USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 644 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.056) USER MOD Set 2.2: A 92 GLN : amide:sc= 0 X(o=-0.011,f=-0.056) USER MOD Set 3.1: A 59 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.088) USER MOD Set 4.1: A 49 ASN : amide:sc= -1.76 K(o=-5.2,f=-6.6) USER MOD Set 4.2: A 69 ASN : amide:sc= -3.4 K(o=-5.2,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.0247 (180deg=-0.32) USER MOD Single : A 7 SER OG : rot 23:sc= 0.284 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.6) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.076) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 57:sc= -4.05! USER MOD Single : A 34 ASN : amide:sc= -3.26 K(o=-3.3,f=-3.9!) USER MOD Single : A 35 SER OG : rot 24:sc= 1.21 USER MOD Single : A 36 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.09) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00571 K(o=-0.0057,f=-0.57) USER MOD Single : A 44 THR OG1 : rot 53:sc= 0.0728 USER MOD Single : A 47 SER OG : rot -150:sc= -0.428 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -48:sc= 0.887 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.05 K(o=-3.1,f=-5.2!) USER MOD Single : A 61 SER OG : rot -107:sc= 1.16 USER MOD Single : A 66 SER OG : rot -2:sc= -0.15! USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.214 USER MOD Single : A 72 ASN : amide:sc= -0.0726 K(o=-0.073,f=-0.71) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 104:sc= 0.843 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.896 -1.831 -1.328 1.00 75.14 N ATOM 2 CA MET A 1 4.493 -3.020 -1.924 1.00 61.35 C ATOM 3 C MET A 1 5.970 -3.127 -1.560 1.00 65.21 C ATOM 4 O MET A 1 6.624 -2.140 -1.220 1.00 74.52 O ATOM 5 CB MET A 1 4.332 -2.990 -3.446 1.00 31.44 C ATOM 6 CG MET A 1 4.586 -1.622 -4.057 1.00 32.02 C ATOM 7 SD MET A 1 5.169 -1.720 -5.760 1.00 52.43 S ATOM 8 CE MET A 1 3.634 -1.497 -6.657 1.00 21.24 C ATOM 0 H1 MET A 1 3.113 -1.499 -1.926 1.00 75.14 H new ATOM 0 H2 MET A 1 3.535 -2.062 -0.380 1.00 75.14 H new ATOM 0 H3 MET A 1 4.614 -1.083 -1.252 1.00 75.14 H new ATOM 0 HA MET A 1 3.975 -3.893 -1.528 1.00 61.35 H new ATOM 0 HB2 MET A 1 5.019 -3.710 -3.890 1.00 31.44 H new ATOM 0 HB3 MET A 1 3.323 -3.312 -3.703 1.00 31.44 H new ATOM 0 HG2 MET A 1 3.666 -1.038 -4.025 1.00 32.02 H new ATOM 0 HG3 MET A 1 5.323 -1.090 -3.455 1.00 32.02 H new ATOM 0 HE1 MET A 1 3.830 -1.533 -7.729 1.00 21.24 H new ATOM 0 HE2 MET A 1 2.937 -2.291 -6.389 1.00 21.24 H new ATOM 0 HE3 MET A 1 3.200 -0.531 -6.400 1.00 21.24 H new ATOM 18 N PRO A 2 6.511 -4.353 -1.631 1.00 44.43 N ATOM 19 CA PRO A 2 7.918 -4.617 -1.313 1.00 14.23 C ATOM 20 C PRO A 2 8.867 -4.030 -2.351 1.00 65.34 C ATOM 21 O PRO A 2 8.488 -3.817 -3.503 1.00 24.24 O ATOM 22 CB PRO A 2 8.001 -6.145 -1.315 1.00 33.32 C ATOM 23 CG PRO A 2 6.892 -6.584 -2.208 1.00 41.43 C ATOM 24 CD PRO A 2 5.792 -5.574 -2.029 1.00 31.31 C ATOM 0 HA PRO A 2 8.215 -4.162 -0.368 1.00 14.23 H new ATOM 0 HB2 PRO A 2 8.967 -6.488 -1.685 1.00 33.32 H new ATOM 0 HB3 PRO A 2 7.883 -6.549 -0.310 1.00 33.32 H new ATOM 0 HG2 PRO A 2 7.220 -6.624 -3.247 1.00 41.43 H new ATOM 0 HG3 PRO A 2 6.550 -7.584 -1.943 1.00 41.43 H new ATOM 0 HD2 PRO A 2 5.229 -5.426 -2.950 1.00 31.31 H new ATOM 0 HD3 PRO A 2 5.079 -5.887 -1.266 1.00 31.31 H new ATOM 32 N ALA A 3 10.104 -3.772 -1.937 1.00 54.11 N ATOM 33 CA ALA A 3 11.108 -3.212 -2.833 1.00 21.41 C ATOM 34 C ALA A 3 12.490 -3.785 -2.534 1.00 53.23 C ATOM 35 O ALA A 3 12.623 -4.746 -1.778 1.00 23.21 O ATOM 36 CB ALA A 3 11.128 -1.695 -2.722 1.00 20.14 C ATOM 0 H ALA A 3 10.434 -3.942 -0.987 1.00 54.11 H new ATOM 0 HA ALA A 3 10.842 -3.486 -3.854 1.00 21.41 H new ATOM 0 HB1 ALA A 3 11.883 -1.291 -3.397 1.00 20.14 H new ATOM 0 HB2 ALA A 3 10.150 -1.298 -2.992 1.00 20.14 H new ATOM 0 HB3 ALA A 3 11.366 -1.408 -1.698 1.00 20.14 H new ATOM 42 N ALA A 4 13.515 -3.188 -3.134 1.00 14.11 N ATOM 43 CA ALA A 4 14.886 -3.638 -2.931 1.00 0.11 C ATOM 44 C ALA A 4 15.780 -2.488 -2.478 1.00 33.20 C ATOM 45 O ALA A 4 15.591 -1.342 -2.889 1.00 34.44 O ATOM 46 CB ALA A 4 15.431 -4.262 -4.207 1.00 43.40 C ATOM 0 H ALA A 4 13.421 -2.392 -3.764 1.00 14.11 H new ATOM 0 HA ALA A 4 14.882 -4.392 -2.144 1.00 0.11 H new ATOM 0 HB1 ALA A 4 16.456 -4.594 -4.041 1.00 43.40 H new ATOM 0 HB2 ALA A 4 14.814 -5.116 -4.487 1.00 43.40 H new ATOM 0 HB3 ALA A 4 15.414 -3.524 -5.009 1.00 43.40 H new ATOM 52 N LEU A 5 16.753 -2.801 -1.629 1.00 52.54 N ATOM 53 CA LEU A 5 17.676 -1.793 -1.120 1.00 2.33 C ATOM 54 C LEU A 5 16.938 -0.747 -0.290 1.00 34.40 C ATOM 55 O LEU A 5 16.286 0.145 -0.833 1.00 71.33 O ATOM 56 CB LEU A 5 18.412 -1.115 -2.277 1.00 10.01 C ATOM 57 CG LEU A 5 19.672 -0.332 -1.905 1.00 32.42 C ATOM 58 CD1 LEU A 5 20.725 -0.467 -2.994 1.00 11.03 C ATOM 59 CD2 LEU A 5 19.338 1.132 -1.662 1.00 14.14 C ATOM 0 H LEU A 5 16.923 -3.744 -1.279 1.00 52.54 H new ATOM 0 HA LEU A 5 18.402 -2.293 -0.479 1.00 2.33 H new ATOM 0 HB2 LEU A 5 18.685 -1.879 -3.005 1.00 10.01 H new ATOM 0 HB3 LEU A 5 17.719 -0.435 -2.773 1.00 10.01 H new ATOM 0 HG LEU A 5 20.077 -0.749 -0.983 1.00 32.42 H new ATOM 0 HD11 LEU A 5 21.614 0.097 -2.712 1.00 11.03 H new ATOM 0 HD12 LEU A 5 20.986 -1.518 -3.119 1.00 11.03 H new ATOM 0 HD13 LEU A 5 20.330 -0.077 -3.932 1.00 11.03 H new ATOM 0 HD21 LEU A 5 20.246 1.674 -1.398 1.00 14.14 H new ATOM 0 HD22 LEU A 5 18.909 1.562 -2.567 1.00 14.14 H new ATOM 0 HD23 LEU A 5 18.619 1.211 -0.846 1.00 14.14 H new ATOM 71 N VAL A 6 17.046 -0.863 1.030 1.00 54.51 N ATOM 72 CA VAL A 6 16.391 0.074 1.935 1.00 11.32 C ATOM 73 C VAL A 6 17.317 0.470 3.080 1.00 54.20 C ATOM 74 O VAL A 6 17.790 1.604 3.145 1.00 44.41 O ATOM 75 CB VAL A 6 15.096 -0.521 2.519 1.00 20.41 C ATOM 76 CG1 VAL A 6 14.485 0.426 3.540 1.00 2.32 C ATOM 77 CG2 VAL A 6 14.105 -0.832 1.408 1.00 74.01 C ATOM 0 H VAL A 6 17.581 -1.596 1.496 1.00 54.51 H new ATOM 0 HA VAL A 6 16.143 0.959 1.349 1.00 11.32 H new ATOM 0 HB VAL A 6 15.342 -1.453 3.027 1.00 20.41 H new ATOM 0 HG11 VAL A 6 13.571 -0.012 3.941 1.00 2.32 H new ATOM 0 HG12 VAL A 6 15.194 0.593 4.351 1.00 2.32 H new ATOM 0 HG13 VAL A 6 14.252 1.377 3.061 1.00 2.32 H new ATOM 0 HG21 VAL A 6 13.196 -1.252 1.838 1.00 74.01 H new ATOM 0 HG22 VAL A 6 13.862 0.084 0.870 1.00 74.01 H new ATOM 0 HG23 VAL A 6 14.546 -1.552 0.718 1.00 74.01 H new ATOM 87 N SER A 7 17.571 -0.473 3.982 1.00 54.15 N ATOM 88 CA SER A 7 18.438 -0.222 5.127 1.00 54.12 C ATOM 89 C SER A 7 19.113 -1.509 5.589 1.00 21.33 C ATOM 90 O SER A 7 18.679 -2.609 5.245 1.00 34.05 O ATOM 91 CB SER A 7 17.634 0.388 6.277 1.00 24.34 C ATOM 92 OG SER A 7 17.540 1.795 6.144 1.00 42.40 O ATOM 0 H SER A 7 17.189 -1.418 3.942 1.00 54.15 H new ATOM 0 HA SER A 7 19.211 0.482 4.820 1.00 54.12 H new ATOM 0 HB2 SER A 7 16.634 -0.046 6.296 1.00 24.34 H new ATOM 0 HB3 SER A 7 18.107 0.140 7.227 1.00 24.34 H new ATOM 0 HG SER A 7 17.678 2.045 5.206 1.00 42.40 H new ATOM 98 N ILE A 8 20.178 -1.364 6.370 1.00 11.55 N ATOM 99 CA ILE A 8 20.913 -2.514 6.881 1.00 3.33 C ATOM 100 C ILE A 8 21.561 -2.200 8.226 1.00 55.53 C ATOM 101 O ILE A 8 21.888 -1.049 8.515 1.00 41.32 O ATOM 102 CB ILE A 8 22.004 -2.969 5.893 1.00 15.12 C ATOM 103 CG1 ILE A 8 23.044 -1.863 5.703 1.00 20.32 C ATOM 104 CG2 ILE A 8 21.382 -3.354 4.559 1.00 11.30 C ATOM 105 CD1 ILE A 8 24.470 -2.344 5.853 1.00 45.11 C ATOM 0 H ILE A 8 20.551 -0.461 6.663 1.00 11.55 H new ATOM 0 HA ILE A 8 20.189 -3.319 7.008 1.00 3.33 H new ATOM 0 HB ILE A 8 22.505 -3.845 6.305 1.00 15.12 H new ATOM 0 HG12 ILE A 8 22.919 -1.424 4.713 1.00 20.32 H new ATOM 0 HG13 ILE A 8 22.858 -1.071 6.429 1.00 20.32 H new ATOM 0 HG21 ILE A 8 22.165 -3.673 3.871 1.00 11.30 H new ATOM 0 HG22 ILE A 8 20.676 -4.170 4.709 1.00 11.30 H new ATOM 0 HG23 ILE A 8 20.859 -2.494 4.140 1.00 11.30 H new ATOM 0 HD11 ILE A 8 25.153 -1.508 5.706 1.00 45.11 H new ATOM 0 HD12 ILE A 8 24.612 -2.757 6.852 1.00 45.11 H new ATOM 0 HD13 ILE A 8 24.674 -3.115 5.110 1.00 45.11 H new ATOM 117 N SER A 9 21.744 -3.231 9.044 1.00 73.13 N ATOM 118 CA SER A 9 22.350 -3.065 10.359 1.00 24.32 C ATOM 119 C SER A 9 23.679 -3.811 10.443 1.00 73.12 C ATOM 120 O SER A 9 23.731 -5.030 10.276 1.00 3.23 O ATOM 121 CB SER A 9 21.401 -3.567 11.449 1.00 62.40 C ATOM 122 OG SER A 9 21.656 -2.922 12.684 1.00 10.44 O ATOM 0 H SER A 9 21.481 -4.190 8.819 1.00 73.13 H new ATOM 0 HA SER A 9 22.539 -2.003 10.513 1.00 24.32 H new ATOM 0 HB2 SER A 9 20.369 -3.388 11.148 1.00 62.40 H new ATOM 0 HB3 SER A 9 21.516 -4.644 11.567 1.00 62.40 H new ATOM 0 HG SER A 9 21.035 -3.259 13.363 1.00 10.44 H