USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 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 -10:sc= 0.786 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= -0.594 (180deg=-0.887) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.977 F(o=-2.6,f=-0.98) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 138:sc= -5.97! (180deg=-10.9!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -9.98! C(o=-12!,f=-10!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.5!) 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+ 160:sc= -0.0118 (180deg=-0.297) USER MOD Single : A 62 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.77) USER MOD Single : A 68 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 71 GLN :FLIP amide:sc= -0.388 F(o=-1.2,f=-0.39) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.067) USER MOD Single : A 85 SER OG : rot -67:sc= 0.717 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 50.441 -13.466 20.332 1.00 0.00 N ATOM 21 CA THR A 2 51.781 -12.960 20.039 1.00 0.00 C ATOM 22 C THR A 2 52.417 -13.735 18.893 1.00 0.00 C ATOM 23 O THR A 2 52.155 -14.926 18.723 1.00 0.00 O ATOM 24 CB THR A 2 52.677 -13.106 21.278 1.00 0.00 C ATOM 25 OG1 THR A 2 51.889 -13.519 22.384 1.00 0.00 O ATOM 26 CG2 THR A 2 53.347 -11.770 21.598 1.00 0.00 C ATOM 0 HA THR A 2 51.688 -11.911 19.758 1.00 0.00 H new ATOM 0 HB THR A 2 53.447 -13.851 21.078 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.939 -13.454 22.152 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.981 -11.882 22.478 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.956 -11.456 20.750 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.583 -11.018 21.795 1.00 0.00 H new ATOM 34 N VAL A 3 53.289 -13.074 18.135 1.00 0.00 N ATOM 35 CA VAL A 3 53.981 -13.730 17.060 1.00 0.00 C ATOM 36 C VAL A 3 55.415 -13.320 17.096 1.00 0.00 C ATOM 37 O VAL A 3 55.738 -12.151 17.289 1.00 0.00 O ATOM 38 CB VAL A 3 53.413 -13.355 15.721 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.257 -14.281 15.406 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.942 -11.906 15.764 1.00 0.00 C ATOM 0 H VAL A 3 53.524 -12.089 18.255 1.00 0.00 H new ATOM 0 HA VAL A 3 53.870 -14.806 17.191 1.00 0.00 H new ATOM 0 HB VAL A 3 54.171 -13.453 14.944 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.835 -14.019 14.436 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.612 -15.311 15.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.490 -14.180 16.174 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.529 -11.629 14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.175 -11.795 16.530 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.785 -11.256 15.998 1.00 0.00 H new ATOM 50 N LYS A 4 56.263 -14.287 16.920 1.00 0.00 N ATOM 51 CA LYS A 4 57.666 -14.042 16.942 1.00 0.00 C ATOM 52 C LYS A 4 58.389 -15.055 16.096 1.00 0.00 C ATOM 53 O LYS A 4 58.078 -16.246 16.124 1.00 0.00 O ATOM 54 CB LYS A 4 58.166 -14.097 18.367 1.00 0.00 C ATOM 55 CG LYS A 4 57.748 -15.428 19.023 1.00 0.00 C ATOM 56 CD LYS A 4 56.652 -15.199 20.082 1.00 0.00 C ATOM 57 CE LYS A 4 55.258 -15.146 19.429 1.00 0.00 C ATOM 58 NZ LYS A 4 54.294 -15.906 20.274 1.00 0.00 N ATOM 0 H LYS A 4 56.001 -15.260 16.759 1.00 0.00 H new ATOM 0 HA LYS A 4 57.861 -13.051 16.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.251 -13.999 18.384 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.762 -13.259 18.935 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.384 -16.116 18.260 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.615 -15.897 19.487 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.682 -16.000 20.821 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.844 -14.267 20.614 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.931 -14.111 19.324 1.00 0.00 H new ATOM 0 HE3 LYS A 4 55.296 -15.572 18.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.331 -15.776 19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.538 -16.917 20.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.339 -15.556 21.252 1.00 0.00 H new ATOM 72 N GLN A 5 59.329 -14.573 15.312 1.00 0.00 N ATOM 73 CA GLN A 5 60.055 -15.456 14.422 1.00 0.00 C ATOM 74 C GLN A 5 61.504 -15.028 14.252 1.00 0.00 C ATOM 75 O GLN A 5 61.848 -13.859 14.386 1.00 0.00 O ATOM 76 CB GLN A 5 59.357 -15.445 13.078 1.00 0.00 C ATOM 77 CG GLN A 5 57.840 -15.454 13.303 1.00 0.00 C ATOM 78 CD GLN A 5 57.112 -15.574 11.968 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.782 -15.904 10.897 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.901 -15.363 11.898 1.00 0.00 N flip ATOM 0 H GLN A 5 59.606 -13.592 15.271 1.00 0.00 H new ATOM 0 HA GLN A 5 60.065 -16.458 14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.648 -14.561 12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.656 -16.314 12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.566 -16.286 13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.535 -14.540 13.812 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.379 -15.105 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.420 -15.446 11.002 1.00 0.00 H new ATOM 89 N THR A 6 62.345 -15.995 13.954 1.00 0.00 N ATOM 90 CA THR A 6 63.750 -15.742 13.758 1.00 0.00 C ATOM 91 C THR A 6 64.098 -15.770 12.278 1.00 0.00 C ATOM 92 O THR A 6 64.138 -16.835 11.662 1.00 0.00 O ATOM 93 CB THR A 6 64.556 -16.806 14.494 1.00 0.00 C ATOM 94 OG1 THR A 6 63.917 -17.118 15.724 1.00 0.00 O ATOM 95 CG2 THR A 6 65.952 -16.273 14.762 1.00 0.00 C ATOM 0 H THR A 6 62.073 -16.972 13.842 1.00 0.00 H new ATOM 0 HA THR A 6 63.991 -14.754 14.151 1.00 0.00 H new ATOM 0 HB THR A 6 64.620 -17.708 13.886 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.434 -17.803 16.197 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.535 -17.029 15.288 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.438 -16.034 13.816 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.887 -15.373 15.374 1.00 0.00 H new ATOM 103 N VAL A 7 64.349 -14.596 11.707 1.00 0.00 N ATOM 104 CA VAL A 7 64.693 -14.523 10.285 1.00 0.00 C ATOM 105 C VAL A 7 66.204 -14.411 10.082 1.00 0.00 C ATOM 106 O VAL A 7 66.827 -13.438 10.499 1.00 0.00 O ATOM 107 CB VAL A 7 64.016 -13.312 9.625 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.835 -13.567 8.114 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.651 -13.059 10.281 1.00 0.00 C ATOM 0 H VAL A 7 64.323 -13.699 12.191 1.00 0.00 H new ATOM 0 HA VAL A 7 64.338 -15.444 9.822 1.00 0.00 H new ATOM 0 HB VAL A 7 64.646 -12.433 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.354 -12.703 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.809 -13.728 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.213 -14.450 7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.175 -12.199 9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 7 62.019 -13.938 10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.789 -12.860 11.344 1.00 0.00 H new ATOM 119 N GLU A 8 66.787 -15.393 9.407 1.00 0.00 N ATOM 120 CA GLU A 8 68.217 -15.352 9.132 1.00 0.00 C ATOM 121 C GLU A 8 68.488 -14.244 8.122 1.00 0.00 C ATOM 122 O GLU A 8 68.101 -14.353 6.959 1.00 0.00 O ATOM 123 CB GLU A 8 68.684 -16.698 8.572 1.00 0.00 C ATOM 124 CG GLU A 8 68.314 -17.811 9.554 1.00 0.00 C ATOM 125 CD GLU A 8 68.624 -19.173 8.944 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.202 -19.994 9.638 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.280 -19.376 7.791 1.00 0.00 O ATOM 0 H GLU A 8 66.302 -16.214 9.045 1.00 0.00 H new ATOM 0 HA GLU A 8 68.764 -15.154 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.219 -16.883 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.762 -16.683 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.869 -17.686 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.255 -17.749 9.804 1.00 0.00 H new ATOM 134 N ILE A 9 69.126 -13.166 8.568 1.00 0.00 N ATOM 135 CA ILE A 9 69.394 -12.050 7.669 1.00 0.00 C ATOM 136 C ILE A 9 70.370 -12.441 6.577 1.00 0.00 C ATOM 137 O ILE A 9 71.336 -13.167 6.813 1.00 0.00 O ATOM 138 CB ILE A 9 70.009 -10.853 8.408 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.444 -10.719 9.825 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.747 -9.569 7.616 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.014 -10.161 9.817 1.00 0.00 C ATOM 0 H ILE A 9 69.460 -13.042 9.524 1.00 0.00 H new ATOM 0 HA ILE A 9 68.428 -11.776 7.245 1.00 0.00 H new ATOM 0 HB ILE A 9 71.083 -11.020 8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.451 -11.694 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.087 -10.063 10.412 