA VAL A 65 61.075 -9.941 15.253 1.00 0.00 H new ATOM 0 HB VAL A 65 60.937 -10.772 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.914 -12.052 12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.943 -12.978 13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.471 -12.177 13.940 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.824 -9.558 12.394 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.393 -9.686 14.115 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.800 -8.716 13.621 1.00 0.00 H new ATOM 1018 N GLU A 66 59.006 -10.271 16.619 1.00 0.00 N ATOM 1019 CA GLU A 66 57.898 -10.547 17.512 1.00 0.00 C ATOM 1020 C GLU A 66 56.903 -9.392 17.522 1.00 0.00 C ATOM 1021 O GLU A 66 57.238 -8.294 17.954 1.00 0.00 O ATOM 1022 CB GLU A 66 58.377 -10.791 18.939 1.00 0.00 C ATOM 1023 CG GLU A 66 57.156 -10.838 19.864 1.00 0.00 C ATOM 1024 CD GLU A 66 57.524 -11.498 21.189 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.707 -11.678 21.431 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.619 -11.811 21.944 1.00 0.00 O ATOM 0 H GLU A 66 59.319 -9.300 16.597 1.00 0.00 H new ATOM 0 HA GLU A 66 57.411 -11.448 17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.932 -11.728 18.997 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.057 -9.998 19.250 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.787 -9.828 20.043 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.349 -11.392 19.385 1.00 0.00 H new ATOM 1033 N ALA A 67 55.672 -9.640 17.076 1.00 0.00 N ATOM 1034 CA ALA A 67 54.659 -8.587 17.082 1.00 0.00 C ATOM 1035 C ALA A 67 53.494 -8.981 17.972 1.00 0.00 C ATOM 1036 O ALA A 67 53.276 -10.164 18.230 1.00 0.00 O ATOM 1037 CB ALA A 67 54.187 -8.299 15.661 1.00 0.00 C ATOM 0 H ALA A 67 55.357 -10.540 16.714 1.00 0.00 H new ATOM 0 HA ALA A 67 55.101 -7.676 17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.432 -7.513 15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.033 -7.975 15.055 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.757 -9.203 15.230 1.00 0.00 H new ATOM 1043 N THR A 68 52.764 -7.985 18.477 1.00 0.00 N ATOM 1044 CA THR A 68 51.654 -8.271 19.370 1.00 0.00 C ATOM 1045 C THR A 68 50.578 -7.181 19.327 1.00 0.00 C ATOM 1046 O THR A 68 50.735 -6.114 19.920 1.00 0.00 O ATOM 1047 CB THR A 68 52.184 -8.380 20.796 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.148 -9.420 20.867 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.028 -8.678 21.742 1.00 0.00 C ATOM 0 H THR A 68 52.921 -6.996 18.285 1.00 0.00 H new ATOM 0 HA THR A 68 51.197 -9.205 19.044 1.00 0.00 H new ATOM 0 HB THR A 68 52.653 -7.440 21.086 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.489 -9.488 21.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.404 -8.757 22.762 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.295 -7.873 21.686 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.557 -9.618 21.456 1.00 0.00 H new ATOM 1057 N GLY A 69 49.478 -7.475 18.645 1.00 0.00 N ATOM 1058 CA GLY A 69 48.356 -6.543 18.545 1.00 0.00 C ATOM 1059 C GLY A 69 47.357 -7.004 17.486 1.00 0.00 C ATOM 1060 O GLY A 69 47.575 -7.996 16.801 1.00 0.00 O ATOM 0 H GLY A 69 49.336 -8.355 18.150 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.857 -6.463 19.511 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.725 -5.549 18.294 1.00 0.00 H new ATOM 1064 N PRO A 70 46.270 -6.309 17.341 1.00 0.00 N ATOM 1065 CA PRO A 70 45.223 -6.657 16.343 1.00 0.00 C ATOM 1066 C PRO A 70 45.788 -7.161 15.020 1.00 0.00 C ATOM 1067 O PRO A 70 45.371 -8.204 14.517 1.00 0.00 O ATOM 1068 CB PRO A 70 44.501 -5.332 16.153 1.00 0.00 C ATOM 1069 CG PRO A 70 44.554 -4.694 17.500 1.00 0.00 C ATOM 1070 CD PRO A 70 45.898 -5.109 18.112 1.00 0.00 C ATOM 0 HA PRO A 70 44.589 -7.476 16.683 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.991 -4.715 15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.473 -5.482 15.823 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.480 -3.609 17.421 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.723 -5.026 18.122 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.645 -4.321 18.013 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.804 -5.328 19.176 1.00 0.00 H new ATOM 1078 N GLN A 71 46.713 -6.400 14.447 1.00 0.00 N ATOM 1079 CA GLN A 71 47.297 -6.774 13.151 1.00 0.00 C ATOM 1080 C GLN A 71 48.817 -6.979 13.226 1.00 0.00 C ATOM 1081 O GLN A 71 49.553 -6.549 