USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 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 Set 1.1: A 47 ASN :FLIP amide:sc= -0.133 F(o=-1.8,f=0.55) USER MOD Set 1.2: A 48 SER OG : rot 43:sc= 0.679 USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.814 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -0.926 (180deg=-1.34) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.23 F(o=-3.6!,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 21 MET CE :methyl 152:sc= -0.294 (180deg=-1.52!) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0091 (180deg=-0.182) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.339 F(o=-2.3,f=-0.34) USER MOD Single : A 38 ASN : amide:sc= -11! C(o=-11!,f=-19!) USER MOD Single : A 42 THR OG1 : 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 -33:sc= 0.112 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -1.89 (180deg=-2.37!) USER MOD Single : A 62 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.21) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 71 GLN : amide:sc= -5.1! C(o=-5.1!,f=-7.3!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 85 SER OG : rot -4:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.729 -13.053 19.541 1.00 0.00 N ATOM 21 CA THR A 2 51.132 -12.656 19.429 1.00 0.00 C ATOM 22 C THR A 2 51.824 -13.416 18.305 1.00 0.00 C ATOM 23 O THR A 2 51.482 -14.565 18.027 1.00 0.00 O ATOM 24 CB THR A 2 51.868 -12.956 20.743 1.00 0.00 C ATOM 25 OG1 THR A 2 50.928 -13.352 21.731 1.00 0.00 O ATOM 26 CG2 THR A 2 52.615 -11.710 21.219 1.00 0.00 C ATOM 0 HA THR A 2 51.161 -11.588 19.214 1.00 0.00 H new ATOM 0 HB THR A 2 52.585 -13.760 20.577 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.094 -13.629 21.297 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.134 -11.931 22.151 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.340 -11.409 20.463 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.904 -10.900 21.383 1.00 0.00 H new ATOM 34 N VAL A 3 52.827 -12.794 17.687 1.00 0.00 N ATOM 35 CA VAL A 3 53.569 -13.449 16.651 1.00 0.00 C ATOM 36 C VAL A 3 55.012 -13.094 16.791 1.00 0.00 C ATOM 37 O VAL A 3 55.369 -11.938 17.008 1.00 0.00 O ATOM 38 CB VAL A 3 53.101 -13.035 15.283 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.953 -13.934 14.871 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.649 -11.574 15.313 1.00 0.00 C ATOM 0 H VAL A 3 53.131 -11.843 17.896 1.00 0.00 H new ATOM 0 HA VAL A 3 53.417 -14.523 16.754 1.00 0.00 H new ATOM 0 HB VAL A 3 53.914 -13.130 14.563 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.603 -13.646 13.880 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.292 -14.970 14.849 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.138 -13.834 15.587 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.311 -11.277 14.320 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.831 -11.461 16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.483 -10.941 15.616 1.00 0.00 H new ATOM 50 N LYS A 4 55.827 -14.097 16.671 1.00 0.00 N ATOM 51 CA LYS A 4 57.235 -13.920 16.789 1.00 0.00 C ATOM 52 C LYS A 4 57.958 -14.971 15.994 1.00 0.00 C ATOM 53 O LYS A 4 57.589 -16.145 16.010 1.00 0.00 O ATOM 54 CB LYS A 4 57.638 -13.994 18.244 1.00 0.00 C ATOM 55 CG LYS A 4 57.108 -15.297 18.876 1.00 0.00 C ATOM 56 CD LYS A 4 55.938 -15.006 19.840 1.00 0.00 C ATOM 57 CE LYS A 4 54.598 -14.959 19.082 1.00 0.00 C ATOM 58 NZ LYS A 4 53.586 -15.762 19.826 1.00 0.00 N ATOM 0 H LYS A 4 55.533 -15.057 16.489 1.00 0.00 H new ATOM 0 HA LYS A 4 57.506 -12.940 16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.724 -13.954 18.331 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.243 -13.133 18.783 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.777 -15.978 18.092 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.912 -15.798 19.415 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.897 -15.775 20.611 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.107 -14.056 20.347 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.259 -13.928 18.981 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.723 -15.353 18.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.655 -15.651 19.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.860 -16.765 19.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.535 -15.430 20.810 1.00 0.00 H new ATOM 72 N GLN A 5 58.966 -14.543 15.267 1.00 0.00 N ATOM 73 CA GLN A 5 59.697 -15.471 14.430 1.00 0.00 C ATOM 74 C GLN A 5 61.170 -15.116 14.325 1.00 0.00 C ATOM 75 O GLN A 5 61.564 -13.960 14.440 1.00 0.00 O ATOM 76 CB GLN A 5 59.082 -15.446 13.047 1.00 0.00 C ATOM 77 CG GLN A 5 57.558 -15.357 13.169 1.00 0.00 C ATOM 78 CD GLN A 5 56.919 -15.481 11.790 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.008 -14.487 10.949 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.324 -16.511 11.470 1.00 0.00 N flip ATOM 0 H GLN A 5 59.295 -13.578 15.237 1.00 0.00 H new ATOM 0 HA GLN A 5 59.632 -16.462 14.880 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.463 -14.595 12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.362 -16.344 12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.190 -16.148 13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.276 -14.409 13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.256 -17.286 12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.899 -16.589 10.546 1.00 0.00 H new ATOM 89 N THR A 6 61.972 -16.128 14.083 1.00 0.00 N ATOM 90 CA THR A 6 63.390 -15.948 13.932 1.00 0.00 C ATOM 91 C THR A 6 63.758 -15.993 12.457 1.00 0.00 C ATOM 92 O THR A 6 63.754 -17.058 11.841 1.00 0.00 O ATOM 93 CB THR A 6 64.121 -17.053 14.687 1.00 0.00 C ATOM 94 OG1 THR A 6 63.429 -17.338 15.895 1.00 0.00 O ATOM 95 CG2 THR A 6 65.533 -16.592 15.004 1.00 0.00 C ATOM 0 H THR A 6 61.657 -17.093 13.986 1.00 0.00 H new ATOM 0 HA THR A 6 63.682 -14.980 14.339 1.00 0.00 H new ATOM 0 HB THR A 6 64.161 -17.953 14.074 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.897 -18.049 16.380 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.060 -17.379 15.544 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.061 -16.372 14.076 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.493 -15.694 15.620 1.00 0.00 H new ATOM 103 N VAL A 7 64.064 -14.831 11.889 1.00 0.00 N ATOM 104 CA VAL A 7 64.418 -14.769 10.470 1.00 0.00 C ATOM 105 C VAL A 7 65.935 -14.732 10.280 1.00 0.00 C ATOM 106 O VAL A 7 66.604 -13.790 10.703 1.00 0.00 O ATOM 107 CB VAL A 7 63.788 -13.520 9.823 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.441 -13.791 8.349 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.514 -13.134 10.583 1.00 0.00 C ATOM 0 H VAL A 7 64.075 -13.934 12.375 1.00 0.00 H new ATOM 0 HA VAL A 7 64.031 -15.667 9.988 1.00 0.00 H new ATOM 0 HB VAL A 7 64.508 -12.703 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.997 -12.898 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.348 -14.052 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.731 -14.616 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.070 -12.251 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.803 -13.959 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.762 -12.917 11.622 1.00 0.00 H new ATOM 119 N GLU A 8 66.468 -15.751 9.615 1.00 0.00 N ATOM 120 CA GLU A 8 67.901 -15.806 9.350 1.00 0.00 C ATOM 121 C GLU A 8 68.224 -14.868 8.196 1.00 0.00 C ATOM 122 O GLU A 8 67.532 -14.881 7.178 1.00 0.00 O ATOM 123 CB GLU A 8 68.318 -17.235 8.995 1.00 0.00 C ATOM 124 CG GLU A 8 68.160 -18.132 10.224 1.00 0.00 C ATOM 125 CD GLU A 8 68.569 -19.561 9.884 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.863 -19.813 8.727 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.582 -20.383 10.786 1.00 0.00 O ATOM 0 H GLU A 8 65.936 -16.542 9.253 1.00 0.00 H new ATOM 0 HA GLU A 8 68.449 -15.498 10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.705 -17.611 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.352 -17.249 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.774 -17.754 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.126 -18.113 10.567 1.00 0.00 H new ATOM 134 N ILE A 9 69.250 -14.033 8.355 1.00 0.00 N ATOM 135 CA ILE A 9 69.592 -13.082 7.299 1.00 0.00 C ATOM 136 C ILE A 9 70.918 -13.397 6.639 1.00 0.00 C ATOM 137 O ILE A 9 71.793 -14.051 7.205 1.00 0.00 O ATOM 138 CB ILE A 9 69.692 -11.636 7.841 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.510 -11.600 9.372 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.654 -10.751 7.152 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.596 -10.443 9.780 1.00 0.00 C ATOM 0 H ILE A 9 69.845 -13.994 9.182 1.00 0.00 H new ATOM 0 HA ILE A 9 