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.185 -8.721 8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.197 -9.653 6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.672 -9.417 7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.649 -10.081 10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.011 -9.175 9.353 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.365 -10.830 9.252 1.00 0.00 H new ATOM 311 N ALA A 20 62.425 -2.092 7.543 1.00 0.00 N ATOM 312 CA ALA A 20 62.458 -1.819 8.968 1.00 0.00 C ATOM 313 C ALA A 20 61.586 -0.615 9.293 1.00 0.00 C ATOM 314 O ALA A 20 60.977 -0.543 10.358 1.00 0.00 O ATOM 315 CB ALA A 20 63.908 -1.556 9.383 1.00 0.00 C ATOM 0 HA ALA A 20 62.069 -2.676 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.949 -1.349 10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.515 -2.433 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.294 -0.698 8.833 1.00 0.00 H new ATOM 321 N MET A 21 61.537 0.325 8.364 1.00 0.00 N ATOM 322 CA MET A 21 60.741 1.531 8.545 1.00 0.00 C ATOM 323 C MET A 21 59.260 1.260 8.274 1.00 0.00 C ATOM 324 O MET A 21 58.394 1.851 8.915 1.00 0.00 O ATOM 325 CB MET A 21 61.251 2.637 7.622 1.00 0.00 C ATOM 326 CG MET A 21 62.668 3.029 8.045 1.00 0.00 C ATOM 327 SD MET A 21 63.218 4.452 7.072 1.00 0.00 S ATOM 328 CE MET A 21 62.604 5.741 8.185 1.00 0.00 C ATOM 0 H MET A 21 62.038 0.278 7.477 1.00 0.00 H new ATOM 0 HA MET A 21 60.841 1.853 9.581 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.249 2.294 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.591 3.503 7.672 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.687 3.272 9.107 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.348 2.190 7.898 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.840 6.722 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.524 5.643 8.294 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.078 5.635 9.161 1.00 0.00 H new ATOM 338 N LYS A 22 58.959 0.355 7.341 1.00 0.00 N ATOM 339 CA LYS A 22 57.559 0.041 7.056 1.00 0.00 C ATOM 340 C LYS A 22 56.866 -0.261 8.366 1.00 0.00 C ATOM 341 O LYS A 22 55.870 0.360 8.713 1.00 0.00 O ATOM 342 CB LYS A 22 57.432 -1.169 6.129 1.00 0.00 C ATOM 343 CG LYS A 22 58.413 -1.032 4.972 1.00 0.00 C ATOM 344 CD LYS A 22 58.017 0.155 4.073 1.00 0.00 C ATOM 345 CE LYS A 22 58.995 1.316 4.281 1.00 0.00 C ATOM 346 NZ LYS A 22 58.562 2.483 3.462 1.00 0.00 N ATOM 0 H LYS A 22 59.642 -0.159 6.785 1.00 0.00 H new ATOM 0 HA LYS A 22 57.102 0.895 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.633 -2.086 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.413 -1.243 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.422 -0.884 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.427 -1.952 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.021 -0.152 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.002 0.477 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.031 1.591 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.002 1.012 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.226 3.271 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.550 2.216 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.608 2.777 3.754 1.00 0.00 H new ATOM 360 N LEU A 23 57.445 -1.191 9.108 1.00 0.00 N ATOM 361 CA LEU A 23 56.933 -1.561 10.415 1.00 0.00 C ATOM 362 C LEU A 23 56.404 -0.328 11.123 1.00 0.00 C ATOM 363 O LEU A 23 55.243 -0.246 11.502 1.00 0.00 O ATOM 364 CB LEU A 23 58.097 -2.093 11.237 1.00 0.00 C ATOM 365 CG LEU A 23 58.214 -3.608 11.127 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.840 -3.995 9.785 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.112 -4.085 12.260 1.00 0.00 C ATOM 0 H LEU A 23 58.277 -1.707 8.823 1.00 0.00 H new ATOM 0 HA LEU A 23 56.140 -2.301 10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.024 -1.630 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.964 -1.813 12.282 1.00 0.00 H new ATOM 0 HG LEU A 23 57.227 -4.066 11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.918 -5.080 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.215 -3.626 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.834 -3.555 9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.217 -5.169 12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.094 -3.621 12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.669 -3.807 13.217 1.00 0.00 H new ATOM 379 N PHE A 24 57.306 0.616 11.300 1.00 0.00 N ATOM 380 CA PHE A 24 57.005 1.865 11.979 1.00 0.00 C ATOM 381 C PHE A 24 55.822 2.582 11.324 1.00 0.00 C ATOM 382 O PHE A 24 54.777 2.792 11.948 1.00 0.00 O ATOM 383 CB PHE A 24 58.242 2.757 11.908 1.00 0.00 C ATOM 384 CG PHE A 24 59.368 2.194 12.762 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.858 0.890 12.557 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.946 3.000 13.745 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.918 0.412 13.337 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.999 2.519 14.525 1.00 0.00 C ATOM 389 CZ PHE A 24 61.488 1.227 14.320 1.00 0.00 C ATOM 0 H PHE A 24 58.271 0.541 10.977 1.00 0.00 H new ATOM 0 HA PHE A 24 56.736 1.653 13.014 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.574 2.844 10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.990 3.762 12.247 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.417 0.259 11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.576 4.002 13.903 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.296 -0.587 13.179 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.436 3.147 15.288 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.306 0.857 14.920 1.00 0.00 H new ATOM 399 N GLU A 25 55.986 2.939 10.058 1.00 0.00 N ATOM 400 CA GLU A 25 54.930 3.615 9.326 1.00 0.00 C ATOM 401 C GLU A 25 53.729 2.689 9.216 1.00 0.00 C ATOM 402 O GLU A 25 52.578 3.124 9.264 1.00 0.00 O ATOM 403 CB GLU A 25 55.447 4.000 7.933 1.00 0.00 C ATOM 404 CG GLU A 25 54.307 3.962 6.917 1.00 0.00 C ATOM 405 CD GLU A 25 54.706 4.715 5.653 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.408 5.895 5.570 1.00 0.00 O ATOM 407 OE2 GLU A 25 55.304 4.100 4.785 1.00 0.00 O ATOM 0 H GLU A 25 56.837 2.772 9.521 1.00 0.00 H new ATOM 0 HA GLU A 25 54.628 4.522 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.884 4.998 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.238 3.315 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.062 2.928 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 25 53.411 4.408 7.348 1.00 0.00 H new ATOM 414 N LEU A 26 54.022 1.408 9.078 1.00 0.00 N ATOM 415 CA LEU A 26 52.988 0.397 8.971 1.00 0.00 C ATOM 416 C LEU A 26 52.327 0.197 10.322 1.00 0.00 C ATOM 417 O LEU A 26 51.118 -0.001 10.408 1.00 0.00 O ATOM 418 CB LEU A 26 53.605 -0.917 8.465 1.00 0.00 C ATOM 419 CG LEU A 26 52.530 -1.991 8.273 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.079 -2.535 9.635 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.332 -1.399 7.522 1.00 0.00 C ATOM 0 H LEU A 26 54.974 1.043 9.037 1.00 0.00 H new ATOM 0 HA LEU A 26 52.228 0.721 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.121 -0.741 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.353 -1.269 9.176 1.00 0.00 H new ATOM 0 HG LEU A 26 52.948 -2.810 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.315 -3.298 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 52.933 -2.972 10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.669 -1.722 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.571 -2.167 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.915 -0.571 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.657 -1.037 6.547 1.00 0.00 H new ATOM 433 N MET A 27 53.119 0.288 11.378 1.00 0.00 N ATOM 434 CA MET A 27 52.579 0.148 12.714 1.00 0.00 C ATOM 435 C MET A 27 51.484 1.180 12.867 1.00 0.00 C ATOM 436 O MET A 27 50.518 0.989 13.604 1.00 0.00 O ATOM 437 CB MET A 27 53.667 0.370 13.771 1.00 0.00 C ATOM 438 CG MET A 27 54.550 -0.882 13.890 1.00 0.00 C ATOM 439 SD MET A 27 54.106 -1.799 15.385 1.00 0.00 S ATOM 440 CE MET A 27 52.801 -2.828 14.664 1.00 0.00 C ATOM 0 H MET A 27 54.124 0.456 11.335 1.00 0.00 H new ATOM 0 HA MET A 27 52.188 -0.859 12.858 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.278 1.231 13.500 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.209 0.594 14.734 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.421 -1.515 13.012 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.601 -0.596 13.926 1.00 0.00 H new ATOM 0 HE1 MET A 27 52.891 -3.847 15.041 1.00 0.00 H new ATOM 0 HE2 MET A 27 51.826 -2.424 14.938 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.900 -2.833 13.578 1.00 0.00 H new ATOM 450 N GLN A 28 51.629 2.266 12.114 1.00 0.00 N ATOM 451 CA GLN A 28 50.626 3.312 12.123 1.00 0.00 C ATOM 452 C GLN A 28 49.410 2.788 11.371 1.00 0.00 C ATOM 453 O GLN A 28 48.334 3.385 11.394 1.00 0.00 O ATOM 454 CB GLN A 28 51.172 4.579 11.446 1.00 0.00 C ATOM 455 CG GLN A 28 51.025 5.777 12.390 1.00 0.00 C ATOM 456 CD GLN A 28 51.339 7.070 11.645 1.00 0.00 C ATOM 457 OE1 GLN A 28 52.473 7.280 11.216 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.396 7.954 11.465 1.00 0.00 N ATOM 0 H GLN A 28 52.424 2.439 11.498 1.00 0.00 H new ATOM 0 HA GLN A 28 50.355 3.575 13.146 1.00 0.00 H new ATOM 0 HB2 GLN A 28 52.220 4.439 11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 28 50.633 4.768 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.011 5.814 12.788 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.698 5.665 13.240 1.00 0.00 H new ATOM 0 HE21 GLN A 28 49.457 7.778 11.822 1.00 0.00 H new ATOM 0 HE22 GLN A 28 50.598 8.821 10.968 1.00 0.00 H new ATOM 467 N GLY A 29 49.611 1.646 10.711 1.00 0.00 N ATOM 468 CA GLY A 29 48.547 0.999 9.945 1.00 0.00 C ATOM 469 C GLY A 29 48.023 -0.228 10.686 1.00 0.00 C ATOM 470 O GLY A 29 46.818 -0.477 10.723 1.00 0.00 O ATOM 0 H GLY A 29 50.502 1.150 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.733 1.704 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.923 0.706 8.965 1.00 0.00 H new ATOM 474 N PHE A 30 48.940 -0.985 11.290 1.00 0.00 N ATOM 475 CA PHE A 30 48.566 -2.180 12.049 1.00 0.00 C ATOM 476 C PHE A 30 48.679 -1.866 13.530 1.00 0.00 C ATOM 477 O PHE A 30 49.460 -1.002 13.923 1.00 0.00 O ATOM 478 CB PHE A 30 49.509 -3.358 11.770 1.00 0.00 C ATOM 479 CG PHE A 30 49.440 -3.859 10.343 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.988 -3.064 9.284 1.00 0.00 C ATOM 481 CD2 PHE A 30 49.900 -5.143 10.087 1.00 0.00 C ATOM 482 CE1 PHE A 30 49.013 -3.569 7.980 1.00 0.00 C ATOM 483 CE2 PHE A 30 49.918 -5.646 8.792 1.00 0.00 C ATOM 484 CZ PHE A 30 49.483 -4.859 7.733 1.00 0.00 C ATOM 0 H PHE A 30 49.942 -0.794 11.269 1.00 0.00 H new ATOM 0 HA PHE A 30 47.553 -2.454 11.754 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.532 -3.055 11.992 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.265 -4.177 12.447 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.622 -2.066 9.473 1.00 0.00 H new ATOM 0 HD2 PHE A 30 50.248 -5.758 10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.667 -2.957 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 30 50.271 -6.650 8.608 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.509 -5.244 6.724 1.00 0.00 H new ATOM 494 N ASP A 31 47.938 -2.588 14.357 1.00 0.00 N ATOM 495 CA ASP A 31 48.022 -2.381 15.787 1.00 0.00 C ATOM 496 C ASP A 31 48.740 -3.570 16.376 1.00 0.00 C ATOM 497 O ASP A 31 48.151 -4.631 16.577 1.00 0.00 O ATOM 498 CB ASP A 31 46.627 -2.248 16.393 1.00 0.00 C ATOM 499 CG ASP A 31 46.731 -1.921 17.879 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.680 -2.372 18.500 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.860 -1.225 18.374 1.00 0.00 O ATOM 0 H ASP A 31 47.282 -3.312 14.064 1.00 0.00 H new ATOM 0 HA ASP A 31 48.563 -1.460 16.006 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.071 -1.464 15.878 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.072 -3.176 16.255 1.00 0.00 H new ATOM 506 N ALA A 32 50.025 -3.397 16.620 1.00 0.00 N ATOM 507 CA ALA A 32 50.818 -4.459 17.145 1.00 0.00 C ATOM 508 C ALA A 32 52.151 -3.918 17.580 1.00 0.00 C ATOM 509 O ALA A 32 52.535 -2.808 17.218 1.00 0.00 O ATOM 510 CB ALA A 32 50.995 -5.532 16.082 1.00 0.00 C ATOM 0 H ALA A 32 50.530 -2.525 16.458 1.00 0.00 H new ATOM 0 HA ALA A 32 50.322 -4.902 18.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.601 -6.344 16.483 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.019 -5.918 15.789 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.492 -5.103 15.212 1.00 0.00 H new ATOM 516 N GLU A 33 52.836 -4.695 18.375 1.00 0.00 N ATOM 517 CA GLU A 33 54.111 -4.301 18.885 1.00 0.00 C ATOM 518 C GLU A 33 55.172 -5.234 18.366 1.00 0.00 C ATOM 519 O GLU A 33 55.518 -6.236 18.991 1.00 0.00 O ATOM 520 CB GLU A 33 54.032 -4.339 20.385 1.00 0.00 C ATOM 521 CG GLU A 33 54.684 -3.087 20.943 1.00 0.00 C ATOM 522 CD GLU A 33 54.844 -3.199 22.455 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.955 -3.746 23.087 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.854 -2.736 22.960 1.00 0.00 O ATOM 0 H GLU A 33 52.523 -5.615 18.684 1.00 0.00 H new ATOM 0 HA GLU A 33 54.374 -3.294 18.561 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.992 -4.398 20.706 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.534 -5.228 20.767 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.659 -2.939 20.478 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.078 -2.214 20.699 1.00 0.00 H new ATOM 531 N VAL A 34 55.671 -4.880 17.210 1.00 0.00 N ATOM 532 CA VAL A 34 56.696 -5.672 16.557 1.00 0.00 C ATOM 533 C VAL A 34 58.039 -5.395 17.193 1.00 0.00 C ATOM 534 O VAL A 34 58.520 -4.266 17.174 1.00 0.00 O ATOM 535 CB VAL A 34 56.796 -5.333 15.065 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.564 -6.448 14.349 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.404 -5.180 14.446 1.00 0.00 C ATOM 0 H VAL A 34 55.387 -4.047 16.695 1.00 0.00 H new ATOM 0 HA VAL A 34 56.423 -6.721 16.670 1.00 0.00 H new ATOM 0 HB VAL A 34 57.323 -4.386 14.952 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.639 -6.214 13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.564 -6.532 14.774 1.00 0.00 H new ATOM 0 HG13 VAL A 34 57.036 -7.393 14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.501 -4.940 13.387 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.852 -6.113 14.557 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.867 -4.378 14.952 1.00 0.00 H new ATOM 547 N LEU A 35 58.653 -6.423 17.756 1.00 0.00 N ATOM 548 CA LEU A 35 59.949 -6.241 18.375 1.00 0.00 C ATOM 549 C LEU A 35 61.012 -7.006 17.599 1.00 0.00 C ATOM 550 O LEU A 35 60.871 -8.200 17.334 1.00 0.00 O ATOM 551 CB LEU A 35 59.919 -6.708 19.826 1.00 0.00 C ATOM 552 CG LEU A 35 61.347 -6.778 20.381 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.291 -6.720 21.906 1.00 0.00 C ATOM 554 CD2 LEU A 35 62.035 -8.084 19.937 1.00 0.00 C ATOM 0 H LEU A 35 58.282 -7.372 17.796 1.00 0.00 H new ATOM 0 HA LEU A 35 60.195 -5.179 18.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.320 -6.023 20.425 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.445 -7.687 19.892 1.00 0.00 H new ATOM 0 HG LEU A 35 61.922 -5.936 19.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.302 -6.769 22.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.821 -5.787 22.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.709 -7.562 22.281 1.00 0.00 H new ATOM 0 HD21 LEU A 35 63.047 -8.117 20.340 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.469 -8.938 20.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.076 -8.122 18.848 1.00 0.00 H new ATOM 566 N LEU A 36 62.063 -6.298 17.220 1.00 0.00 N ATOM 567 CA LEU A 36 63.153 -6.885 16.453 1.00 0.00 C ATOM 568 C LEU A 36 64.389 -7.099 17.315 1.00 0.00 C ATOM 569 O LEU A 36 64.835 -6.185 17.991 1.00 0.00 O ATOM 570 CB LEU A 36 63.517 -5.931 15.328 1.00 0.00 C ATOM 571 CG LEU A 36 62.560 -6.130 14.155 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.116 -6.011 14.648 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.823 -5.054 13.110 1.00 0.00 C ATOM 0 H LEU A 36 62.186 -5.308 17.432 1.00 0.00 H new ATOM 0 HA LEU A 36 62.824 -7.851 16.070 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.466 -4.901 15.681 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.543 -6.107 15.006 1.00 0.00 H new ATOM 0 HG LEU A 36 62.715 -7.117 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.433 -6.153 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.926 -6.772 15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.959 -5.023 15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.143 -5.190 12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.662 -4.071 13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.853 -5.130 12.760 1.00 0.00 H new ATOM 585 N ARG A 37 64.957 -8.298 17.269 1.00 0.00 N ATOM 586 CA ARG A 37 66.151 -8.581 18.028 1.00 0.00 C ATOM 587 C ARG A 37 67.029 -9.568 17.297 1.00 0.00 C ATOM 588 O ARG A 37 66.569 -10.306 16.435 1.00 0.00 O ATOM 589 CB ARG A 37 65.798 -9.158 19.387 1.00 0.00 C ATOM 590 CG ARG A 37 64.928 -10.386 19.214 1.00 0.00 C ATOM 591 CD ARG A 37 64.419 -10.866 20.578 1.00 0.00 C ATOM 592 NE ARG A 37 63.172 -11.605 20.420 1.00 0.00 N ATOM 593 CZ ARG A 37 62.701 -12.371 21.397 1.00 0.00 C ATOM 594 NH1 ARG A 37 61.584 -13.025 21.234 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.355 -12.470 22.522 1.00 0.00 N ATOM 0 H ARG A 37 64.607 -9.080 16.716 1.00 0.00 H new ATOM 0 HA ARG A 37 66.688 -7.641 18.