12.339 1.00 0.00 O ATOM 1082 CB GLN A 71 46.969 -5.690 12.119 1.00 0.00 C ATOM 1083 CG GLN A 71 45.528 -5.862 11.629 1.00 0.00 C ATOM 1084 CD GLN A 71 45.029 -4.555 11.022 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.282 -3.428 11.630 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 44.394 -4.561 9.967 1.00 0.00 N flip ATOM 0 H GLN A 71 47.074 -5.533 14.846 1.00 0.00 H new ATOM 0 HA GLN A 71 46.861 -7.728 12.855 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.097 -4.702 12.562 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.659 -5.754 11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.479 -6.660 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.885 -6.157 12.458 1.00 0.00 H new ATOM 0 HE21 GLN A 71 44.198 -5.444 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.064 -3.683 9.565 1.00 0.00 H new ATOM 1095 N GLU A 72 49.278 -7.652 14.274 1.00 0.00 N ATOM 1096 CA GLU A 72 50.706 -7.923 14.441 1.00 0.00 C ATOM 1097 C GLU A 72 51.235 -8.792 13.320 1.00 0.00 C ATOM 1098 O GLU A 72 52.370 -8.626 12.880 1.00 0.00 O ATOM 1099 CB GLU A 72 50.941 -8.625 15.787 1.00 0.00 C ATOM 1100 CG GLU A 72 49.711 -9.450 16.153 1.00 0.00 C ATOM 1101 CD GLU A 72 50.076 -10.546 17.145 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.169 -11.180 17.658 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.255 -10.735 17.376 1.00 0.00 O ATOM 0 H GLU A 72 48.688 -8.020 15.020 1.00 0.00 H new ATOM 0 HA GLU A 72 51.238 -6.972 14.417 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.818 -9.269 15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.141 -7.887 16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.947 -8.802 16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.283 -9.894 15.254 1.00 0.00 H new ATOM 1110 N GLU A 73 50.418 -9.713 12.863 1.00 0.00 N ATOM 1111 CA GLU A 73 50.840 -10.599 11.796 1.00 0.00 C ATOM 1112 C GLU A 73 51.195 -9.790 10.558 1.00 0.00 C ATOM 1113 O GLU A 73 52.338 -9.790 10.120 1.00 0.00 O ATOM 1114 CB GLU A 73 49.725 -11.597 11.465 1.00 0.00 C ATOM 1115 CG GLU A 73 49.545 -12.587 12.630 1.00 0.00 C ATOM 1116 CD GLU A 73 49.785 -14.018 12.150 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.743 -14.225 11.423 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.009 -14.883 12.519 1.00 0.00 O ATOM 0 H GLU A 73 49.470 -9.870 13.206 1.00 0.00 H new ATOM 0 HA GLU A 73 51.720 -11.151 12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.792 -11.065 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.969 -12.138 10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.240 -12.344 13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.539 -12.497 13.041 1.00 0.00 H new ATOM 1125 N GLU A 74 50.215 -9.084 10.014 1.00 0.00 N ATOM 1126 CA GLU A 74 50.446 -8.267 8.829 1.00 0.00 C ATOM 1127 C GLU A 74 51.708 -7.427 9.001 1.00 0.00 C ATOM 1128 O GLU A 74 52.492 -7.252 8.072 1.00 0.00 O ATOM 1129 CB GLU A 74 49.247 -7.341 8.606 1.00 0.00 C ATOM 1130 CG GLU A 74 47.965 -8.039 9.062 1.00 0.00 C ATOM 1131 CD GLU A 74 46.746 -7.310 8.505 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.912 -7.966 7.903 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.664 -6.108 8.690 1.00 0.00 O ATOM 0 H GLU A 74 49.259 -9.059 10.369 1.00 0.00 H new ATOM 0 HA GLU A 74 50.572 -8.924 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.384 -6.413 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.172 -7.074 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.965 -9.075 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.920 -8.060 10.151 1.00 0.00 H new ATOM 1140 N ALA A 75 51.870 -6.905 10.204 1.00 0.00 N ATOM 1141 CA ALA A 75 53.014 -6.057 10.542 1.00 0.00 C ATOM 1142 C ALA A 75 54.313 -6.843 10.557 1.00 0.00 C ATOM 1143 O ALA A 75 55.233 -6.532 9.815 1.00 0.00 O ATOM 1144 CB ALA A 75 52.774 -5.420 11.924 1.00 0.00 C ATOM 0 H ALA A 75 51.219 -7.052 10.975 1.00 0.00 H new ATOM 0 HA ALA A 75 53.107 -5.285 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.622 -4.786 12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.866 -4.818 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.664 -6.205 12.672 1.00 0.00 H new ATOM 1150 N LEU A 76 54.368 -7.854 11.399 1.00 0.00 N ATOM 1151 CA LEU A 76 55.548 -8.700 11.526 1.00 0.00 C ATOM 1152 C LEU A 76 55.702 -9.559 10.279 1.00 0.00 C ATOM 1153 O LEU A 76 56.806 -9.945 9.901 1.00 0.00 O ATOM 1154 CB LEU A 76 55.343 -9.548 12.787 1.00 0.00 C ATOM 1155 CG LEU A 76 55.996 -10.930 12.699 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.998 -11.532 14.111 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.196 -11.848 11.754 1.00 0.00 C ATOM 0 H LEU A 76 53.600 -8.116 12.016 1.00 0.00 H new ATOM 0 HA LEU A 76 56.464 -8.116 11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.751 -9.015 13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.275 -9.669 12.965 1.00 0.00 H new ATOM 0 HG LEU A 76 57.009 -10.839 12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.458 -12.520 14.