68.785 -13.169 6.571 1.00 0.00 H new ATOM 0 HB ILE A 9 70.688 -11.252 7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.086 -12.544 9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.480 -11.492 9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 9 68.729 -9.734 7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 9 68.836 -10.746 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.655 -11.141 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.481 -10.435 10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.036 -9.500 9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.620 -10.568 9.312 1.00 0.00 H new ATOM 311 N ALA A 20 62.245 -1.601 7.523 1.00 0.00 N ATOM 312 CA ALA A 20 62.290 -1.751 8.967 1.00 0.00 C ATOM 313 C ALA A 20 61.564 -0.603 9.642 1.00 0.00 C ATOM 314 O ALA A 20 60.996 -0.762 10.719 1.00 0.00 O ATOM 315 CB ALA A 20 63.754 -1.764 9.415 1.00 0.00 C ATOM 0 HA ALA A 20 61.801 -2.684 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.802 -1.876 10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.272 -2.597 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.231 -0.828 9.126 1.00 0.00 H new ATOM 321 N MET A 21 61.608 0.561 9.014 1.00 0.00 N ATOM 322 CA MET A 21 60.965 1.728 9.575 1.00 0.00 C ATOM 323 C MET A 21 59.476 1.741 9.257 1.00 0.00 C ATOM 324 O MET A 21 58.670 2.166 10.085 1.00 0.00 O ATOM 325 CB MET A 21 61.656 2.980 9.061 1.00 0.00 C ATOM 326 CG MET A 21 63.076 3.004 9.631 1.00 0.00 C ATOM 327 SD MET A 21 63.962 4.443 8.984 1.00 0.00 S ATOM 328 CE MET A 21 62.900 5.714 9.714 1.00 0.00 C ATOM 0 H MET A 21 62.079 0.718 8.123 1.00 0.00 H new ATOM 0 HA MET A 21 61.056 1.699 10.661 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.683 2.980 7.971 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.107 3.871 9.367 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.042 3.044 10.720 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.603 2.088 9.362 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.481 6.621 9.881 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.074 5.931 9.037 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.505 5.356 10.665 1.00 0.00 H new ATOM 338 N LYS A 22 59.095 1.248 8.079 1.00 0.00 N ATOM 339 CA LYS A 22 57.675 1.202 7.741 1.00 0.00 C ATOM 340 C LYS A 22 56.933 0.596 8.911 1.00 0.00 C ATOM 341 O LYS A 22 55.929 1.129 9.361 1.00 0.00 O ATOM 342 CB LYS A 22 57.422 0.362 6.490 1.00 0.00 C ATOM 343 CG LYS A 22 58.465 0.708 5.443 1.00 0.00 C ATOM 344 CD LYS A 22 58.313 2.174 5.027 1.00 0.00 C ATOM 345 CE LYS A 22 59.071 2.417 3.720 1.00 0.00 C ATOM 346 NZ LYS A 22 58.292 1.855 2.581 1.00 0.00 N ATOM 0 H LYS A 22 59.726 0.886 7.364 1.00 0.00 H new ATOM 0 HA LYS A 22 57.327 2.214 7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.470 -0.699 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.422 0.555 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.465 0.535 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.351 0.060 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.259 2.419 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.699 2.827 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.231 3.485 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.055 1.951 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.642 2.258 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.403 0.821 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.286 2.093 2.697 1.00 0.00 H new ATOM 360 N LEU A 23 57.485 -0.497 9.433 1.00 0.00 N ATOM 361 CA LEU A 23 56.921 -1.170 10.590 1.00 0.00 C ATOM 362 C LEU A 23 56.289 -0.129 11.491 1.00 0.00 C ATOM 363 O LEU A 23 55.241 -0.339 12.099 1.00 0.00 O ATOM 364 CB LEU A 23 58.080 -1.815 11.347 1.00 0.00 C ATOM 365 CG LEU A 23 58.218 -3.304 11.024 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.900 -3.503 9.659 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.078 -3.936 12.112 1.00 0.00 C ATOM 0 H LEU A 23 58.330 -0.935 9.066 1.00 0.00 H new ATOM 0 HA LEU A 23 56.179 -1.910 10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.008 -1.302 11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.927 -1.689 12.419 1.00 0.00 H new ATOM 0 HG LEU A 23 57.231 -3.766 10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.988 -4.569 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.303 -3.028 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.893 -3.054 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.196 -5.001 11.910 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.058 -3.459 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.596 -3.801 13.081 1.00 0.00 H new ATOM 379 N PHE A 24 56.975 0.993 11.563 1.00 0.00 N ATOM 380 CA PHE A 24 56.546 2.105 12.381 1.00 0.00 C ATOM 381 C PHE A 24 55.439 2.892 11.668 1.00 0.00 C ATOM 382 O PHE A 24 54.293 2.948 12.130 1.00 0.00 O ATOM 383 CB PHE A 24 57.758 3.000 12.640 1.00 0.00 C ATOM 384 CG PHE A 24 59.014 2.163 12.861 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.272 2.774 12.764 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.938 0.786 13.150 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.438 2.024 12.948 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.105 0.044 13.331 1.00 0.00 C ATOM 389 CZ PHE A 24 61.352 0.660 13.227 1.00 0.00 C ATOM 0 H PHE A 24 57.845 1.158 11.056 1.00 0.00 H new ATOM 0 HA PHE A 24 56.142 1.743 13.327 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.907 3.671 11.794 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.574 3.625 13.514 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.341 3.830 12.546 1.00 0.00 H new ATOM 0 HD2 PHE A 24 57.975 0.304 13.231 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.404 2.501 12.874 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.043 -1.011 13.552 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.253 0.080 13.363 1.00 0.00 H new ATOM 399 N GLU A 25 55.772 3.463 10.516 1.00 0.00 N ATOM 400 CA GLU A 25 54.782 4.206 9.743 1.00 0.00 C ATOM 401 C GLU A 25 53.643 3.271 9.385 1.00 0.00 C ATOM 402 O GLU A 25 52.515 3.696 9.140 1.00 0.00 O ATOM 403 CB GLU A 25 55.412 4.781 8.473 1.00 0.00 C ATOM 404 CG GLU A 25 56.462 5.828 8.851 1.00 0.00 C ATOM 405 CD GLU A 25 57.177 6.324 7.599 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.089 7.509 7.321 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.802 5.513 6.937 1.00 0.00 O ATOM 0 H GLU A 25 56.703 3.428 10.101 1.00 0.00 H new ATOM 0 HA GLU A 25 54.406 5.038 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.872 3.983 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.643 5.232 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.986 6.664 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.183 5.397 9.545 1.00 0.00 H new ATOM 414 N LEU A 26 53.957 1.987 9.393 1.00 0.00 N ATOM 415 CA LEU A 26 52.982 0.957 9.112 1.00 0.00 C ATOM 416 C LEU A 26 52.226 0.661 10.391 1.00 0.00 C ATOM 417 O LEU A 26 51.063 0.271 10.363 1.00 0.00 O ATOM 418 CB LEU A 26 53.695 -0.285 8.562 1.00 0.00 C ATOM 419 CG LEU A 26 52.874 -1.541 8.814 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.945 -1.876 10.310 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.414 -1.328 8.349 1.00 0.00 C ATOM 0 H LEU A 26 54.893 1.634 9.594 1.00 0.00 H new ATOM 0 HA LEU A 26 52.269 1.283 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.866 -0.167 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.673 -0.385 9.032 1.00 0.00 H new ATOM 0 HG LEU A 26 53.276 -2.378 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.361 -2.775 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.983 -2.046 10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.541 -1.045 10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.837 -2.234 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.974 -0.498 8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.401 -1.102 7.283 1.00 0.00 H new ATOM 433 N MET A 27 52.884 0.888 11.524 1.00 0.00 N ATOM 434 CA MET A 27 52.230 0.677 12.801 1.00 0.00 C ATOM 435 C MET A 27 50.933 1.452 12.752 1.00 0.00 C ATOM 436 O MET A 27 49.913 1.038 13.301 1.00 0.00 O ATOM 437 CB MET A 27 53.118 1.153 13.961 1.00 0.00 C ATOM 438 CG MET A 27 52.776 2.596 14.345 1.00 0.00 C ATOM 439 SD MET A 27 54.070 3.256 15.425 1.00 0.00 S ATOM 440 CE MET A 27 53.389 2.657 16.991 1.00 0.00 C ATOM 0 H MET A 27 53.850 1.211 11.580 1.00 0.00 H new ATOM 0 HA MET A 27 52.043 -0.383 12.974 1.00 0.00 H new ATOM 0 HB2 MET A 27 52.981 0.500 14.823 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.167 1.086 13.674 1.00 0.00 H new ATOM 0 HG2 MET A 27 52.687 3.211 13.449 1.00 0.00 H new ATOM 0 HG3 MET A 27 51.812 2.630 14.852 1.00 0.00 H