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 28:sc= 0.806 USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= -1.11 (180deg=-3.45!) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.9! C(o=-3.8!,f=-2.9!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 21 MET CE :methyl -115:sc= -0.879 (180deg=-5.54!) USER MOD Single : A 22 LYS NZ :NH3+ -111:sc= -0.216 (180deg=-1.06) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.51 F(o=-3.8!,f=-1.5) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.011) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 71 GLN :FLIP amide:sc= 0.746 F(o=-0.48,f=0.75) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 85 SER OG : rot -62:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.457 -13.068 18.832 1.00 0.00 N ATOM 21 CA THR A 2 50.849 -12.642 18.732 1.00 0.00 C ATOM 22 C THR A 2 51.550 -13.360 17.586 1.00 0.00 C ATOM 23 O THR A 2 51.231 -14.509 17.281 1.00 0.00 O ATOM 24 CB THR A 2 51.591 -12.961 20.038 1.00 0.00 C ATOM 25 OG1 THR A 2 50.656 -13.386 21.020 1.00 0.00 O ATOM 26 CG2 THR A 2 52.327 -11.718 20.538 1.00 0.00 C ATOM 0 HA THR A 2 50.861 -11.568 18.548 1.00 0.00 H new ATOM 0 HB THR A 2 52.316 -13.754 19.854 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.885 -13.801 20.580 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.850 -11.953 21.465 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.047 -11.395 19.786 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.609 -10.918 20.720 1.00 0.00 H new ATOM 34 N VAL A 3 52.535 -12.701 16.978 1.00 0.00 N ATOM 35 CA VAL A 3 53.287 -13.310 15.918 1.00 0.00 C ATOM 36 C VAL A 3 54.723 -12.965 16.094 1.00 0.00 C ATOM 37 O VAL A 3 55.082 -11.822 16.368 1.00 0.00 O ATOM 38 CB VAL A 3 52.841 -12.834 14.565 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.691 -13.704 14.098 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.407 -11.371 14.653 1.00 0.00 C ATOM 0 H VAL A 3 52.819 -11.749 17.211 1.00 0.00 H new ATOM 0 HA VAL A 3 53.127 -14.387 15.967 1.00 0.00 H new ATOM 0 HB VAL A 3 53.661 -12.907 13.850 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.357 -13.369 13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.021 -14.741 14.035 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.866 -13.629 14.807 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.084 -11.028 13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.582 -11.278 15.359 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.245 -10.763 14.992 1.00 0.00 H new ATOM 50 N LYS A 4 55.527 -13.970 15.960 1.00 0.00 N ATOM 51 CA LYS A 4 56.927 -13.819 16.119 1.00 0.00 C ATOM 52 C LYS A 4 57.661 -14.871 15.343 1.00 0.00 C ATOM 53 O LYS A 4 57.270 -16.038 15.321 1.00 0.00 O ATOM 54 CB LYS A 4 57.294 -13.889 17.580 1.00 0.00 C ATOM 55 CG LYS A 4 56.996 -15.280 18.156 1.00 0.00 C ATOM 56 CD LYS A 4 55.566 -15.761 17.827 1.00 0.00 C ATOM 57 CE LYS A 4 54.502 -14.770 18.342 1.00 0.00 C ATOM 58 NZ LYS A 4 54.393 -14.894 19.823 1.00 0.00 N ATOM 0 H LYS A 4 55.225 -14.918 15.737 1.00 0.00 H new ATOM 0 HA LYS A 4 57.218 -12.843 15.732 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.352 -13.659 17.704 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.737 -13.135 18.135 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.717 -15.996 17.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.129 -15.258 19.238 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.461 -15.881 16.749 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.399 -16.741 18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.775 -13.751 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 4 53.539 -14.977 17.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.334 -13.946 20.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.538 -15.435 20.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.231 -15.387 20.193 1.00 0.00 H new ATOM 72 N GLN A 5 58.706 -14.445 14.676 1.00 0.00 N ATOM 73 CA GLN A 5 59.466 -15.359 13.855 1.00 0.00 C ATOM 74 C GLN A 5 60.948 -15.025 13.862 1.00 0.00 C ATOM 75 O GLN A 5 61.350 -13.882 14.054 1.00 0.00 O ATOM 76 CB GLN A 5 58.931 -15.271 12.440 1.00 0.00 C ATOM 77 CG GLN A 5 57.406 -15.120 12.489 1.00 0.00 C ATOM 78 CD GLN A 5 56.829 -15.171 11.077 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.587 -15.554 10.086 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.658 -14.853 10.873 1.00 0.00 N flip ATOM 0 H GLN A 5 59.047 -13.484 14.684 1.00 0.00 H new ATOM 0 HA GLN A 5 59.359 -16.367 14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.377 -14.422 11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.203 -16.165 11.879 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.973 -15.915 13.096 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.141 -14.176 12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.068 -14.554 11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.277 -14.888 9.927 1.00 0.00 H new ATOM 89 N THR A 6 61.750 -16.038 13.642 1.00 0.00 N ATOM 90 CA THR A 6 63.178 -15.879 13.606 1.00 0.00 C ATOM 91 C THR A 6 63.668 -15.891 12.168 1.00 0.00 C ATOM 92 O THR A 6 63.684 -16.937 11.520 1.00 0.00 O ATOM 93 CB THR A 6 63.834 -17.010 14.388 1.00 0.00 C ATOM 94 OG1 THR A 6 63.069 -17.287 15.553 1.00 0.00 O ATOM 95 CG2 THR A 6 65.235 -16.585 14.785 1.00 0.00 C ATOM 0 H THR A 6 61.429 -16.993 13.483 1.00 0.00 H new ATOM 0 HA THR A 6 63.445 -14.924 14.059 1.00 0.00 H new ATOM 0 HB THR A 6 63.883 -17.908 13.772 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.490 -18.016 16.055 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.714 -17.388 15.346 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.818 -16.370 13.889 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.182 -15.691 15.406 1.00 0.00 H new ATOM 103 N VAL A 7 64.064 -14.725 11.667 1.00 0.00 N ATOM 104 CA VAL A 7 64.545 -14.642 10.290 1.00 0.00 C ATOM 105 C VAL A 7 66.071 -14.683 10.242 1.00 0.00 C ATOM 106 O VAL A 7 66.743 -13.784 10.744 1.00 0.00 O ATOM 107 CB VAL A 7 64.061 -13.337 9.625 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.946 -13.525 8.099 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.697 -12.928 10.203 1.00 0.00 C ATOM 0 H VAL A 7 64.063 -13.843 12.179 1.00 0.00 H new ATOM 0 HA VAL A 7 64.144 -15.500 9.750 1.00 0.00 H new ATOM 0 HB VAL A 7 64.788 -12.551 9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.603 -12.596 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.921 -13.792 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.232 -14.320 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.362 -12.006 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.970 -13.718 10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.790 -12.770 11.277 1.00 0.00 H new ATOM 119 N GLU A 8 66.616 -15.712 9.602 1.00 0.00 N ATOM 120 CA GLU A 8 68.061 -15.819 9.470 1.00 0.00 C ATOM 121 C GLU A 8 68.522 -14.756 8.486 1.00 0.00 C ATOM 122 O GLU A 8 67.950 -14.623 7.404 1.00 0.00 O ATOM 123 CB GLU A 8 68.447 -17.214 8.976 1.00 0.00 C ATOM 124 CG GLU A 8 67.709 -18.270 9.809 1.00 0.00 C ATOM 125 CD GLU A 8 66.321 -18.521 9.227 1.00 0.00 C ATOM 126 OE1 GLU A 8 65.392 -17.854 9.652 1.00 0.00 O ATOM 127 OE2 GLU A 8 66.208 -19.377 8.366 1.00 0.00 O ATOM 0 H GLU A 8 66.087 -16.472 9.173 1.00 0.00 H new ATOM 0 HA GLU A 8 68.542 -15.666 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.192 -17.322 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.524 -17.356 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.280 -19.198 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.623 -17.934 10.842 1.00 0.00 H new ATOM 134 N ILE A 9 69.516 -13.962 8.869 1.00 0.00 N ATOM 135 CA ILE A 9 69.963 -12.885 7.994 1.00 0.00 C ATOM 136 C ILE A 9 71.122 -13.291 7.104 1.00 0.00 C ATOM 137 O ILE A 9 72.035 -14.003 7.523 1.00 0.00 O ATOM 138 CB ILE A 9 70.414 -11.665 8.814 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.701 -11.619 10.164 1.00 0.00 C ATOM 140 CG2 ILE A 9 70.111 -10.383 8.044 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.363 -10.894 10.029 1.00 0.00 C ATOM 0 H ILE A 9 70.016 -14.039 9.755 1.00 0.00 H new ATOM 0 HA ILE A 9 69.104 -12.641 7.369 1.00 0.00 H new ATOM 0 HB ILE A 9 71.487 -11.751 8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.539 -12.632 10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.327 -11.110 10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.433 -9.522 8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.644 -10.395 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.039 -10.315 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.864 -10.868 10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.535 -9.875 9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.734 -11.421 9.311 1.00 0.00 H new ATOM 311 N ALA A 20 62.651 -1.222 7.631 1.00 0.00 N ATOM 312 CA ALA A 20 62.573 -1.462 9.068 1.00 0.00 C ATOM 313 C ALA A 20 61.842 -0.311 9.732 1.00 0.00 C ATOM 314 O ALA A 20 61.136 -0.490 10.722 1.00 0.00 O ATOM 315 CB ALA A 20 63.983 -1.585 9.653 1.00 0.00 C ATOM 0 HA ALA A 20 62.031 -2.390 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.917 -1.764 10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.503 -2.417 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.534 -0.662 9.472 1.00 0.00 H new ATOM 321 N MET A 21 62.023 0.873 9.171 1.00 0.00 N ATOM 322 CA MET A 21 61.383 2.059 9.697 1.00 0.00 C ATOM 323 C MET A 21 59.950 2.148 9.187 1.00 0.00 C ATOM 324 O MET A 21 59.158 2.960 9.665 1.00 0.00 O ATOM 325 CB MET A 21 62.194 3.286 9.298 1.00 0.00 C ATOM 326 CG MET A 21 63.606 3.144 9.880 1.00 0.00 C ATOM 327 SD MET A 21 64.695 4.386 9.138 1.00 0.00 S ATOM 328 CE MET A 21 66.176 4.029 10.119 1.00 0.00 C ATOM 0 H MET A 21 62.608 1.035 8.352 1.00 0.00 H new ATOM 0 HA MET A 21 61.344 2.009 10.785 1.00 0.00 H new ATOM 0 HB2 MET A 21 62.238 3.375 8.213 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.719 4.193 9.673 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.579 3.269 10.962 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.992 2.144 9.685 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.416 4.890 10.743 1.00 0.00 H new ATOM 0 HE2 MET A 21 65.992 3.162 10.753 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.013 3.820 9.452 1.00 0.00 H new ATOM 338 N LYS A 22 59.615 1.281 8.232 1.00 0.00 N ATOM 339 CA LYS A 22 58.262 1.246 7.691 1.00 0.00 C ATOM 340 C LYS A 22 57.357 0.523 8.682 1.00 0.00 C ATOM 341 O LYS A 22 56.217 0.918 8.900 1.00 0.00 O ATOM 342 CB LYS A 22 58.253 0.554 6.315 1.00 0.00 C ATOM 343 CG LYS A 22 57.703 -0.877 6.418 1.00 0.00 C ATOM 344 CD LYS A 22 57.993 -1.630 5.115 1.00 0.00 C ATOM 345 CE LYS A 22 56.947 -2.728 4.910 1.00 0.00 C ATOM 346 NZ LYS A 22 55.604 -2.107 4.731 1.00 0.00 N ATOM 0 H LYS A 22 60.256 0.601 7.822 1.00 0.00 H new ATOM 0 HA LYS A 22 57.891 2.261 7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.645 1.131 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.265 0.530 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.162 -1.395 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.630 -0.853 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.978 -0.938 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.991 -2.067 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.201 -3.329 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.937 -3.401 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.011 -2.319 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.708 -1.077 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.155 -2.492 3.875 1.00 0.00 H new ATOM 360 N LEU A 23 57.903 -0.512 9.314 1.00 0.00 N ATOM 361 CA LEU A 23 57.184 -1.263 10.318 1.00 0.00 C ATOM 362 C LEU A 23 56.425 -0.292 11.199 1.00 0.00 C ATOM 363 O LEU A 23 55.258 -0.493 11.527 1.00 0.00 O ATOM 364 CB LEU A 23 58.216 -1.999 11.178 1.00 0.00 C ATOM 365 CG LEU A 23 58.459 -3.428 10.680 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.446 -3.436 9.499 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.051 -4.232 11.835 1.00 0.00 C ATOM 0 H LEU A 23 58.851 -0.846 9.140 1.00 0.00 H new ATOM 0 HA LEU A 23 56.491 -1.966 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.156 -1.447 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.873 -2.028 12.212 1.00 0.00 H new ATOM 0 HG LEU A 23 57.518 -3.861 10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.603 -4.461 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 59.038 -2.844 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.397 -3.009 9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.235 -5.256 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.990 -3.778 12.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.351 -4.237 12.671 1.00 0.00 H new ATOM 379 N PHE A 24 57.142 0.748 11.588 1.00 0.00 N ATOM 380 CA PHE A 24 56.614 1.779 12.460 1.00 0.00 C ATOM 381 C PHE A 24 55.660 2.698 11.706 1.00 0.00 C ATOM 382 O PHE A 24 54.469 2.779 12.020 1.00 0.00 O ATOM 383 CB PHE A 24 57.790 2.587 13.015 1.00 0.00 C ATOM 384 CG PHE A 24 59.024 1.709 13.124 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.294 2.295 13.090 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.905 0.315 13.246 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.437 1.495 13.174 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.047 -0.477 13.328 1.00 0.00 C ATOM 389 CZ PHE A 24 61.310 0.110 13.289 1.00 0.00 C ATOM 0 H PHE A 24 58.110 0.900 11.306 1.00 0.00 H new ATOM 0 HA PHE A 24 56.054 1.315 13.272 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.996 3.437 12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.534 2.990 13.995 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.391 3.367 12.999 1.00 0.00 H new ATOM 0 HD2 PHE A 24 57.927 -0.143 13.276 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.417 1.948 13.150 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.954 -1.549 13.422 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.193 -0.509 13.348 1.00 0.00 H new ATOM 399 N GLU A 25 56.183 3.375 10.696 1.00 0.00 N ATOM 400 CA GLU A 25 55.357 4.270 9.902 1.00 0.00 C ATOM 401 C GLU A 25 54.202 3.492 9.309 1.00 0.00 C ATOM 402 O GLU A 25 53.133 4.043 9.053 1.00 0.00 O ATOM 403 CB GLU A 25 56.183 4.919 8.790 1.00 0.00 C ATOM 404 CG GLU A 25 57.098 5.986 9.392 1.00 0.00 C ATOM 405 CD GLU A 25 56.274 7.189 9.838 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.096 7.225 9.523 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.833 8.056 10.489 1.00 0.00 O ATOM 0 H GLU A 25 57.161 3.324 10.410 1.00 0.00 H new ATOM 0 HA GLU A 25 54.970 5.061 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.777 4.164 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.524 5.367 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.642 5.573 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.841 6.296 8.657 1.00 0.00 H new ATOM 414 N LEU A 26 54.414 2.197 9.119 1.00 0.00 N ATOM 415 CA LEU A 26 53.368 1.350 8.589 1.00 0.00 C ATOM 416 C LEU A 26 52.488 0.891 9.741 1.00 0.00 C ATOM 417 O LEU A 26 51.304 0.616 9.569 1.00 0.00 O ATOM 418 CB LEU A 26 53.974 0.152 7.852 1.00 0.00 C ATOM 419 CG LEU A 26 52.908 -0.607 7.054 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.331 -1.707 7.924 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.774 0.320 6.599 1.00 0.00 C ATOM 0 H LEU A 26 55.292 1.719 9.323 1.00 0.00 H new ATOM 0 HA LEU A 26 52.765 1.907 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.759 0.496 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.442 -0.521 8.570 1.00 0.00 H new ATOM 0 HG LEU A 26 53.381 -1.024 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.571 -2.253 7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.126 -2.392 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.881 -1.268 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.038 -0.254 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.297 0.766 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.180 1.108 5.965 1.00 0.00 H new ATOM 433 N MET A 27 53.074 0.846 10.931 1.00 0.00 N ATOM 434 CA MET A 27 52.322 0.461 12.112 1.00 0.00 C ATOM 435 C MET A 27 51.107 1.365 12.180 1.00 0.00 C ATOM 436 O MET A 27 50.042 0.976 12.656 1.00 0.00 O ATOM 437 CB MET A 27 53.177 0.587 13.388 1.00 0.00 C ATOM 438 CG MET A 27 52.885 1.901 14.125 1.00 0.00 C ATOM 439 SD MET A 27 51.355 1.730 15.080 1.00 0.00 S ATOM 440 CE MET A 27 51.879 2.676 16.531 1.00 0.00 C ATOM 0 H MET A 27 54.055 1.069 11.100 1.00 0.00 H new ATOM 0 HA MET A 27 52.021 -0.585 12.046 1.00 0.00 H new ATOM 0 HB2 MET A 27 52.975 -0.256 14.049 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.234 0.541 13.126 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.714 2.151 14.787 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.791 2.718 13.410 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.071 2.699 17.262 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.756 2.205 16.975 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.126 3.695 16.232 1.00 0.00 H new ATOM 450 N GLN A 28 51.272 2.578 11.650 1.00 0.00 N ATOM 451 CA GLN A 28 50.166 3.512 11.612 1.00 0.00 C ATOM 452 C GLN A 28 49.103 2.897 10.713 1.00 0.00 C ATOM 