new ATOM 128 N VAL A 10 24.751 -3.070 10.702 1.00 42.31 N ATOM 129 CA VAL A 10 26.080 -3.659 10.809 1.00 65.21 C ATOM 130 C VAL A 10 26.670 -3.438 12.197 1.00 13.44 C ATOM 131 O VAL A 10 26.611 -2.334 12.739 1.00 43.32 O ATOM 132 CB VAL A 10 27.041 -3.074 9.756 1.00 15.24 C ATOM 133 CG1 VAL A 10 27.168 -1.568 9.928 1.00 13.24 C ATOM 134 CG2 VAL A 10 28.402 -3.746 9.846 1.00 43.23 C ATOM 0 H VAL A 10 24.725 -2.060 10.842 1.00 42.31 H new ATOM 0 HA VAL A 10 25.966 -4.728 10.632 1.00 65.21 H new ATOM 0 HB VAL A 10 26.630 -3.269 8.765 1.00 15.24 H new ATOM 0 HG11 VAL A 10 27.851 -1.172 9.176 1.00 13.24 H new ATOM 0 HG12 VAL A 10 26.189 -1.104 9.809 1.00 13.24 H new ATOM 0 HG13 VAL A 10 27.556 -1.347 10.922 1.00 13.24 H new ATOM 0 HG21 VAL A 10 29.068 -3.321 9.095 1.00 43.23 H new ATOM 0 HG22 VAL A 10 28.823 -3.584 10.838 1.00 43.23 H new ATOM 0 HG23 VAL A 10 28.292 -4.816 9.669 1.00 43.23 H new ATOM 144 N SER A 11 27.238 -4.495 12.769 1.00 40.33 N ATOM 145 CA SER A 11 27.836 -4.417 14.096 1.00 12.15 C ATOM 146 C SER A 11 29.345 -4.630 14.026 1.00 31.01 C ATOM 147 O SER A 11 29.871 -5.667 14.432 1.00 52.24 O ATOM 148 CB SER A 11 27.205 -5.457 15.025 1.00 42.24 C ATOM 149 OG SER A 11 25.790 -5.387 14.982 1.00 64.21 O ATOM 0 H SER A 11 27.296 -5.416 12.334 1.00 40.33 H new ATOM 0 HA SER A 11 27.646 -3.421 14.495 1.00 12.15 H new ATOM 0 HB2 SER A 11 27.532 -6.455 14.734 1.00 42.24 H new ATOM 0 HB3 SER A 11 27.550 -5.294 16.046 1.00 42.24 H new ATOM 0 HG SER A 11 25.413 -5.946 15.693 1.00 64.21 H new ATOM 155 N PRO A 12 30.060 -3.625 13.499 1.00 74.04 N ATOM 156 CA PRO A 12 31.518 -3.677 13.362 1.00 22.35 C ATOM 157 C PRO A 12 32.229 -3.606 14.710 1.00 41.04 C ATOM 158 O PRO A 12 31.784 -2.910 15.623 1.00 41.43 O ATOM 159 CB PRO A 12 31.841 -2.440 12.522 1.00 55.54 C ATOM 160 CG PRO A 12 30.714 -1.500 12.783 1.00 61.32 C ATOM 161 CD PRO A 12 29.499 -2.360 12.995 1.00 72.00 C ATOM 0 HA PRO A 12 31.852 -4.612 12.913 1.00 22.35 H new ATOM 0 HB2 PRO A 12 32.796 -2.003 12.812 1.00 55.54 H new ATOM 0 HB3 PRO A 12 31.912 -2.688 11.463 1.00 55.54 H new ATOM 0 HG2 PRO A 12 30.914 -0.884 13.660 1.00 61.32 H new ATOM 0 HG3 PRO A 12 30.570 -0.821 11.943 1.00 61.32 H new ATOM 0 HD2 PRO A 12 28.810 -1.912 13.711 1.00 72.00 H new ATOM 0 HD3 PRO A 12 28.944 -2.507 12.068 1.00 72.00 H new ATOM 169 N THR A 13 33.338 -4.330 14.828 1.00 74.51 N ATOM 170 CA THR A 13 34.110 -4.350 16.064 1.00 52.23 C ATOM 171 C THR A 13 35.505 -3.774 15.849 1.00 13.45 C ATOM 172 O THR A 13 36.323 -4.353 15.137 1.00 71.03 O ATOM 173 CB THR A 13 34.238 -5.779 16.624 1.00 55.00 C ATOM 174 OG1 THR A 13 32.983 -6.461 16.518 1.00 52.22 O ATOM 175 CG2 THR A 13 34.684 -5.752 18.078 1.00 65.32 C ATOM 0 H THR A 13 33.721 -4.910 14.082 1.00 74.51 H new ATOM 0 HA THR A 13 33.571 -3.733 16.783 1.00 52.23 H new ATOM 0 HB THR A 13 34.990 -6.309 16.039 1.00 55.00 H new ATOM 0 HG1 THR A 13 33.073 -7.369 16.875 1.00 52.22 H new ATOM 0 HG21 THR A 13 34.767 -6.772 18.452 1.00 65.32 H new ATOM 0 HG22 THR A 13 35.653 -5.258 18.152 1.00 65.32 H new ATOM 0 HG23 THR A 13 33.952 -5.206 18.673 1.00 65.32 H new ATOM 183 N ASN A 14 35.769 -2.630 16.472 1.00 3.50 N ATOM 184 CA ASN A 14 37.067 -1.975 16.349 1.00 13.21 C ATOM 185 C ASN A 14 38.021 -2.449 17.441 1.00 70.10 C ATOM 186 O ASN A 14 37.948 -1.996 18.583 1.00 5.40 O ATOM 187 CB ASN A 14 36.904 -0.455 16.423 1.00 34.44 C ATOM 188 CG ASN A 14 35.820 0.056 15.494 1.00 34.13 C ATOM 189 OD1 ASN A 14 34.637 -0.225 15.689 1.00 52.13 O ATOM 190 ND2 ASN A 14 36.220 0.811 14.478 1.00 75.34 N ATOM 0 H ASN A 14 35.102 -2.138 17.067 1.00 3.50 H new ATOM 0 HA ASN A 14 37.490 -2.242 15.381 1.00 13.21 H new ATOM 0 HB2 ASN A 14 36.666 -0.167 17.447 1.00 34.44 H new ATOM 0 HB3 ASN A 14 37.851 0.022 16.169 1.00 34.44 H new ATOM 0 HD21 ASN A 14 35.536 1.184 13.820 1.00 75.34 H new ATOM 0 HD22 ASN A 14 37.211 1.018 14.356 1.00 75.34 H new ATOM 197 N SER A 15 38.915 -3.364 17.081 1.00 23.21 N ATOM 198 CA SER A 15 39.882 -3.903 18.030 1.00 4.35 C ATOM 199 C SER A 15 41.058 -4.546 17.302 1.00 23.30 C ATOM 200 O SER A 15 41.208 -4.401 16.088 1.00 12.53 O ATOM 201 CB SER A 15 39.212 -4.928 18.947 1.00 64.41 C ATOM 202 OG SER A 15 39.506 -4.665 20.308 1.00 51.31 O ATOM 0 H SER A 15 38.990 -3.748 16.139 1.00 23.21 H new ATOM 0 HA SER A 15 40.259 -3.078 18.634 1.00 4.35 H new ATOM 0 HB2 SER A 15 38.133 -4.906 18.794 1.00 64.41 H new ATOM 0 HB3 SER A 15 39.551 -5.930 18.686 1.00 64.41 H new ATOM 0 HG SER A 15 39.065 -5.333 20.873 1.00 51.31 H new ATOM 208 N THR A 16 41.892 -5.260 18.052 1.00 3.23 N ATOM 209 CA THR A 16 43.056 -5.925 17.480 1.00 31.32 C ATOM 210 C THR A 16 42.822 -7.426 17.350 1.00 23.01 C ATOM 211 O THR A 16 42.036 -8.009 18.097 1.00 60.23 O ATOM 212 CB THR A 16 44.316 -5.685 18.333 1.00 30.41 C ATOM 213 OG1 THR A 16 45.393 -6.499 17.856 1.00 71.53 O ATOM 214 CG2 THR A 16 44.046 -5.999 19.797 1.00 65.40 C ATOM 0 H THR A 16 41.783 -5.392 19.057 1.00 3.23 H new ATOM 0 HA THR A 16 43.210 -5.497 16.490 1.00 31.32 H new ATOM 0 HB THR A 16 44.591 -4.634 18.248 1.00 30.41 H new ATOM 0 HG1 THR A 16 45.610 -6.247 16.934 1.00 71.53 H new ATOM 0 HG21 THR A 16 44.950 -5.822 20.380 1.00 65.40 H new ATOM 0 HG22 THR A 16 43.246 -5.357 20.165 1.00 65.40 H new ATOM 0 HG23 THR A 16 43.749 -7.043 19.896 1.00 65.40 H new ATOM 222 N VAL A 17 43.511 -8.047 16.398 1.00 72.14 N ATOM 223 CA VAL A 17 43.379 -9.481 16.171 1.00 64.41 C ATOM 224 C VAL A 17 44.745 -10.156 16.112 1.00 4.22 C ATOM 225 O VAL A 17 45.749 -9.521 15.790 1.00 1.21 O ATOM 226 CB VAL A 17 42.617 -9.776 14.865 1.00 1.23 C ATOM 227 CG1 VAL A 17 41.132 -9.495 15.039 1.00 43.12 C ATOM 228 CG2 VAL A 17 43.192 -8.960 13.718 1.00 40.44 C ATOM 0 H VAL A 17 44.166 -7.579 15.772 1.00 72.14 H new ATOM 0 HA VAL A 17 42.813 -9.883 17.012 1.00 64.41 H new ATOM 0 HB VAL A 17 42.737 -10.832 14.625 1.00 1.23 H new ATOM 0 HG11 VAL A 17 40.610 -9.709 14.107 1.00 43.12 H new ATOM 0 HG12 VAL A 17 40.733 -10.127 15.832 1.00 43.12 H new ATOM 0 HG13 VAL A 17 40.988 -8.447 15.303 1.00 43.12 H new ATOM 0 HG21 VAL A 17 42.642 -9.181 12.803 1.00 40.44 H new ATOM 0 HG22 VAL A 17 43.104 -7.898 13.947 1.00 40.44 H new ATOM 0 HG23 VAL A 17 44.243 -9.216 13.580 1.00 40.44 H new ATOM 238 N ALA A 18 44.776 -11.447 16.425 1.00 34.03 N ATOM 239 CA ALA A 18 46.018 -12.209 16.406 1.00 41.04 C ATOM 240 C ALA A 18 46.515 -12.412 14.978 1.00 2.34 C ATOM 241 O ALA A 18 45.755 -12.275 14.020 1.00 41.25 O ATOM 242 CB ALA A 18 45.825 -13.552 17.095 1.00 12.50 C ATOM 0 H ALA A 18 43.954 -11.987 16.695 1.00 34.03 H new ATOM 0 HA ALA A 18 46.773 -11.640 16.949 1.00 41.04 H new ATOM 0 HB1 ALA A 18 46.761 -14.110 17.073 1.00 12.50 H new ATOM 0 HB2 ALA A 18 45.523 -13.390 18.130 1.00 12.50 H new ATOM 0 HB3 ALA A 18 45.052 -14.119 16.576 1.00 12.50 H new ATOM 248 N LYS A 19 47.796 -12.738 14.844 1.00 62.22 N ATOM 249 CA LYS A 19 48.396 -12.961 13.534 1.00 50.44 C ATOM 250 C LYS A 19 47.747 -14.150 12.833 1.00 22.11 C ATOM 251 O LYS A 19 47.733 -15.261 13.361 1.00 74.32 O ATOM 252 CB LYS A 19 49.902 -13.196 13.673 1.00 73.15 C ATOM 253 CG LYS A 19 50.638 -13.225 12.344 1.00 10.13 C ATOM 254 CD LYS A 19 52.035 -13.804 12.494 1.00 51.05 C ATOM 255 CE LYS A 19 52.092 -15.250 12.024 1.00 0.34 C ATOM 256 NZ LYS A 19 51.938 -16.206 13.155 1.00 24.33 N ATOM 0 H LYS A 19 48.439 -12.854 15.627 1.00 62.22 H new ATOM 0 HA LYS A 19 48.228 -12.070 12.929 1.00 50.44 H new ATOM 0 HB2 LYS A 19 50.328 -12.411 14.298 1.00 73.15 H new ATOM 0 HB3 LYS A 19 50.068 -14.140 14.191 1.00 73.15 H new ATOM 0 HG2 LYS A 19 50.072 -13.819 11.626 1.00 10.13 H new ATOM 0 HG3 LYS A 19 50.703 -12.214 11.941 1.00 10.13 H new ATOM 0 HD2 LYS A 19 52.742 -13.205 11.919 1.00 51.05 H new ATOM 0 HD3 LYS A 19 52.344 -13.747 13.538 1.00 51.05 H new ATOM 0 HE2 LYS A 19 51.305 -15.425 11.291 1.00 0.34 H new ATOM 0 HE3 LYS A 19 53.042 -15.432 11.521 1.00 0.34 H new ATOM 0 HZ1 LYS A 19 51.982 -17.180 12.794 1.00 24.33 H new ATOM 0 HZ2 LYS A 19 52.704 -16.056 13.843 1.00 24.33 H new ATOM 0 HZ3 LYS A 19 51.020 -16.050 13.619 1.00 24.33 H new ATOM 270 N GLY A 20 47.212 -13.909 11.640 1.00 63.12 N ATOM 271 CA GLY A 20 46.571 -14.971 10.886 1.00 12.53 C ATOM 272 C GLY A 20 45.374 -15.554 11.610 1.00 15.43 C ATOM 273 O GLY A 20 45.526 -16.355 12.533 1.00 63.31 O ATOM 0 H GLY A 20 47.211 -12.998 11.182 1.00 63.12 H new ATOM 0 HA2 GLY A 20 46.253 -14.584 9.918 1.00 12.53 H new ATOM 0 HA3 GLY A 20 47.295 -15.762 10.691 1.00 12.53 H new ATOM 277 N LEU A 21 44.178 -15.150 11.194 1.00 64.22 N ATOM 278 CA LEU A 21 42.949 -15.637 11.810 