new ATOM 0 HE1 MET A 27 54.042 2.958 17.810 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.397 3.082 17.143 1.00 0.00 H new ATOM 0 HE3 MET A 27 53.317 1.570 16.964 1.00 0.00 H new ATOM 450 N GLN A 28 50.981 2.572 12.031 1.00 0.00 N ATOM 451 CA GLN A 28 49.788 3.385 11.853 1.00 0.00 C ATOM 452 C GLN A 28 48.816 2.607 10.975 1.00 0.00 C ATOM 453 O GLN A 28 47.617 2.887 10.942 1.00 0.00 O ATOM 454 CB GLN A 28 50.137 4.722 11.193 1.00 0.00 C ATOM 455 CG GLN A 28 50.801 5.645 12.217 1.00 0.00 C ATOM 456 CD GLN A 28 49.787 6.079 13.271 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.514 5.879 13.063 1.00 0.00 O flip ATOM 458 NE2 GLN A 28 50.165 6.615 14.313 1.00 0.00 N flip ATOM 0 H GLN A 28 51.818 2.929 11.570 1.00 0.00 H new ATOM 0 HA GLN A 28 49.339 3.600 12.823 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.807 4.558 10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.235 5.190 10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.635 5.130 12.694 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.212 6.521 11.715 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.160 6.771 14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.483 6.903 15.015 1.00 0.00 H new ATOM 467 N GLY A 29 49.360 1.603 10.284 1.00 0.00 N ATOM 468 CA GLY A 29 48.563 0.738 9.413 1.00 0.00 C ATOM 469 C GLY A 29 48.085 -0.479 10.196 1.00 0.00 C ATOM 470 O GLY A 29 46.887 -0.754 10.269 1.00 0.00 O ATOM 0 H GLY A 29 50.352 1.369 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.708 1.289 9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.158 0.421 8.556 1.00 0.00 H new ATOM 474 N PHE A 30 49.033 -1.176 10.818 1.00 0.00 N ATOM 475 CA PHE A 30 48.706 -2.336 11.644 1.00 0.00 C ATOM 476 C PHE A 30 48.866 -1.944 13.102 1.00 0.00 C ATOM 477 O PHE A 30 49.834 -1.276 13.463 1.00 0.00 O ATOM 478 CB PHE A 30 49.644 -3.524 11.392 1.00 0.00 C ATOM 479 CG PHE A 30 49.754 -3.882 9.929 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.619 -4.056 9.135 1.00 0.00 C ATOM 481 CD2 PHE A 30 51.017 -4.091 9.384 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.764 -4.437 7.794 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.169 -4.464 8.054 1.00 0.00 C ATOM 484 CZ PHE A 30 50.044 -4.640 7.252 1.00 0.00 C ATOM 0 H PHE A 30 50.028 -0.960 10.767 1.00 0.00 H new ATOM 0 HA PHE A 30 47.688 -2.637 11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.635 -3.287 11.779 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.284 -4.390 11.947 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.635 -3.898 9.552 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.892 -3.961 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.889 -4.575 7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.156 -4.617 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.155 -4.931 6.218 1.00 0.00 H new ATOM 494 N ASP A 31 47.955 -2.391 13.951 1.00 0.00 N ATOM 495 CA ASP A 31 48.070 -2.102 15.360 1.00 0.00 C ATOM 496 C ASP A 31 48.789 -3.271 15.972 1.00 0.00 C ATOM 497 O ASP A 31 48.207 -4.337 16.165 1.00 0.00 O ATOM 498 CB ASP A 31 46.693 -1.922 15.992 1.00 0.00 C ATOM 499 CG ASP A 31 46.838 -1.541 17.462 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.880 -1.716 18.196 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.906 -1.081 17.831 1.00 0.00 O ATOM 0 H ASP A 31 47.141 -2.947 13.689 1.00 0.00 H new ATOM 0 HA ASP A 31 48.614 -1.173 15.527 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.138 -1.149 15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.119 -2.844 15.902 1.00 0.00 H new ATOM 506 N ALA A 32 50.072 -3.096 16.222 1.00 0.00 N ATOM 507 CA ALA A 32 50.850 -4.167 16.746 1.00 0.00 C ATOM 508 C ALA A 32 52.205 -3.663 17.170 1.00 0.00 C ATOM 509 O ALA A 32 52.730 -2.694 16.621 1.00 0.00 O ATOM 510 CB ALA A 32 50.995 -5.241 15.684 1.00 0.00 C ATOM 0 H ALA A 32 50.581 -2.226 16.068 1.00 0.00 H new ATOM 0 HA ALA A 32 50.352 -4.588 17.619 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.590 -6.065 16.078 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.009 -5.609 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.491 -4.822 14.808 1.00 0.00 H new ATOM 516 N GLU A 33 52.751 -4.323 18.157 1.00 0.00 N ATOM 517 CA GLU A 33 54.033 -3.962 18.687 1.00 0.00 C ATOM 518 C GLU A 33 55.069 -4.949 18.215 1.00 0.00 C ATOM 519 O GLU A 33 55.337 -5.966 18.853 1.00 0.00 O ATOM 520 CB GLU A 33 53.919 -3.965 20.186 1.00 0.00 C ATOM 521 CG GLU A 33 54.554 -2.697 20.736 1.00 0.00 C ATOM 522 CD GLU A 33 54.653 -2.770 22.255 1.00 0.00 C ATOM 523 OE1 GLU A 33 54.300 -3.801 22.804 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.081 -1.794 22.849 1.00 0.00 O ATOM 0 H GLU A 33 52.317 -5.125 18.614 1.00 0.00 H new ATOM 0 HA GLU A 33 54.340 -2.974 18.345 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.872 -4.021 20.483 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.415 -4.843 20.599 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.547 -2.564 20.306 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.961 -1.830 20.445 1.00 0.00 H new ATOM 531 N VAL A 34 55.623 -4.629 17.075 1.00 0.00 N ATOM 532 CA VAL A 34 56.624 -5.476 16.451 1.00 0.00 C ATOM 533 C VAL A 34 57.978 -5.281 17.098 1.00 0.00 C ATOM 534 O VAL A 34 58.581 -4.216 16.973 1.00 0.00 O ATOM 535 CB VAL A 34 56.762 -5.144 14.964 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.325 -6.359 14.208 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.402 -4.746 14.387 1.00 0.00 C ATOM 0 H VAL A 34 55.400 -3.783 16.551 1.00 0.00 H new ATOM 0 HA VAL A 34 56.296 -6.508 16.578 1.00 0.00 H new ATOM 0 HB VAL A 34 57.450 -4.306 14.848 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.421 -6.117 13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.304 -6.617 14.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.649 -7.206 14.326 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.511 -4.512 13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.701 -5.572 14.506 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.025 -3.871 14.916 1.00 0.00 H new ATOM 547 N LEU A 35 58.472 -6.310 17.770 1.00 0.00 N ATOM 548 CA LEU A 35 59.774 -6.207 18.397 1.00 0.00 C ATOM 549 C LEU A 35 60.806 -6.996 17.600 1.00 0.00 C ATOM 550 O LEU A 35 60.621 -8.180 17.315 1.00 0.00 O ATOM 551 CB LEU A 35 59.716 -6.715 19.835 1.00 0.00 C ATOM 552 CG LEU A 35 61.136 -6.857 20.401 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.068 -6.856 21.928 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.782 -8.171 19.917 1.00 0.00 C ATOM 0 H LEU A 35 58.001 -7.206 17.892 1.00 0.00 H new ATOM 0 HA LEU A 35 60.069 -5.158 18.412 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.138 -6.025 20.450 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.205 -7.677 19.869 1.00 0.00 H new ATOM 0 HG LEU A 35 61.742 -6.021 20.052 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.073 -6.957 22.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.628 -5.920 22.272 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.454 -7.691 22.265 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.788 -8.255 20.328 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.182 -9.017 20.252 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.834 -8.172 18.828 1.00 0.00 H new ATOM 566 N LEU A 36 61.886 -6.321 17.233 1.00 0.00 N ATOM 567 CA LEU A 36 62.957 -6.934 16.455 1.00 0.00 C ATOM 568 C LEU A 36 64.179 -7.216 17.320 1.00 0.00 C ATOM 569 O LEU A 36 64.644 -6.338 18.033 1.00 0.00 O ATOM 570 CB LEU A 36 63.374 -5.968 15.355 1.00 0.00 C ATOM 571 CG LEU A 36 62.437 -6.102 14.155 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.981 -6.023 14.621 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.712 -4.961 13.182 1.00 0.00 C ATOM 0 H LEU A 36 62.046 -5.340 17.463 1.00 0.00 H new ATOM 0 HA LEU A 36 62.587 -7.874 16.046 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.352 -4.945 15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.400 -6.173 15.050 1.00 0.00 H new ATOM 0 HG LEU A 36 62.607 -7.062 13.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.318 -6.119 13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.780 -6.830 15.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.806 -5.064 15.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.048 -5.048 12.