453 O GLN A 28 47.939 3.297 10.719 1.00 0.00 O ATOM 454 CB GLN A 28 50.645 4.873 11.076 1.00 0.00 C ATOM 455 CG GLN A 28 49.611 5.473 10.121 1.00 0.00 C ATOM 456 CD GLN A 28 49.981 6.916 9.793 1.00 0.00 C ATOM 457 OE1 GLN A 28 50.863 7.160 8.970 1.00 0.00 O ATOM 458 NE2 GLN A 28 49.357 7.892 10.393 1.00 0.00 N ATOM 0 H GLN A 28 52.145 2.924 11.251 1.00 0.00 H new ATOM 0 HA GLN A 28 49.756 3.691 12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.819 5.556 11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.597 4.751 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.564 4.884 9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.620 5.437 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.626 7.687 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.600 8.860 10.180 1.00 0.00 H new ATOM 467 N GLY A 29 49.530 1.873 9.973 1.00 0.00 N ATOM 468 CA GLY A 29 48.634 1.132 9.087 1.00 0.00 C ATOM 469 C GLY A 29 48.197 -0.147 9.787 1.00 0.00 C ATOM 470 O GLY A 29 47.016 -0.492 9.802 1.00 0.00 O ATOM 0 H GLY A 29 50.493 1.538 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.765 1.740 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.140 0.896 8.151 1.00 0.00 H new ATOM 474 N PHE A 30 49.164 -0.817 10.412 1.00 0.00 N ATOM 475 CA PHE A 30 48.884 -2.031 11.173 1.00 0.00 C ATOM 476 C PHE A 30 48.988 -1.701 12.653 1.00 0.00 C ATOM 477 O PHE A 30 50.002 -1.166 13.098 1.00 0.00 O ATOM 478 CB PHE A 30 49.897 -3.146 10.899 1.00 0.00 C ATOM 479 CG PHE A 30 49.977 -3.542 9.442 1.00 0.00 C ATOM 480 CD1 PHE A 30 51.212 -3.927 8.940 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.848 -3.588 8.617 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.349 -4.357 7.622 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.981 -4.007 7.286 1.00 0.00 C ATOM 484 CZ PHE A 30 50.235 -4.395 6.788 1.00 0.00 C ATOM 0 H PHE A 30 50.146 -0.540 10.406 1.00 0.00 H new ATOM 0 HA PHE A 30 47.893 -2.376 10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.882 -2.822 11.234 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.631 -4.021 11.491 1.00 0.00 H new ATOM 0 HD1 PHE A 30 52.081 -3.893 9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.881 -3.303 9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 30 52.316 -4.660 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.115 -4.031 6.641 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.335 -4.721 5.763 1.00 0.00 H new ATOM 494 N ASP A 31 47.978 -2.057 13.428 1.00 0.00 N ATOM 495 CA ASP A 31 48.035 -1.815 14.847 1.00 0.00 C ATOM 496 C ASP A 31 48.699 -3.014 15.460 1.00 0.00 C ATOM 497 O ASP A 31 48.086 -4.069 15.605 1.00 0.00 O ATOM 498 CB ASP A 31 46.634 -1.622 15.422 1.00 0.00 C ATOM 499 CG ASP A 31 46.718 -1.315 16.913 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.598 -1.858 17.561 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.901 -0.541 17.385 1.00 0.00 O ATOM 0 H ASP A 31 47.124 -2.507 13.099 1.00 0.00 H new ATOM 0 HA ASP A 31 48.593 -0.904 15.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.128 -0.808 14.903 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.039 -2.521 15.261 1.00 0.00 H new ATOM 506 N ALA A 32 49.971 -2.873 15.770 1.00 0.00 N ATOM 507 CA ALA A 32 50.699 -3.969 16.305 1.00 0.00 C ATOM 508 C ALA A 32 52.054 -3.507 16.762 1.00 0.00 C ATOM 509 O ALA A 32 52.618 -2.549 16.231 1.00 0.00 O ATOM 510 CB ALA A 32 50.849 -5.037 15.244 1.00 0.00 C ATOM 0 H ALA A 32 50.505 -2.012 15.656 1.00 0.00 H new ATOM 0 HA ALA A 32 50.160 -4.381 17.159 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.407 -5.879 15.652 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.863 -5.375 14.926 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.385 -4.627 14.388 1.00 0.00 H new ATOM 516 N GLU A 33 52.562 -4.187 17.752 1.00 0.00 N ATOM 517 CA GLU A 33 53.841 -3.861 18.304 1.00 0.00 C ATOM 518 C GLU A 33 54.863 -4.866 17.843 1.00 0.00 C ATOM 519 O GLU A 33 55.079 -5.902 18.471 1.00 0.00 O ATOM 520 CB GLU A 33 53.703 -3.874 19.800 1.00 0.00 C ATOM 521 CG GLU A 33 54.322 -2.606 20.368 1.00 0.00 C ATOM 522 CD GLU A 33 54.378 -2.679 21.890 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.235 -3.383 22.399 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.563 -2.030 22.525 1.00 0.00 O ATOM 0 H GLU A 33 52.100 -4.981 18.196 1.00 0.00 H new ATOM 0 HA GLU A 33 54.175 -2.877 17.974 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.651 -3.937 20.080 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.197 -4.752 20.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.327 -2.472 19.967 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.738 -1.739 20.060 1.00 0.00 H new ATOM 531 N VAL A 34 55.472 -4.546 16.729 1.00 0.00 N ATOM 532 CA VAL A 34 56.470 -5.430 16.144 1.00 0.00 C ATOM 533 C VAL A 34 57.786 -5.309 16.885 1.00 0.00 C ATOM 534 O VAL A 34 58.345 -4.221 16.998 1.00 0.00 O ATOM 535 CB VAL A 34 56.716 -5.086 14.671 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.269 -6.318 13.933 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.417 -4.613 14.015 1.00 0.00 C ATOM 0 H VAL A 34 55.302 -3.687 16.206 1.00 0.00 H new ATOM 0 HA VAL A 34 56.087 -6.447 16.222 1.00 0.00 H new ATOM 0 HB VAL A 34 57.448 -4.280 14.611 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.442 -6.068 12.886 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.208 -6.626 14.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.549 -7.134 13.997 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.605 -4.372 12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.669 -5.404 14.076 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.050 -3.726 14.532 1.00 0.00 H new ATOM 547 N LEU A 35 58.282 -6.428 17.393 1.00 0.00 N ATOM 548 CA LEU A 35 59.536 -6.408 18.121 1.00 0.00 C ATOM 549 C LEU A 35 60.639 -7.118 17.329 1.00 0.00 C ATOM 550 O LEU A 35 60.507 -8.284 16.956 1.00 0.00 O ATOM 551 CB LEU A 35 59.334 -7.054 19.502 1.00 0.00 C ATOM 552 CG LEU A 35 60.500 -7.985 19.864 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.819 -7.197 19.891 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.233 -8.594 21.242 1.00 0.00 C ATOM 0 H LEU A 35 57.842 -7.345 17.315 1.00 0.00 H new ATOM 0 HA LEU A 35 59.854 -5.375 18.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.240 -6.275 20.259 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.401 -7.618 19.508 1.00 0.00 H new ATOM 0 HG LEU A 35 60.583 -8.774 19.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.638 -7.868 20.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.002 -6.761 18.909 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.753 -6.402 20.634 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.054 -9.258 21.512 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.152 -7.798 21.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 59.302 -9.161 21.215 1.00 0.00 H new ATOM 566 N LEU A 36 61.718 -6.389 17.073 1.00 0.00 N ATOM 567 CA LEU A 36 62.858 -6.910 16.324 1.00 0.00 C ATOM 568 C LEU A 36 64.035 -7.204 17.250 1.00 0.00 C ATOM 569 O LEU A 36 64.519 -6.313 17.938 1.00 0.00 O ATOM 570 CB LEU A 36 63.282 -5.857 15.316 1.00 0.00 C ATOM 571 CG LEU A 36 62.432 -5.987 14.058 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.951 -5.883 14.431 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.786 -4.858 13.104 1.00 0.00 C ATOM 0 H LEU A 36 61.829 -5.422 17.377 1.00 0.00 H new ATOM 0 HA LEU A 36 62.566 -7.837 15.831 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.167 -4.861 15.744 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.337 -5.978 15.069 1.00 0.00 H new ATOM 0 HG LEU A 36 62.622 -6.950 13.584 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.342 -5.976 13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.694 -6.681 15.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.761 -4.918 14.900 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.183 -4.943 12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.588 -3.900 13.584 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.842 -4.921 12.842 1.00 0.00 H new ATOM 585 N ARG A 37 64.505 -8.448 17.260 1.00 0.00 N ATOM 586 CA ARG A 37 65.625 -8.812 18.098 1.00 0.00 C ATOM 587 C ARG A 37 66.484 -9.867 17.446 1.00 0.00 C ATOM 588 O ARG A 37 66.038 -10.594 16.569 1.00 0.00 O ATOM 589 CB ARG A 37 65.136 -9.362 19.426 1.00 0.00 C ATOM 590 CG ARG A 37 64.303 -10.617 19.200 1.00 0.00 C ATOM 591 CD ARG A 37 63.715 -11.093 20.531 1.00 0.00 C ATOM 592 NE ARG A 37 64.747 -11.141 21.572 1.00 0.00 N ATOM 593 CZ ARG A 37 65.913 -11.760 21.399 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.829 -11.685 22.325 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.132 -12.475 20.330 1.00 0.00 N ATOM 0 H ARG A 37 64.126 -9.211 16.699 1.00 0.00 H new ATOM 0 HA ARG A 37 66.214 -7.908 18.251 1.00 0.00 H new ATOM 0 HB2 ARG A 37 65.986 -9.592 20.