1.00 11.21 C ATOM 279 C LEU A 21 41.724 -15.029 11.135 1.00 53.11 C ATOM 280 O LEU A 21 41.840 -14.092 10.346 1.00 52.32 O ATOM 281 CB LEU A 21 42.939 -15.307 13.304 1.00 54.23 C ATOM 282 CG LEU A 21 42.500 -16.435 14.237 1.00 31.45 C ATOM 283 CD1 LEU A 21 43.654 -17.391 14.499 1.00 0.54 C ATOM 284 CD2 LEU A 21 41.967 -15.869 15.545 1.00 12.23 C ATOM 0 H LEU A 21 44.034 -14.487 10.433 1.00 64.22 H new ATOM 0 HA LEU A 21 42.911 -16.719 11.683 1.00 11.21 H new ATOM 0 HB2 LEU A 21 43.942 -14.993 13.593 1.00 54.23 H new ATOM 0 HB3 LEU A 21 42.280 -14.454 13.463 1.00 54.23 H new ATOM 0 HG LEU A 21 41.698 -16.990 13.751 1.00 31.45 H new ATOM 0 HD11 LEU A 21 43.323 -18.187 15.165 1.00 0.54 H new ATOM 0 HD12 LEU A 21 43.990 -17.823 13.556 1.00 0.54 H new ATOM 0 HD13 LEU A 21 44.478 -16.849 14.964 1.00 0.54 H new ATOM 0 HD21 LEU A 21 41.659 -16.687 16.197 1.00 12.23 H new ATOM 0 HD22 LEU A 21 42.748 -15.289 16.035 1.00 12.23 H new ATOM 0 HD23 LEU A 21 41.111 -15.226 15.341 1.00 12.23 H new ATOM 296 N GLN A 22 40.551 -15.568 11.453 1.00 50.34 N ATOM 297 CA GLN A 22 39.304 -15.077 10.877 1.00 4.34 C ATOM 298 C GLN A 22 38.320 -14.678 11.972 1.00 52.23 C ATOM 299 O GLN A 22 38.212 -15.349 12.997 1.00 25.31 O ATOM 300 CB GLN A 22 38.679 -16.143 9.976 1.00 1.12 C ATOM 301 CG GLN A 22 39.084 -16.019 8.516 1.00 31.22 C ATOM 302 CD GLN A 22 38.198 -16.833 7.594 1.00 55.21 C ATOM 303 OE1 GLN A 22 37.473 -16.282 6.764 1.00 5.33 O ATOM 304 NE2 GLN A 22 38.250 -18.152 7.734 1.00 60.21 N ATOM 0 H GLN A 22 40.438 -16.344 12.106 1.00 50.34 H new ATOM 0 HA GLN A 22 39.531 -14.195 10.279 1.00 4.34 H new ATOM 0 HB2 GLN A 22 38.965 -17.129 10.341 1.00 1.12 H new ATOM 0 HB3 GLN A 22 37.593 -16.079 10.050 1.00 1.12 H new ATOM 0 HG2 GLN A 22 39.045 -14.971 8.220 1.00 31.22 H new ATOM 0 HG3 GLN A 22 40.118 -16.344 8.401 1.00 31.22 H new ATOM 0 HE21 GLN A 22 38.865 -18.567 8.434 1.00 60.21 H new ATOM 0 HE22 GLN A 22 37.675 -18.751 7.141 1.00 60.21 H new ATOM 313 N GLU A 23 37.604 -13.581 11.746 1.00 51.33 N ATOM 314 CA GLU A 23 36.629 -13.093 12.714 1.00 1.51 C ATOM 315 C GLU A 23 35.232 -13.041 12.101 1.00 5.34 C ATOM 316 O GLU A 23 35.075 -12.773 10.911 1.00 1.41 O ATOM 317 CB GLU A 23 37.029 -11.704 13.218 1.00 72.12 C ATOM 318 CG GLU A 23 37.751 -11.726 14.554 1.00 31.15 C ATOM 319 CD GLU A 23 36.802 -11.621 15.732 1.00 14.12 C ATOM 320 OE1 GLU A 23 36.016 -10.651 15.777 1.00 25.14 O ATOM 321 OE2 GLU A 23 36.844 -12.509 16.609 1.00 62.51 O ATOM 0 H GLU A 23 37.681 -13.014 10.902 1.00 51.33 H new ATOM 0 HA GLU A 23 36.612 -13.786 13.555 1.00 1.51 H new ATOM 0 HB2 GLU A 23 37.670 -11.228 12.476 1.00 72.12 H new ATOM 0 HB3 GLU A 23 36.134 -11.088 13.308 1.00 72.12 H new ATOM 0 HG2 GLU A 23 38.326 -12.648 14.637 1.00 31.15 H new ATOM 0 HG3 GLU A 23 38.463 -10.902 14.591 1.00 31.15 H new ATOM 328 N ASN A 24 34.222 -13.300 12.924 1.00 34.14 N ATOM 329 CA ASN A 24 32.838 -13.284 12.464 1.00 32.41 C ATOM 330 C ASN A 24 32.031 -12.222 13.204 1.00 54.13 C ATOM 331 O ASN A 24 32.189 -12.034 14.410 1.00 23.11 O ATOM 332 CB ASN A 24 32.196 -14.659 12.664 1.00 64.11 C ATOM 333 CG ASN A 24 31.721 -14.874 14.088 1.00 42.11 C ATOM 334 OD1 ASN A 24 32.487 -15.302 14.952 1.00 51.13 O ATOM 335 ND2 ASN A 24 30.451 -14.577 14.339 1.00 64.02 N ATOM 0 H ASN A 24 34.335 -13.523 13.913 1.00 34.14 H new ATOM 0 HA ASN A 24 32.838 -13.041 11.401 1.00 32.41 H new ATOM 0 HB2 ASN A 24 31.352 -14.765 11.982 1.00 64.11 H new ATOM 0 HB3 ASN A 24 32.916 -15.435 12.403 1.00 64.11 H new ATOM 0 HD21 ASN A 24 30.074 -14.701 15.279 1.00 64.02 H new ATOM 0 HD22 ASN A 24 29.852 -14.225 13.592 1.00 64.02 H new ATOM 342 N PHE A 25 31.164 -11.529 12.472 1.00 32.50 N ATOM 343 CA PHE A 25 30.331 -10.485 13.058 1.00 63.32 C ATOM 344 C PHE A 25 28.853 -10.757 12.796 1.00 71.41 C ATOM 345 O PHE A 25 28.480 -11.837 12.336 1.00 21.03 O ATOM 346 CB PHE A 25 30.718 -9.118 12.491 1.00 11.53 C ATOM 347 CG PHE A 25 32.201 -8.883 12.450 1.00 31.04 C ATOM 348 CD1 PHE A 25 32.988 -9.148 13.559 1.00 24.42 C ATOM 349 CD2 PHE A 25 32.808 -8.398 11.303 1.00 14.21 C ATOM 350 CE1 PHE A 25 34.353 -8.933 13.524 1.00 1.33 C ATOM 351 CE2 PHE A 25 34.172 -8.181 11.262 1.00 0.52 C ATOM 352 CZ PHE A 25 34.946 -8.449 12.374 1.00 32.41 C ATOM 0 H PHE A 25 31.020 -11.672 11.472 1.00 32.50 H new ATOM 0 HA PHE A 25 30.496 -10.484 14.135 1.00 63.32 H new ATOM 0 HB2 PHE A 25 30.316 -9.025 11.482 1.00 11.53 H new ATOM 0 HB3 PHE A 25 30.251 -8.339 13.093 1.00 11.53 H new ATOM 0 HD1 PHE A 25 32.530 -9.527 14.461 1.00 24.42 H new ATOM 0 HD2 PHE A 25 32.208 -8.187 10.430 1.00 14.21 H new ATOM 0 HE1 PHE A 25 34.956 -9.143 14.395 1.00 1.33 H new ATOM 0 HE2 PHE A 25 34.632 -7.802 10.361 1.00 0.52 H new ATOM 0 HZ PHE A 25 36.012 -8.281 12.345 1.00 32.41 H new ATOM 362 N LYS A 26 28.014 -9.770 13.092 1.00 23.34 N ATOM 363 CA LYS A 26 26.576 -9.900 12.889 1.00 23.54 C ATOM 364 C LYS A 26 26.027 -8.709 12.111 1.00 72.41 C ATOM 365 O LYS A 26 26.244 -7.558 12.485 1.00 1.45 O ATOM 366 CB LYS A 26 25.859 -10.018 14.236 1.00 11.00 C ATOM 367 CG LYS A 26 26.076 -8.822 15.147 1.00 32.21 C ATOM 368 CD LYS A 26 25.793 -9.169 16.599 1.00 23.13 C ATOM 369 CE LYS A 26 26.789 -8.502 17.536 1.00 64.24 C ATOM 370 NZ LYS A 26 27.945 -9.390 17.840 1.00 63.55 N ATOM 0 H LYS A 26 28.306 -8.870 13.474 1.00 23.34 H new ATOM 0 HA LYS A 26 26.396 -10.805 12.308 1.00 23.54 H new ATOM 0 HB2 LYS A 26 24.790 -10.141 14.060 1.00 11.00 H new ATOM 0 HB3 LYS A 26 26.204 -10.919 14.744 1.00 11.00 H new ATOM 0 HG2 LYS A 26 27.103 -8.471 15.049 1.00 32.21 H new ATOM 0 HG3 LYS A 26 25.428 -8.003 14.835 1.00 32.21 H new ATOM 0 HD2 LYS A 26 24.782 -8.856 16.859 1.00 23.13 H new ATOM 0 HD3 LYS A 26 25.836 -10.250 16.731 1.00 23.13 H new ATOM 0 HE2 LYS A 26 27.150 -7.578 17.084 1.00 64.24 H new ATOM 0 HE3 LYS A 26 26.287 -8.228 18.464 1.00 64.24 H new ATOM 0 HZ1 LYS A 26 28.601 -8.899 18.481 1.00 63.55 H new ATOM 0 HZ2 LYS A 26 27.604 -10.261 18.294 1.00 63.55 H new ATOM 0 HZ3 LYS A 26 28.439 -9.631 16.957 1.00 63.55 H new ATOM 384 N ALA A 27 25.313 -8.995 11.027 1.00 70.31 N ATOM 385 CA ALA A 27 24.729 -7.948 10.198 1.00 5.43 C ATOM 386 C ALA A 27 23.314 -8.315 9.765 1.00 43.32 C ATOM 387 O ALA A 27 23.107 -9.297 9.051 1.00 51.41 O ATOM 388 CB ALA A 27 25.605 -7.688 8.982 1.00 45.33 C ATOM 0 H ALA A 27 25.125 -9.944 10.703 1.00 70.31 H new ATOM 0 HA ALA A 27 24.673 -7.037 10.793 1.00 5.43 H new ATOM 0 HB1 ALA A 27 25.157 -6.904 8.372 1.00 45.33 H new ATOM 0 HB2 ALA A 27 26.596 -7.372 9.308 1.00 45.33 H new ATOM 0 HB3 ALA A 27 25.691 -8.601 8.393 1.00 45.33 H new ATOM 394 N THR A 28 22.342 -7.520 10.201 1.00 33.44 N ATOM 395 CA THR A 28 20.946 -7.763 9.860 1.00 13.01 C ATOM 396 C THR A 28 20.431 -6.720 8.874 1.00 24.05 C ATOM 397 O THR A 28 20.293 -5.546 9.214 1.00 0.21 O ATOM 398 CB THR A 28 20.051 -7.753 11.114 1.00 70.01 C ATOM 399 OG1 THR A 28 20.632 -8.570 12.137 1.00 74.14 O ATOM 400 CG2 THR A 28 18.654 -8.259 10.786 1.00 42.50 C ATOM 0 H THR A 28 22.496 -6.702 10.791 1.00 33.44 H new ATOM 0 HA THR A 28 20.901 -8.749 9.398 1.00 13.01 H new ATOM 0 HB THR A 28 19.974 -6.726 11.470 1.00 70.01 H new ATOM 0 HG1 THR A 28 20.058 -8.557 12.931 1.00 74.14 H new ATOM 0 HG21 THR A 28 18.040 -8.243 11.687 1.00 42.50 H new ATOM 0 HG22 THR A 28 18.203 -7.618 10.028 1.00 42.50 H new ATOM 0 HG23 THR A 28 18.716 -9.279 10.408 1.00 42.50 H new ATOM 408 N GLY A 29 20.149 -7.157 7.651 1.00 73.21 N ATOM 409 CA GLY A 29 19.652 -6.248 6.635 1.00 71.13 C ATOM 410 C GLY A 29 18.149 -6.062 6.708 1.00 44.31 C ATOM 411 O GLY A 29 17.409 -7.019 6.934 1.00 20.24 O ATOM 0 H GLY A 29 20.256 -8.124 7.345 1.00 73.21 H new ATOM 0 HA2 GLY A 29 20.141 -5.280 6.747 1.00 71.13 H new ATOM 0 HA3 GLY A 29 19.920 -6.628 5.649 1.00 71.13 H new ATOM 415 N ILE A 30 17.698 -4.827 6.518 1.00 41.43 N ATOM 416 CA ILE A 30 16.274 -4.519 6.564 1.00 2.40 C ATOM 417 C ILE A 30 15.797 -3.924 5.243 1.00 31.42 C ATOM 418 O ILE A 30 16.113 -2.781 4.914 1.00 11.23 O ATOM 419 CB ILE A 30 15.948 -3.536 7.704 1.00 54.41 C ATOM 420 CG1 ILE A 30 16.391 -4.115 9.049 1.00 75.11 C ATOM 421 CG2 ILE A 30 14.459 -3.220 7.721 1.00 24.21 C ATOM 422 CD1 ILE A 30 17.206 -3.152 9.883 1.00 51.22 C ATOM 0 H ILE A 30 18.298 -4.024 6.331 1.00 41.43 H new ATOM 0 HA ILE A 30 15.753 -5.459 6.745 1.00 2.40 H new ATOM 0 HB ILE A 30 16.495 -2.609 7.532 1.00 54.41 H new ATOM 0 HG12 ILE A 30 15.509 -4.415 9.614 1.00 75.11 H new ATOM 0 HG13 ILE A 30 16.978 -5.016 8.872 1.00 75.11 H new ATOM 0 HG21 ILE A 30 14.244 -2.524 8.532 1.00 24.21 H new ATOM 0 HG22 ILE A 30 14.172 -2.770 6.771 1.00 24.21 H new ATOM 0 HG23 ILE A 30 13.894 -4.140 7.872 1.00 24.21 H new ATOM 0 HD11 ILE A 30 17.485 -3.630 10.822 1.00 51.22 H new ATOM 0 HD12 ILE A 30 18.107 -2.870 9.337 1.00 51.22 H new ATOM 0 HD13 ILE A 30 16.614 -2.261 10.091 1.00 51.22 H new ATOM 434 N PHE A 31 15.032 -4.708 4.490 1.00 25.31 N ATOM 435 CA PHE A 31 14.510 -4.260 3.205 1.00 40.34 C ATOM 436 C PHE A 31 13.059 -3.807 3.335 1.00 33.14 C ATOM 437 O PHE A 31 12.445 -3.948 4.394 1.00 54.14 O ATOM 438 CB PHE A 31 14.615 -5.381 2.168 1.00 1.43 C ATOM 439 CG PHE A 31 15.965 -5.469 1.516 1.00 22.42 C ATOM 440 CD1 PHE A 31 17.108 -5.093 2.204 1.00 55.21 C ATOM 441 CD2 PHE A 31 16.092 -5.929 0.215 1.00 31.23 C ATOM 442 CE1 PHE A 31 18.352 -5.174 1.607 1.00 54.41 C ATOM 443 CE2 PHE A 31 17.333 -6.013 -0.387 1.00 1.33 C ATOM 444 CZ PHE A 31 18.464 -5.633 0.309 1.00 22.34 C ATOM 0 H PHE A 31 14.760 -5.657 4.748 1.00 25.31 H new ATOM 0 HA PHE A 31 15.109 -3.411 2.874 1.00 40.34 H new ATOM 0 HB2 PHE A 31 14.390 -6.333 2.649 1.00 1.43 H new ATOM 0 HB3 PHE A 31 13.858 -5.226 1.399 1.00 1.43 H new ATOM 0 HD1 PHE A 31 17.026 -4.732 3.219 1.00 55.21 H new ATOM 0 HD2 PHE A 31 15.211 -6.225 -0.335 1.00 31.23 H new ATOM 0 HE1 PHE A 31 19.235 -4.879 2.154 1.00 54.41 H new ATOM 0 HE2 PHE A 31 17.419 -6.375 -1.401 1.00 1.33 H new ATOM 0 HZ PHE A 31 19.434 -5.695 -0.161 1.00 22.34 H new ATOM 454 N THR A 32 12.515 -3.262 2.252 1.00 41.43 N ATOM 455 CA THR A 32 11.137 -2.786 2.244 1.00 25.23 C ATOM 456 C THR A 32 10.155 -3.947 2.349 1.00 52.11 C ATOM 457 O THR A 32 8.995 -3.759 2.716 1.00 73.32 O ATOM 458 CB THR A 32 10.828 -1.980 0.969 1.00 42.12 C ATOM 459 OG1 THR A 32 11.905 -2.110 0.034 1.00 2.41 O ATOM 460 CG2 THR A 32 10.609 -0.511 1.297 1.00 0.22 C ATOM 0 H THR A 32 13.008 -3.139 1.368 1.00 41.43 H new ATOM 0 HA THR A 32 11.022 -2.136 3.111 1.00 25.23 H new ATOM 0 HB THR A 32 9.914 -2.377 0.527 1.00 42.12 H new ATOM 0 HG1 THR A 32 12.054 -3.058 -0.164 1.00 2.41 H new ATOM 0 HG21 THR A 32 10.392 0.038 0.381 1.00 0.22 H new ATOM 0 HG22 THR A 32 9.770 -0.413 1.986 1.00 0.22 H new ATOM 0 HG23 THR A 32 11.508 -0.104 1.760 1.00 0.22 H new ATOM 468 N ASP A 33 10.626 -5.146 2.025 1.00 2.10 N ATOM 469 CA ASP A 33 9.789 -6.338 2.084 1.00 33.34 C ATOM 470 C ASP A 33 9.769 -6.919 3.495 1.00 1.20 C ATOM 471 O ASP A 33 9.213 -7.991 3.728 1.00 73.03 O ATOM 472 CB ASP A 33 10.291 -7.390 1.094 1.00 54.13 C ATOM 473 CG ASP A 33 11.421 -8.227 1.661 1.00 53.45 C ATOM 474 OD1 ASP A 33 12.242 -7.676 2.423 1.00 2.15 O ATOM 475 OD2 ASP A 33 11.483 -9.432 1.342 1.00 62.20 O ATOM 0 H ASP A 33 11.584 -5.318 1.719 1.00 2.10 H new ATOM 0 HA ASP A 33 8.773 -6.051 1.813 1.00 33.34 H new ATOM 0 HB2 ASP A 33 9.465 -8.043 0.813 1.00 54.13 H new ATOM 0 HB3 ASP A 33 10.631 -6.895 0.184 1.00 54.13 H new ATOM 480 N ASN A 34 10.381 -6.203 4.433 1.00 44.04 N ATOM 481 CA ASN A 34 10.436 -6.648 5.820 1.00 33.14 C ATOM 482 C ASN A 34 10.708 -8.147 5.901 1.00 63.03 C ATOM 483 O ASN A 34 10.162 -8.843 6.757 1.00 42.31 O ATOM 484 CB ASN A 34 9.124 -6.318 6.535 1.00 12.13 C ATOM 485 CG ASN A 34 7.934 -7.023 5.914 1.00 15.10 C ATOM 486 OD1 ASN A 34 7.386 -6.571 4.908 1.00 32.03 O ATOM 487 ND2 ASN A 34 7.527 -8.137 6.512 1.00 4.33 N ATOM 0 H ASN A 34 10.846 -5.312 4.257 1.00 44.04 H new ATOM 0 HA ASN A 34 11.254 -6.121 6.312 1.00 33.14 H new ATOM 0 HB2 ASN A 34 9.204 -6.602 7.584 1.00 12.13 H new ATOM 0 HB3 ASN A 34 8.960 -5.241 6.508 1.00 12.13 H new ATOM 0 HD21 ASN A 34 6.731 -8.654 6.139 1.00 4.33 H new ATOM 0 HD22 ASN A 34 8.011 -8.475 7.344 1.00 4.33 H new ATOM 494 N SER A 35 11.557 -8.637 5.003 1.00 21.51 N ATOM 495 CA SER A 35 11.900 -10.054 4.970 1.00 63.31 C ATOM 496 C SER A 35 13.069 -10.308 4.022 1.00 34.20 C ATOM 497 O SER A 35 12.972 -11.122 3.104 1.00 11.14 O ATOM 498 CB SER A 35 10.689 -10.884 4.539 1.00 65.12 C ATOM 499 OG SER A 35 9.847 -11.168 5.642 1.00 21.33 O ATOM 0 H SER A 35 12.020 -8.074 4.289 1.00 21.51 H new ATOM 0 HA SER A 35 12.198 -10.354 5.975 1.00 63.31 H new ATOM 0 HB2 SER A 35 10.126 -10.344 3.778 1.00 65.12 H new ATOM 0 HB3 SER A 35 11.026 -11.816 4.085 1.00 65.12 H new ATOM 0 HG SER A 35 9.983 -10.493 6.339 1.00 21.33 H new ATOM 505 N ASN A 36 14.173 -9.605 4.252 1.00 54.21 N ATOM 506 CA ASN A 36 15.360 -9.753 3.419 1.00 44.42 C ATOM 507 C ASN A 36 16.630 -9.597 4.250 1.00 45.44 C ATOM 508 O ASN A 36 16.682 -8.791 5.178 1.00 12.55 O ATOM 509 CB ASN A 36 15.347 -8.722 2.288 1.00 3.32 C ATOM 510 CG ASN A 36 16.133 -9.183 1.076 1.00 71.21 C ATOM 511 OD1 ASN A 36 15.570 -9.739 0.133 1.00 62.34 O ATOM 512 ND2 ASN A 36 17.441 -8.954 1.096 1.00 32.13 N ATOM 0 H ASN A 36 14.270 -8.927 5.008 1.00 54.21 H new ATOM 0 HA ASN A 36 15.349 -10.754 2.989 1.00 44.42 H new ATOM 0 HB2 ASN A 36 14.317 -8.522 1.995 1.00 3.32 H new ATOM 0 HB3 ASN A 36 15.763 -7.783 2.652 1.00 3.32 H new ATOM 0 HD21 ASN A 36 18.021 -9.242 0.308 1.00 32.13 H new ATOM 0 HD22 ASN A 36 17.865 -8.490 1.899 1.00 32.13 H new ATOM 519 N SER A 37 17.654 -10.373 3.908 1.00 73.20 N ATOM 520 CA SER A 37 18.923 -10.324 4.624 1.00 41.01 C ATOM 521 C SER A 37 19.941 -9.477 3.867 1.00 43.22 C ATOM 522 O SER A 37 19.761 -9.178 2.686 1.00 1.32 O ATOM 523 CB SER A 37 19.471 -11.737 4.831 1.00 64.25 C ATOM 524 OG SER A 37 19.465 -12.469 3.617 1.00 33.32 O ATOM 0 H SER A 37 17.629 -11.043 3.139 1.00 73.20 H new ATOM 0 HA SER A 37 18.746 -9.865 5.597 1.00 41.01 H new ATOM 0 HB2 SER A 37 20.487 -11.683 5.222 1.00 64.25 H new ATOM 0 HB3 SER A 37 18.870 -12.258 5.576 1.00 64.25 H new ATOM 0 HG SER A 37 19.821 -13.368 3.775 1.00 33.32 H new ATOM 530 N ASP A 38 21.011 -9.094 4.555 1.00 11.40 N ATOM 531 CA ASP A 38 22.060 -8.282 3.949 1.00 54.42 C ATOM 532 C ASP A 38 23.028 -9.151 3.153 1.00 51.25 C ATOM 533 O ASP A 38 23.876 -9.837 3.725 1.00 54.34 O ATOM 534 CB ASP A 38 22.819 -7.505 5.025 1.00 2.33 C ATOM 535 CG ASP A 38 24.024 -6.772 4.469 1.00 51.32 C ATOM 536 OD1 ASP A 38 23.835 -5.895 3.600 1.00 1.22 O ATOM 537 OD2 ASP A 38 25.156 -7.075 4.901 1.00 34.52 O ATOM 0 H ASP A 38 21.175 -9.333 5.533 1.00 11.40 H new ATOM 0 HA ASP A 38 21.589 -7.575 3.266 1.00 54.42 H new ATOM 0 HB2 ASP A 38 22.146 -6.788 5.494 1.00 2.33 H new ATOM 0 HB3 ASP A 38 23.144 -8.194 5.805 1.00 2.33 H new ATOM 542 N ILE A 39 22.895 -9.118 1.831 1.00 40.51 N ATOM 543 CA ILE A 39 23.758 -9.902 0.957 1.00 62.21 C ATOM 544 C ILE A 39 23.347 -9.748 -0.504 1.00 24.44 C ATOM 545 O ILE A 39 24.195 -9.659 -1.393 1.00 34.30 O ATOM 546 CB ILE A 39 23.731 -11.396 1.332 1.00 53.33 C ATOM 547 CG1 ILE A 39 24.404 -12.230 0.240 1.00 24.35 C ATOM 548 CG2 ILE A 39 22.299 -11.860 1.553 1.00 11.01 C ATOM 549 CD1 ILE A 39 23.434 -12.802 -0.769 1.00 35.44 C ATOM 0 H ILE A 39 22.198 -8.557 1.342 1.00 40.51 H new ATOM 0 HA ILE A 39 24.771 -9.521 1.089 1.00 62.21 H new ATOM 0 HB ILE A 39 24.285 -11.533 2.261 1.00 53.33 H new ATOM 0 HG12 ILE A 39 25.134 -11.610 -0.281 1.00 24.35 H new ATOM 0 HG13 ILE A 39 24.955 -13.047 0.706 1.00 24.35 H new ATOM 0 HG21 ILE A 39 22.296 -12.917 1.817 1.00 11.01 H new ATOM 0 HG22 ILE A 39 21.850 -11.283 2.361 1.00 11.01 H new ATOM 0 HG23 ILE A 39 21.724 -11.713 0.639 1.00 11.01 H new ATOM 0 HD11 ILE A 39 23.982 -13.381 -1.513 1.00 35.44 H new ATOM 0 HD12 ILE A 39 22.719 -13.449 -0.260 1.00 35.44 H new ATOM 0 HD13 ILE A 39 22.901 -11.989 -1.263 1.00 35.44 H new ATOM 561 N THR A 40 22.040 -9.716 -0.745 1.00 24.11 N ATOM 562 CA THR A 40 21.516 -9.572 -2.097 1.00 61.21 C ATOM 563 C THR A 40 21.850 -8.201 -2.673 1.00 64.14 C ATOM 564 O THR A 40 22.007 -8.048 -3.885 1.00 1.22 O ATOM 565 CB THR A 40 19.989 -9.773 -2.132 1.00 3.10 C ATOM 566 OG1 THR A 40 19.645 -11.023 -1.524 1.00 45.10 O ATOM 567 CG2 THR A 40 19.472 -9.739 -3.562 1.00 73.30 C ATOM 0 H THR A 40 21.325 -9.788 -0.021 1.00 24.11 H new ATOM 0 HA THR A 40 21.991 -10.343 -2.704 1.00 61.21 H new ATOM 0 HB THR A 40 19.525 -8.959 -1.575 1.00 3.10 H new ATOM 0 HG1 THR A 40 18.673 -11.142 -1.549 1.00 45.10 H new ATOM 0 HG21 THR A 40 18.392 -9.883 -3.562 1.00 73.30 H new ATOM 0 HG22 THR A 40 19.709 -8.775 -4.012 1.00 73.30 H new ATOM 0 HG23 THR A 40 19.944 -10.535 -4.139 1.00 73.30 H new ATOM 575 N ASP A 41 21.959 -7.207 -1.798 1.00 72.45 N ATOM 576 CA ASP A 41 22.277 -5.848 -2.221 1.00 34.23 C ATOM 577 C ASP A 41 23.677 -5.780 -2.823 1.00 14.42 C ATOM 578 O ASP A 41 24.016 -4.823 -3.519 1.00 23.22 O ATOM 579 CB ASP A 41 22.169 -4.885 -1.037 1.00 62.42 C ATOM 580 CG ASP A 41 21.362 -3.646 -1.371 1.00 21.15 C ATOM 581 OD1 ASP A 41 21.309 -3.276 -2.562 1.00 12.02 O ATOM 582 OD2 ASP A 41 20.785 -3.046 -0.440 1.00 15.40 O ATOM 