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.537 -4.008 13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.748 -5.010 12.847 1.00 0.00 H new ATOM 585 N ARG A 37 64.715 -8.429 17.244 1.00 0.00 N ATOM 586 CA ARG A 37 65.889 -8.761 18.009 1.00 0.00 C ATOM 587 C ARG A 37 66.756 -9.763 17.290 1.00 0.00 C ATOM 588 O ARG A 37 66.311 -10.462 16.391 1.00 0.00 O ATOM 589 CB ARG A 37 65.520 -9.323 19.371 1.00 0.00 C ATOM 590 CG ARG A 37 64.826 -10.680 19.232 1.00 0.00 C ATOM 591 CD ARG A 37 65.233 -11.597 20.401 1.00 0.00 C ATOM 592 NE ARG A 37 64.179 -12.573 20.706 1.00 0.00 N ATOM 593 CZ ARG A 37 62.917 -12.219 20.933 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.009 -13.138 21.116 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.589 -10.960 21.011 1.00 0.00 N ATOM 0 H ARG A 37 64.352 -9.185 16.664 1.00 0.00 H new ATOM 0 HA ARG A 37 66.446 -7.833 18.138 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.418 -9.430 19.980 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.863 -8.626 19.891 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.744 -10.546 19.222 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.098 -11.142 18.283 1.00 0.00 H new ATOM 0 HD2 ARG A 37 66.155 -12.121 20.151 1.00 0.00 H new ATOM 0 HD3 ARG A 37 65.439 -10.993 21.285 1.00 0.00 H new ATOM 0 HE ARG A 37 64.424 -13.562 20.745 1.00 0.00 H new ATOM 0 HH11 ARG A 37 62.268 -14.124 21.085 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.040 -12.870 21.290 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.302 -10.239 20.898 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.619 -10.695 21.185 1.00 0.00 H new ATOM 609 N ASN A 38 67.991 -9.840 17.732 1.00 0.00 N ATOM 610 CA ASN A 38 68.940 -10.779 17.165 1.00 0.00 C ATOM 611 C ASN A 38 69.184 -11.924 18.123 1.00 0.00 C ATOM 612 O ASN A 38 69.399 -11.704 19.322 1.00 0.00 O ATOM 613 CB ASN A 38 70.286 -10.128 16.916 1.00 0.00 C ATOM 614 CG ASN A 38 70.162 -8.826 16.171 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.091 -8.470 15.688 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.222 -8.087 16.063 1.00 0.00 N ATOM 0 H ASN A 38 68.365 -9.263 18.485 1.00 0.00 H new ATOM 0 HA ASN A 38 68.509 -11.128 16.227 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.784 -9.952 17.870 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.918 -10.811 16.347 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.174 -7.195 15.571 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.104 -8.398 16.470 1.00 0.00 H new ATOM 623 N ASP A 39 69.205 -13.134 17.581 1.00 0.00 N ATOM 624 CA ASP A 39 69.475 -14.312 18.395 1.00 0.00 C ATOM 625 C ASP A 39 70.753 -14.089 19.196 1.00 0.00 C ATOM 626 O ASP A 39 71.117 -14.893 20.055 1.00 0.00 O ATOM 627 CB ASP A 39 69.627 -15.549 17.507 1.00 0.00 C ATOM 628 CG ASP A 39 70.136 -16.727 18.332 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.577 -16.968 19.389 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.076 -17.369 17.895 1.00 0.00 O ATOM 0 H ASP A 39 69.040 -13.325 16.593 1.00 0.00 H new ATOM 0 HA ASP A 39 68.640 -14.475 19.076 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.669 -15.800 17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.320 -15.339 16.693 1.00 0.00 H new ATOM 635 N GLU A 40 71.421 -12.976 18.907 1.00 0.00 N ATOM 636 CA GLU A 40 72.652 -12.619 19.595 1.00 0.00 C ATOM 637 C GLU A 40 72.331 -12.121 20.994 1.00 0.00 C ATOM 638 O GLU A 40 73.189 -12.106 21.876 1.00 0.00 O ATOM 639 CB GLU A 40 73.353 -11.491 18.834 1.00 0.00 C ATOM 640 CG GLU A 40 74.073 -12.046 17.605 1.00 0.00 C ATOM 641 CD GLU A 40 75.210 -12.970 18.031 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.289 -14.064 17.498 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.985 -12.568 18.883 1.00 0.00 O ATOM 0 H GLU A 40 71.127 -12.305 18.197 1.00 0.00 H new ATOM 0 HA GLU A 40 73.295 -13.498 19.648 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.623 -10.741 18.528 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.068 -10.992 19.488 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.368 -12.591 16.977 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.467 -11.226 17.004 1.00 0.00 H new ATOM 650 N GLY A 41 71.090 -11.692 21.174 1.00 0.00 N ATOM 651 CA GLY A 41 70.648 -11.162 22.452 1.00 0.00 C ATOM 652 C GLY A 41 70.326 -9.685 22.303 1.00 0.00 C ATOM 653 O GLY A 41 69.965 -9.014 23.270 1.00 0.00 O ATOM 0 H GLY A 41 70.372 -11.701 20.449 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.768 -11.704 22.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.424 -11.302 23.204 1.00 0.00 H new ATOM 657 N THR A 42 70.449 -9.185 21.073 1.00 0.00 N ATOM 658 CA THR A 42 70.151 -7.776 20.804 1.00 0.00 C ATOM 659 C THR A 42 68.663 -7.620 20.533 1.00 0.00 C ATOM 660 O THR A 42 68.113 -8.320 19.689 1.00 0.00 O ATOM 661 CB THR A 42 70.955 -7.268 19.601 1.00 0.00 C ATOM 662 OG1 THR A 42 72.288 -6.991 20.007 1.00 0.00 O ATOM 663 CG2 THR A 42 70.311 -5.990 19.053 1.00 0.00 C ATOM 0 H THR A 42 70.747 -9.723 20.259 1.00 0.00 H new ATOM 0 HA THR A 42 70.432 -7.185 21.676 1.00 0.00 H new ATOM 0 HB THR A 42 70.962 -8.031 18.822 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.804 -6.668 19.239 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.884 -5.631 18.198 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.289 -6.203 18.741 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.301 -5.226 19.830 1.00 0.00 H new ATOM 671 N GLU A 43 68.012 -6.712 21.260 1.00 0.00 N ATOM 672 CA GLU A 43 66.574 -6.505 21.091 1.00 0.00 C ATOM 673 C GLU A 43 66.247 -5.099 20.611 1.00 0.00 C ATOM 674 O GLU A 43 66.739 -4.112 21.158 1.00 0.00 O ATOM 675 CB GLU A 43 65.853 -6.768 22.414 1.00 0.00 C ATOM 676 CG GLU A 43 66.256 -8.144 22.950 1.00 0.00 C ATOM 677 CD GLU A 43 65.567 -8.406 24.285 1.00 0.00 C ATOM 678 OE1 GLU A 43 64.408 -8.788 24.266 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.207 -8.221 25.306 1.00 0.00 O ATOM 0 H GLU A 43 68.450 -6.116 21.962 1.00 0.00 H new ATOM 0 HA GLU A 43 66.234 -7.205 20.328 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.107 -5.995 23.139 1.00 0.00 H new ATOM 0 HB3 GLU A 43 64.774 -6.725 22.267 1.00 0.00 H new ATOM 0 HG2 GLU A 43 65.982 -8.917 22.232 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.338 -8.193 23.074 1.00 0.00 H new ATOM 686 N ALA A 44 65.406 -5.021 19.578 1.00 0.00 N ATOM 687 CA ALA A 44 65.007 -3.740 19.020 1.00 0.00 C ATOM 688 C ALA A 44 63.491 -3.622 18.912 1.00 0.00 C ATOM 689 O ALA A 44 62.848 -4.397 18.206 1.00 0.00 O ATOM 690 CB ALA A 44 65.604 -3.587 17.627 1.00 0.00 C ATOM 0 H ALA A 44 64.992 -5.831 19.116 1.00 0.00 H new ATOM 0 HA ALA A 44 65.371 -2.959 19.687 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.306 -2.627 17.207 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.691 -3.634 17.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.243 -4.391 16.986 1.00 0.00 H new ATOM 696 N GLU A 45 62.932 -2.622 19.581 1.00 0.00 N ATOM 697 CA GLU A 45 61.497 -2.385 19.516 1.00 0.00 C ATOM 698 C GLU A 45 61.195 -1.553 18.276 1.00 0.00 C ATOM 699 O GLU A 45 61.608 -0.397 18.183 1.00 0.00 O ATOM 700 CB GLU A 45 61.025 -1.644 20.774 1.00 0.00 C ATOM 701 CG GLU A 45 59.956 -2.469 21.498 1.00 0.00 C ATOM 702 CD GLU A 45 59.382 -1.670 22.663 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.158 -1.244 23.502 1.00 0.00 O ATOM 704 OE2 GLU A 45 58.175 -1.496 22.698 1.00 0.00 O ATOM 0 H GLU A 45 63.446 -1.967 20.170 1.00 0.00 H new ATOM 0 HA GLU A 45 60.970 -3.337 19.460 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.870 -1.465 21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.621 -0.669 20.502 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.160 -2.738 20.804 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.389 -3.400 21.863 1.00 0.00 H new ATOM 711 N ALA A 46 60.497 -2.156 17.319 1.00 0.00 N ATOM 712 CA ALA A 46 60.163 -1.481 16.068 1.00 0.00 C ATOM 713 C ALA A 46 60.264 0.045 16.175 1.00 0.00 C ATOM 714 O ALA A 46 61.299 0.635 15.866 1.00 0.00 O ATOM 715 CB ALA A 46 58.743 -1.859 15.646 1.00 0.00 C ATOM 0 H ALA A 46 60.151 -3.113 17.385 1.00 0.00 H new ATOM 0 HA ALA A 46 60.889 -1.808 15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.495 -1.355 14.712 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.681 -2.938 15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.040 -1.554 16.421 1.00 0.00 H new ATOM 721 N ASN A 47 59.161 0.662 16.583 1.00 0.00 N ATOM 722 CA ASN A 47 59.069 2.118 16.710 1.00 0.00 C ATOM 723 C ASN A 47 60.424 2.795 16.931 1.00 0.00 C ATOM 724 O ASN A 47 60.657 3.891 16.421 1.00 0.00 O ATOM 725 CB ASN A 47 58.122 2.472 17.860 1.00 0.00 C ATOM 726 CG ASN A 47 58.831 2.301 19.200 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.589 3.260 19.655 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 58.688 1.265 19.850 1.00 0.00 N flip ATOM 0 H ASN A 47 58.304 0.170 16.836 1.00 0.00 H new ATOM 0 HA ASN A 47 58.683 2.494 15.763 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.776 3.500 17.752 