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.707 -9.419 19.929 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.274 -8.411 19.984 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.085 -10.155 18.563 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.497 -11.179 18.730 1.00 0.00 H new ATOM 0 HD2 ARG A 37 65.169 -11.501 21.051 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.263 -10.012 21.237 1.00 0.00 H new ATOM 0 HE ARG A 37 62.653 -11.532 19.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 61.072 -12.948 20.355 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.223 -13.613 21.985 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.228 -11.959 22.651 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.993 -13.058 23.272 1.00 0.00 H new ATOM 609 N ASN A 38 68.290 -9.587 17.676 1.00 0.00 N ATOM 610 CA ASN A 38 69.241 -10.507 17.074 1.00 0.00 C ATOM 611 C ASN A 38 69.438 -11.708 17.968 1.00 0.00 C ATOM 612 O ASN A 38 69.640 -11.559 19.180 1.00 0.00 O ATOM 613 CB ASN A 38 70.615 -9.881 16.924 1.00 0.00 C ATOM 614 CG ASN A 38 70.620 -8.693 15.998 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.578 -7.828 16.131 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.748 -8.547 15.142 1.00 0.00 N flip ATOM 0 H ASN A 38 68.682 -8.979 18.395 1.00 0.00 H new ATOM 0 HA ASN A 38 68.831 -10.775 16.100 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.977 -9.572 17.905 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.311 -10.631 16.549 1.00 0.00 H new ATOM 0 HD21 ASN A 38 69.002 -9.237 15.051 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.771 -7.736 14.523 1.00 0.00 H new ATOM 623 N ASP A 39 69.449 -12.885 17.361 1.00 0.00 N ATOM 624 CA ASP A 39 69.690 -14.105 18.116 1.00 0.00 C ATOM 625 C ASP A 39 70.976 -13.940 18.919 1.00 0.00 C ATOM 626 O ASP A 39 71.312 -14.769 19.764 1.00 0.00 O ATOM 627 CB ASP A 39 69.820 -15.300 17.168 1.00 0.00 C ATOM 628 CG ASP A 39 70.227 -16.545 17.949 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.283 -17.083 17.659 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.478 -16.941 18.826 1.00 0.00 O ATOM 0 H ASP A 39 69.296 -13.021 16.362 1.00 0.00 H new ATOM 0 HA ASP A 39 68.852 -14.288 18.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.873 -15.474 16.658 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.562 -15.085 16.399 1.00 0.00 H new ATOM 635 N GLU A 40 71.682 -12.844 18.643 1.00 0.00 N ATOM 636 CA GLU A 40 72.929 -12.536 19.332 1.00 0.00 C ATOM 637 C GLU A 40 72.631 -12.035 20.735 1.00 0.00 C ATOM 638 O GLU A 40 73.487 -12.073 21.619 1.00 0.00 O ATOM 639 CB GLU A 40 73.670 -11.421 18.580 1.00 0.00 C ATOM 640 CG GLU A 40 74.511 -11.990 17.434 1.00 0.00 C ATOM 641 CD GLU A 40 75.363 -13.160 17.917 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.976 -14.291 17.671 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.389 -12.908 18.527 1.00 0.00 O ATOM 0 H GLU A 40 71.408 -12.154 17.944 1.00 0.00 H new ATOM 0 HA GLU A 40 73.538 -13.439 19.374 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.950 -10.704 18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.314 -10.878 19.272 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.858 -12.319 16.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 75.154 -11.210 17.026 1.00 0.00 H new ATOM 650 N GLY A 41 71.416 -11.542 20.917 1.00 0.00 N ATOM 651 CA GLY A 41 71.001 -11.003 22.200 1.00 0.00 C ATOM 652 C GLY A 41 70.665 -9.526 22.053 1.00 0.00 C ATOM 653 O GLY A 41 70.313 -8.861 23.027 1.00 0.00 O ATOM 0 H GLY A 41 70.700 -11.505 20.191 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.133 -11.548 22.570 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.796 -11.133 22.934 1.00 0.00 H new ATOM 657 N THR A 42 70.755 -9.019 20.820 1.00 0.00 N ATOM 658 CA THR A 42 70.428 -7.611 20.577 1.00 0.00 C ATOM 659 C THR A 42 68.917 -7.480 20.470 1.00 0.00 C ATOM 660 O THR A 42 68.260 -8.362 19.931 1.00 0.00 O ATOM 661 CB THR A 42 71.125 -7.084 19.302 1.00 0.00 C ATOM 662 OG1 THR A 42 72.070 -6.090 19.672 1.00 0.00 O ATOM 663 CG2 THR A 42 70.104 -6.467 18.333 1.00 0.00 C ATOM 0 H THR A 42 71.043 -9.545 19.995 1.00 0.00 H new ATOM 0 HA THR A 42 70.792 -7.004 21.406 1.00 0.00 H new ATOM 0 HB THR A 42 71.619 -7.918 18.803 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.519 -5.751 18.870 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.620 -6.104 17.444 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.373 -7.223 18.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.594 -5.637 18.822 1.00 0.00 H new ATOM 671 N GLU A 43 68.365 -6.393 21.000 1.00 0.00 N ATOM 672 CA GLU A 43 66.916 -6.200 20.966 1.00 0.00 C ATOM 673 C GLU A 43 66.538 -4.837 20.416 1.00 0.00 C ATOM 674 O GLU A 43 67.088 -3.815 20.826 1.00 0.00 O ATOM 675 CB GLU A 43 66.341 -6.359 22.375 1.00 0.00 C ATOM 676 CG GLU A 43 66.949 -7.597 23.037 1.00 0.00 C ATOM 677 CD GLU A 43 66.201 -7.922 24.325 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.648 -8.803 25.040 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.190 -7.286 24.576 1.00 0.00 O ATOM 0 H GLU A 43 68.887 -5.642 21.452 1.00 0.00 H new ATOM 0 HA GLU A 43 66.498 -6.956 20.302 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.558 -5.472 22.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.256 -6.454 22.328 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.900 -8.445 22.354 1.00 0.00 H new ATOM 0 HG3 GLU A 43 68.003 -7.423 23.253 1.00 0.00 H new ATOM 686 N ALA A 44 65.592 -4.829 19.475 1.00 0.00 N ATOM 687 CA ALA A 44 65.151 -3.586 18.870 1.00 0.00 C ATOM 688 C ALA A 44 63.633 -3.511 18.764 1.00 0.00 C ATOM 689 O ALA A 44 63.005 -4.333 18.098 1.00 0.00 O ATOM 690 CB ALA A 44 65.737 -3.469 17.468 1.00 0.00 C ATOM 0 H ALA A 44 65.125 -5.664 19.123 1.00 0.00 H new ATOM 0 HA ALA A 44 65.494 -2.772 19.508 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.407 -2.536 17.012 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.825 -3.479 17.527 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.399 -4.309 16.861 1.00 0.00 H new ATOM 696 N GLU A 45 63.057 -2.494 19.387 1.00 0.00 N ATOM 697 CA GLU A 45 61.619 -2.286 19.320 1.00 0.00 C ATOM 698 C GLU A 45 61.275 -1.591 18.005 1.00 0.00 C ATOM 699 O GLU A 45 61.712 -0.467 17.757 1.00 0.00 O ATOM 700 CB GLU A 45 61.156 -1.423 20.500 1.00 0.00 C ATOM 701 CG GLU A 45 60.036 -2.137 21.262 1.00 0.00 C ATOM 702 CD GLU A 45 59.669 -1.347 22.513 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.224 -1.641 23.559 1.00 0.00 O ATOM 704 OE2 GLU A 45 58.839 -0.459 22.406 1.00 0.00 O ATOM 0 H GLU A 45 63.561 -1.803 19.942 1.00 0.00 H new ATOM 0 HA GLU A 45 61.111 -3.249 19.370 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.994 -1.226 21.169 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.803 -0.457 20.139 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.161 -2.246 20.621 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.356 -3.142 21.538 1.00 0.00 H new ATOM 711 N ALA A 46 60.515 -2.275 17.162 1.00 0.00 N ATOM 712 CA ALA A 46 60.130 -1.733 15.860 1.00 0.00 C ATOM 713 C ALA A 46 59.578 -0.308 15.947 1.00 0.00 C ATOM 714 O ALA A 46 59.058 0.211 14.961 1.00 0.00 O ATOM 715 CB ALA A 46 59.062 -2.611 15.235 1.00 0.00 C ATOM 0 H ALA A 46 60.151 -3.208 17.354 1.00 0.00 H new ATOM 0 HA ALA A 46 61.036 -1.712 15.254 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.778 -2.204 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.451 -3.621 15.105 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.188 -2.640 15.886 1.00 0.00 H new ATOM 721 N ASN A 47 59.675 0.325 17.111 1.00 0.00 N ATOM 722 CA ASN A 47 59.165 1.686 17.261 1.00 0.00 C ATOM 723 C ASN A 47 60.305 2.648 17.586 1.00 0.00 C ATOM 724 O ASN A 47 60.077 3.770 18.039 1.00 0.00 O ATOM 725 CB ASN A 47 58.088 1.726 18.355 1.00 0.00 C ATOM 726 CG ASN A 47 58.655 2.288 19.658 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.752 1.913 20.072 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.966 3.169 20.331 1.00 0.00 N ATOM 0 H ASN A 47 60.094 -0.072 17.952 1.00 0.00 H new ATOM 0 HA ASN A 47 58.714 2.001 16.320 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.250 2.340 18.024 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.700 0.722 18.526 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.336 3.549 21.202 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.057 3.478 19.986 1.00 0.00 H new ATOM 735 N SER A 48 61.533 2.199 17.340 1.00 0.00 N ATOM 736 CA SER A 48 62.710 3.020 17.595 1.00 0.00 C ATOM 737 C SER A 48 63.743 2.825 16.482 1.00 0.00 C ATOM 738 O SER A 48 64.098 1.697 16.146 1.00 0.00 O ATOM 739 CB SER A 48 63.315 2.638 18.949 1.00 0.00 C ATOM 740 OG SER A 48 62.999 3.643 19.903 1.00 0.00 O ATOM 0 H SER A 48 61.737 1.273 16.965 1.00 0.00 H new ATOM 0 HA SER A 48 62.417 4.070 17.615 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.925 1.674 19.276 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.396 2.531 18.860 1.00 0.00 H new ATOM 0 HG SER A 48 63.383 3.402 20.772 1.00 0.00 H new ATOM 746 N VAL A 49 64.223 3.927 15.914 1.00 0.00 N ATOM 747 CA VAL A 49 65.215 3.846 14.846 1.00 0.00 C ATOM 748 C VAL A 49 66.515 3.273 15.389 1.00 0.00 C ATOM 749 O VAL A 49 67.188 2.490 14.719 1.00 0.00 O ATOM 750 CB VAL A 49 65.465 5.229 14.250 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.140 5.086 12.885 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.127 5.953 14.085 1.00 0.00 C ATOM 0 H VAL A 49 63.946 4.875 16.170 1.00 0.00 H new ATOM 0 HA VAL A 49 64.835 3.190 14.063 1.00 0.00 H new ATOM 0 HB VAL A 49 66.114 5.801 14.