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.540 -8.609 19.943 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.502 -10.410 18.491 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.921 -11.401 18.763 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.913 -10.422 20.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.273 -12.082 20.405 1.00 0.00 H new ATOM 0 HE ARG A 37 64.564 -10.682 22.464 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.650 -11.154 23.177 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.724 -12.158 22.197 1.00 0.00 H new ATOM 0 HH21 ARG A 37 65.407 -12.563 19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.028 -12.946 20.206 1.00 0.00 H new ATOM 609 N ASN A 38 67.711 -9.965 17.924 1.00 0.00 N ATOM 610 CA ASN A 38 68.641 -10.961 17.418 1.00 0.00 C ATOM 611 C ASN A 38 68.752 -12.110 18.395 1.00 0.00 C ATOM 612 O ASN A 38 68.921 -11.889 19.602 1.00 0.00 O ATOM 613 CB ASN A 38 70.040 -10.397 17.259 1.00 0.00 C ATOM 614 CG ASN A 38 70.117 -9.372 16.153 1.00 0.00 C ATOM 615 OD1 ASN A 38 70.825 -8.304 16.355 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.538 -9.550 15.083 1.00 0.00 N flip ATOM 0 H ASN A 38 68.087 -9.369 18.661 1.00 0.00 H new ATOM 0 HA ASN A 38 68.254 -11.284 16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.355 -9.941 18.198 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.736 -11.209 17.049 1.00 0.00 H new ATOM 0 HD21 ASN A 38 68.984 -10.394 14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.611 -8.853 14.341 1.00 0.00 H new ATOM 623 N ASP A 39 68.722 -13.327 17.865 1.00 0.00 N ATOM 624 CA ASP A 39 68.874 -14.508 18.705 1.00 0.00 C ATOM 625 C ASP A 39 70.138 -14.353 19.539 1.00 0.00 C ATOM 626 O ASP A 39 70.431 -15.160 20.421 1.00 0.00 O ATOM 627 CB ASP A 39 68.972 -15.766 17.838 1.00 0.00 C ATOM 628 CG ASP A 39 69.244 -16.984 18.715 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.316 -17.553 18.588 1.00 0.00 O ATOM 630 OD2 ASP A 39 68.377 -17.329 19.501 1.00 0.00 O ATOM 0 H ASP A 39 68.596 -13.521 16.872 1.00 0.00 H new ATOM 0 HA ASP A 39 68.007 -14.607 19.358 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.045 -15.908 17.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.770 -15.651 17.104 1.00 0.00 H new ATOM 635 N GLU A 40 70.872 -13.288 19.239 1.00 0.00 N ATOM 636 CA GLU A 40 72.108 -12.970 19.933 1.00 0.00 C ATOM 637 C GLU A 40 71.810 -12.404 21.308 1.00 0.00 C ATOM 638 O GLU A 40 72.659 -12.412 22.199 1.00 0.00 O ATOM 639 CB GLU A 40 72.853 -11.905 19.134 1.00 0.00 C ATOM 640 CG GLU A 40 73.433 -12.519 17.862 1.00 0.00 C ATOM 641 CD GLU A 40 74.736 -13.247 18.176 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.672 -14.423 18.495 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.778 -12.619 18.092 1.00 0.00 O ATOM 0 H GLU A 40 70.624 -12.622 18.507 1.00 0.00 H new ATOM 0 HA GLU A 40 72.703 -13.878 20.034 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.176 -11.090 18.879 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.653 -11.477 19.739 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.716 -13.214 17.425 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.613 -11.739 17.122 1.00 0.00 H new ATOM 650 N GLY A 41 70.601 -11.886 21.457 1.00 0.00 N ATOM 651 CA GLY A 41 70.186 -11.280 22.708 1.00 0.00 C ATOM 652 C GLY A 41 69.899 -9.804 22.489 1.00 0.00 C ATOM 653 O GLY A 41 69.505 -9.094 23.414 1.00 0.00 O ATOM 0 H GLY A 41 69.891 -11.874 20.725 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.296 -11.781 23.089 1.00 0.00 H new ATOM 0 HA3 GLY A 41 70.966 -11.402 23.459 1.00 0.00 H new ATOM 657 N THR A 42 70.080 -9.345 21.246 1.00 0.00 N ATOM 658 CA THR A 42 69.807 -7.937 20.934 1.00 0.00 C ATOM 659 C THR A 42 68.320 -7.774 20.669 1.00 0.00 C ATOM 660 O THR A 42 67.755 -8.502 19.860 1.00 0.00 O ATOM 661 CB THR A 42 70.611 -7.459 19.713 1.00 0.00 C ATOM 662 OG1 THR A 42 71.936 -7.144 20.118 1.00 0.00 O ATOM 663 CG2 THR A 42 69.950 -6.212 19.113 1.00 0.00 C ATOM 0 H THR A 42 70.405 -9.908 20.460 1.00 0.00 H new ATOM 0 HA THR A 42 70.111 -7.328 21.785 1.00 0.00 H new ATOM 0 HB THR A 42 70.634 -8.249 18.963 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.452 -6.841 19.342 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.523 -5.877 18.248 1.00 0.00 H new ATOM 0 HG22 THR A 42 68.933 -6.453 18.803 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.924 -5.419 19.860 1.00 0.00 H new ATOM 671 N GLU A 43 67.686 -6.835 21.367 1.00 0.00 N ATOM 672 CA GLU A 43 66.250 -6.623 21.202 1.00 0.00 C ATOM 673 C GLU A 43 65.929 -5.216 20.726 1.00 0.00 C ATOM 674 O GLU A 43 66.411 -4.233 21.289 1.00 0.00 O ATOM 675 CB GLU A 43 65.534 -6.880 22.530 1.00 0.00 C ATOM 676 CG GLU A 43 65.535 -8.380 22.833 1.00 0.00 C ATOM 677 CD GLU A 43 65.241 -8.615 24.311 1.00 0.00 C ATOM 678 OE1 GLU A 43 64.273 -8.055 24.799 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.989 -9.351 24.934 1.00 0.00 O ATOM 0 H GLU A 43 68.135 -6.217 22.043 1.00 0.00 H new ATOM 0 HA GLU A 43 65.903 -7.322 20.441 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.031 -6.336 23.334 1.00 0.00 H new ATOM 0 HB3 GLU A 43 64.510 -6.510 22.480 1.00 0.00 H new ATOM 0 HG2 GLU A 43 64.787 -8.883 22.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.502 -8.811 22.573 1.00 0.00 H new ATOM 686 N ALA A 44 65.094 -5.127 19.688 1.00 0.00 N ATOM 687 CA ALA A 44 64.700 -3.837 19.154 1.00 0.00 C ATOM 688 C ALA A 44 63.189 -3.738 19.003 1.00 0.00 C ATOM 689 O ALA A 44 62.579 -4.498 18.253 1.00 0.00 O ATOM 690 CB ALA A 44 65.338 -3.624 17.788 1.00 0.00 C ATOM 0 H ALA A 44 64.685 -5.930 19.209 1.00 0.00 H new ATOM 0 HA ALA A 44 65.037 -3.074 19.855 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.038 -2.653 17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.423 -3.656 17.884 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.011 -4.410 17.107 1.00 0.00 H new ATOM 696 N GLU A 45 62.595 -2.773 19.692 1.00 0.00 N ATOM 697 CA GLU A 45 61.158 -2.560 19.597 1.00 0.00 C ATOM 698 C GLU A 45 60.877 -1.652 18.411 1.00 0.00 C ATOM 699 O GLU A 45 61.266 -0.485 18.412 1.00 0.00 O ATOM 700 CB GLU A 45 60.630 -1.917 20.884 1.00 0.00 C ATOM 701 CG GLU A 45 59.438 -2.719 21.415 1.00 0.00 C ATOM 702 CD GLU A 45 58.276 -2.639 20.430 1.00 0.00 C ATOM 703 OE1 GLU A 45 57.420 -3.507 20.483 1.00 0.00 O ATOM 704 OE2 GLU A 45 58.259 -1.712 19.637 1.00 0.00 O ATOM 0 H GLU A 45 63.081 -2.131 20.318 1.00 0.00 H new ATOM 0 HA GLU A 45 60.655 -3.517 19.460 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.420 -1.883 21.634 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.330 -0.887 20.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.727 -3.759 21.566 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.130 -2.330 22.386 1.00 0.00 H new ATOM 711 N ALA A 46 60.223 -2.203 17.396 1.00 0.00 N ATOM 712 CA ALA A 46 59.912 -1.447 16.188 1.00 0.00 C ATOM 713 C ALA A 46 60.001 0.066 16.410 1.00 0.00 C ATOM 714 O ALA A 46 60.977 0.710 16.023 1.00 0.00 O ATOM 715 CB ALA A 46 58.500 -1.797 15.712 1.00 0.00 C ATOM 0 H ALA A 46 59.898 -3.170 17.385 1.00 0.00 H new ATOM 0 HA ALA A 46 60.652 -1.721 15.436 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.270 -1.231 14.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.443 -2.864 15.496 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.781 -1.546 16.491 1.00 0.00 H new ATOM 721 N ASN A 47 58.955 0.617 17.010 1.00 0.00 N ATOM 722 CA ASN A 47 58.870 2.052 17.267 1.00 0.00 C ATOM 723 C ASN A 47 60.228 2.682 17.581 1.00 0.00 C ATOM 724 O ASN A 47 60.437 3.863 17.300 1.00 0.00 O ATOM 725 CB ASN A 47 57.908 2.308 18.427 1.00 0.00 C ATOM 726 CG ASN A 47 57.716 3.808 18.624 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.865 4.313 19.737 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.389 4.554 17.604 1.00 0.00 N ATOM 0 H ASN A 47 58.145 0.087 17.332 1.00 0.00 H new ATOM 0 HA ASN A 47 58.503 2.520 16.353 1.00 0.00 H new ATOM 0 HB2 ASN A 47 56.948 1.834 18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.299 1.860 19.340 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.256 5.558 17.728 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.266 4.133 16.683 1.00 0.00 H new ATOM 735 N SER A 48 61.146 1.921 18.172 1.00 0.00 N ATOM 736 CA SER A 48 62.451 2.467 18.513 1.00 0.00 C ATOM 737 C SER A 48 63.488 2.107 17.453 1.00 0.00 C ATOM 738 O SER A 48 63.901 0.954 17.340 1.00 0.00 O ATOM 739 CB SER A 48 62.882 1.924 19.870 1.00 0.00 C ATOM 740 OG SER A 48 62.065 2.493 20.885 1.00 0.00 O ATOM 0 H SER A 48 61.012 0.941 18.420 1.00 0.00 H new ATOM 0 HA SER A 48 62.377 3.554 18.