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.240 1.833 17.823 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.095 0.516 19.492 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.163 1.156 20.746 1.00 0.00 H new ATOM 735 N SER A 48 61.309 2.167 17.697 1.00 0.00 N ATOM 736 CA SER A 48 62.613 2.762 17.969 1.00 0.00 C ATOM 737 C SER A 48 63.631 2.380 16.897 1.00 0.00 C ATOM 738 O SER A 48 64.005 1.214 16.770 1.00 0.00 O ATOM 739 CB SER A 48 63.107 2.307 19.341 1.00 0.00 C ATOM 740 OG SER A 48 62.424 3.039 20.352 1.00 0.00 O ATOM 0 H SER A 48 61.152 1.259 18.135 1.00 0.00 H new ATOM 0 HA SER A 48 62.504 3.846 17.958 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.932 1.239 19.468 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.182 2.466 19.424 1.00 0.00 H new ATOM 0 HG SER A 48 61.473 3.100 20.125 1.00 0.00 H new ATOM 746 N VAL A 49 64.081 3.375 16.134 1.00 0.00 N ATOM 747 CA VAL A 49 65.064 3.139 15.078 1.00 0.00 C ATOM 748 C VAL A 49 66.432 2.854 15.687 1.00 0.00 C ATOM 749 O VAL A 49 67.216 2.073 15.147 1.00 0.00 O ATOM 750 CB VAL A 49 65.159 4.364 14.160 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.481 3.916 12.732 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.825 5.115 14.168 1.00 0.00 C ATOM 0 H VAL A 49 63.783 4.346 16.226 1.00 0.00 H new ATOM 0 HA VAL A 49 64.744 2.276 14.494 1.00 0.00 H new ATOM 0 HB VAL A 49 65.950 5.022 14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.548 4.789 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.432 3.384 12.723 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.693 3.255 12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.894 5.985 13.515 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.034 4.455 13.811 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.596 5.440 15.183 1.00 0.00 H new ATOM 762 N ILE A 50 66.703 3.483 16.824 1.00 0.00 N ATOM 763 CA ILE A 50 67.949 3.298 17.521 1.00 0.00 C ATOM 764 C ILE A 50 68.113 1.826 17.845 1.00 0.00 C ATOM 765 O ILE A 50 69.210 1.267 17.795 1.00 0.00 O ATOM 766 CB ILE A 50 67.873 4.142 18.795 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.058 5.107 18.861 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.841 3.261 20.037 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.380 4.331 18.797 1.00 0.00 C ATOM 0 H ILE A 50 66.061 4.132 17.280 1.00 0.00 H new ATOM 0 HA ILE A 50 68.807 3.607 16.924 1.00 0.00 H new ATOM 0 HB ILE A 50 66.948 4.717 18.765 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.004 5.817 18.035 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.013 5.687 19.783 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.787 3.888 20.927 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.968 2.610 19.999 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.745 2.654 20.076 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.215 5.030 18.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.437 3.639 19.638 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.429 3.771 17.863 1.00 0.00 H new ATOM 781 N ALA A 51 66.989 1.217 18.170 1.00 0.00 N ATOM 782 CA ALA A 51 66.942 -0.179 18.503 1.00 0.00 C ATOM 783 C ALA A 51 67.386 -1.004 17.300 1.00 0.00 C ATOM 784 O ALA A 51 68.234 -1.889 17.417 1.00 0.00 O ATOM 785 CB ALA A 51 65.504 -0.514 18.923 1.00 0.00 C ATOM 0 H ALA A 51 66.084 1.685 18.208 1.00 0.00 H new ATOM 0 HA ALA A 51 67.617 -0.413 19.326 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.437 -1.571 19.182 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.227 0.090 19.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.825 -0.300 18.098 1.00 0.00 H new ATOM 791 N LEU A 52 66.824 -0.687 16.139 1.00 0.00 N ATOM 792 CA LEU A 52 67.174 -1.383 14.912 1.00 0.00 C ATOM 793 C LEU A 52 68.624 -1.092 14.537 1.00 0.00 C ATOM 794 O LEU A 52 69.310 -1.941 13.969 1.00 0.00 O ATOM 795 CB LEU A 52 66.238 -0.930 13.784 1.00 0.00 C ATOM 796 CG LEU A 52 64.870 -1.608 13.939 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.035 -0.846 14.969 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.142 -1.600 12.592 1.00 0.00 C ATOM 0 H LEU A 52 66.125 0.047 16.024 1.00 0.00 H new ATOM 0 HA LEU A 52 67.063 -2.457 15.064 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.122 0.154 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.671 -1.182 12.816 1.00 0.00 H new ATOM 0 HG LEU A 52 65.011 -2.636 14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.064 -1.328 15.078 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.551 -0.848 15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.894 0.182 14.635 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.170 -2.081 12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.002 -0.571 12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.735 -2.142 11.855 1.00 0.00 H new ATOM 810 N LEU A 53 69.090 0.106 14.869 1.00 0.00 N ATOM 811 CA LEU A 53 70.463 0.484 14.570 1.00 0.00 C ATOM 812 C LEU A 53 71.423 -0.561 15.136 1.00 0.00 C ATOM 813 O LEU A 53 72.447 -0.879 14.532 1.00 0.00 O ATOM 814 CB LEU A 53 70.758 1.855 15.187 1.00 0.00 C ATOM 815 CG LEU A 53 71.762 2.634 14.322 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.015 1.783 14.087 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.123 2.998 12.971 1.00 0.00 C ATOM 0 H LEU A 53 68.542 0.825 15.341 1.00 0.00 H new ATOM 0 HA LEU A 53 70.598 0.538 13.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.833 2.424 15.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.158 1.728 16.193 1.00 0.00 H new ATOM 0 HG LEU A 53 72.041 3.550 14.843 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.723 2.340 13.473 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.476 1.542 15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.738 0.861 13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 53 71.842 3.550 12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.832 2.087 12.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.241 3.616 13.140 1.00 0.00 H new ATOM 829 N MET A 54 71.077 -1.086 16.305 1.00 0.00 N ATOM 830 CA MET A 54 71.904 -2.095 16.962 1.00 0.00 C ATOM 831 C MET A 54 72.107 -3.314 16.061 1.00 0.00 C ATOM 832 O MET A 54 73.238 -3.711 15.779 1.00 0.00 O ATOM 833 CB MET A 54 71.237 -2.539 18.270 1.00 0.00 C ATOM 834 CG MET A 54 72.274 -3.206 19.178 1.00 0.00 C ATOM 835 SD MET A 54 73.422 -1.953 19.803 1.00 0.00 S ATOM 836 CE MET A 54 73.892 -2.810 21.326 1.00 0.00 C ATOM 0 H MET A 54 70.233 -0.832 16.818 1.00 0.00 H new ATOM 0 HA MET A 54 72.877 -1.651 17.171 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.797 -1.679 18.775 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.425 -3.234 18.058 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.777 -3.707 20.009 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.819 -3.971 18.625 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.609 -2.203 21.879 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.006 -2.974 21.940 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.344 -3.770 21.078 1.00 0.00 H new ATOM 846 N LEU A 55 71.001 -3.909 15.633 1.00 0.00 N ATOM 847 CA LEU A 55 71.043 -5.099 14.781 1.00 0.00 C ATOM 848 C LEU A 55 71.219 -4.741 13.311 1.00 0.00 C ATOM 849 O LEU A 55 71.472 -5.613 12.484 1.00 0.00 O ATOM 850 CB LEU A 55 69.759 -5.904 14.962 1.00 0.00 C ATOM 851 CG LEU A 55 68.537 -5.019 14.682 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.073 -5.203 13.238 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.406 -5.420 15.625 1.00 0.00 C ATOM 0 H LEU A 55 70.060 -3.589 15.861 1.00 0.00 H new ATOM 0 HA LEU A 55 71.905 -5.694 15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.760 -6.760 14.288 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.708 -6.298 15.977 1.00 0.00 H new ATOM 0 HG LEU A 55 68.807 -3.975 14.839 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.205 -4.570 13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 55 68.879 -4.924 12.559 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.803 -6.246 13.