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.317 6.075 12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.090 4.565 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.494 4.516 12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.298 6.942 13.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.482 5.379 13.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.646 6.055 15.058 1.00 0.00 H new ATOM 762 N ILE A 50 66.847 3.640 16.623 1.00 0.00 N ATOM 763 CA ILE A 50 68.032 3.136 17.261 1.00 0.00 C ATOM 764 C ILE A 50 67.963 1.622 17.210 1.00 0.00 C ATOM 765 O ILE A 50 68.943 0.934 16.921 1.00 0.00 O ATOM 766 CB ILE A 50 68.030 3.662 18.701 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.341 4.390 18.996 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.815 2.531 19.697 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.503 3.392 19.033 1.00 0.00 C ATOM 0 H ILE A 50 66.302 4.287 17.193 1.00 0.00 H new ATOM 0 HA ILE A 50 68.952 3.458 16.773 1.00 0.00 H new ATOM 0 HB ILE A 50 67.203 4.364 18.807 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.525 5.146 18.233 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.269 4.911 19.950 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.818 2.933 20.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.857 2.050 19.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.616 1.799 19.595 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.432 3.922 19.244 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.322 2.652 19.813 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.583 2.890 18.069 1.00 0.00 H new ATOM 781 N ALA A 51 66.761 1.133 17.463 1.00 0.00 N ATOM 782 CA ALA A 51 66.479 -0.280 17.425 1.00 0.00 C ATOM 783 C ALA A 51 66.958 -0.848 16.094 1.00 0.00 C ATOM 784 O ALA A 51 67.779 -1.762 16.045 1.00 0.00 O ATOM 785 CB ALA A 51 64.963 -0.467 17.578 1.00 0.00 C ATOM 0 H ALA A 51 65.955 1.712 17.701 1.00 0.00 H new ATOM 0 HA ALA A 51 66.994 -0.804 18.230 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.723 -1.530 17.552 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.638 -0.045 18.529 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.450 0.041 16.761 1.00 0.00 H new ATOM 791 N LEU A 52 66.442 -0.278 15.016 1.00 0.00 N ATOM 792 CA LEU A 52 66.811 -0.702 13.682 1.00 0.00 C ATOM 793 C LEU A 52 68.316 -0.556 13.468 1.00 0.00 C ATOM 794 O LEU A 52 68.978 -1.468 12.967 1.00 0.00 O ATOM 795 CB LEU A 52 66.041 0.147 12.669 1.00 0.00 C ATOM 796 CG LEU A 52 64.532 -0.035 12.890 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.759 0.962 12.016 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.120 -1.473 12.530 1.00 0.00 C ATOM 0 H LEU A 52 65.763 0.483 15.044 1.00 0.00 H new ATOM 0 HA LEU A 52 66.558 -1.754 13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.311 1.197 12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.309 -0.147 11.654 1.00 0.00 H new ATOM 0 HG LEU A 52 64.298 0.149 13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.689 0.831 12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.044 1.979 12.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.995 0.785 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.049 -1.595 12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.356 -1.668 11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.663 -2.176 13.162 1.00 0.00 H new ATOM 810 N LEU A 53 68.851 0.590 13.862 1.00 0.00 N ATOM 811 CA LEU A 53 70.278 0.843 13.718 1.00 0.00 C ATOM 812 C LEU A 53 71.080 -0.150 14.558 1.00 0.00 C ATOM 813 O LEU A 53 72.166 -0.579 14.169 1.00 0.00 O ATOM 814 CB LEU A 53 70.588 2.275 14.171 1.00 0.00 C ATOM 815 CG LEU A 53 71.728 2.872 13.332 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.954 1.955 13.398 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.280 3.035 11.870 1.00 0.00 C ATOM 0 H LEU A 53 68.323 1.355 14.281 1.00 0.00 H new ATOM 0 HA LEU A 53 70.558 0.721 12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.696 2.894 14.075 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.865 2.277 15.225 1.00 0.00 H new ATOM 0 HG LEU A 53 71.987 3.851 13.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.760 2.382 12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.281 1.858 14.433 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.694 0.972 13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.096 3.459 11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.008 2.061 11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.418 3.700 11.826 1.00 0.00 H new ATOM 829 N MET A 54 70.536 -0.498 15.718 1.00 0.00 N ATOM 830 CA MET A 54 71.202 -1.429 16.627 1.00 0.00 C ATOM 831 C MET A 54 71.467 -2.780 15.964 1.00 0.00 C ATOM 832 O MET A 54 72.516 -3.386 16.182 1.00 0.00 O ATOM 833 CB MET A 54 70.340 -1.641 17.875 1.00 0.00 C ATOM 834 CG MET A 54 71.137 -2.413 18.931 1.00 0.00 C ATOM 835 SD MET A 54 72.243 -1.275 19.801 1.00 0.00 S ATOM 836 CE MET A 54 73.558 -2.466 20.160 1.00 0.00 C ATOM 0 H MET A 54 69.637 -0.151 16.053 1.00 0.00 H new ATOM 0 HA MET A 54 72.162 -0.991 16.901 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.023 -0.679 18.277 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.436 -2.191 17.615 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.458 -2.890 19.638 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.714 -3.208 18.458 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.361 -1.969 20.704 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.158 -3.278 20.766 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.949 -2.869 19.226 1.00 0.00 H new ATOM 846 N LEU A 55 70.516 -3.260 15.168 1.00 0.00 N ATOM 847 CA LEU A 55 70.681 -4.555 14.505 1.00 0.00 C ATOM 848 C LEU A 55 71.448 -4.396 13.199 1.00 0.00 C ATOM 849 O LEU A 55 71.820 -5.378 12.571 1.00 0.00 O ATOM 850 CB LEU A 55 69.327 -5.221 14.221 1.00 0.00 C ATOM 851 CG LEU A 55 68.240 -4.733 15.207 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.009 -4.262 14.416 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.828 -5.873 16.160 1.00 0.00 C ATOM 0 H LEU A 55 69.637 -2.784 14.967 1.00 0.00 H new ATOM 0 HA LEU A 55 71.246 -5.194 15.184 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.019 -5.001 13.199 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.429 -6.304 14.297 1.00 0.00 H new ATOM 0 HG LEU A 55 68.642 -3.908 15.795 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.241 -3.918 15.109 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.293 -3.444 13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.618 -5.090 13.824 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.062 -5.514 16.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.432 -6.707 15.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.698 -6.206 16.727 1.00 0.00 H new ATOM 865 N ASP A 56 71.667 -3.154 12.792 1.00 0.00 N ATOM 866 CA ASP A 56 72.379 -2.873 11.553 1.00 0.00 C ATOM 867 C ASP A 56 73.575 -3.797 11.428 1.00 0.00 C ATOM 868 O ASP A 56 73.927 -4.232 10.331 1.00 0.00 O ATOM 869 CB ASP A 56 72.849 -1.417 11.533 1.00 0.00 C ATOM 870 CG ASP A 56 73.582 -1.121 10.228 1.00 0.00 C ATOM 871 OD1 ASP A 56 74.798 -1.224 10.218 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.917 -0.796 9.259 1.00 0.00 O ATOM 0 H ASP A 56 71.362 -2.325 13.301 1.00 0.00 H new ATOM 0 HA ASP A 56 71.704 -3.039 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.994 -0.749 11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.508 -1.228 12.380 1.00 0.00 H new ATOM 877 N SER A 57 74.175 -4.122 12.563 1.00 0.00 N ATOM 878 CA SER A 57 75.304 -5.029 12.564 1.00 0.00 C ATOM 879 C SER A 57 74.801 -6.426 12.227 1.00 0.00 C ATOM 880 O SER A 57 75.572 -7.382 12.170 1.00 0.00 O ATOM 881 CB SER A 57 75.984 -5.026 13.937 1.00 0.00 C ATOM 882 OG SER A 57 77.037 -4.071 13.935 1.00 0.00 O ATOM 0 H SER A 57 73.901 -3.775 13.482 1.00 0.00 H new ATOM 0 HA SER A 57 76.037 -4.711 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.259 -4.784 14.