0 H ASP A 41 21.832 -7.317 -0.792 1.00 72.45 H new ATOM 0 HA ASP A 41 21.558 -5.553 -2.986 1.00 34.23 H new ATOM 0 HB2 ASP A 41 21.707 -5.400 -0.195 1.00 62.42 H new ATOM 0 HB3 ASP A 41 23.169 -4.589 -0.720 1.00 62.42 H new ATOM 587 N GLN A 42 24.484 -6.799 -2.549 1.00 32.33 N ATOM 588 CA GLN A 42 25.847 -6.853 -3.062 1.00 45.11 C ATOM 589 C GLN A 42 26.712 -5.770 -2.424 1.00 62.55 C ATOM 590 O GLN A 42 27.396 -5.018 -3.119 1.00 32.20 O ATOM 591 CB GLN A 42 25.849 -6.693 -4.583 1.00 72.04 C ATOM 592 CG GLN A 42 24.763 -7.497 -5.281 1.00 24.24 C ATOM 593 CD GLN A 42 25.147 -7.894 -6.692 1.00 61.34 C ATOM 594 OE1 GLN A 42 26.006 -7.268 -7.314 1.00 61.10 O ATOM 595 NE2 GLN A 42 24.511 -8.940 -7.207 1.00 61.21 N ATOM 0 H GLN A 42 24.217 -7.599 -1.974 1.00 32.33 H new ATOM 0 HA GLN A 42 26.266 -7.826 -2.806 1.00 45.11 H new ATOM 0 HB2 GLN A 42 25.724 -5.639 -4.829 1.00 72.04 H new ATOM 0 HB3 GLN A 42 26.821 -6.998 -4.971 1.00 72.04 H new ATOM 0 HG2 GLN A 42 24.551 -8.395 -4.700 1.00 24.24 H new ATOM 0 HG3 GLN A 42 23.844 -6.911 -5.310 1.00 24.24 H new ATOM 0 HE21 GLN A 42 23.806 -9.430 -6.656 1.00 61.21 H new ATOM 0 HE22 GLN A 42 24.728 -9.253 -8.153 1.00 61.21 H new ATOM 604 N VAL A 43 26.677 -5.697 -1.098 1.00 21.13 N ATOM 605 CA VAL A 43 27.458 -4.707 -0.366 1.00 22.12 C ATOM 606 C VAL A 43 28.916 -4.717 -0.813 1.00 34.11 C ATOM 607 O VAL A 43 29.503 -5.777 -1.033 1.00 34.23 O ATOM 608 CB VAL A 43 27.397 -4.955 1.153 1.00 12.11 C ATOM 609 CG1 VAL A 43 25.954 -5.096 1.613 1.00 31.14 C ATOM 610 CG2 VAL A 43 28.207 -6.188 1.524 1.00 14.15 C ATOM 0 H VAL A 43 26.116 -6.312 -0.508 1.00 21.13 H new ATOM 0 HA VAL A 43 27.020 -3.733 -0.586 1.00 22.12 H new ATOM 0 HB VAL A 43 27.833 -4.096 1.662 1.00 12.11 H new ATOM 0 HG11 VAL A 43 25.930 -5.271 2.689 1.00 31.14 H new ATOM 0 HG12 VAL A 43 25.407 -4.182 1.382 1.00 31.14 H new ATOM 0 HG13 VAL A 43 25.489 -5.937 1.099 1.00 31.14 H new ATOM 0 HG21 VAL A 43 28.153 -6.348 2.601 1.00 14.15 H new ATOM 0 HG22 VAL A 43 27.803 -7.058 1.007 1.00 14.15 H new ATOM 0 HG23 VAL A 43 29.247 -6.042 1.231 1.00 14.15 H new ATOM 620 N THR A 44 29.497 -3.529 -0.946 1.00 14.44 N ATOM 621 CA THR A 44 30.886 -3.400 -1.367 1.00 53.30 C ATOM 622 C THR A 44 31.817 -3.295 -0.165 1.00 65.11 C ATOM 623 O THR A 44 31.648 -2.425 0.689 1.00 23.12 O ATOM 624 CB THR A 44 31.087 -2.166 -2.267 1.00 64.35 C ATOM 625 OG1 THR A 44 30.095 -1.177 -1.973 1.00 73.21 O ATOM 626 CG2 THR A 44 31.008 -2.550 -3.737 1.00 75.53 C ATOM 0 H THR A 44 29.026 -2.642 -0.768 1.00 14.44 H new ATOM 0 HA THR A 44 31.130 -4.298 -1.934 1.00 53.30 H new ATOM 0 HB THR A 44 32.077 -1.756 -2.067 1.00 64.35 H new ATOM 0 HG1 THR A 44 30.091 -0.993 -1.010 1.00 73.21 H new ATOM 0 HG21 THR A 44 31.153 -1.663 -4.353 1.00 75.53 H new ATOM 0 HG22 THR A 44 31.784 -3.280 -3.964 1.00 75.53 H new ATOM 0 HG23 THR A 44 30.030 -2.983 -3.948 1.00 75.53 H new ATOM 634 N TRP A 45 32.801 -4.186 -0.106 1.00 12.31 N ATOM 635 CA TRP A 45 33.761 -4.192 0.992 1.00 35.35 C ATOM 636 C TRP A 45 35.156 -3.827 0.498 1.00 31.23 C ATOM 637 O TRP A 45 35.468 -3.986 -0.682 1.00 73.30 O ATOM 638 CB TRP A 45 33.787 -5.566 1.665 1.00 4.21 C ATOM 639 CG TRP A 45 33.900 -6.701 0.693 1.00 34.11 C ATOM 640 CD1 TRP A 45 35.023 -7.104 0.029 1.00 3.15 C ATOM 641 CD2 TRP A 45 32.848 -7.578 0.274 1.00 1.05 C ATOM 642 NE1 TRP A 45 34.734 -8.178 -0.777 1.00 35.35 N ATOM 643 CE2 TRP A 45 33.406 -8.489 -0.644 1.00 21.14 C ATOM 644 CE3 TRP A 45 31.490 -7.684 0.587 1.00 2.42 C ATOM 645 CZ2 TRP A 45 32.652 -9.490 -1.251 1.00 11.43 C ATOM 646 CZ3 TRP A 45 30.743 -8.677 -0.016 1.00 50.05 C ATOM 647 CH2 TRP A 45 31.325 -9.570 -0.926 1.00 51.22 C ATOM 0 H TRP A 45 32.955 -4.913 -0.805 1.00 12.31 H new ATOM 0 HA TRP A 45 33.448 -3.444 1.720 1.00 35.35 H new ATOM 0 HB2 TRP A 45 34.626 -5.607 2.359 1.00 4.21 H new ATOM 0 HB3 TRP A 45 32.879 -5.691 2.255 1.00 4.21 H new ATOM 0 HD1 TRP A 45 35.996 -6.645 0.124 1.00 3.15 H new ATOM 0 HE1 TRP A 45 35.400 -8.665 -1.377 1.00 35.35 H new ATOM 0 HE3 TRP A 45 31.033 -7.001 1.288 1.00 2.42 H new ATOM 0 HZ2 TRP A 45 33.098 -10.179 -1.953 1.00 11.43 H new ATOM 0 HZ3 TRP A 45 29.692 -8.767 0.218 1.00 50.05 H new ATOM 0 HH2 TRP A 45 30.714 -10.336 -1.380 1.00 51.22 H new ATOM 658 N ASP A 46 35.991 -3.338 1.408 1.00 45.44 N ATOM 659 CA ASP A 46 37.355 -2.951 1.064 1.00 71.14 C ATOM 660 C ASP A 46 38.317 -3.285 2.199 1.00 23.11 C ATOM 661 O ASP A 46 37.962 -3.195 3.374 1.00 13.02 O ATOM 662 CB ASP A 46 37.419 -1.456 0.747 1.00 64.22 C ATOM 663 CG ASP A 46 37.822 -1.186 -0.690 1.00 13.44 C ATOM 664 OD1 ASP A 46 38.637 -1.959 -1.233 1.00 25.44 O ATOM 665 OD2 ASP A 46 37.321 -0.200 -1.271 1.00 4.44 O ATOM 0 H ASP A 46 35.748 -3.200 2.389 1.00 45.44 H new ATOM 0 HA ASP A 46 37.655 -3.515 0.181 1.00 71.14 H new ATOM 0 HB2 ASP A 46 36.446 -1.005 0.939 1.00 64.22 H new ATOM 0 HB3 ASP A 46 38.131 -0.975 1.418 1.00 64.22 H new ATOM 670 N SER A 47 39.537 -3.672 1.840 1.00 41.12 N ATOM 671 CA SER A 47 40.549 -4.024 2.828 1.00 25.34 C ATOM 672 C SER A 47 41.793 -3.156 2.666 1.00 42.24 C ATOM 673 O SER A 47 42.115 -2.713 1.563 1.00 73.11 O ATOM 674 CB SER A 47 40.925 -5.502 2.700 1.00 1.14 C ATOM 675 OG SER A 47 42.252 -5.652 2.226 1.00 52.45 O ATOM 0 H SER A 47 39.848 -3.750 0.872 1.00 41.12 H new ATOM 0 HA SER A 47 40.130 -3.847 3.819 1.00 25.34 H new ATOM 0 HB2 SER A 47 40.824 -5.991 3.669 1.00 1.14 H new ATOM 0 HB3 SER A 47 40.234 -5.998 2.019 1.00 1.14 H new ATOM 0 HG SER A 47 42.324 -6.485 1.714 1.00 52.45 H new ATOM 681 N SER A 48 42.489 -2.916 3.772 1.00 20.35 N ATOM 682 CA SER A 48 43.696 -2.098 3.755 1.00 54.32 C ATOM 683 C SER A 48 44.927 -2.952 3.469 1.00 2.41 C ATOM 684 O SER A 48 44.814 -4.120 3.101 1.00 40.10 O ATOM 685 CB SER A 48 43.864 -1.371 5.090 1.00 12.43 C ATOM 686 OG SER A 48 44.443 -0.091 4.905 1.00 51.43 O ATOM 0 H SER A 48 42.238 -3.277 4.692 1.00 20.35 H new ATOM 0 HA SER A 48 43.594 -1.361 2.959 1.00 54.32 H new ATOM 0 HB2 SER A 48 42.894 -1.268 5.576 1.00 12.43 H new ATOM 0 HB3 SER A 48 44.492 -1.965 5.754 1.00 12.43 H new ATOM 0 HG SER A 48 44.538 0.354 5.773 1.00 51.43 H new ATOM 692 N ASN A 49 46.104 -2.358 3.642 1.00 71.23 N ATOM 693 CA ASN A 49 47.358 -3.063 3.402 1.00 31.22 C ATOM 694 C ASN A 49 47.432 -3.567 1.964 1.00 25.31 C ATOM 695 O ASN A 49 46.605 -3.210 1.125 1.00 73.20 O ATOM 696 CB ASN A 49 47.501 -4.236 4.374 1.00 61.53 C ATOM 697 CG ASN A 49 48.778 -4.160 5.188 1.00 22.30 C ATOM 698 OD1 ASN A 49 49.733 -4.896 4.936 1.00 12.23 O ATOM 699 ND2 ASN A 49 48.801 -3.267 6.171 1.00 73.43 N ATOM 0 H ASN A 49 46.215 -1.391 3.947 1.00 71.23 H new ATOM 0 HA ASN A 49 48.177 -2.363 3.565 1.00 31.22 H new ATOM 0 HB2 ASN A 49 46.644 -4.252 5.048 1.00 61.53 H new ATOM 0 HB3 ASN A 49 47.485 -5.172 3.815 1.00 61.53 H new ATOM 0 HD21 ASN A 49 49.633 -3.170 6.753 1.00 73.43 H new ATOM 0 HD22 ASN A 49 47.987 -2.678 6.344 1.00 73.43 H new ATOM 706 N THR A 50 48.430 -4.401 1.686 1.00 43.43 N ATOM 707 CA THR A 50 48.614 -4.954 0.350 1.00 40.31 C ATOM 708 C THR A 50 49.391 -6.264 0.400 1.00 74.53 C ATOM 709 O THR A 50 50.234 -6.530 -0.457 1.00 73.42 O ATOM 710 CB THR A 50 49.355 -3.966 -0.570 1.00 43.52 C ATOM 711 OG1 THR A 50 49.450 -4.505 -1.893 1.00 62.03 O ATOM 712 CG2 THR A 50 50.749 -3.670 -0.036 1.00 71.34 C ATOM 0 H THR A 50 49.123 -4.708 2.369 1.00 43.43 H new ATOM 0 HA THR A 50 47.619 -5.140 -0.055 1.00 40.31 H new ATOM 0 HB THR A 50 48.789 -3.035 -0.597 1.00 43.52 H new ATOM 0 HG1 THR A 50 49.769 -5.431 -1.847 1.00 62.03 H new ATOM 0 HG21 THR A 50 51.253 -2.970 -0.702 1.00 71.34 H new ATOM 0 HG22 THR A 50 50.672 -3.232 0.959 1.00 71.34 H new ATOM 0 HG23 THR A 50 51.322 -4.596 0.018 1.00 71.34 H new ATOM 720 N ASP A 51 49.101 -7.080 1.407 1.00 31.41 N ATOM 721 CA ASP A 51 49.771 -8.365 1.567 1.00 24.54 C ATOM 722 C ASP A 51 48.788 -9.518 1.387 1.00 11.32 C ATOM 723 O ASP A 51 48.762 -10.166 0.341 1.00 70.41 O ATOM 724 CB ASP A 51 50.431 -8.452 2.944 1.00 22.44 C ATOM 725 CG ASP A 51 51.449 -7.351 3.169 1.00 33.34 C ATOM 726 OD1 ASP A 51 51.064 -6.165 3.099 1.00 63.42 O ATOM 727 OD2 ASP A 51 52.630 -7.675 3.415 1.00 33.42 O ATOM 0 H ASP A 51 48.406 -6.874 2.125 1.00 31.41 H new ATOM 0 HA ASP A 51 50.540 -8.444 0.798 1.00 24.54 H new ATOM 0 HB2 ASP A 51 49.663 -8.396 3.716 1.00 22.44 H new ATOM 0 HB3 ASP A 51 50.919 -9.421 3.049 1.00 22.44 H new ATOM 732 N ILE A 52 47.982 -9.767 2.414 1.00 51.23 N ATOM 733 CA ILE A 52 46.997 -10.841 2.368 1.00 2.51 C ATOM 734 C ILE A 52 45.760 -10.487 3.186 1.00 12.21 C ATOM 735 O ILE A 52 45.520 -11.061 4.249 1.00 12.11 O ATOM 736 CB ILE