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.795 0.838 19.884 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.930 2.163 20.054 1.00 0.00 H new ATOM 0 HG SER A 48 62.339 2.144 21.759 1.00 0.00 H new ATOM 746 N VAL A 49 63.905 3.108 16.680 1.00 0.00 N ATOM 747 CA VAL A 49 64.897 2.894 15.630 1.00 0.00 C ATOM 748 C VAL A 49 66.278 2.686 16.236 1.00 0.00 C ATOM 749 O VAL A 49 67.110 1.967 15.684 1.00 0.00 O ATOM 750 CB VAL A 49 64.932 4.102 14.693 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.441 3.675 13.316 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.522 4.679 14.555 1.00 0.00 C ATOM 0 H VAL A 49 63.573 4.069 16.760 1.00 0.00 H new ATOM 0 HA VAL A 49 64.618 2.003 15.068 1.00 0.00 H new ATOM 0 HB VAL A 49 65.600 4.858 15.106 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.464 4.539 12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.446 3.264 13.411 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.776 2.917 12.901 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.545 5.540 13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 49 62.857 3.919 14.145 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.158 4.989 15.535 1.00 0.00 H new ATOM 762 N ILE A 50 66.510 3.309 17.384 1.00 0.00 N ATOM 763 CA ILE A 50 67.766 3.182 18.071 1.00 0.00 C ATOM 764 C ILE A 50 67.958 1.726 18.444 1.00 0.00 C ATOM 765 O ILE A 50 69.067 1.184 18.421 1.00 0.00 O ATOM 766 CB ILE A 50 67.679 4.071 19.315 1.00 0.00 C ATOM 767 CG1 ILE A 50 68.800 5.114 19.301 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.747 3.238 20.588 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.157 4.437 19.520 1.00 0.00 C ATOM 0 H ILE A 50 65.832 3.909 17.853 1.00 0.00 H new ATOM 0 HA ILE A 50 68.614 3.490 17.459 1.00 0.00 H new ATOM 0 HB ILE A 50 66.718 4.585 19.298 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.800 5.645 18.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.626 5.856 20.080 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.683 3.894 21.456 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.917 2.532 20.605 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.690 2.691 20.615 1.00 0.00 H new ATOM 0 HD11 ILE A 50 70.945 5.190 19.508 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.158 3.926 20.483 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.335 3.713 18.725 1.00 0.00 H new ATOM 781 N ALA A 51 66.839 1.106 18.771 1.00 0.00 N ATOM 782 CA ALA A 51 66.817 -0.281 19.142 1.00 0.00 C ATOM 783 C ALA A 51 67.185 -1.127 17.930 1.00 0.00 C ATOM 784 O ALA A 51 67.801 -2.184 18.062 1.00 0.00 O ATOM 785 CB ALA A 51 65.413 -0.616 19.658 1.00 0.00 C ATOM 0 H ALA A 51 65.924 1.557 18.784 1.00 0.00 H new ATOM 0 HA ALA A 51 67.540 -0.492 19.930 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.372 -1.666 19.946 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.185 0.007 20.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.682 -0.427 18.872 1.00 0.00 H new ATOM 791 N LEU A 52 66.824 -0.637 16.743 1.00 0.00 N ATOM 792 CA LEU A 52 67.139 -1.343 15.512 1.00 0.00 C ATOM 793 C LEU A 52 68.630 -1.211 15.209 1.00 0.00 C ATOM 794 O LEU A 52 69.302 -2.191 14.897 1.00 0.00 O ATOM 795 CB LEU A 52 66.308 -0.783 14.343 1.00 0.00 C ATOM 796 CG LEU A 52 65.002 -1.582 14.192 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.949 -1.019 15.147 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.493 -1.472 12.749 1.00 0.00 C ATOM 0 H LEU A 52 66.318 0.239 16.614 1.00 0.00 H new ATOM 0 HA LEU A 52 66.891 -2.397 15.637 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.082 0.269 14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.884 -0.835 13.419 1.00 0.00 H new ATOM 0 HG LEU A 52 65.189 -2.629 14.430 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.023 -1.584 15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.308 -1.099 16.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.764 0.028 14.908 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.568 -2.039 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.306 -0.426 12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 52 65.243 -1.873 12.067 1.00 0.00 H new ATOM 810 N LEU A 53 69.153 0.000 15.319 1.00 0.00 N ATOM 811 CA LEU A 53 70.569 0.216 15.065 1.00 0.00 C ATOM 812 C LEU A 53 71.385 -0.897 15.725 1.00 0.00 C ATOM 813 O LEU A 53 72.379 -1.371 15.176 1.00 0.00 O ATOM 814 CB LEU A 53 70.983 1.575 15.633 1.00 0.00 C ATOM 815 CG LEU A 53 72.130 2.168 14.808 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.623 3.454 15.473 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.286 1.164 14.726 1.00 0.00 C ATOM 0 H LEU A 53 68.629 0.836 15.578 1.00 0.00 H new ATOM 0 HA LEU A 53 70.755 0.203 13.991 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.131 2.255 15.626 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.293 1.464 16.672 1.00 0.00 H new ATOM 0 HG LEU A 53 71.772 2.388 13.802 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.439 3.877 14.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.805 4.172 15.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.977 3.231 16.479 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.098 1.592 14.138 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.644 0.939 15.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.938 0.247 14.251 1.00 0.00 H new ATOM 829 N MET A 54 70.946 -1.302 16.911 1.00 0.00 N ATOM 830 CA MET A 54 71.627 -2.358 17.662 1.00 0.00 C ATOM 831 C MET A 54 71.734 -3.658 16.856 1.00 0.00 C ATOM 832 O MET A 54 72.761 -4.336 16.896 1.00 0.00 O ATOM 833 CB MET A 54 70.864 -2.636 18.961 1.00 0.00 C ATOM 834 CG MET A 54 71.772 -3.381 19.942 1.00 0.00 C ATOM 835 SD MET A 54 72.950 -2.217 20.675 1.00 0.00 S ATOM 836 CE MET A 54 73.021 -2.967 22.321 1.00 0.00 C ATOM 0 H MET A 54 70.123 -0.918 17.375 1.00 0.00 H new ATOM 0 HA MET A 54 72.637 -2.010 17.878 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.526 -1.699 19.403 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.974 -3.229 18.752 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.174 -3.851 20.723 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.306 -4.179 19.426 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.704 -2.397 22.951 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.026 -2.962 22.766 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.376 -3.994 22.238 1.00 0.00 H new ATOM 846 N LEU A 55 70.666 -4.009 16.142 1.00 0.00 N ATOM 847 CA LEU A 55 70.653 -5.248 15.349 1.00 0.00 C ATOM 848 C LEU A 55 71.240 -5.034 13.958 1.00 0.00 C ATOM 849 O LEU A 55 71.483 -5.993 13.228 1.00 0.00 O ATOM 850 CB LEU A 55 69.232 -5.845 15.236 1.00 0.00 C ATOM 851 CG LEU A 55 68.158 -4.751 15.123 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.081 -4.209 13.686 1.00 0.00 C ATOM 853 CD2 LEU A 55 66.804 -5.346 15.494 1.00 0.00 C ATOM 0 H LEU A 55 69.805 -3.464 16.093 1.00 0.00 H new ATOM 0 HA LEU A 55 71.282 -5.961 15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.180 -6.496 14.363 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.028 -6.465 16.109 1.00 0.00 H new ATOM 0 HG LEU A 55 68.419 -3.934 15.796 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.315 -3.436 13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 55 69.045 -3.785 13.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.829 -5.021 13.004 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.035 -4.577 15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.568 -6.165 14.814 1.00 0.00 H new ATOM 0 HD23 LEU A 55 66.840 -5.722 16.516 1.00 0.00 H new ATOM 865 N ASP A 56 71.471 -3.781 13.596 1.00 0.00 N ATOM 866 CA ASP A 56 72.041 -3.471 12.294 1.00 0.00 C ATOM 867 C ASP A 56 73.262 -4.343 12.076 1.00 0.00 C ATOM 868 O ASP A 56 73.476 -4.883 10.990 1.00 0.00 O ATOM 869 CB ASP A 56 72.440 -1.995 12.226 1.00 0.00 C ATOM 870 CG ASP A 56 72.975 -1.665 10.836 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.714 -2.473 10.299 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.638 -0.608 10.330 1.00 0.00 O ATOM 0 H ASP A 56 71.274 -2.968 14.180 1.00 0.00 H new ATOM 0 HA ASP A 56 71.301 -3.664 11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.579 -1.366 12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.199 -1.780 12.978 1.00 0.00 H new ATOM 877 N SER A 57 74.046 -4.494 13.135 1.00 0.00 N ATOM 878 CA SER A 57 75.233 -5.325 13.075 1.00 0.00 C ATOM 879 C SER A 57 74.824 -6.774 12.854 1.00 0.00 C ATOM 880 O SER A 57 75.674 -7.654 12.729 1.00 0.00 O ATOM 881 CB SER A 57 76.026 -5.206 14.377 1.00 0.00 C ATOM 882 OG SER A 57 75.359 -5.933 15.401 1.00 0.00 O ATOM 0 H SER A 57 73.880 -4.053 14.040 1.00 0.00 H new ATOM 0 HA SER A 57 75.861 -4.992 12.249 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.035 -5.593 14.