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.376 -6.017 14.164 1.00 0.00 H new ATOM 0 HG SER A 57 77.474 -4.064 14.812 1.00 0.00 H new ATOM 888 N ALA A 58 73.487 -6.531 12.014 1.00 0.00 N ATOM 889 CA ALA A 58 72.873 -7.823 11.687 1.00 0.00 C ATOM 890 C ALA A 58 73.762 -8.621 10.731 1.00 0.00 C ATOM 891 O ALA A 58 73.884 -9.836 10.856 1.00 0.00 O ATOM 892 CB ALA A 58 71.488 -7.614 11.052 1.00 0.00 C ATOM 0 H ALA A 58 72.834 -5.749 12.061 1.00 0.00 H new ATOM 0 HA ALA A 58 72.761 -8.386 12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.046 -8.582 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 58 70.843 -7.082 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.591 -7.029 10.138 1.00 0.00 H new ATOM 898 N LYS A 59 74.365 -7.918 9.776 1.00 0.00 N ATOM 899 CA LYS A 59 75.247 -8.532 8.775 1.00 0.00 C ATOM 900 C LYS A 59 75.393 -10.050 8.959 1.00 0.00 C ATOM 901 O LYS A 59 76.437 -10.537 9.390 1.00 0.00 O ATOM 902 CB LYS A 59 76.631 -7.866 8.823 1.00 0.00 C ATOM 903 CG LYS A 59 77.407 -8.318 10.071 1.00 0.00 C ATOM 904 CD LYS A 59 78.145 -7.122 10.683 1.00 0.00 C ATOM 905 CE LYS A 59 79.086 -7.611 11.785 1.00 0.00 C ATOM 906 NZ LYS A 59 80.254 -8.302 11.168 1.00 0.00 N ATOM 0 H LYS A 59 74.259 -6.909 9.670 1.00 0.00 H new ATOM 0 HA LYS A 59 74.785 -8.372 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.195 -8.121 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.519 -6.782 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.721 -8.747 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.119 -9.099 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.711 -6.598 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.428 -6.410 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.425 -6.769 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.558 -8.291 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.039 -8.334 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.985 -9.271 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.555 -7.784 10.318 1.00 0.00 H new ATOM 920 N GLY A 60 74.348 -10.801 8.604 1.00 0.00 N ATOM 921 CA GLY A 60 74.397 -12.261 8.714 1.00 0.00 C ATOM 922 C GLY A 60 73.620 -12.773 9.922 1.00 0.00 C ATOM 923 O GLY A 60 72.807 -13.690 9.801 1.00 0.00 O ATOM 0 H GLY A 60 73.469 -10.429 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.989 -12.706 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.435 -12.584 8.789 1.00 0.00 H new ATOM 927 N ARG A 61 73.881 -12.186 11.084 1.00 0.00 N ATOM 928 CA ARG A 61 73.211 -12.586 12.311 1.00 0.00 C ATOM 929 C ARG A 61 71.757 -12.939 12.049 1.00 0.00 C ATOM 930 O ARG A 61 71.204 -12.601 11.007 1.00 0.00 O ATOM 931 CB ARG A 61 73.260 -11.441 13.319 1.00 0.00 C ATOM 932 CG ARG A 61 74.703 -10.975 13.503 1.00 0.00 C ATOM 933 CD ARG A 61 74.782 -10.004 14.687 1.00 0.00 C ATOM 934 NE ARG A 61 74.395 -8.659 14.281 1.00 0.00 N ATOM 935 CZ ARG A 61 74.066 -7.743 15.188 1.00 0.00 C ATOM 936 NH1 ARG A 61 73.692 -6.551 14.813 1.00 0.00 N ATOM 937 NH2 ARG A 61 74.117 -8.039 16.458 1.00 0.00 N ATOM 0 H ARG A 61 74.555 -11.429 11.200 1.00 0.00 H new ATOM 0 HA ARG A 61 73.725 -13.463 12.705 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.642 -10.613 12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.849 -11.767 14.274 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.353 -11.832 13.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.057 -10.487 12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.129 -10.348 15.489 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.797 -9.991 15.085 1.00 0.00 H new ATOM 0 HE ARG A 61 74.376 -8.417 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 61 73.651 -6.318 13.821 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.441 -5.852 15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.409 -8.971 16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 61 73.865 -7.339 17.155 1.00 0.00 H new ATOM 951 N GLN A 62 71.140 -13.600 13.017 1.00 0.00 N ATOM 952 CA GLN A 62 69.738 -13.973 12.902 1.00 0.00 C ATOM 953 C GLN A 62 68.900 -13.058 13.768 1.00 0.00 C ATOM 954 O GLN A 62 69.268 -12.751 14.901 1.00 0.00 O ATOM 955 CB GLN A 62 69.522 -15.424 13.337 1.00 0.00 C ATOM 956 CG GLN A 62 70.700 -16.265 12.861 1.00 0.00 C ATOM 957 CD GLN A 62 70.310 -17.739 12.816 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.707 -18.459 11.900 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.552 -18.232 13.757 1.00 0.00 N ATOM 0 H GLN A 62 71.586 -13.888 13.888 1.00 0.00 H new ATOM 0 HA GLN A 62 69.439 -13.876 11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.432 -15.482 14.422 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.592 -15.808 12.918 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.016 -15.934 11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.549 -16.126 13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.225 -17.633 14.515 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.287 -19.217 13.735 1.00 0.00 H new ATOM 968 N ILE A 63 67.772 -12.629 13.235 1.00 0.00 N ATOM 969 CA ILE A 63 66.888 -11.755 13.968 1.00 0.00 C ATOM 970 C ILE A 63 65.715 -12.540 14.485 1.00 0.00 C ATOM 971 O ILE A 63 65.257 -13.483 13.851 1.00 0.00 O ATOM 972 CB ILE A 63 66.372 -10.650 13.060 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.627 -9.603 13.888 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.409 -11.251 12.042 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.599 -8.533 14.374 1.00 0.00 C ATOM 0 H ILE A 63 67.450 -12.873 12.298 1.00 0.00 H new ATOM 0 HA ILE A 63 67.442 -11.317 14.799 1.00 0.00 H new ATOM 0 HB ILE A 63 67.213 -10.179 12.551 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.840 -9.146 13.288 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.142 -10.079 14.740 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.034 -10.464 11.387 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.930 -12.001 11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.573 -11.718 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.059 -7.791 14.963 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.370 -8.995 14.991 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.064 -8.047 13.516 1.00 0.00 H new ATOM 987 N GLU A 64 65.223 -12.112 15.622 1.00 0.00 N ATOM 988 CA GLU A 64 64.073 -12.732 16.239 1.00 0.00 C ATOM 989 C GLU A 64 62.968 -11.702 16.276 1.00 0.00 C ATOM 990 O GLU A 64 63.015 -10.753 17.055 1.00 0.00 O ATOM 991 CB GLU A 64 64.432 -13.221 17.649 1.00 0.00 C ATOM 992 CG GLU A 64 64.038 -14.690 17.816 1.00 0.00 C ATOM 993 CD GLU A 64 62.521 -14.835 17.784 1.00 0.00 C ATOM 994 OE1 GLU A 64 62.055 -15.895 17.401 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.846 -13.883 18.143 1.00 0.00 O ATOM 0 H GLU A 64 65.607 -11.326 16.146 1.00 0.00 H new ATOM 0 HA GLU A 64 63.745 -13.603 15.672 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.502 -13.102 17.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.919 -12.613 18.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.484 -15.287 17.020 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.427 -15.074 18.759 1.00 0.00 H new ATOM 1002 N VAL A 65 61.991 -11.857 15.401 1.00 0.00 N ATOM 1003 CA VAL A 65 60.919 -10.899 15.342 1.00 0.00 C ATOM 1004 C VAL A 65 59.838 -11.259 16.323 1.00 0.00 C ATOM 1005 O VAL A 65 59.518 -12.430 16.482 1.00 0.00 O ATOM 1006 CB VAL A 65 60.321 -10.888 13.937 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.517 -12.171 13.705 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.399 -9.679 13.797 1.00 0.00 C ATOM 0 H VAL A 65 61.923 -12.626 14.734 1.00 0.00 H new ATOM 0 HA VAL A 65 61.319 -9.916 15.590 1.00 0.00 H new ATOM 0 HB VAL A 65 61.123 -10.830 13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.093 -12.158 12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.173 -13.035 13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.713 -12.234 14.438 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.968 -9.664 12.796 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.600 -9.744 14.535 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.970 -8.765 13.960 1.00 0.00 H new ATOM 1018 N GLU A 66 59.249 -10.258 16.951 1.00 0.00 N ATOM 1019 CA GLU A 66 58.156 -10.523 17.857 1.00 0.00 C ATOM 1020 C GLU A 66 57.122 -9.403 17.771 1.00 0.00 C ATOM 1021 O GLU A 66 57.410 -8.267 18.138 1.00 0.00 O ATOM 1022 CB GLU A 66 58.643 -10.660 19.298 1.00 0.00 C ATOM 1023 CG GLU A 66 57.431 -10.645 20.234 1.00 0.00 C ATOM 1024 CD GLU A 66 57.820 -11.185 21.606 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.825 -10.408 22.546 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.108 -12.367 21.695 1.00 0.00 O ATOM 0 H GLU A 66 59.504 -9.276 16.852 1.00 0.00 H new ATOM 0 HA GLU A 66 57.701 -11.468 17.560 1.00 0.00 H new ATOM 0 HB2 GLU A 66 59.202 -11.587 19.420 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.321 -9.844 19.546 1.00 0.00 H new ATOM 0 HG2 GLU A 66 57.049 -9.629 20.