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.533 -4.796 15.433 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.148 -6.466 15.459 1.00 0.00 H new ATOM 0 HD23 LEU A 55 67.728 -5.285 16.658 1.00 0.00 H new ATOM 865 N ASP A 56 71.089 -3.464 12.986 1.00 0.00 N ATOM 866 CA ASP A 56 71.252 -3.031 11.607 1.00 0.00 C ATOM 867 C ASP A 56 72.583 -3.547 11.100 1.00 0.00 C ATOM 868 O ASP A 56 72.765 -3.788 9.907 1.00 0.00 O ATOM 869 CB ASP A 56 71.208 -1.504 11.509 1.00 0.00 C ATOM 870 CG ASP A 56 69.761 -1.020 11.536 1.00 0.00 C ATOM 871 OD1 ASP A 56 69.556 0.177 11.420 1.00 0.00 O ATOM 872 OD2 ASP A 56 68.880 -1.853 11.670 1.00 0.00 O ATOM 0 H ASP A 56 70.874 -2.718 13.648 1.00 0.00 H new ATOM 0 HA ASP A 56 70.438 -3.428 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.763 -1.062 12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 56 71.692 -1.176 10.589 1.00 0.00 H new ATOM 877 N SER A 57 73.501 -3.743 12.037 1.00 0.00 N ATOM 878 CA SER A 57 74.809 -4.267 11.707 1.00 0.00 C ATOM 879 C SER A 57 74.687 -5.761 11.459 1.00 0.00 C ATOM 880 O SER A 57 75.608 -6.385 10.939 1.00 0.00 O ATOM 881 CB SER A 57 75.788 -4.009 12.852 1.00 0.00 C ATOM 882 OG SER A 57 77.108 -4.307 12.417 1.00 0.00 O ATOM 0 H SER A 57 73.360 -3.546 13.028 1.00 0.00 H new ATOM 0 HA SER A 57 75.186 -3.770 10.813 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.724 -2.969 13.173 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.529 -4.625 13.713 1.00 0.00 H new ATOM 0 HG SER A 57 77.082 -5.048 11.776 1.00 0.00 H new ATOM 888 N ALA A 58 73.523 -6.315 11.834 1.00 0.00 N ATOM 889 CA ALA A 58 73.240 -7.752 11.651 1.00 0.00 C ATOM 890 C ALA A 58 74.360 -8.433 10.859 1.00 0.00 C ATOM 891 O ALA A 58 75.478 -8.581 11.352 1.00 0.00 O ATOM 892 CB ALA A 58 71.911 -7.915 10.915 1.00 0.00 C ATOM 0 H ALA A 58 72.761 -5.792 12.266 1.00 0.00 H new ATOM 0 HA ALA A 58 73.180 -8.225 12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.699 -8.975 10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.113 -7.458 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.972 -7.428 9.942 1.00 0.00 H new ATOM 898 N LYS A 59 74.063 -8.818 9.621 1.00 0.00 N ATOM 899 CA LYS A 59 75.067 -9.441 8.761 1.00 0.00 C ATOM 900 C LYS A 59 75.348 -10.899 9.134 1.00 0.00 C ATOM 901 O LYS A 59 76.464 -11.246 9.519 1.00 0.00 O ATOM 902 CB LYS A 59 76.369 -8.625 8.826 1.00 0.00 C ATOM 903 CG LYS A 59 77.088 -8.641 7.466 1.00 0.00 C ATOM 904 CD LYS A 59 77.889 -9.939 7.294 1.00 0.00 C ATOM 905 CE LYS A 59 79.012 -10.016 8.339 1.00 0.00 C ATOM 906 NZ LYS A 59 79.387 -8.644 8.783 1.00 0.00 N ATOM 0 H LYS A 59 73.143 -8.711 9.193 1.00 0.00 H new ATOM 0 HA LYS A 59 74.669 -9.446 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.146 -7.597 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.024 -9.036 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.358 -8.548 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.756 -7.783 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.227 -10.799 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.313 -9.982 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.685 -10.608 9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.880 -10.521 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.289 -8.681 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.488 -8.026 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.646 -8.267 9.408 1.00 0.00 H new ATOM 920 N GLY A 60 74.346 -11.758 8.979 1.00 0.00 N ATOM 921 CA GLY A 60 74.527 -13.185 9.259 1.00 0.00 C ATOM 922 C GLY A 60 73.931 -13.598 10.597 1.00 0.00 C ATOM 923 O GLY A 60 73.935 -14.778 10.945 1.00 0.00 O ATOM 0 H GLY A 60 73.410 -11.500 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.065 -13.769 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.591 -13.421 9.251 1.00 0.00 H new ATOM 927 N ARG A 61 73.416 -12.635 11.343 1.00 0.00 N ATOM 928 CA ARG A 61 72.821 -12.931 12.630 1.00 0.00 C ATOM 929 C ARG A 61 71.357 -13.286 12.445 1.00 0.00 C ATOM 930 O ARG A 61 70.719 -12.829 11.501 1.00 0.00 O ATOM 931 CB ARG A 61 72.957 -11.715 13.540 1.00 0.00 C ATOM 932 CG ARG A 61 74.442 -11.382 13.699 1.00 0.00 C ATOM 933 CD ARG A 61 74.612 -10.123 14.557 1.00 0.00 C ATOM 934 NE ARG A 61 75.821 -10.224 15.366 1.00 0.00 N ATOM 935 CZ ARG A 61 76.350 -9.152 15.947 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.433 -9.267 16.666 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.786 -7.985 15.799 1.00 0.00 N ATOM 0 H ARG A 61 73.399 -11.650 11.080 1.00 0.00 H new ATOM 0 HA ARG A 61 73.333 -13.778 13.086 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.423 -10.865 13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.510 -11.920 14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.963 -12.220 14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.895 -11.228 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.667 -9.243 13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 61 73.743 -9.994 15.203 1.00 0.00 H new ATOM 0 HE ARG A 61 76.268 -11.133 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.874 -10.180 16.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.839 -8.444 17.112 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.939 -7.895 15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.192 -7.162 16.245 1.00 0.00 H new ATOM 951 N GLN A 62 70.820 -14.094 13.344 1.00 0.00 N ATOM 952 CA GLN A 62 69.422 -14.472 13.239 1.00 0.00 C ATOM 953 C GLN A 62 68.589 -13.510 14.046 1.00 0.00 C ATOM 954 O GLN A 62 68.927 -13.178 15.182 1.00 0.00 O ATOM 955 CB GLN A 62 69.195 -15.903 13.732 1.00 0.00 C ATOM 956 CG GLN A 62 70.374 -16.770 13.300 1.00 0.00 C ATOM 957 CD GLN A 62 70.019 -18.246 13.439 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.439 -19.065 12.622 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.267 -18.637 14.431 1.00 0.00 N ATOM 0 H GLN A 62 71.319 -14.494 14.139 1.00 0.00 H new ATOM 0 HA GLN A 62 69.127 -14.431 12.190 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.096 -15.916 14.817 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.266 -16.299 13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.639 -16.548 12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.248 -16.539 13.910 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.920 -17.957 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.026 -19.623 14.531 1.00 0.00 H new ATOM 968 N ILE A 63 67.507 -13.056 13.453 1.00 0.00 N ATOM 969 CA ILE A 63 66.637 -12.122 14.114 1.00 0.00 C ATOM 970 C ILE A 63 65.421 -12.834 14.627 1.00 0.00 C ATOM 971 O ILE A 63 64.929 -13.773 14.014 1.00 0.00 O ATOM 972 CB ILE A 63 66.214 -11.035 13.140 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.522 -9.904 13.902 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.248 -11.613 12.107 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.550 -8.846 14.292 1.00 0.00 C ATOM 0 H ILE A 63 67.212 -13.322 12.513 1.00 0.00 H new ATOM 0 HA ILE A 63 67.171 -11.671 14.951 1.00 0.00 H new ATOM 0 HB ILE A 63 67.097 -10.647 12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.743 -9.458 13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.034 -10.298 14.794 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.948 -10.830 11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.740 -12.417 11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.366 -12.006 12.613 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.055 -8.041 14.835 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.313 -9.297 14.927 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.017 -8.444 13.393 1.00 0.00 H new ATOM 987 N GLU A 64 64.940 -12.353 15.744 1.00 0.00 N ATOM 988 CA GLU A 64 63.758 -12.906 16.360 1.00 0.00 C ATOM 989 C GLU A 64 62.712 -11.818 16.380 1.00 0.00 C ATOM 990 O GLU A 64 62.796 -10.870 17.163 1.00 0.00 O ATOM 991 CB GLU A 64 64.082 -13.409 17.773 1.00 0.00 C ATOM 992 CG GLU A 64 63.655 -14.869 17.929 1.00 0.00 C ATOM 993 CD GLU A 64 62.134 -14.977 17.907 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.529 -14.372 17.037 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.596 -15.661 18.761 1.00 0.00 O ATOM 0 H GLU A 64 65.353 -11.571 16.252 1.00 0.00 H new ATOM 0 HA GLU A 64 63.385 -13.764 15.800 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.151 -13.314 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.570 -12.793 18.