A 52 47.584 -12.165 2.892 1.00 53.22 C ATOM 737 CG1 ILE A 52 48.451 -11.911 4.127 1.00 54.22 C ATOM 738 CG2 ILE A 52 48.393 -12.853 1.803 1.00 73.33 C ATOM 739 CD1 ILE A 52 49.903 -11.642 3.801 1.00 51.33 C ATOM 0 H ILE A 52 47.992 -9.240 3.287 1.00 51.23 H new ATOM 0 HA ILE A 52 46.715 -10.967 1.323 1.00 2.51 H new ATOM 0 HB ILE A 52 46.762 -12.822 3.177 1.00 53.22 H new ATOM 0 HG12 ILE A 52 48.047 -11.061 4.676 1.00 54.22 H new ATOM 0 HG13 ILE A 52 48.390 -12.775 4.788 1.00 54.22 H new ATOM 0 HG21 ILE A 52 48.801 -13.787 2.188 1.00 73.33 H new ATOM 0 HG22 ILE A 52 47.749 -13.063 0.949 1.00 73.33 H new ATOM 0 HG23 ILE A 52 49.209 -12.202 1.490 1.00 73.33 H new ATOM 0 HD11 ILE A 52 50.457 -11.471 4.724 1.00 51.33 H new ATOM 0 HD12 ILE A 52 50.324 -12.501 3.279 1.00 51.33 H new ATOM 0 HD13 ILE A 52 49.976 -10.760 3.165 1.00 51.33 H new ATOM 751 N LEU A 53 44.976 -9.540 2.683 1.00 0.41 N ATOM 752 CA LEU A 53 43.761 -9.110 3.366 1.00 13.30 C ATOM 753 C LEU A 53 42.531 -9.358 2.498 1.00 44.54 C ATOM 754 O LEU A 53 42.473 -8.922 1.348 1.00 65.23 O ATOM 755 CB LEU A 53 43.853 -7.626 3.728 1.00 71.31 C ATOM 756 CG LEU A 53 44.851 -7.265 4.828 1.00 44.40 C ATOM 757 CD1 LEU A 53 44.642 -8.145 6.050 1.00 73.51 C ATOM 758 CD2 LEU A 53 46.279 -7.391 4.316 1.00 73.35 C ATOM 0 H LEU A 53 45.160 -9.055 1.805 1.00 0.41 H new ATOM 0 HA LEU A 53 43.662 -9.695 4.280 1.00 13.30 H new ATOM 0 HB2 LEU A 53 44.116 -7.069 2.829 1.00 71.31 H new ATOM 0 HB3 LEU A 53 42.864 -7.286 4.036 1.00 71.31 H new ATOM 0 HG LEU A 53 44.680 -6.229 5.119 1.00 44.40 H new ATOM 0 HD11 LEU A 53 45.362 -7.873 6.822 1.00 73.51 H new ATOM 0 HD12 LEU A 53 43.631 -8.004 6.431 1.00 73.51 H new ATOM 0 HD13 LEU A 53 44.784 -9.190 5.774 1.00 73.51 H new ATOM 0 HD21 LEU A 53 46.976 -7.130 5.113 1.00 73.35 H new ATOM 0 HD22 LEU A 53 46.462 -8.417 3.996 1.00 73.35 H new ATOM 0 HD23 LEU A 53 46.424 -6.716 3.472 1.00 73.35 H new ATOM 770 N SER A 54 41.550 -10.058 3.057 1.00 53.14 N ATOM 771 CA SER A 54 40.322 -10.365 2.333 1.00 54.02 C ATOM 772 C SER A 54 39.102 -10.192 3.234 1.00 65.44 C ATOM 773 O SER A 54 39.125 -10.570 4.406 1.00 52.35 O ATOM 774 CB SER A 54 40.369 -11.794 1.788 1.00 4.13 C ATOM 775 OG SER A 54 39.070 -12.263 1.473 1.00 31.21 O ATOM 0 H SER A 54 41.581 -10.423 4.009 1.00 53.14 H new ATOM 0 HA SER A 54 40.238 -9.668 1.499 1.00 54.02 H new ATOM 0 HB2 SER A 54 40.996 -11.826 0.897 1.00 4.13 H new ATOM 0 HB3 SER A 54 40.828 -12.453 2.525 1.00 4.13 H new ATOM 0 HG SER A 54 39.128 -13.177 1.125 1.00 31.21 H new ATOM 781 N ILE A 55 38.040 -9.620 2.678 1.00 43.35 N ATOM 782 CA ILE A 55 36.811 -9.398 3.429 1.00 4.33 C ATOM 783 C ILE A 55 35.598 -9.912 2.663 1.00 55.33 C ATOM 784 O ILE A 55 35.399 -9.574 1.496 1.00 72.12 O ATOM 785 CB ILE A 55 36.609 -7.905 3.748 1.00 15.34 C ATOM 786 CG1 ILE A 55 37.783 -7.373 4.572 1.00 11.34 C ATOM 787 CG2 ILE A 55 35.296 -7.695 4.489 1.00 25.04 C ATOM 788 CD1 ILE A 55 38.163 -5.948 4.233 1.00 21.50 C ATOM 0 H ILE A 55 38.006 -9.302 1.710 1.00 43.35 H new ATOM 0 HA ILE A 55 36.908 -9.951 4.363 1.00 4.33 H new ATOM 0 HB ILE A 55 36.568 -7.351 2.810 1.00 15.34 H new ATOM 0 HG12 ILE A 55 37.529 -7.431 5.630 1.00 11.34 H new ATOM 0 HG13 ILE A 55 38.648 -8.018 4.416 1.00 11.34 H new ATOM 0 HG21 ILE A 55 35.167 -6.635 4.708 1.00 25.04 H new ATOM 0 HG22 ILE A 55 34.469 -8.041 3.869 1.00 25.04 H new ATOM 0 HG23 ILE A 55 35.310 -8.259 5.422 1.00 25.04 H new ATOM 0 HD11 ILE A 55 39.002 -5.637 4.856 1.00 21.50 H new ATOM 0 HD12 ILE A 55 38.448 -5.888 3.183 1.00 21.50 H new ATOM 0 HD13 ILE A 55 37.313 -5.291 4.416 1.00 21.50 H new ATOM 800 N SER A 56 34.787 -10.729 3.328 1.00 62.14 N ATOM 801 CA SER A 56 33.593 -11.292 2.708 1.00 11.24 C ATOM 802 C SER A 56 32.350 -10.964 3.530 1.00 55.04 C ATOM 803 O SER A 56 32.291 -11.245 4.726 1.00 74.13 O ATOM 804 CB SER A 56 33.735 -12.808 2.561 1.00 43.23 C ATOM 805 OG SER A 56 33.755 -13.188 1.196 1.00 40.44 O ATOM 0 H SER A 56 34.935 -11.016 4.296 1.00 62.14 H new ATOM 0 HA SER A 56 33.483 -10.847 1.719 1.00 11.24 H new ATOM 0 HB2 SER A 56 34.652 -13.139 3.048 1.00 43.23 H new ATOM 0 HB3 SER A 56 32.908 -13.305 3.068 1.00 43.23 H new ATOM 0 HG SER A 56 33.848 -14.161 1.129 1.00 40.44 H new ATOM 811 N ASN A 57 31.357 -10.367 2.877 1.00 65.02 N ATOM 812 CA ASN A 57 30.115 -10.000 3.546 1.00 54.44 C ATOM 813 C ASN A 57 28.910 -10.298 2.657 1.00 4.35 C ATOM 814 O ASN A 57 27.853 -9.685 2.802 1.00 42.45 O ATOM 815 CB ASN A 57 30.132 -8.516 3.920 1.00 73.22 C ATOM 816 CG ASN A 57 31.525 -8.021 4.257 1.00 32.14 C ATOM 817 OD1 ASN A 57 32.278 -7.604 3.377 1.00 14.21 O ATOM 818 ND2 ASN A 57 31.874 -8.066 5.538 1.00 43.33 N ATOM 0 H ASN A 57 31.389 -10.128 1.886 1.00 65.02 H new ATOM 0 HA ASN A 57 30.031 -10.596 4.455 1.00 54.44 H new ATOM 0 HB2 ASN A 57 29.732 -7.931 3.092 1.00 73.22 H new ATOM 0 HB3 ASN A 57 29.474 -8.352 4.774 1.00 73.22 H new ATOM 0 HD21 ASN A 57 32.799 -7.747 5.826 1.00 43.33 H new ATOM 0 HD22 ASN A 57 31.217 -8.420 6.233 1.00 43.33 H new ATOM 825 N ALA A 58 29.079 -11.244 1.739 1.00 12.25 N ATOM 826 CA ALA A 58 28.006 -11.625 0.830 1.00 74.41 C ATOM 827 C ALA A 58 27.619 -13.088 1.020 1.00 31.11 C ATOM 828 O ALA A 58 27.053 -13.712 0.123 1.00 72.14 O ATOM 829 CB ALA A 58 28.420 -11.370 -0.612 1.00 31.13 C ATOM 0 H ALA A 58 29.949 -11.760 1.606 1.00 12.25 H new ATOM 0 HA ALA A 58 27.134 -11.013 1.060 1.00 74.41 H new ATOM 0 HB1 ALA A 58 27.609 -11.659 -1.280 1.00 31.13 H new ATOM 0 HB2 ALA A 58 28.640 -10.311 -0.746 1.00 31.13 H new ATOM 0 HB3 ALA A 58 29.308 -11.957 -0.845 1.00 31.13 H new ATOM 835 N SER A 59 27.929 -13.630 2.194 1.00 54.52 N ATOM 836 CA SER A 59 27.617 -15.021 2.500 1.00 43.12 C ATOM 837 C SER A 59 26.150 -15.176 2.889 1.00 62.42 C ATOM 838 O SER A 59 25.485 -16.127 2.478 1.00 61.50 O ATOM 839 CB SER A 59 28.513 -15.529 3.631 1.00 62.20 C ATOM 840 OG SER A 59 27.791 -16.368 4.516 1.00 60.12 O ATOM 0 H SER A 59 28.396 -13.127 2.948 1.00 54.52 H new ATOM 0 HA SER A 59 27.802 -15.615 1.605 1.00 43.12 H new ATOM 0 HB2 SER A 59 29.357 -16.077 3.212 1.00 62.20 H new ATOM 0 HB3 SER A 59 28.924 -14.683 4.181 1.00 62.20 H new ATOM 0 HG SER A 59 28.418 -16.925 5.023 1.00 60.12 H new ATOM 846 N ASP A 60 25.653 -14.235 3.683 1.00 33.35 N ATOM 847 CA ASP A 60 24.264 -14.266 4.128 1.00 2.32 C ATOM 848 C ASP A 60 23.953 -13.069 5.022 1.00 44.25 C ATOM 849 O ASP A 60 22.845 -12.534 4.996 1.00 1.20 O ATOM 850 CB ASP A 60 23.975 -15.567 4.879 1.00 40.34 C ATOM 851 CG ASP A 60 22.672 -15.512 5.651 1.00 32.03 C ATOM 852 OD1 ASP A 60 21.693 -14.942 5.125 1.00 50.11 O ATOM 853 OD2 ASP A 60 22.630 -16.040 6.782 1.00 63.10 O ATOM 0 H ASP A 60 26.190 -13.441 4.032 1.00 33.35 H new ATOM 0 HA ASP A 60 23.625 -14.215 3.246 1.00 2.32 H new ATOM 0 HB2 ASP A 60 23.938 -16.393 4.169 1.00 40.34 H new ATOM 0 HB3 ASP A 60 24.794 -15.775 5.568 1.00 40.34 H new ATOM 858 N SER A 61 24.939 -12.655 5.811 1.00 11.44 N ATOM 859 CA SER A 61 24.769 -11.524 6.717 1.00 62.14 C ATOM 860 C SER A 61 26.063 -11.232 7.470 1.00 25.40 C ATOM 861 O SER A 61 26.681 -10.183 7.284 1.00 33.11 O ATOM 862 CB SER A 61 23.640 -11.804 7.710 1.00 53.12 C ATOM 863 OG SER A 61 22.448 -11.139 7.327 1.00 20.23 O ATOM 0 H SER A 61 25.863 -13.085 5.842 1.00 11.44 H new ATOM 0 HA SER A 61 24.510 -10.649 6.121 1.00 62.14 H new ATOM 0 HB2 SER A 61 23.459 -12.877 7.767 1.00 53.12 H new ATOM 0 HB3 SER A 61 23.938 -11.478 8.706 1.00 53.12 H new ATOM 0 HG SER A 61 22.285 -10.386 7.932 1.00 20.23 H new ATOM 869 N HIS A 62 26.469 -12.169 8.322 1.00 51.11 N ATOM 870 CA HIS A 62 27.690 -12.014 9.104 1.00 2.21 C ATOM 871 C HIS A 62 28.872 -11.667 8.203 1.00 30.43 C ATOM 872 O HIS A 62 29.050 -12.261 7.141 1.00 62.13 O ATOM 873 CB HIS A 62 27.987 -13.294 9.885 1.00 61.53 C ATOM 874 CG HIS A 62 27.892 -14.538 9.055 1.00 52.54 C ATOM 875 ND1 HIS A 62 28.895 -14.954 8.205 1.00 21.02 N ATOM 876 CD2 HIS A 62 26.905 -15.458 8.948 1.00 12.44 C ATOM 877 CE1 HIS A 62 28.529 -16.076 7.611 1.00 15.41 C ATOM 878 NE2 HIS A 62 27.325 -16.403 8.045 1.00 12.11 N ATOM 0 H HIS A 62 25.970 -13.043 8.488 1.00 51.11 H new ATOM 0 HA HIS A 62 27.540 -11.195 9.808 1.00 2.21 H new ATOM 0 HB2 HIS A 62 28.988 -13.226 10.310 1.00 61.53 H new ATOM 0 HB3 HIS A 62 27.291 -13.370 10.720 1.00 61.53 H new ATOM 0 HD2 HIS A 62 25.962 -15.450 9.475 1.00 12.44 H new ATOM 0 HE1 HIS A 62 29.114 -16.631 6.893 1.00 15.41 H new ATOM 0 HE2 HIS A 62 26.794 -17.224 7.756 1.00 12.11 H new ATOM 886 N GLY A 63 29.677 -10.701 8.636 1.00 73.41 N ATOM 887 CA GLY A 63 30.830 -10.292 7.856 1.00 24.33 C ATOM 888 C GLY