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.628 -11.249 19.811 1.00 0.00 H new ATOM 1033 N ALA A 67 55.911 -9.721 17.309 1.00 0.00 N ATOM 1034 CA ALA A 67 54.862 -8.704 17.215 1.00 0.00 C ATOM 1035 C ALA A 67 53.741 -9.034 18.185 1.00 0.00 C ATOM 1036 O ALA A 67 53.556 -10.193 18.552 1.00 0.00 O ATOM 1037 CB ALA A 67 54.339 -8.593 15.778 1.00 0.00 C ATOM 0 H ALA A 67 55.636 -10.653 17.000 1.00 0.00 H new ATOM 0 HA ALA A 67 55.281 -7.735 17.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.560 -7.832 15.732 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.157 -8.316 15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.927 -9.553 15.466 1.00 0.00 H new ATOM 1043 N THR A 68 53.020 -8.009 18.638 1.00 0.00 N ATOM 1044 CA THR A 68 51.957 -8.229 19.601 1.00 0.00 C ATOM 1045 C THR A 68 50.871 -7.151 19.527 1.00 0.00 C ATOM 1046 O THR A 68 51.063 -6.027 19.992 1.00 0.00 O ATOM 1047 CB THR A 68 52.552 -8.220 21.005 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.611 -9.163 21.081 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.466 -8.578 22.009 1.00 0.00 C ATOM 0 H THR A 68 53.153 -7.038 18.357 1.00 0.00 H new ATOM 0 HA THR A 68 51.496 -9.189 19.368 1.00 0.00 H new ATOM 0 HB THR A 68 52.944 -7.229 21.232 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.993 -9.154 21.984 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.885 -8.573 23.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.659 -7.847 21.948 1.00 0.00 H new ATOM 0 HG23 THR A 68 51.075 -9.570 21.783 1.00 0.00 H new ATOM 1057 N GLY A 69 49.726 -7.514 18.967 1.00 0.00 N ATOM 1058 CA GLY A 69 48.594 -6.600 18.858 1.00 0.00 C ATOM 1059 C GLY A 69 47.574 -7.118 17.850 1.00 0.00 C ATOM 1060 O GLY A 69 47.823 -8.078 17.131 1.00 0.00 O ATOM 0 H GLY A 69 49.554 -8.441 18.578 1.00 0.00 H new ATOM 0 HA2 GLY A 69 48.121 -6.482 19.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.945 -5.614 18.553 1.00 0.00 H new ATOM 1064 N PRO A 70 46.436 -6.502 17.786 1.00 0.00 N ATOM 1065 CA PRO A 70 45.359 -6.907 16.849 1.00 0.00 C ATOM 1066 C PRO A 70 45.896 -7.384 15.507 1.00 0.00 C ATOM 1067 O PRO A 70 45.457 -8.402 14.972 1.00 0.00 O ATOM 1068 CB PRO A 70 44.573 -5.617 16.680 1.00 0.00 C ATOM 1069 CG PRO A 70 44.680 -4.934 18.005 1.00 0.00 C ATOM 1070 CD PRO A 70 46.039 -5.339 18.595 1.00 0.00 C ATOM 0 HA PRO A 70 44.775 -7.747 17.225 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.988 -5.001 15.882 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.534 -5.817 16.420 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.614 -3.852 17.890 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.866 -5.235 18.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.766 -4.531 18.518 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.957 -5.595 19.651 1.00 0.00 H new ATOM 1078 N GLN A 71 46.825 -6.615 14.959 1.00 0.00 N ATOM 1079 CA GLN A 71 47.404 -6.933 13.652 1.00 0.00 C ATOM 1080 C GLN A 71 48.921 -7.160 13.720 1.00 0.00 C ATOM 1081 O GLN A 71 49.668 -6.630 12.904 1.00 0.00 O ATOM 1082 CB GLN A 71 47.092 -5.790 12.679 1.00 0.00 C ATOM 1083 CG GLN A 71 45.633 -5.894 12.202 1.00 0.00 C ATOM 1084 CD GLN A 71 44.991 -4.509 12.166 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.505 -3.581 11.407 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 43.995 -4.269 12.847 1.00 0.00 N flip ATOM 0 H GLN A 71 47.196 -5.769 15.392 1.00 0.00 H new ATOM 0 HA GLN A 71 46.959 -7.866 13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.257 -4.830 13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.767 -5.833 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.598 -6.345 11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.070 -6.547 12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 71 43.595 -4.996 13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.569 -3.343 12.819 1.00 0.00 H new ATOM 1095 N GLU A 72 49.360 -7.960 14.684 1.00 0.00 N ATOM 1096 CA GLU A 72 50.785 -8.271 14.846 1.00 0.00 C ATOM 1097 C GLU A 72 51.227 -9.355 13.888 1.00 0.00 C ATOM 1098 O GLU A 72 52.414 -9.494 13.608 1.00 0.00 O ATOM 1099 CB GLU A 72 51.047 -8.775 16.274 1.00 0.00 C ATOM 1100 CG GLU A 72 49.900 -9.694 16.699 1.00 0.00 C ATOM 1101 CD GLU A 72 50.377 -10.742 17.698 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.534 -11.417 18.265 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.574 -10.856 17.880 1.00 0.00 O ATOM 0 H GLU A 72 48.752 -8.409 15.370 1.00 0.00 H new ATOM 0 HA GLU A 72 51.343 -7.357 14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.994 -9.312 16.315 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.128 -7.933 16.961 1.00 0.00 H new ATOM 0 HG2 GLU A 72 49.101 -9.101 17.143 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.481 -10.187 15.822 1.00 0.00 H new ATOM 1110 N GLU A 73 50.287 -10.146 13.419 1.00 0.00 N ATOM 1111 CA GLU A 73 50.630 -11.240 12.529 1.00 0.00 C ATOM 1112 C GLU A 73 50.712 -10.795 11.094 1.00 0.00 C ATOM 1113 O GLU A 73 51.410 -11.411 10.306 1.00 0.00 O ATOM 1114 CB GLU A 73 49.612 -12.374 12.656 1.00 0.00 C ATOM 1115 CG GLU A 73 49.565 -12.842 14.113 1.00 0.00 C ATOM 1116 CD GLU A 73 49.439 -14.364 14.197 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.438 -15.003 13.158 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.342 -14.867 15.305 1.00 0.00 O ATOM 0 H GLU A 73 49.294 -10.057 13.633 1.00 0.00 H new ATOM 0 HA GLU A 73 51.615 -11.598 12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.627 -12.033 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.888 -13.202 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.468 -12.519 14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.721 -12.375 14.621 1.00 0.00 H new ATOM 1125 N GLU A 74 50.021 -9.728 10.751 1.00 0.00 N ATOM 1126 CA GLU A 74 50.082 -9.245 9.384 1.00 0.00 C ATOM 1127 C GLU A 74 51.248 -8.265 9.269 1.00 0.00 C ATOM 1128 O GLU A 74 51.955 -8.225 8.261 1.00 0.00 O ATOM 1129 CB GLU A 74 48.750 -8.598 8.981 1.00 0.00 C ATOM 1130 CG GLU A 74 48.153 -7.834 10.169 1.00 0.00 C ATOM 1131 CD GLU A 74 47.095 -8.689 10.862 1.00 0.00 C ATOM 1132 OE1 GLU A 74 47.466 -9.484 11.709 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.930 -8.536 10.533 1.00 0.00 O ATOM 0 H GLU A 74 49.425 -9.189 11.379 1.00 0.00 H new ATOM 0 HA GLU A 74 50.249 -10.075 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 74 48.906 -7.918 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.052 -9.364 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.940 -7.572 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.709 -6.900 9.825 1.00 0.00 H new ATOM 1140 N ALA A 75 51.437 -7.485 10.333 1.00 0.00 N ATOM 1141 CA ALA A 75 52.511 -6.495 10.403 1.00 0.00 C ATOM 1142 C ALA A 75 53.862 -7.177 10.284 1.00 0.00 C ATOM 1143 O ALA A 75 54.656 -6.845 9.409 1.00 0.00 O ATOM 1144 CB ALA A 75 52.432 -5.717 11.741 1.00 0.00 C ATOM 0 H ALA A 75 50.852 -7.521 11.168 1.00 0.00 H new ATOM 0 HA ALA A 75 52.394 -5.795 9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.236 -4.982 11.783 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.471 -5.207 11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.533 -6.413 12.573 1.00 0.00 H new ATOM 1150 N LEU A 76 54.105 -8.134 11.167 1.00 0.00 N ATOM 1151 CA LEU A 76 55.352 -8.873 11.167 1.00 0.00 C ATOM 1152 C LEU A 76 55.423 -9.751 9.923 1.00 0.00 C ATOM 1153 O LEU A 76 56.492 -9.969 9.356 1.00 0.00 O ATOM 1154 CB LEU A 76 55.379 -9.701 12.453 1.00 0.00 C ATOM 1155 CG LEU A 76 55.982 -11.089 12.229 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.394 -11.658 13.583 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.942 -12.027 11.585 1.00 0.00 C ATOM 0 H LEU A 76 