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.123 -4.159 14.663 1.00 0.00 H new ATOM 0 HG SER A 57 75.865 -5.860 16.237 1.00 0.00 H new ATOM 888 N ALA A 58 73.508 -7.010 12.810 1.00 0.00 N ATOM 889 CA ALA A 58 72.977 -8.367 12.601 1.00 0.00 C ATOM 890 C ALA A 58 73.997 -9.247 11.873 1.00 0.00 C ATOM 891 O ALA A 58 74.272 -10.371 12.290 1.00 0.00 O ATOM 892 CB ALA A 58 71.672 -8.302 11.792 1.00 0.00 C ATOM 0 H ALA A 58 72.795 -6.288 12.915 1.00 0.00 H new ATOM 0 HA ALA A 58 72.775 -8.809 13.577 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.286 -9.310 11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 58 70.936 -7.709 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.867 -7.840 10.824 1.00 0.00 H new ATOM 898 N LYS A 59 74.555 -8.709 10.797 1.00 0.00 N ATOM 899 CA LYS A 59 75.562 -9.409 9.993 1.00 0.00 C ATOM 900 C LYS A 59 75.535 -10.930 10.187 1.00 0.00 C ATOM 901 O LYS A 59 76.446 -11.499 10.788 1.00 0.00 O ATOM 902 CB LYS A 59 76.956 -8.885 10.344 1.00 0.00 C ATOM 903 CG LYS A 59 77.104 -7.451 9.832 1.00 0.00 C ATOM 904 CD LYS A 59 78.533 -6.960 10.081 1.00 0.00 C ATOM 905 CE LYS A 59 78.819 -5.748 9.191 1.00 0.00 C ATOM 906 NZ LYS A 59 80.048 -5.057 9.671 1.00 0.00 N ATOM 0 H LYS A 59 74.326 -7.776 10.453 1.00 0.00 H new ATOM 0 HA LYS A 59 75.323 -9.210 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.107 -8.915 11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.719 -9.523 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.875 -7.409 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.392 -6.799 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.659 -6.692 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.245 -7.757 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.948 -6.066 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.972 -5.062 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.242 -4.234 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.908 -4.741 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.854 -5.714 9.631 1.00 0.00 H new ATOM 920 N GLY A 60 74.507 -11.587 9.648 1.00 0.00 N ATOM 921 CA GLY A 60 74.406 -13.046 9.744 1.00 0.00 C ATOM 922 C GLY A 60 73.513 -13.482 10.897 1.00 0.00 C ATOM 923 O GLY A 60 72.624 -14.316 10.725 1.00 0.00 O ATOM 0 H GLY A 60 73.740 -11.140 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.011 -13.444 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.401 -13.470 9.876 1.00 0.00 H new ATOM 927 N ARG A 61 73.757 -12.913 12.068 1.00 0.00 N ATOM 928 CA ARG A 61 72.982 -13.236 13.253 1.00 0.00 C ATOM 929 C ARG A 61 71.524 -13.436 12.880 1.00 0.00 C ATOM 930 O ARG A 61 71.084 -12.964 11.841 1.00 0.00 O ATOM 931 CB ARG A 61 73.129 -12.097 14.261 1.00 0.00 C ATOM 932 CG ARG A 61 74.623 -11.899 14.557 1.00 0.00 C ATOM 933 CD ARG A 61 74.878 -10.518 15.188 1.00 0.00 C ATOM 934 NE ARG A 61 75.947 -9.815 14.476 1.00 0.00 N ATOM 935 CZ ARG A 61 77.082 -10.420 14.128 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.991 -9.764 13.461 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.297 -11.662 14.470 1.00 0.00 N ATOM 0 H ARG A 61 74.491 -12.221 12.222 1.00 0.00 H new ATOM 0 HA ARG A 61 73.348 -14.161 13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.697 -11.179 13.862 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.589 -12.331 15.178 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.971 -12.682 15.231 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.197 -11.994 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.964 -9.925 15.160 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.149 -10.636 16.237 1.00 0.00 H new ATOM 0 HE ARG A 61 75.819 -8.831 14.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.832 -8.789 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.860 -10.226 13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.595 -12.172 15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.167 -12.122 14.202 1.00 0.00 H new ATOM 951 N GLN A 62 70.780 -14.144 13.717 1.00 0.00 N ATOM 952 CA GLN A 62 69.371 -14.392 13.431 1.00 0.00 C ATOM 953 C GLN A 62 68.500 -13.431 14.207 1.00 0.00 C ATOM 954 O GLN A 62 68.747 -13.166 15.381 1.00 0.00 O ATOM 955 CB GLN A 62 68.988 -15.830 13.795 1.00 0.00 C ATOM 956 CG GLN A 62 70.135 -16.763 13.421 1.00 0.00 C ATOM 957 CD GLN A 62 69.635 -18.202 13.339 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.094 -18.973 12.496 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.717 -18.612 14.171 1.00 0.00 N ATOM 0 H GLN A 62 71.120 -14.552 14.588 1.00 0.00 H new ATOM 0 HA GLN A 62 69.214 -14.242 12.363 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.776 -15.904 14.862 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.079 -16.122 13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.561 -16.463 12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.931 -16.688 14.162 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.338 -17.971 14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.378 -19.573 14.124 1.00 0.00 H new ATOM 968 N ILE A 63 67.474 -12.922 13.546 1.00 0.00 N ATOM 969 CA ILE A 63 66.563 -12.000 14.180 1.00 0.00 C ATOM 970 C ILE A 63 65.290 -12.712 14.537 1.00 0.00 C ATOM 971 O ILE A 63 64.860 -13.629 13.845 1.00 0.00 O ATOM 972 CB ILE A 63 66.236 -10.850 13.242 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.498 -9.756 14.010 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.339 -11.358 12.112 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.503 -8.806 14.650 1.00 0.00 C ATOM 0 H ILE A 63 67.256 -13.135 12.573 1.00 0.00 H new ATOM 0 HA ILE A 63 67.037 -11.608 15.080 1.00 0.00 H new ATOM 0 HB ILE A 63 67.161 -10.447 12.829 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.842 -9.205 13.336 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.865 -10.202 14.778 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.103 -10.535 11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.858 -12.142 11.560 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.417 -11.759 12.532 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.971 -8.028 15.197 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.141 -9.361 15.338 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.117 -8.349 13.874 1.00 0.00 H new ATOM 987 N GLU A 64 64.690 -12.257 15.609 1.00 0.00 N ATOM 988 CA GLU A 64 63.444 -12.813 16.078 1.00 0.00 C ATOM 989 C GLU A 64 62.392 -11.725 16.012 1.00 0.00 C ATOM 990 O GLU A 64 62.401 -10.787 16.807 1.00 0.00 O ATOM 991 CB GLU A 64 63.623 -13.337 17.508 1.00 0.00 C ATOM 992 CG GLU A 64 63.072 -14.759 17.621 1.00 0.00 C ATOM 993 CD GLU A 64 61.558 -14.753 17.443 1.00 0.00 C ATOM 994 OE1 GLU A 64 60.929 -15.710 17.864 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.049 -13.793 16.889 1.00 0.00 O ATOM 0 H GLU A 64 65.050 -11.493 16.180 1.00 0.00 H new ATOM 0 HA GLU A 64 63.129 -13.652 15.457 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.679 -13.326 17.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.107 -12.682 18.210 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.532 -15.396 16.865 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.330 -15.180 18.593 1.00 0.00 H new ATOM 1002 N VAL A 65 61.505 -11.829 15.037 1.00 0.00 N ATOM 1003 CA VAL A 65 60.482 -10.828 14.869 1.00 0.00 C ATOM 1004 C VAL A 65 59.290 -11.161 15.731 1.00 0.00 C ATOM 1005 O VAL A 65 58.874 -12.309 15.775 1.00 0.00 O ATOM 1006 CB VAL A 65 60.051 -10.793 13.407 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.251 -12.052 13.073 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.186 -9.559 13.176 1.00 0.00 C ATOM 0 H VAL A 65 61.477 -12.591 14.359 1.00 0.00 H new ATOM 0 HA VAL A 65 60.877 -9.856 15.164 1.00 0.00 H new ATOM 0 HB VAL A 65 60.931 -10.752 12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.945 -12.022 12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.870 -12.933 13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.367 -12.100 13.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.872 -9.525 12.133 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.306 -9.606 13.