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.081 -15.468 17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.042 -15.271 18.865 1.00 0.00 H new ATOM 1002 N VAL A 65 61.752 -11.931 15.477 1.00 0.00 N ATOM 1003 CA VAL A 65 60.726 -10.930 15.371 1.00 0.00 C ATOM 1004 C VAL A 65 59.578 -11.249 16.290 1.00 0.00 C ATOM 1005 O VAL A 65 59.196 -12.405 16.416 1.00 0.00 O ATOM 1006 CB VAL A 65 60.213 -10.897 13.935 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.388 -12.154 13.647 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.345 -9.657 13.748 1.00 0.00 C ATOM 0 H VAL A 65 61.669 -12.703 14.815 1.00 0.00 H new ATOM 0 HA VAL A 65 61.146 -9.964 15.651 1.00 0.00 H new ATOM 0 HB VAL A 65 61.057 -10.865 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.025 -12.123 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.011 -13.038 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.540 -12.197 14.330 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.973 -9.624 12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.503 -9.695 14.439 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.938 -8.764 13.947 1.00 0.00 H new ATOM 1018 N GLU A 66 59.008 -10.228 16.906 1.00 0.00 N ATOM 1019 CA GLU A 66 57.861 -10.452 17.758 1.00 0.00 C ATOM 1020 C GLU A 66 56.887 -9.282 17.665 1.00 0.00 C ATOM 1021 O GLU A 66 57.217 -8.173 18.075 1.00 0.00 O ATOM 1022 CB GLU A 66 58.271 -10.646 19.215 1.00 0.00 C ATOM 1023 CG GLU A 66 57.010 -10.626 20.085 1.00 0.00 C ATOM 1024 CD GLU A 66 57.304 -11.228 21.455 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.469 -11.307 21.808 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.360 -11.601 22.131 1.00 0.00 O ATOM 0 H GLU A 66 59.314 -9.258 16.833 1.00 0.00 H new ATOM 0 HA GLU A 66 57.376 -11.363 17.409 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.799 -11.592 19.337 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.956 -9.856 19.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.654 -9.602 20.199 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.214 -11.188 19.597 1.00 0.00 H new ATOM 1033 N ALA A 67 55.676 -9.527 17.160 1.00 0.00 N ATOM 1034 CA ALA A 67 54.684 -8.458 17.073 1.00 0.00 C ATOM 1035 C ALA A 67 53.502 -8.791 17.963 1.00 0.00 C ATOM 1036 O ALA A 67 53.251 -9.960 18.251 1.00 0.00 O ATOM 1037 CB ALA A 67 54.238 -8.245 15.624 1.00 0.00 C ATOM 0 H ALA A 67 55.365 -10.434 16.813 1.00 0.00 H new ATOM 0 HA ALA A 67 55.133 -7.526 17.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.499 -7.444 15.585 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.100 -7.974 15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.797 -9.165 15.240 1.00 0.00 H new ATOM 1043 N THR A 68 52.798 -7.766 18.439 1.00 0.00 N ATOM 1044 CA THR A 68 51.679 -8.007 19.330 1.00 0.00 C ATOM 1045 C THR A 68 50.619 -6.909 19.248 1.00 0.00 C ATOM 1046 O THR A 68 50.780 -5.830 19.817 1.00 0.00 O ATOM 1047 CB THR A 68 52.195 -8.081 20.764 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.168 -9.109 20.867 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.030 -8.374 21.702 1.00 0.00 C ATOM 0 H THR A 68 52.980 -6.785 18.226 1.00 0.00 H new ATOM 0 HA THR A 68 51.213 -8.944 19.025 1.00 0.00 H new ATOM 0 HB THR A 68 52.652 -7.130 21.040 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.500 -9.154 21.788 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.394 -8.428 22.728 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.289 -7.579 21.621 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.573 -9.325 21.429 1.00 0.00 H new ATOM 1057 N GLY A 69 49.528 -7.213 18.561 1.00 0.00 N ATOM 1058 CA GLY A 69 48.416 -6.276 18.426 1.00 0.00 C ATOM 1059 C GLY A 69 47.406 -6.779 17.398 1.00 0.00 C ATOM 1060 O GLY A 69 47.624 -7.787 16.737 1.00 0.00 O ATOM 0 H GLY A 69 49.386 -8.104 18.086 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.926 -6.145 19.391 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.793 -5.299 18.125 1.00 0.00 H new ATOM 1064 N PRO A 70 46.310 -6.103 17.256 1.00 0.00 N ATOM 1065 CA PRO A 70 45.249 -6.491 16.290 1.00 0.00 C ATOM 1066 C PRO A 70 45.796 -7.035 14.975 1.00 0.00 C ATOM 1067 O PRO A 70 45.350 -8.076 14.490 1.00 0.00 O ATOM 1068 CB PRO A 70 44.518 -5.176 16.066 1.00 0.00 C ATOM 1069 CG PRO A 70 44.592 -4.488 17.388 1.00 0.00 C ATOM 1070 CD PRO A 70 45.942 -4.885 18.000 1.00 0.00 C ATOM 0 HA PRO A 70 44.625 -7.301 16.669 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.992 -4.585 15.282 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.485 -5.341 15.760 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.521 -3.407 17.269 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.767 -4.793 18.032 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.686 -4.098 17.876 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.857 -5.078 19.069 1.00 0.00 H new ATOM 1078 N GLN A 71 46.738 -6.308 14.386 1.00 0.00 N ATOM 1079 CA GLN A 71 47.313 -6.715 13.096 1.00 0.00 C ATOM 1080 C GLN A 71 48.835 -6.916 13.162 1.00 0.00 C ATOM 1081 O GLN A 71 49.570 -6.449 12.296 1.00 0.00 O ATOM 1082 CB GLN A 71 46.978 -5.655 12.040 1.00 0.00 C ATOM 1083 CG GLN A 71 45.530 -5.827 11.571 1.00 0.00 C ATOM 1084 CD GLN A 71 44.574 -5.434 12.690 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.939 -6.295 13.298 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.434 -4.174 12.999 1.00 0.00 N ATOM 0 H GLN A 71 47.120 -5.444 14.770 1.00 0.00 H new ATOM 0 HA GLN A 71 46.876 -7.677 12.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.119 -4.657 12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.657 -5.746 11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.348 -5.210 10.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.354 -6.862 11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 71 44.962 -3.463 12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.797 -3.900 13.747 1.00 0.00 H new ATOM 1095 N GLU A 72 49.299 -7.625 14.180 1.00 0.00 N ATOM 1096 CA GLU A 72 50.730 -7.893 14.337 1.00 0.00 C ATOM 1097 C GLU A 72 51.242 -8.847 13.278 1.00 0.00 C ATOM 1098 O GLU A 72 52.398 -8.766 12.873 1.00 0.00 O ATOM 1099 CB GLU A 72 50.980 -8.504 15.724 1.00 0.00 C ATOM 1100 CG GLU A 72 49.747 -9.288 16.157 1.00 0.00 C ATOM 1101 CD GLU A 72 50.109 -10.317 17.218 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.286 -10.561 17.396 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.201 -10.841 17.839 1.00 0.00 O ATOM 0 H GLU A 72 48.711 -8.026 14.911 1.00 0.00 H new ATOM 0 HA GLU A 72 51.263 -6.948 14.229 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.850 -9.160 15.694 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.198 -7.718 16.447 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.994 -8.604 16.549 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.306 -9.787 15.294 1.00 0.00 H new ATOM 1110 N GLU A 73 50.399 -9.755 12.850 1.00 0.00 N ATOM 1111 CA GLU A 73 50.815 -10.727 11.858 1.00 0.00 C ATOM 1112 C GLU A 73 51.215 -10.054 10.558 1.00 0.00 C ATOM 1113 O GLU A 73 52.358 -10.160 10.135 1.00 0.00 O ATOM 1114 CB GLU A 73 49.692 -11.736 11.601 1.00 0.00 C ATOM 1115 CG GLU A 73 49.470 -12.593 12.860 1.00 0.00 C ATOM 1116 CD GLU A 73 49.474 -14.080 12.507 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.154 -14.403 11.375 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.791 -14.874 13.377 1.00 0.00 O ATOM 0 H GLU A 73 49.433 -9.845 13.165 1.00 0.00 H new ATOM 0 HA GLU A 73 51.687 -11.251 12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.773 -11.213 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.949 -12.374 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.252 -12.385 13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.521 -12.327 13.325 1.00 0.00 H new ATOM 1125 N GLU A 74 50.283 -9.357 9.930 1.00 0.00 N ATOM 1126 CA GLU A 74 50.588 -8.687 8.671 1.00 0.00 C ATOM 1127 C GLU A 74 51.800 -7.776 8.839 1.00 0.00 C ATOM 1128 O GLU A 74 52.637 -7.661 7.945 1.00 0.00 O ATOM 1129 CB GLU A 74 49.377 -7.883 8.198 1.00 0.00 C ATOM 1130 CG GLU A 74 48.564 -7.419 9.406 1.00 0.00 C ATOM 1131 CD GLU A 74 47.581 -8.507 9.830 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.726 -8.850 9.030 1.00 0.00 O ATOM 1133 OE2 GLU A 74 47.699 -8.981 10.948 1.00 0.00 O ATOM 0 H GLU A 74 49.325 -9.239 10.261 1.00 0.00 H new ATOM 0 HA GLU A 74 50.823 -9.440 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.705 -7.022 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.756 -8.494 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.232 -7.180 10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.023 -6.506 9.160 1.00 0.00 H new ATOM 1140 N ALA A 75 51.881 -7.138 9.997 1.00 0.00 N ATOM 1141 CA ALA A 75 52.990 -6.236 10.300 1.00 0.00 C ATOM 1142 C ALA A 75 54.303 -6.993 10.366 1.00 0.00 C ATOM 1143 O ALA A 75 55.235 -6.691 9.631 1.00 0.00 O ATOM 1144 CB ALA A 75 52.734 -5.528 11.645 1.00 0.00 C ATOM 0 H ALA A 75 51.193 -7.226 10.745 1.00 0.00 H new ATOM 0 HA ALA A 75 53.057 -5.496 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.564 -4.857 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.809 -4.954 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.648 -6.272 12.437 1.00 0.00 H new ATOM 1150 N LEU A 76 54.356 -7.977 11.243 1.00 0.00 N ATOM 1151 CA LEU A 76 55.545 -8.796 11.420 1.00 0.00 C ATOM 1152 C LEU A 76 55.724 -9.714 10.220 1.00 0.00 C ATOM 1153 O LEU A 76 56.840 -10.073 9.852 1.00 0.00 O ATOM 1154 CB LEU A 76 55.350 -9.593 12.713 1.00 0.00 C ATOM 1155 CG LEU A 76 56.000 -10.976 12.653 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.095 -11.509 14.085 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.145 -11.938 11.804 1.00 0.00 C ATOM 0 H LEU A 76 53.579 -8.233 11.853 1.00 0.00 H new ATOM 0 HA LEU A 76 56.445 -8.186 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.771 -9.033 13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.284 -9.705 12.910 1.00 0.00 H new ATOM 0 HG LEU A 76 56.987 -10.903 12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.556 -12.497 14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.701 -10.831 14.