53.449 -8.416 11.895 1.00 0.00 H new ATOM 0 HA LEU A 76 56.218 -8.212 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.957 -9.173 13.212 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.365 -9.804 12.839 1.00 0.00 H new ATOM 0 HG LEU A 76 56.843 -11.009 11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.827 -12.649 13.445 1.00 0.00 H new ATOM 0 HD12 LEU A 76 57.131 -11.001 14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.519 -11.731 14.228 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.385 -13.011 11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.077 -12.117 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.627 -11.617 10.625 1.00 0.00 H new ATOM 1169 N ALA A 77 54.266 -10.235 9.503 1.00 0.00 N ATOM 1170 CA ALA A 77 54.172 -11.079 8.318 1.00 0.00 C ATOM 1171 C ALA A 77 54.495 -10.286 7.058 1.00 0.00 C ATOM 1172 O ALA A 77 54.933 -10.847 6.054 1.00 0.00 O ATOM 1173 CB ALA A 77 52.753 -11.613 8.200 1.00 0.00 C ATOM 0 H ALA A 77 53.374 -10.058 9.965 1.00 0.00 H new ATOM 0 HA ALA A 77 54.888 -11.895 8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.675 -12.245 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.509 -12.198 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.057 -10.779 8.113 1.00 0.00 H new ATOM 1179 N ALA A 78 54.270 -8.979 7.117 1.00 0.00 N ATOM 1180 CA ALA A 78 54.535 -8.124 5.968 1.00 0.00 C ATOM 1181 C ALA A 78 56.032 -7.887 5.856 1.00 0.00 C ATOM 1182 O ALA A 78 56.620 -7.954 4.771 1.00 0.00 O ATOM 1183 CB ALA A 78 53.793 -6.790 6.124 1.00 0.00 C ATOM 0 H ALA A 78 53.909 -8.493 7.938 1.00 0.00 H new ATOM 0 HA ALA A 78 54.180 -8.611 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 78 53.997 -6.157 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 78 52.721 -6.976 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.133 -6.288 7.030 1.00 0.00 H new ATOM 1189 N VAL A 79 56.649 -7.647 6.999 1.00 0.00 N ATOM 1190 CA VAL A 79 58.076 -7.432 7.046 1.00 0.00 C ATOM 1191 C VAL A 79 58.782 -8.722 6.690 1.00 0.00 C ATOM 1192 O VAL A 79 59.736 -8.731 5.923 1.00 0.00 O ATOM 1193 CB VAL A 79 58.484 -6.993 8.455 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.240 -6.619 9.249 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.196 -8.142 9.165 1.00 0.00 C ATOM 0 H VAL A 79 56.181 -7.597 7.904 1.00 0.00 H new ATOM 0 HA VAL A 79 58.354 -6.654 6.336 1.00 0.00 H new ATOM 0 HB VAL A 79 59.152 -6.134 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.529 -6.306 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 79 56.722 -5.801 8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.577 -7.482 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.485 -7.827 10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.526 -8.999 9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.086 -8.422 8.602 1.00 0.00 H new ATOM 1205 N ILE A 80 58.300 -9.809 7.277 1.00 0.00 N ATOM 1206 CA ILE A 80 58.876 -11.112 7.044 1.00 0.00 C ATOM 1207 C ILE A 80 59.047 -11.325 5.577 1.00 0.00 C ATOM 1208 O ILE A 80 60.158 -11.508 5.094 1.00 0.00 O ATOM 1209 CB ILE A 80 57.981 -12.165 7.662 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.203 -12.091 9.177 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.327 -13.558 7.110 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.050 -13.265 9.655 1.00 0.00 C ATOM 0 H ILE A 80 57.508 -9.806 7.920 1.00 0.00 H new ATOM 0 HA ILE A 80 59.859 -11.184 7.508 1.00 0.00 H new ATOM 0 HB ILE A 80 56.933 -11.988 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 80 58.696 -11.153 9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.242 -12.096 9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.674 -14.302 7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.188 -13.566 6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.365 -13.795 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.196 -13.193 10.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.542 -14.200 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.019 -13.242 9.156 1.00 0.00 H new ATOM 1224 N ALA A 81 57.957 -11.242 4.856 1.00 0.00 N ATOM 1225 CA ALA A 81 58.051 -11.372 3.428 1.00 0.00 C ATOM 1226 C ALA A 81 59.187 -10.496 2.969 1.00 0.00 C ATOM 1227 O ALA A 81 59.813 -10.750 1.940 1.00 0.00 O ATOM 1228 CB ALA A 81 56.776 -10.906 2.766 1.00 0.00 C ATOM 0 H ALA A 81 57.018 -11.089 5.224 1.00 0.00 H new ATOM 0 HA ALA A 81 58.216 -12.416 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 81 56.867 -11.012 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 81 55.940 -11.509 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.599 -9.859 3.014 1.00 0.00 H new ATOM 1234 N LEU A 82 59.474 -9.466 3.770 1.00 0.00 N ATOM 1235 CA LEU A 82 60.561 -8.584 3.451 1.00 0.00 C ATOM 1236 C LEU A 82 61.821 -9.096 4.128 1.00 0.00 C ATOM 1237 O LEU A 82 62.902 -9.090 3.538 1.00 0.00 O ATOM 1238 CB LEU A 82 60.226 -7.162 3.899 1.00 0.00 C ATOM 1239 CG LEU A 82 60.400 -6.182 2.725 1.00 0.00 C ATOM 1240 CD1 LEU A 82 61.739 -6.436 2.009 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.246 -6.376 1.732 1.00 0.00 C ATOM 0 H LEU A 82 58.969 -9.238 4.626 1.00 0.00 H new ATOM 0 HA LEU A 82 60.726 -8.561 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.201 -7.121 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 82 60.875 -6.871 4.725 1.00 0.00 H new ATOM 0 HG LEU A 82 60.395 -5.162 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 61.848 -5.735 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.560 -6.297 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 82 61.759 -7.456 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 82 59.364 -5.684 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 82 59.256 -7.400 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 82 58.298 -6.182 2.233 1.00 0.00 H new ATOM 1253 N PHE A 83 61.671 -9.580 5.359 1.00 0.00 N ATOM 1254 CA PHE A 83 62.806 -10.131 6.066 1.00 0.00 C ATOM 1255 C PHE A 83 63.242 -11.384 5.334 1.00 0.00 C ATOM 1256 O PHE A 83 64.424 -11.723 5.280 1.00 0.00 O ATOM 1257 CB PHE A 83 62.464 -10.472 7.515 1.00 0.00 C ATOM 1258 CG PHE A 83 62.618 -9.274 8.417 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.933 -9.487 9.761 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.455 -7.968 7.931 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.094 -8.408 10.623 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.614 -6.884 8.803 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.935 -7.111 10.148 1.00 0.00 C ATOM 0 H PHE A 83 60.790 -9.599 5.873 1.00 0.00 H new ATOM 0 HA PHE A 83 63.605 -9.390 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.440 -10.841 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.112 -11.276 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.052 -10.494 10.132 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.209 -7.800 6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.342 -8.577 11.660 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.489 -5.875 8.440 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.060 -6.274 10.819 1.00 0.00 H new ATOM 1273 N ASN A 84 62.255 -12.049 4.750 1.00 0.00 N ATOM 1274 CA ASN A 84 62.487 -13.253 3.984 1.00 0.00 C ATOM 1275 C ASN A 84 62.926 -12.861 2.597 1.00 0.00 C ATOM 1276 O ASN A 84 63.474 -13.657 1.834 1.00 0.00 O ATOM 1277 CB ASN A 84 61.189 -14.057 3.910 1.00 0.00 C ATOM 1278 CG ASN A 84 61.461 -15.543 4.126 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.284 -16.133 3.426 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.814 -16.185 5.060 1.00 0.00 N ATOM 0 H ASN A 84 61.276 -11.766 4.797 1.00 0.00 H new ATOM 0 HA ASN A 84 63.258 -13.862 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.489 -13.697 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.717 -13.906 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.990 -17.178 5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.133 -15.693 5.638 1.00 0.00 H new ATOM 1287 N SER A 85 62.666 -11.612 2.301 1.00 0.00 N ATOM 1288 CA SER A 85 63.019 -11.050 0.999 1.00 0.00 C ATOM 1289 C SER A 85 62.556 -9.603 0.881 1.00 0.00 C ATOM 1290 O SER A 85 63.305 -8.728 1.282 1.00 0.00 O ATOM 1291 CB SER A 85 62.380 -11.880 -0.114 1.00 0.00 C ATOM 1292 OG SER A 85 62.335 -11.109 -1.307 1.00 0.00 O ATOM 1293 OXT SER A 85 61.463 -9.391 0.382 1.00 0.00 O ATOM 0 H SER A 85 62.211 -10.956 2.937 1.00 0.00 H new ATOM 0 HA SER A 85 64.104 -11.075 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.953 -12.792 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 85 61.374 -12.184 0.175 1.00 0.00 H new ATOM 0 HG SER A 85 61.711 -10.363 -1.191 1.00 0.00 H new