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.760 -8.663 13.412 1.00 0.00 H new ATOM 1018 N GLU A 66 58.729 -10.165 16.402 1.00 0.00 N ATOM 1019 CA GLU A 66 57.557 -10.417 17.219 1.00 0.00 C ATOM 1020 C GLU A 66 56.599 -9.233 17.174 1.00 0.00 C ATOM 1021 O GLU A 66 56.940 -8.148 17.635 1.00 0.00 O ATOM 1022 CB GLU A 66 57.935 -10.689 18.673 1.00 0.00 C ATOM 1023 CG GLU A 66 56.659 -10.683 19.523 1.00 0.00 C ATOM 1024 CD GLU A 66 56.911 -11.380 20.855 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.317 -12.422 21.079 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.694 -10.861 21.634 1.00 0.00 O ATOM 0 H GLU A 66 59.058 -9.199 16.397 1.00 0.00 H new ATOM 0 HA GLU A 66 57.069 -11.301 16.808 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.441 -11.651 18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.631 -9.930 19.031 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.334 -9.657 19.697 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.854 -11.186 18.987 1.00 0.00 H new ATOM 1033 N ALA A 67 55.391 -9.437 16.651 1.00 0.00 N ATOM 1034 CA ALA A 67 54.417 -8.349 16.606 1.00 0.00 C ATOM 1035 C ALA A 67 53.209 -8.702 17.451 1.00 0.00 C ATOM 1036 O ALA A 67 52.934 -9.878 17.684 1.00 0.00 O ATOM 1037 CB ALA A 67 54.006 -8.056 15.164 1.00 0.00 C ATOM 0 H ALA A 67 55.069 -10.323 16.261 1.00 0.00 H new ATOM 0 HA ALA A 67 54.875 -7.448 17.014 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.280 -7.243 15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.884 -7.768 14.587 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.560 -8.948 14.724 1.00 0.00 H new ATOM 1043 N THR A 68 52.505 -7.685 17.943 1.00 0.00 N ATOM 1044 CA THR A 68 51.354 -7.938 18.789 1.00 0.00 C ATOM 1045 C THR A 68 50.317 -6.816 18.700 1.00 0.00 C ATOM 1046 O THR A 68 50.476 -5.756 19.306 1.00 0.00 O ATOM 1047 CB THR A 68 51.821 -8.063 20.236 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.804 -9.083 20.332 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.630 -8.407 21.119 1.00 0.00 C ATOM 0 H THR A 68 52.709 -6.700 17.772 1.00 0.00 H new ATOM 0 HA THR A 68 50.883 -8.859 18.446 1.00 0.00 H new ATOM 0 HB THR A 68 52.255 -7.119 20.565 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.104 -9.161 21.262 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.959 -8.497 22.154 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.881 -7.618 21.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.196 -9.352 20.792 1.00 0.00 H new ATOM 1057 N GLY A 69 49.247 -7.074 17.961 1.00 0.00 N ATOM 1058 CA GLY A 69 48.160 -6.113 17.803 1.00 0.00 C ATOM 1059 C GLY A 69 47.214 -6.558 16.691 1.00 0.00 C ATOM 1060 O GLY A 69 47.466 -7.541 16.005 1.00 0.00 O ATOM 0 H GLY A 69 49.106 -7.949 17.456 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.611 -6.018 18.740 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.567 -5.129 17.571 1.00 0.00 H new ATOM 1064 N PRO A 70 46.134 -5.867 16.501 1.00 0.00 N ATOM 1065 CA PRO A 70 45.139 -6.211 15.451 1.00 0.00 C ATOM 1066 C PRO A 70 45.772 -6.726 14.161 1.00 0.00 C ATOM 1067 O PRO A 70 45.381 -7.773 13.645 1.00 0.00 O ATOM 1068 CB PRO A 70 44.435 -4.883 15.221 1.00 0.00 C ATOM 1069 CG PRO A 70 44.419 -4.243 16.569 1.00 0.00 C ATOM 1070 CD PRO A 70 45.721 -4.673 17.260 1.00 0.00 C ATOM 0 HA PRO A 70 44.481 -7.024 15.758 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.968 -4.270 14.495 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.426 -5.028 14.836 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.363 -3.158 16.484 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.549 -4.564 17.142 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.477 -3.889 17.217 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.560 -4.903 18.313 1.00 0.00 H new ATOM 1078 N GLN A 71 46.722 -5.968 13.627 1.00 0.00 N ATOM 1079 CA GLN A 71 47.371 -6.349 12.362 1.00 0.00 C ATOM 1080 C GLN A 71 48.871 -6.632 12.519 1.00 0.00 C ATOM 1081 O GLN A 71 49.671 -6.259 11.661 1.00 0.00 O ATOM 1082 CB GLN A 71 47.167 -5.230 11.341 1.00 0.00 C ATOM 1083 CG GLN A 71 45.733 -5.275 10.806 1.00 0.00 C ATOM 1084 CD GLN A 71 45.385 -3.953 10.132 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.194 -2.888 10.863 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 45.285 -3.887 8.907 1.00 0.00 N flip ATOM 0 H GLN A 71 47.062 -5.098 14.036 1.00 0.00 H new ATOM 0 HA GLN A 71 46.908 -7.276 12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.363 -4.263 11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.875 -5.340 10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.627 -6.094 10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.038 -5.470 11.622 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.435 -4.720 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 71 45.053 -2.999 8.461 1.00 0.00 H new ATOM 1095 N GLU A 72 49.246 -7.305 13.596 1.00 0.00 N ATOM 1096 CA GLU A 72 50.649 -7.645 13.833 1.00 0.00 C ATOM 1097 C GLU A 72 51.184 -8.553 12.747 1.00 0.00 C ATOM 1098 O GLU A 72 52.356 -8.478 12.388 1.00 0.00 O ATOM 1099 CB GLU A 72 50.790 -8.334 15.198 1.00 0.00 C ATOM 1100 CG GLU A 72 49.521 -9.128 15.502 1.00 0.00 C ATOM 1101 CD GLU A 72 49.815 -10.254 16.484 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.872 -10.893 16.923 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.975 -10.462 16.782 1.00 0.00 O ATOM 0 H GLU A 72 48.604 -7.628 14.320 1.00 0.00 H new ATOM 0 HA GLU A 72 51.229 -6.722 13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.655 -8.998 15.195 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.962 -7.591 15.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.762 -8.465 15.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.114 -9.540 14.579 1.00 0.00 H new ATOM 1110 N GLU A 73 50.331 -9.405 12.225 1.00 0.00 N ATOM 1111 CA GLU A 73 50.754 -10.317 11.183 1.00 0.00 C ATOM 1112 C GLU A 73 51.186 -9.538 9.949 1.00 0.00 C ATOM 1113 O GLU A 73 52.340 -9.602 9.542 1.00 0.00 O ATOM 1114 CB GLU A 73 49.612 -11.273 10.824 1.00 0.00 C ATOM 1115 CG GLU A 73 49.374 -12.257 11.982 1.00 0.00 C ATOM 1116 CD GLU A 73 49.553 -13.695 11.501 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.721 -14.521 11.841 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.519 -13.948 10.800 1.00 0.00 O ATOM 0 H GLU A 73 49.352 -9.487 12.499 1.00 0.00 H new ATOM 0 HA GLU A 73 51.600 -10.898 11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.702 -10.708 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.856 -11.820 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.071 -12.049 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.369 -12.123 12.382 1.00 0.00 H new ATOM 1125 N GLU A 74 50.259 -8.788 9.371 1.00 0.00 N ATOM 1126 CA GLU A 74 50.562 -7.994 8.187 1.00 0.00 C ATOM 1127 C GLU A 74 51.853 -7.209 8.388 1.00 0.00 C ATOM 1128 O GLU A 74 52.652 -7.044 7.469 1.00 0.00 O ATOM 1129 CB GLU A 74 49.413 -7.019 7.921 1.00 0.00 C ATOM 1130 CG GLU A 74 48.090 -7.652 8.351 1.00 0.00 C ATOM 1131 CD GLU A 74 46.922 -6.889 7.736 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.105 -7.520 7.085 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.861 -5.685 7.925 1.00 0.00 O ATOM 0 H GLU A 74 49.296 -8.712 9.699 1.00 0.00 H new ATOM 0 HA GLU A 74 50.685 -8.664 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.577 -6.090 8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.378 -6.764 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.058 -8.696 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.009 -7.642 9.438 1.00 0.00 H new ATOM 1140 N ALA A 75 52.022 -6.719 9.602 1.00 0.00 N ATOM 1141 CA ALA A 75 53.191 -5.921 9.967 1.00 0.00 C ATOM 1142 C ALA A 75 54.448 -6.765 10.057 1.00 0.00 C ATOM 1143 O ALA A 75 55.411 -6.510 9.351 1.00 0.00 O ATOM 1144 CB ALA A 75 52.929 -5.228 11.319 1.00 0.00 C ATOM 0 H ALA A 75 51.359 -6.859 10.364 1.00 0.00 H new ATOM 0 HA ALA A 75 53.351 -5.178 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.798 -4.631 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 75 52.056 -4.580 11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.747 -5.982 12.085 1.00 0.00 H new ATOM 1150 N LEU A 76 54.422 -7.761 10.918 1.00 0.00 N ATOM 1151 CA LEU A 76 55.563 -8.649 11.109 1.00 0.00 C ATOM 1152 C LEU A 76 55.743 -9.532 9.883 1.00 0.00 C ATOM 1153 O LEU A 76 56.846 -9.982 9.575 1.00 0.00 O ATOM 1154 CB LEU A 76 55.276 -9.473 12.366 1.00 0.00 C ATOM 1155 CG LEU A 76 55.933 -10.855 12.336 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.882 -11.424 13.760 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.169 -11.795 