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.096 -11.579 14.514 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.622 -12.917 11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.154 -12.032 12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.053 -11.546 10.791 1.00 0.00 H new ATOM 1169 N ALA A 77 54.606 -10.075 9.613 1.00 0.00 N ATOM 1170 CA ALA A 77 54.616 -10.942 8.443 1.00 0.00 C ATOM 1171 C ALA A 77 55.008 -10.152 7.199 1.00 0.00 C ATOM 1172 O ALA A 77 55.461 -10.723 6.206 1.00 0.00 O ATOM 1173 CB ALA A 77 53.223 -11.533 8.243 1.00 0.00 C ATOM 0 H ALA A 77 53.676 -9.781 9.911 1.00 0.00 H new ATOM 0 HA ALA A 77 55.343 -11.739 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.226 -12.183 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.943 -12.111 9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.504 -10.727 8.094 1.00 0.00 H new ATOM 1179 N ALA A 78 54.834 -8.835 7.260 1.00 0.00 N ATOM 1180 CA ALA A 78 55.178 -7.978 6.131 1.00 0.00 C ATOM 1181 C ALA A 78 56.680 -7.732 6.125 1.00 0.00 C ATOM 1182 O ALA A 78 57.321 -7.689 5.069 1.00 0.00 O ATOM 1183 CB ALA A 78 54.419 -6.648 6.228 1.00 0.00 C ATOM 0 H ALA A 78 54.460 -8.342 8.071 1.00 0.00 H new ATOM 0 HA ALA A 78 54.892 -8.470 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.683 -6.016 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.346 -6.840 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.688 -6.142 7.155 1.00 0.00 H new ATOM 1189 N VAL A 79 57.244 -7.616 7.319 1.00 0.00 N ATOM 1190 CA VAL A 79 58.674 -7.417 7.458 1.00 0.00 C ATOM 1191 C VAL A 79 59.368 -8.684 7.010 1.00 0.00 C ATOM 1192 O VAL A 79 60.326 -8.658 6.248 1.00 0.00 O ATOM 1193 CB VAL A 79 59.027 -7.130 8.927 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.764 -6.783 9.696 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.662 -8.368 9.557 1.00 0.00 C ATOM 0 H VAL A 79 56.733 -7.656 8.201 1.00 0.00 H new ATOM 0 HA VAL A 79 58.994 -6.569 6.852 1.00 0.00 H new ATOM 0 HB VAL A 79 59.727 -6.296 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.016 -6.580 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.301 -5.900 9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.067 -7.620 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.910 -8.160 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.960 -9.200 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.570 -8.628 9.012 1.00 0.00 H new ATOM 1205 N ILE A 80 58.856 -9.796 7.513 1.00 0.00 N ATOM 1206 CA ILE A 80 59.393 -11.095 7.199 1.00 0.00 C ATOM 1207 C ILE A 80 59.565 -11.219 5.719 1.00 0.00 C ATOM 1208 O ILE A 80 60.671 -11.421 5.233 1.00 0.00 O ATOM 1209 CB ILE A 80 58.442 -12.142 7.747 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.670 -12.193 9.261 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.695 -13.507 7.091 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.443 -13.448 9.645 1.00 0.00 C ATOM 0 H ILE A 80 58.058 -9.816 8.148 1.00 0.00 H new ATOM 0 HA ILE A 80 60.373 -11.238 7.654 1.00 0.00 H new ATOM 0 HB ILE A 80 57.406 -11.886 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.220 -11.308 9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.711 -12.177 9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.001 -14.241 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.545 -13.427 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.718 -13.823 7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.595 -13.466 10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.878 -14.330 9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.410 -13.448 9.142 1.00 0.00 H new ATOM 1224 N ALA A 81 58.487 -11.044 4.993 1.00 0.00 N ATOM 1225 CA ALA A 81 58.599 -11.093 3.558 1.00 0.00 C ATOM 1226 C ALA A 81 59.776 -10.230 3.169 1.00 0.00 C ATOM 1227 O ALA A 81 60.400 -10.436 2.128 1.00 0.00 O ATOM 1228 CB ALA A 81 57.340 -10.569 2.892 1.00 0.00 C ATOM 0 H ALA A 81 57.550 -10.872 5.358 1.00 0.00 H new ATOM 0 HA ALA A 81 58.738 -12.124 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.454 -10.618 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.488 -11.177 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.173 -9.535 3.193 1.00 0.00 H new ATOM 1234 N LEU A 82 60.108 -9.280 4.051 1.00 0.00 N ATOM 1235 CA LEU A 82 61.252 -8.430 3.805 1.00 0.00 C ATOM 1236 C LEU A 82 62.471 -9.059 4.453 1.00 0.00 C ATOM 1237 O LEU A 82 63.542 -9.125 3.850 1.00 0.00 O ATOM 1238 CB LEU A 82 61.022 -7.016 4.344 1.00 0.00 C ATOM 1239 CG LEU A 82 61.722 -6.011 3.423 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.207 -6.380 3.308 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.068 -6.041 2.030 1.00 0.00 C ATOM 0 H LEU A 82 59.607 -9.092 4.919 1.00 0.00 H new ATOM 0 HA LEU A 82 61.408 -8.341 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.955 -6.801 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.412 -6.932 5.358 1.00 0.00 H new ATOM 0 HG LEU A 82 61.628 -5.008 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.709 -5.668 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.667 -6.352 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.301 -7.383 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.568 -5.325 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.158 -7.042 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.014 -5.777 2.117 1.00 0.00 H new ATOM 1253 N PHE A 83 62.296 -9.552 5.677 1.00 0.00 N ATOM 1254 CA PHE A 83 63.393 -10.201 6.357 1.00 0.00 C ATOM 1255 C PHE A 83 63.777 -11.424 5.554 1.00 0.00 C ATOM 1256 O PHE A 83 64.950 -11.772 5.425 1.00 0.00 O ATOM 1257 CB PHE A 83 63.018 -10.599 7.778 1.00 0.00 C ATOM 1258 CG PHE A 83 62.954 -9.391 8.691 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.038 -9.581 10.077 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.799 -8.089 8.175 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.967 -8.490 10.938 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.732 -7.001 9.047 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.816 -7.208 10.424 1.00 0.00 C ATOM 0 H PHE A 83 61.422 -9.512 6.201 1.00 0.00 H new ATOM 0 HA PHE A 83 64.231 -9.509 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.053 -11.105 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.749 -11.310 8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.158 -10.577 10.478 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.732 -7.933 7.108 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.029 -8.640 12.006 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.615 -6.001 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.763 -6.364 11.096 1.00 0.00 H new ATOM 1273 N ASN A 84 62.755 -12.039 4.979 1.00 0.00 N ATOM 1274 CA ASN A 84 62.934 -13.195 4.133 1.00 0.00 C ATOM 1275 C ASN A 84 63.327 -12.708 2.762 1.00 0.00 C ATOM 1276 O ASN A 84 63.811 -13.454 1.911 1.00 0.00 O ATOM 1277 CB ASN A 84 61.616 -13.965 4.056 1.00 0.00 C ATOM 1278 CG ASN A 84 61.855 -15.465 4.194 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.685 -16.032 3.483 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.170 -16.144 5.073 1.00 0.00 N ATOM 0 H ASN A 84 61.784 -11.747 5.089 1.00 0.00 H new ATOM 0 HA ASN A 84 63.705 -13.854 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.945 -13.625 4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.123 -13.757 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.321 -17.148 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.483 -15.671 5.660 1.00 0.00 H new ATOM 1287 N SER A 85 63.098 -11.428 2.586 1.00 0.00 N ATOM 1288 CA SER A 85 63.405 -10.753 1.330 1.00 0.00 C ATOM 1289 C SER A 85 62.746 -11.475 0.159 1.00 0.00 C ATOM 1290 O SER A 85 63.267 -11.380 -0.940 1.00 0.00 O ATOM 1291 CB SER A 85 64.919 -10.710 1.117 1.00 0.00 C ATOM 1292 OG SER A 85 65.389 -12.019 0.826 1.00 0.00 O ATOM 1293 OXT SER A 85 61.729 -12.113 0.378 1.00 0.00 O ATOM 0 H SER A 85 62.696 -10.821 3.300 1.00 0.00 H new ATOM 0 HA SER A 85 63.016 -9.736 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.164 -10.033 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.413 -10.324 2.009 1.00 0.00 H new ATOM 0 HG SER A 85 64.645 -12.654 0.885 1.00 0.00 H new