A 63 32.101 -10.999 8.286 1.00 74.23 C ATOM 889 O GLY A 63 32.643 -10.721 9.356 1.00 22.41 O ATOM 0 H GLY A 63 29.551 -10.195 9.513 1.00 73.41 H new ATOM 0 HA2 GLY A 63 30.643 -10.497 6.802 1.00 24.33 H new ATOM 0 HA3 GLY A 63 30.967 -9.215 7.952 1.00 24.33 H new ATOM 893 N LEU A 64 32.576 -11.917 7.451 1.00 1.21 N ATOM 894 CA LEU A 64 33.790 -12.668 7.751 1.00 44.34 C ATOM 895 C LEU A 64 35.031 -11.887 7.329 1.00 22.11 C ATOM 896 O LEU A 64 35.190 -11.539 6.159 1.00 21.25 O ATOM 897 CB LEU A 64 33.762 -14.024 7.044 1.00 44.14 C ATOM 898 CG LEU A 64 33.471 -13.993 5.543 1.00 54.51 C ATOM 899 CD1 LEU A 64 34.341 -15.001 4.809 1.00 53.12 C ATOM 900 CD2 LEU A 64 31.997 -14.266 5.280 1.00 11.13 C ATOM 0 H LEU A 64 32.139 -12.159 6.562 1.00 1.21 H new ATOM 0 HA LEU A 64 33.832 -12.828 8.828 1.00 44.34 H new ATOM 0 HB2 LEU A 64 34.725 -14.511 7.197 1.00 44.14 H new ATOM 0 HB3 LEU A 64 33.009 -14.647 7.527 1.00 44.14 H new ATOM 0 HG LEU A 64 33.709 -12.998 5.167 1.00 54.51 H new ATOM 0 HD11 LEU A 64 34.120 -14.964 3.742 1.00 53.12 H new ATOM 0 HD12 LEU A 64 35.392 -14.760 4.970 1.00 53.12 H new ATOM 0 HD13 LEU A 64 34.136 -16.002 5.188 1.00 53.12 H new ATOM 0 HD21 LEU A 64 31.808 -14.240 4.207 1.00 11.13 H new ATOM 0 HD22 LEU A 64 31.734 -15.249 5.671 1.00 11.13 H new ATOM 0 HD23 LEU A 64 31.392 -13.505 5.773 1.00 11.13 H new ATOM 912 N ALA A 65 35.909 -11.617 8.290 1.00 71.31 N ATOM 913 CA ALA A 65 37.138 -10.882 8.018 1.00 54.04 C ATOM 914 C ALA A 65 38.358 -11.788 8.139 1.00 61.10 C ATOM 915 O ALA A 65 38.557 -12.444 9.162 1.00 51.14 O ATOM 916 CB ALA A 65 37.263 -9.695 8.962 1.00 72.43 C ATOM 0 H ALA A 65 35.792 -11.896 9.264 1.00 71.31 H new ATOM 0 HA ALA A 65 37.093 -10.514 6.993 1.00 54.04 H new ATOM 0 HB1 ALA A 65 38.185 -9.155 8.748 1.00 72.43 H new ATOM 0 HB2 ALA A 65 36.412 -9.028 8.823 1.00 72.43 H new ATOM 0 HB3 ALA A 65 37.282 -10.050 9.992 1.00 72.43 H new ATOM 922 N SER A 66 39.172 -11.820 7.089 1.00 63.42 N ATOM 923 CA SER A 66 40.371 -12.650 7.076 1.00 23.25 C ATOM 924 C SER A 66 41.619 -11.798 6.865 1.00 62.44 C ATOM 925 O SER A 66 41.755 -11.115 5.849 1.00 14.01 O ATOM 926 CB SER A 66 40.272 -13.711 5.979 1.00 73.13 C ATOM 927 OG SER A 66 40.597 -13.166 4.712 1.00 63.03 O ATOM 0 H SER A 66 39.023 -11.281 6.236 1.00 63.42 H new ATOM 0 HA SER A 66 40.450 -13.146 8.044 1.00 23.25 H new ATOM 0 HB2 SER A 66 40.945 -14.538 6.206 1.00 73.13 H new ATOM 0 HB3 SER A 66 39.262 -14.120 5.954 1.00 73.13 H new ATOM 0 HG SER A 66 40.778 -12.207 4.805 1.00 63.03 H new ATOM 933 N THR A 67 42.531 -11.844 7.832 1.00 74.14 N ATOM 934 CA THR A 67 43.767 -11.077 7.753 1.00 1.23 C ATOM 935 C THR A 67 44.971 -11.935 8.123 1.00 22.33 C ATOM 936 O THR A 67 44.940 -12.676 9.107 1.00 11.21 O ATOM 937 CB THR A 67 43.724 -9.846 8.679 1.00 63.31 C ATOM 938 OG1 THR A 67 43.865 -10.255 10.044 1.00 23.10 O ATOM 939 CG2 THR A 67 42.420 -9.083 8.505 1.00 72.42 C ATOM 0 H THR A 67 42.436 -12.405 8.679 1.00 74.14 H new ATOM 0 HA THR A 67 43.866 -10.743 6.720 1.00 1.23 H new ATOM 0 HB THR A 67 44.550 -9.188 8.410 1.00 63.31 H new ATOM 0 HG1 THR A 67 43.528 -9.548 10.634 1.00 23.10 H new ATOM 0 HG21 THR A 67 42.413 -8.219 9.169 1.00 72.42 H new ATOM 0 HG22 THR A 67 42.330 -8.748 7.472 1.00 72.42 H new ATOM 0 HG23 THR A 67 41.581 -9.735 8.750 1.00 72.42 H new ATOM 947 N LEU A 68 46.032 -11.831 7.330 1.00 30.34 N ATOM 948 CA LEU A 68 47.248 -12.598 7.575 1.00 25.35 C ATOM 949 C LEU A 68 48.487 -11.783 7.220 1.00 44.31 C ATOM 950 O LEU A 68 49.503 -12.332 6.794 1.00 14.50 O ATOM 951 CB LEU A 68 47.228 -13.896 6.766 1.00 45.13 C ATOM 952 CG LEU A 68 46.308 -14.999 7.289 1.00 70.34 C ATOM 953 CD1 LEU A 68 45.456 -15.562 6.162 1.00 70.24 C ATOM 954 CD2 LEU A 68 47.121 -16.104 7.948 1.00 13.12 C ATOM 0 H LEU A 68 46.075 -11.223 6.512 1.00 30.34 H new ATOM 0 HA LEU A 68 47.287 -12.840 8.637 1.00 25.35 H new ATOM 0 HB2 LEU A 68 46.933 -13.659 5.744 1.00 45.13 H new ATOM 0 HB3 LEU A 68 48.244 -14.289 6.722 1.00 45.13 H new ATOM 0 HG LEU A 68 45.644 -14.567 8.038 1.00 70.34 H new ATOM 0 HD11 LEU A 68 44.807 -16.346 6.553 1.00 70.24 H new ATOM 0 HD12 LEU A 68 44.846 -14.766 5.734 1.00 70.24 H new ATOM 0 HD13 LEU A 68 46.103 -15.978 5.390 1.00 70.24 H new ATOM 0 HD21 LEU A 68 46.450 -16.881 8.314 1.00 13.12 H new ATOM 0 HD22 LEU A 68 47.809 -16.533 7.220 1.00 13.12 H new ATOM 0 HD23 LEU A 68 47.687 -15.691 8.783 1.00 13.12 H new ATOM 966 N ASN A 69 48.396 -10.469 7.400 1.00 4.01 N ATOM 967 CA ASN A 69 49.511 -9.577 7.100 1.00 72.42 C ATOM 968 C ASN A 69 50.195 -9.111 8.381 1.00 21.33 C ATOM 969 O ASN A 69 49.733 -9.403 9.484 1.00 63.41 O ATOM 970 CB ASN A 69 49.022 -8.368 6.300 1.00 2.23 C ATOM 971 CG ASN A 69 48.453 -7.279 7.189 1.00 35.11 C ATOM 972 OD1 ASN A 69 47.374 -7.432 7.763 1.00 51.34 O ATOM 973 ND2 ASN A 69 49.177 -6.172 7.307 1.00 72.33 N ATOM 0 H ASN A 69 47.562 -9.998 7.752 1.00 4.01 H new ATOM 0 HA ASN A 69 50.236 -10.130 6.503 1.00 72.42 H new ATOM 0 HB2 ASN A 69 49.849 -7.963 5.717 1.00 2.23 H new ATOM 0 HB3 ASN A 69 48.260 -8.689 5.590 1.00 2.23 H new ATOM 0 HD21 ASN A 69 48.845 -5.405 7.892 1.00 72.33 H new ATOM 0 HD22 ASN A 69 50.065 -6.089 6.813 1.00 72.33 H new ATOM 980 N GLN A 70 51.297 -8.385 8.226 1.00 4.05 N ATOM 981 CA GLN A 70 52.045 -7.879 9.371 1.00 10.44 C ATOM 982 C GLN A 70 51.971 -6.357 9.440 1.00 13.12 C ATOM 983 O GLN A 70 52.752 -5.657 8.796 1.00 35.52 O ATOM 984 CB GLN A 70 53.505 -8.327 9.292 1.00 4.32 C ATOM 985 CG GLN A 70 53.752 -9.704 9.887 1.00 43.22 C ATOM 986 CD GLN A 70 55.017 -10.350 9.357 1.00 4.12 C ATOM 987 OE1 GLN A 70 55.992 -10.525 10.089 1.00 31.42 O ATOM 988 NE2 GLN A 70 55.009 -10.708 8.079 1.00 71.14 N ATOM 0 H GLN A 70 51.692 -8.134 7.320 1.00 4.05 H new ATOM 0 HA GLN A 70 51.595 -8.288 10.276 1.00 10.44 H new ATOM 0 HB2 GLN A 70 53.820 -8.330 8.248 1.00 4.32 H new ATOM 0 HB3 GLN A 70 54.128 -7.599 9.811 1.00 4.32 H new ATOM 0 HG2 GLN A 70 53.818 -9.620 10.972 1.00 43.22 H new ATOM 0 HG3 GLN A 70 52.900 -10.348 9.668 1.00 43.22 H new ATOM 0 HE21 GLN A 70 54.179 -10.544 7.509 1.00 71.14 H new ATOM 0 HE22 GLN A 70 55.832 -11.147 7.667 1.00 71.14 H new ATOM 997 N GLY A 71 51.025 -5.850 10.226 1.00 62.11 N ATOM 998 CA GLY A 71 50.866 -4.414 10.364 1.00 61.32 C ATOM 999 C GLY A 71 49.484 -4.028 10.852 1.00 30.31 C ATOM 1000 O GLY A 71 49.096 -4.369 11.969 1.00 55.14 O ATOM 0 H GLY A 71 50.366 -6.408 10.769 1.00 62.11 H new ATOM 0 HA2 GLY A 71 51.613 -4.034 11.061 1.00 61.32 H new ATOM 0 HA3 GLY A 71 51.055 -3.937 9.403 1.00 61.32 H new ATOM 1004 N ASN A 72 48.740 -3.314 10.014 1.00 41.30 N ATOM 1005 CA ASN A 72 47.394 -2.879 10.368 1.00 53.13 C ATOM 1006 C ASN A 72 46.407 -3.199 9.249 1.00 41.21 C ATOM 1007 O ASN A 72 46.779 -3.259 8.077 1.00 61.31 O ATOM 1008 CB ASN A 72 47.381 -1.377 10.660 1.00 33.14 C ATOM 1009 CG ASN A 72 48.113 -0.575 9.601 1.00 35.43 C ATOM 1010 OD1 ASN A 72 47.816 -0.682 8.411 1.00 24.12 O ATOM 1011 ND2 ASN A 72 49.074 0.233 10.031 1.00 24.01 N ATOM 0 H ASN A 72 49.046 -3.024 9.085 1.00 41.30 H new ATOM 0 HA ASN A 72 47.088 -3.419 11.264 1.00 53.13 H new ATOM 0 HB2 ASN A 72 46.349 -1.031 10.725 1.00 33.14 H new ATOM 0 HB3 ASN A 72 47.840 -1.195 11.632 1.00 33.14 H new ATOM 0 HD21 ASN A 72 49.601 0.798 9.365 1.00 24.01 H new ATOM 0 HD22 ASN A 72 49.285 0.289 11.027 1.00 24.01 H new ATOM 1018 N VAL A 73 45.147 -3.402 9.619 1.00 73.51 N ATOM 1019 CA VAL A 73 44.106 -3.714 8.647 1.00 35.51 C ATOM 1020 C VAL A 73 42.869 -2.850 8.869 1.00 25.25 C ATOM 1021 O VAL A 73 42.473 -2.595 10.007 1.00 75.33 O ATOM 1022 CB VAL A 73 43.700 -5.199 8.716 1.00 11.32 C ATOM 1023 CG1 VAL A 73 42.786 -5.557 7.554 1.00 31.34 C ATOM 1024 CG2 VAL A 73 44.934 -6.088 8.729 1.00 41.14 C ATOM 0 H VAL A 73 44.822 -3.356 10.585 1.00 73.51 H new ATOM 0 HA VAL A 73 44.521 -3.503 7.661 1.00 35.51 H new ATOM 0 HB VAL A 73 43.151 -5.366 9.643 1.00 11.32 H new ATOM 0 HG11 VAL A 73 42.510 -6.609 7.619 1.00 31.34 H new ATOM 0 HG12 VAL A 73 41.887 -4.942 7.596 1.00 31.34 H new ATOM 0 HG13 VAL A 73 43.306 -5.376 6.613 1.00 31.34 H new ATOM 0 HG21 VAL A 73 44.629 -7.133 8.778 1.00 41.14 H new ATOM 0 HG22 VAL A 73 45.512 -5.921 7.820 1.00 41.14 H new ATOM 0 HG23 VAL A 73 45.546 -5.848 9.598 1.00 41.14 H new ATOM 1034 N LYS A 74 42.263 -2.402 7.775 1.00 5.44 N ATOM 1035 CA LYS A 74 41.070 -1.567 7.849 1.00 44.32 C ATOM 1036 C LYS A 74 39.961 -2.123 6.962 1.00 64.33 C ATOM 1037 O LYS A 74 40.027 -2.029 5.736 1.00 71.10 O ATOM 1038 CB LYS A 74 41.400 -0.132 7.431 1.00 3.11 C ATOM 1039 CG LYS A 74 40.359 0.884 7.869 1.00 63.30 C ATOM 1040 CD LYS