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.565 -10.886 14.781 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.973 -11.618 14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.675 -12.826 11.704 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.180 -11.961 12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.166 -11.407 10.757 1.00 0.00 H new ATOM 1169 N ALA A 77 54.574 -9.833 9.644 1.00 0.00 N ATOM 1170 CA ALA A 77 54.548 -10.633 8.425 1.00 0.00 C ATOM 1171 C ALA A 77 54.902 -9.775 7.213 1.00 0.00 C ATOM 1172 O ALA A 77 55.308 -10.292 6.172 1.00 0.00 O ATOM 1173 CB ALA A 77 53.145 -11.210 8.233 1.00 0.00 C ATOM 0 H ALA A 77 53.657 -9.512 9.954 1.00 0.00 H new ATOM 0 HA ALA A 77 55.279 -11.436 8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.119 -11.809 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.889 -11.837 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.425 -10.396 8.152 1.00 0.00 H new ATOM 1179 N ALA A 78 54.748 -8.461 7.357 1.00 0.00 N ATOM 1180 CA ALA A 78 55.056 -7.544 6.265 1.00 0.00 C ATOM 1181 C ALA A 78 56.551 -7.273 6.245 1.00 0.00 C ATOM 1182 O ALA A 78 57.156 -7.101 5.184 1.00 0.00 O ATOM 1183 CB ALA A 78 54.281 -6.231 6.432 1.00 0.00 C ATOM 0 H ALA A 78 54.415 -8.012 8.210 1.00 0.00 H new ATOM 0 HA ALA A 78 54.757 -7.998 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.523 -5.559 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.211 -6.437 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.558 -5.763 7.376 1.00 0.00 H new ATOM 1189 N VAL A 79 57.149 -7.282 7.430 1.00 0.00 N ATOM 1190 CA VAL A 79 58.580 -7.080 7.545 1.00 0.00 C ATOM 1191 C VAL A 79 59.263 -8.313 6.998 1.00 0.00 C ATOM 1192 O VAL A 79 60.211 -8.232 6.230 1.00 0.00 O ATOM 1193 CB VAL A 79 58.980 -6.888 9.017 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.741 -6.643 9.859 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.681 -8.145 9.525 1.00 0.00 C ATOM 0 H VAL A 79 56.666 -7.426 8.317 1.00 0.00 H new ATOM 0 HA VAL A 79 58.875 -6.189 6.991 1.00 0.00 H new ATOM 0 HB VAL A 79 59.651 -6.032 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.030 -6.508 10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.232 -5.747 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.070 -7.498 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.964 -8.007 10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.006 -8.997 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.574 -8.330 8.928 1.00 0.00 H new ATOM 1205 N ILE A 80 58.752 -9.458 7.425 1.00 0.00 N ATOM 1206 CA ILE A 80 59.278 -10.733 7.011 1.00 0.00 C ATOM 1207 C ILE A 80 59.414 -10.756 5.524 1.00 0.00 C ATOM 1208 O ILE A 80 60.512 -10.874 5.000 1.00 0.00 O ATOM 1209 CB ILE A 80 58.343 -11.814 7.515 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.630 -11.975 9.012 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.566 -13.126 6.752 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.407 -13.257 9.277 1.00 0.00 C ATOM 0 H ILE A 80 57.962 -9.521 8.067 1.00 0.00 H new ATOM 0 HA ILE A 80 60.269 -10.907 7.429 1.00 0.00 H new ATOM 0 HB ILE A 80 57.300 -11.543 7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.199 -11.118 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.692 -11.991 9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.884 -13.887 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.378 -12.966 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.595 -13.458 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.600 -13.351 10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.824 -14.113 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.354 -13.226 8.739 1.00 0.00 H new ATOM 1224 N ALA A 81 58.314 -10.584 4.835 1.00 0.00 N ATOM 1225 CA ALA A 81 58.393 -10.535 3.399 1.00 0.00 C ATOM 1226 C ALA A 81 59.514 -9.589 