11.383 1.00 0.00 C ATOM 0 H LEU A 76 53.617 -7.982 11.505 1.00 0.00 H new ATOM 0 HA LEU A 76 56.492 -8.093 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.630 -8.927 13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.198 -9.591 12.478 1.00 0.00 H new ATOM 0 HG LEU A 76 56.961 -10.772 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.343 -12.411 13.774 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.422 -10.761 14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.844 -11.504 14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.650 -12.773 11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.139 -11.900 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.177 -11.377 10.376 1.00 0.00 H new ATOM 1169 N ALA A 77 54.642 -9.757 9.188 1.00 0.00 N ATOM 1170 CA ALA A 77 54.647 -10.573 7.981 1.00 0.00 C ATOM 1171 C ALA A 77 55.095 -9.746 6.777 1.00 0.00 C ATOM 1172 O ALA A 77 55.565 -10.291 5.776 1.00 0.00 O ATOM 1173 CB ALA A 77 53.235 -11.099 7.728 1.00 0.00 C ATOM 0 H ALA A 77 53.726 -9.384 9.439 1.00 0.00 H new ATOM 0 HA ALA A 77 55.341 -11.402 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.231 -11.711 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.914 -11.702 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.551 -10.260 7.600 1.00 0.00 H new ATOM 1179 N ALA A 78 54.953 -8.427 6.884 1.00 0.00 N ATOM 1180 CA ALA A 78 55.350 -7.536 5.799 1.00 0.00 C ATOM 1181 C ALA A 78 56.855 -7.337 5.841 1.00 0.00 C ATOM 1182 O ALA A 78 57.524 -7.280 4.806 1.00 0.00 O ATOM 1183 CB ALA A 78 54.634 -6.185 5.927 1.00 0.00 C ATOM 0 H ALA A 78 54.570 -7.956 7.703 1.00 0.00 H new ATOM 0 HA ALA A 78 55.069 -7.983 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.941 -5.532 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.556 -6.339 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.896 -5.723 6.879 1.00 0.00 H new ATOM 1189 N VAL A 79 57.385 -7.277 7.054 1.00 0.00 N ATOM 1190 CA VAL A 79 58.814 -7.132 7.240 1.00 0.00 C ATOM 1191 C VAL A 79 59.475 -8.398 6.744 1.00 0.00 C ATOM 1192 O VAL A 79 60.476 -8.365 6.042 1.00 0.00 O ATOM 1193 CB VAL A 79 59.141 -6.939 8.731 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.863 -6.674 9.505 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.790 -8.206 9.282 1.00 0.00 C ATOM 0 H VAL A 79 56.846 -7.327 7.919 1.00 0.00 H new ATOM 0 HA VAL A 79 59.175 -6.262 6.691 1.00 0.00 H new ATOM 0 HB VAL A 79 59.822 -6.094 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.098 -6.538 10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.385 -5.773 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.186 -7.521 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.021 -8.067 10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.104 -9.045 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.709 -8.412 8.734 1.00 0.00 H new ATOM 1205 N ILE A 80 58.887 -9.517 7.140 1.00 0.00 N ATOM 1206 CA ILE A 80 59.388 -10.813 6.766 1.00 0.00 C ATOM 1207 C ILE A 80 59.637 -10.849 5.295 1.00 0.00 C ATOM 1208 O ILE A 80 60.763 -11.030 4.860 1.00 0.00 O ATOM 1209 CB ILE A 80 58.388 -11.862 7.208 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.588 -12.043 8.715 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.611 -13.179 6.453 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.444 -13.271 8.993 1.00 0.00 C ATOM 0 H ILE A 80 58.053 -9.543 7.727 1.00 0.00 H new ATOM 0 HA ILE A 80 60.339 -11.021 7.257 1.00 0.00 H new ATOM 0 HB ILE A 80 57.366 -11.552 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.065 -11.157 9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.621 -12.147 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.882 -13.917 6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.492 -13.009 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.617 -13.547 6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.577 -13.386 10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.951 -14.157 8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.418 -13.151 8.518 1.00 0.00 H new ATOM 1224 N ALA A 81 58.610 -10.615 4.520 1.00 0.00 N ATOM 1225 CA ALA A 81 58.817 -10.577 3.095 1.00 0.00 C ATOM 1226 C ALA A 81 60.021 -9.705 2.828 1.00 0.00 C ATOM 1227 O ALA A 81 60.696 -9.846 1.810 1.00 0.00 O ATOM 1228 CB ALA A 81 57.620 -9.982 2.394 1.00 0.00 C ATOM 0 H ALA A 81 57.654 -10.453 4.836 1.00 0.00 H new ATOM 0 HA ALA A 81 58.967 -11.590 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.800 -9.964 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.738 -10.586 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.457 -8.965 2.752 1.00 0.00 H new ATOM 1234 N LEU A 82 60.300 -8.810 3.781 1.00 0.00 N ATOM 1235 CA LEU A 82 61.442 -7.938 3.658 1.00 0.00 C ATOM 1236 C LEU A 82 62.634 -8.597 4.329 1.00 0.00 C ATOM 1237 O LEU A 82 63.760 -8.521 3.840 1.00 0.00 O ATOM 1238 CB LEU A 82 61.138 -6.581 4.296 1.00 0.00 C ATOM 1239 CG LEU A 82 61.671 -5.464 3.393 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.168 -5.688 3.135 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.903 -5.471 2.058 1.00 0.00 C ATOM 0 H LEU A 82 59.751 -8.681 4.631 1.00 0.00 H new ATOM 0 HA LEU A 82 61.671 -7.769 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.064 -6.467 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.599 -6.518 5.282 1.00 0.00 H new ATOM 0 HG LEU A 82 61.530 -4.500 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.549 -4.894 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.706 -5.678 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.313 -6.651 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.282 -4.676 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.040 -6.433 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.842 -5.309 2.248 1.00 0.00 H new ATOM 1253 N PHE A 83 62.366 -9.269 5.445 1.00 0.00 N ATOM 1254 CA PHE A 83 63.414 -9.962 6.159 1.00 0.00 C ATOM 1255 C PHE A 83 63.777 -11.218 5.392 1.00 0.00 C ATOM 1256 O PHE A 83 64.932 -11.645 5.364 1.00 0.00 O ATOM 1257 CB PHE A 83 62.970 -10.306 7.576 1.00 0.00 C ATOM 1258 CG PHE A 83 63.121 -9.113 8.491 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.101 -7.799 7.988 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.287 -9.331 9.862 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.247 -6.721 8.864 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.432 -8.251 10.728 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.411 -6.954 10.231 1.00 0.00 C ATOM 0 H PHE A 83 61.439 -9.344 5.865 1.00 0.00 H new ATOM 0 HA PHE A 83 64.288 -9.316 6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.930 -10.633 7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.563 -11.138 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.973 -7.625 6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.303 -10.339 10.250 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.233 -5.710 8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.561 -8.421 11.787 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.522 -6.119 10.907 1.00 0.00 H new ATOM 1273 N ASN A 84 62.772 -11.773 4.740 1.00 0.00 N ATOM 1274 CA ASN A 84 62.949 -12.952 3.923 1.00 0.00 C ATOM 1275 C ASN A 84 63.716 -12.564 2.688 1.00 0.00 C ATOM 1276 O ASN A 84 64.375 -13.379 2.042 1.00 0.00 O ATOM 1277 CB ASN A 84 61.580 -13.509 3.528 1.00 0.00 C ATOM 1278 CG ASN A 84 61.623 -15.033 3.457 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.483 -15.600 2.784 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.740 -15.732 4.116 1.00 0.00 N ATOM 0 H ASN A 84 61.816 -11.419 4.764 1.00 0.00 H new ATOM 0 HA ASN A 84 63.495 -13.716 4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.830 -13.194 4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.280 -13.102 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.762 -16.751 4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.028 -15.260 4.673 1.00 0.00 H new ATOM 1287 N SER A 85 63.610 -11.294 2.389 1.00 0.00 N ATOM 1288 CA SER A 85 64.290 -10.729 1.224 1.00 0.00 C ATOM 1289 C SER A 85 65.802 -10.751 1.426 1.00 0.00 C ATOM 1290 O SER A 85 66.478 -9.973 0.775 1.00 0.00 O ATOM 1291 CB SER A 85 63.831 -9.292 0.980 1.00 0.00 C ATOM 1292 OG SER A 85 64.667 -8.401 1.705 1.00 0.00 O ATOM 1293 OXT SER A 85 66.260 -11.547 2.229 1.00 0.00 O ATOM 0 H SER A 85 63.063 -10.623 2.928 1.00 0.00 H new ATOM 0 HA SER A 85 64.035 -11.338 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 85 63.871 -9.061 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.794 -9.171 1.293 1.00 0.00 H new ATOM 0 HG SER A 85 64.587 -8.585 2.664 1.00 0.00 H new