3.038 1.00 0.00 C ATOM 1227 O ALA A 81 60.101 -9.674 1.960 1.00 0.00 O ATOM 1228 CB ALA A 81 57.099 -10.020 2.810 1.00 0.00 C ATOM 0 H ALA A 81 57.380 -10.478 5.231 1.00 0.00 H new ATOM 0 HA ALA A 81 58.574 -11.534 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.180 -9.991 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.281 -10.681 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.902 -9.016 3.186 1.00 0.00 H new ATOM 1234 N LEU A 82 59.826 -8.694 3.980 1.00 0.00 N ATOM 1235 CA LEU A 82 60.896 -7.753 3.778 1.00 0.00 C ATOM 1236 C LEU A 82 62.180 -8.344 4.336 1.00 0.00 C ATOM 1237 O LEU A 82 63.248 -8.216 3.739 1.00 0.00 O ATOM 1238 CB LEU A 82 60.546 -6.431 4.458 1.00 0.00 C ATOM 1239 CG LEU A 82 60.752 -5.281 3.471 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.216 -5.263 3.008 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.818 -5.474 2.260 1.00 0.00 C ATOM 0 H LEU A 82 59.349 -8.613 4.878 1.00 0.00 H new ATOM 0 HA LEU A 82 61.038 -7.555 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.512 -6.449 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.172 -6.286 5.338 1.00 0.00 H new ATOM 0 HG LEU A 82 60.519 -4.333 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.365 -4.444 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.869 -5.124 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.455 -6.208 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 59.963 -4.656 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.048 -6.420 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 82 58.782 -5.483 2.598 1.00 0.00 H new ATOM 1253 N PHE A 83 62.059 -9.026 5.471 1.00 0.00 N ATOM 1254 CA PHE A 83 63.209 -9.664 6.070 1.00 0.00 C ATOM 1255 C PHE A 83 63.591 -10.849 5.207 1.00 0.00 C ATOM 1256 O PHE A 83 64.765 -11.179 5.042 1.00 0.00 O ATOM 1257 CB PHE A 83 62.906 -10.121 7.490 1.00 0.00 C ATOM 1258 CG PHE A 83 63.020 -8.973 8.464 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.253 -9.258 9.810 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.904 -7.637 8.041 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.374 -8.225 10.734 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.025 -6.603 8.973 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.261 -6.901 10.318 1.00 0.00 C ATOM 0 H PHE A 83 61.185 -9.146 5.983 1.00 0.00 H new ATOM 0 HA PHE A 83 64.033 -8.953 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.901 -10.541 7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.596 -10.915 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.340 -10.284 10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.722 -7.411 7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.556 -8.450 11.775 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.936 -5.575 8.654 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.356 -6.101 11.037 1.00 0.00 H new ATOM 1273 N ASN A 84 62.565 -11.452 4.629 1.00 0.00 N ATOM 1274 CA ASN A 84 62.732 -12.574 3.735 1.00 0.00 C ATOM 1275 C ASN A 84 63.184 -12.044 2.400 1.00 0.00 C ATOM 1276 O ASN A 84 63.716 -12.761 1.553 1.00 0.00 O ATOM 1277 CB ASN A 84 61.391 -13.293 3.580 1.00 0.00 C ATOM 1278 CG ASN A 84 61.588 -14.805 3.544 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.417 -15.307 2.786 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.868 -15.564 4.325 1.00 0.00 N ATOM 0 H ASN A 84 61.594 -11.173 4.770 1.00 0.00 H new ATOM 0 HA ASN A 84 63.469 -13.275 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.733 -13.027 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.900 -12.964 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.992 -16.576 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.182 -15.145 4.952 1.00 0.00 H new ATOM 1287 N SER A 85 62.949 -10.764 2.251 1.00 0.00 N ATOM 1288 CA SER A 85 63.310 -10.053 1.027 1.00 0.00 C ATOM 1289 C SER A 85 62.761 -8.630 1.046 1.00 0.00 C ATOM 1290 O SER A 85 61.624 -8.449 0.640 1.00 0.00 O ATOM 1291 CB SER A 85 62.761 -10.800 -0.192 1.00 0.00 C ATOM 1292 OG SER A 85 63.684 -11.809 -0.578 1.00 0.00 O ATOM 1293 OXT SER A 85 63.487 -7.741 1.460 1.00 0.00 O ATOM 0 H SER A 85 62.507 -10.181 2.961 1.00 0.00 H new ATOM 0 HA SER A 85 64.397 -10.006 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 85 61.795 -11.246 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.598 -10.105 -1.016 1.00 0.00 H new ATOM 0 HG SER A 85 63.807 -12.440 0.162 1.00 0.00 H new