A 74 41.002 2.195 8.290 1.00 32.44 C ATOM 1041 CE LYS A 74 41.331 2.202 9.775 1.00 32.04 C ATOM 1042 NZ LYS A 74 41.628 3.574 10.271 1.00 43.52 N ATOM 0 H LYS A 74 42.579 -2.603 6.826 1.00 5.44 H new ATOM 0 HA LYS A 74 40.720 -1.567 8.881 1.00 44.32 H new ATOM 0 HB2 LYS A 74 42.367 0.147 7.851 1.00 3.11 H new ATOM 0 HB3 LYS A 74 41.500 -0.092 6.346 1.00 3.11 H new ATOM 0 HG2 LYS A 74 39.661 1.066 7.052 1.00 63.30 H new ATOM 0 HG3 LYS A 74 39.780 0.479 8.699 1.00 63.30 H new ATOM 0 HD2 LYS A 74 41.913 2.356 7.714 1.00 32.44 H new ATOM 0 HD3 LYS A 74 40.329 3.022 8.061 1.00 32.44 H new ATOM 0 HE2 LYS A 74 40.493 1.787 10.335 1.00 32.04 H new ATOM 0 HE3 LYS A 74 42.189 1.555 9.960 1.00 32.04 H new ATOM 0 HZ1 LYS A 74 41.847 3.536 11.287 1.00 43.52 H new ATOM 0 HZ2 LYS A 74 42.444 3.961 9.755 1.00 43.52 H new ATOM 0 HZ3 LYS A 74 40.801 4.185 10.118 1.00 43.52 H new ATOM 1056 N VAL A 75 38.942 -2.702 7.589 1.00 64.40 N ATOM 1057 CA VAL A 75 37.818 -3.272 6.856 1.00 13.24 C ATOM 1058 C VAL A 75 36.653 -2.290 6.787 1.00 23.14 C ATOM 1059 O VAL A 75 36.095 -1.898 7.813 1.00 51.04 O ATOM 1060 CB VAL A 75 37.332 -4.582 7.504 1.00 61.45 C ATOM 1061 CG1 VAL A 75 36.126 -5.132 6.757 1.00 13.54 C ATOM 1062 CG2 VAL A 75 38.457 -5.606 7.542 1.00 51.14 C ATOM 0 H VAL A 75 38.872 -2.789 8.603 1.00 64.40 H new ATOM 0 HA VAL A 75 38.172 -3.484 5.847 1.00 13.24 H new ATOM 0 HB VAL A 75 37.029 -4.369 8.529 1.00 61.45 H new ATOM 0 HG11 VAL A 75 35.797 -6.058 7.229 1.00 13.54 H new ATOM 0 HG12 VAL A 75 35.317 -4.402 6.785 1.00 13.54 H new ATOM 0 HG13 VAL A 75 36.399 -5.331 5.721 1.00 13.54 H new ATOM 0 HG21 VAL A 75 38.097 -6.526 8.003 1.00 51.14 H new ATOM 0 HG22 VAL A 75 38.792 -5.816 6.526 1.00 51.14 H new ATOM 0 HG23 VAL A 75 39.289 -5.211 8.124 1.00 51.14 H new ATOM 1072 N THR A 76 36.290 -1.896 5.571 1.00 42.42 N ATOM 1073 CA THR A 76 35.192 -0.959 5.367 1.00 44.01 C ATOM 1074 C THR A 76 34.163 -1.522 4.394 1.00 50.23 C ATOM 1075 O THR A 76 34.517 -2.128 3.383 1.00 40.01 O ATOM 1076 CB THR A 76 35.700 0.394 4.834 1.00 41.11 C ATOM 1077 OG1 THR A 76 34.641 1.357 4.854 1.00 55.14 O ATOM 1078 CG2 THR A 76 36.236 0.251 3.417 1.00 12.03 C ATOM 0 H THR A 76 36.740 -2.211 4.712 1.00 42.42 H new ATOM 0 HA THR A 76 34.723 -0.805 6.339 1.00 44.01 H new ATOM 0 HB THR A 76 36.511 0.733 5.479 1.00 41.11 H new ATOM 0 HG1 THR A 76 34.972 2.215 4.515 1.00 55.14 H new ATOM 0 HG21 THR A 76 36.589 1.219 3.062 1.00 12.03 H new ATOM 0 HG22 THR A 76 37.061 -0.461 3.410 1.00 12.03 H new ATOM 0 HG23 THR A 76 35.442 -0.108 2.762 1.00 12.03 H new ATOM 1086 N ALA A 77 32.887 -1.317 4.705 1.00 43.32 N ATOM 1087 CA ALA A 77 31.806 -1.802 3.856 1.00 44.44 C ATOM 1088 C ALA A 77 30.619 -0.845 3.879 1.00 72.40 C ATOM 1089 O ALA A 77 30.195 -0.393 4.942 1.00 12.13 O ATOM 1090 CB ALA A 77 31.375 -3.193 4.294 1.00 72.23 C ATOM 0 H ALA A 77 32.577 -0.818 5.539 1.00 43.32 H new ATOM 0 HA ALA A 77 32.176 -1.855 2.832 1.00 44.44 H new ATOM 0 HB1 ALA A 77 30.567 -3.543 3.651 1.00 72.23 H new ATOM 0 HB2 ALA A 77 32.221 -3.877 4.218 1.00 72.23 H new ATOM 0 HB3 ALA A 77 31.028 -3.158 5.327 1.00 72.23 H new ATOM 1096 N SER A 78 30.086 -0.541 2.700 1.00 64.34 N ATOM 1097 CA SER A 78 28.950 0.365 2.585 1.00 40.32 C ATOM 1098 C SER A 78 27.972 -0.122 1.520 1.00 33.24 C ATOM 1099 O SER A 78 28.378 -0.591 0.457 1.00 51.25 O ATOM 1100 CB SER A 78 29.430 1.778 2.244 1.00 34.44 C ATOM 1101 OG SER A 78 29.813 1.872 0.883 1.00 31.14 O ATOM 0 H SER A 78 30.423 -0.909 1.811 1.00 64.34 H new ATOM 0 HA SER A 78 28.435 0.385 3.545 1.00 40.32 H new ATOM 0 HB2 SER A 78 28.636 2.495 2.452 1.00 34.44 H new ATOM 0 HB3 SER A 78 30.274 2.043 2.882 1.00 34.44 H new ATOM 0 HG SER A 78 30.114 2.784 0.690 1.00 31.14 H new ATOM 1107 N ILE A 79 26.681 -0.008 1.815 1.00 22.14 N ATOM 1108 CA ILE A 79 25.645 -0.436 0.884 1.00 15.23 C ATOM 1109 C ILE A 79 24.510 0.581 0.820 1.00 50.11 C ATOM 1110 O ILE A 79 23.891 0.902 1.834 1.00 63.22 O ATOM 1111 CB ILE A 79 25.067 -1.808 1.277 1.00 72.53 C ATOM 1112 CG1 ILE A 79 23.950 -2.211 0.312 1.00 55.42 C ATOM 1113 CG2 ILE A 79 24.552 -1.777 2.708 1.00 22.00 C ATOM 1114 CD1 ILE A 79 24.406 -2.330 -1.125 1.00 50.44 C ATOM 0 H ILE A 79 26.328 0.377 2.691 1.00 22.14 H new ATOM 0 HA ILE A 79 26.115 -0.516 -0.096 1.00 15.23 H new ATOM 0 HB ILE A 79 25.862 -2.551 1.214 1.00 72.53 H new ATOM 0 HG12 ILE A 79 23.531 -3.165 0.632 1.00 55.42 H new ATOM 0 HG13 ILE A 79 23.148 -1.475 0.370 1.00 55.42 H new ATOM 0 HG21 ILE A 79 24.147 -2.754 2.970 1.00 22.00 H new ATOM 0 HG22 ILE A 79 25.371 -1.530 3.384 1.00 22.00 H new ATOM 0 HG23 ILE A 79 23.769 -1.024 2.797 1.00 22.00 H new ATOM 0 HD11 ILE A 79 23.562 -2.619 -1.752 1.00 50.44 H new ATOM 0 HD12 ILE A 79 24.798 -1.371 -1.463 1.00 50.44 H new ATOM 0 HD13 ILE A 79 25.187 -3.087 -1.197 1.00 50.44 H new ATOM 1126 N GLY A 80 24.241 1.084 -0.381 1.00 52.22 N ATOM 1127 CA GLY A 80 23.180 2.058 -0.556 1.00 55.44 C ATOM 1128 C GLY A 80 23.338 3.259 0.355 1.00 3.11 C ATOM 1129 O GLY A 80 24.134 4.156 0.079 1.00 24.44 O ATOM 0 H GLY A 80 24.739 0.834 -1.235 1.00 52.22 H new ATOM 0 HA2 GLY A 80 23.166 2.392 -1.593 1.00 55.44 H new ATOM 0 HA3 GLY A 80 22.219 1.582 -0.361 1.00 55.44 H new ATOM 1133 N GLY A 81 22.577 3.278 1.445 1.00 54.02 N ATOM 1134 CA GLY A 81 22.650 4.383 2.382 1.00 2.33 C ATOM 1135 C GLY A 81 23.489 4.055 3.602 1.00 75.54 C ATOM 1136 O GLY A 81 24.564 4.622 3.795 1.00 40.21 O ATOM 0 H GLY A 81 21.911 2.547 1.696 1.00 54.02 H new ATOM 0 HA2 GLY A 81 23.070 5.254 1.879 1.00 2.33 H new ATOM 0 HA3 GLY A 81 21.643 4.653 2.699 1.00 2.33 H new ATOM 1140 N ILE A 82 22.995 3.137 4.427 1.00 45.23 N ATOM 1141 CA ILE A 82 23.707 2.735 5.634 1.00 73.13 C ATOM 1142 C ILE A 82 25.020 2.040 5.292 1.00 45.31 C ATOM 1143 O ILE A 82 25.149 1.419 4.237 1.00 12.14 O ATOM 1144 CB ILE A 82 22.852 1.793 6.503 1.00 4.42 C ATOM 1145 CG1 ILE A 82 21.451 2.376 6.699 1.00 61.11 C ATOM 1146 CG2 ILE A 82 23.526 1.557 7.847 1.00 72.44 C ATOM 1147 CD1 ILE A 82 21.451 3.756 7.319 1.00 24.51 C ATOM 0 H ILE A 82 22.106 2.659 4.282 1.00 45.23 H new ATOM 0 HA ILE A 82 23.916 3.645 6.196 1.00 73.13 H new ATOM 0 HB ILE A 82 22.758 0.835 5.992 1.00 4.42 H new ATOM 0 HG12 ILE A 82 20.947 2.420 5.734 1.00 61.11 H new ATOM 0 HG13 ILE A 82 20.871 1.703 7.331 1.00 61.11 H new ATOM 0 HG21 ILE A 82 22.911 0.890 8.450 1.00 72.44 H new ATOM 0 HG22 ILE A 82 24.505 1.104 7.689 1.00 72.44 H new ATOM 0 HG23 ILE A 82 23.646 2.508 8.366 1.00 72.44 H new ATOM 0 HD11 ILE A 82 20.424 4.106 7.428 1.00 24.51 H new ATOM 0 HD12 ILE A 82 21.926 3.715 8.299 1.00 24.51 H new ATOM 0 HD13 ILE A 82 22.002 4.443 6.677 1.00 24.51 H new ATOM 1159 N GLN A 83 25.993 2.149 6.192 1.00 54.12 N ATOM 1160 CA GLN A 83 27.297 1.530 5.985 1.00 14.25 C ATOM 1161 C GLN A 83 27.960 1.202 7.319 1.00 64.13 C ATOM 1162 O GLN A 83 27.579 1.732 8.361 1.00 55.40 O ATOM 1163 CB GLN A 83 28.199 2.454 5.167 1.00 44.35 C ATOM 1164 CG GLN A 83 28.592 3.727 5.899 1.00 10.12 C ATOM 1165 CD GLN A 83 28.818 4.895 4.960 1.00 50.22 C ATOM 1166 OE1 GLN A 83 29.886 5.027 4.361 1.00 54.34 O ATOM 1167 NE2 GLN A 83 27.811 5.751 4.826 1.00 64.12 N ATOM 0 H GLN A 83 25.903 2.660 7.070 1.00 54.12 H new ATOM 0 HA GLN A 83 27.148 0.601 5.435 1.00 14.25 H new ATOM 0 HB2 GLN A 83 29.103 1.912 4.888 1.00 44.35 H new ATOM 0 HB3 GLN A 83 27.688 2.720 4.242 1.00 44.35 H new ATOM 0 HG2 GLN A 83 27.811 3.986 6.614 1.00 10.12 H new ATOM 0 HG3 GLN A 83 29.501 3.546 6.472 1.00 10.12 H new ATOM 0 HE21 GLN A 83 26.944 5.603 5.342 1.00 64.12 H new ATOM 0 HE22 GLN A 83 27.905 6.556 4.207 1.00 64.12 H new ATOM 1176 N GLY A 84 28.957 0.323 7.278 1.00 62.24 N ATOM 1177 CA GLY A 84 29.658 -0.061 8.489 1.00 71.40 C ATOM 1178 C GLY A 84 31.163 0.058 8.351 1.00 14.52 C ATOM 1179 O GLY A 84 31.699 -0.015 7.246 1.00 44.21 O ATOM 0 H GLY A 84 29.292 -0.130 6.427 1.00 62.24 H new ATOM 0 HA2 GLY A 84 29.321 0.566 9.314 1.00 71.40 H new ATOM 0 HA3 GLY A 84 29.400 -1.089 8.744 1.00 71.40 H new ATOM 1183 N SER A 85 31.845 0.245 9.476 1.00 4.13 N ATOM 1184 CA SER A 85 33.297 0.381 9.476 1.00 42.12 C ATOM 1185 C SER A 85 33.902 -0.245 10.729 1.00 50.22 C ATOM 1186 O SER A 85 33.404 -0.049 11.838 1.00 1.11 O ATOM 1187 CB SER A 85 33.692 1.857 9.387 1.00 23.54 C ATOM 1188 OG SER A 85 33.435 2.377 8.095 1.00 71.13 O ATOM 0 H SER A 85 31.416 0.306 10.399 1.00 4.13 H new ATOM 0 HA SER A 85 33.686 -0.145 8.605 1.00 42.12 H new ATOM 0 HB2 SER A 85 33.138 2.430 10.130 1.00 23.54 H new ATOM 0 HB3 SER A 85 34.750 1.968 9.623 1.00 23.54 H new ATOM 0 HG SER A 85 33.694 3.322 8.065 1.00 71.13 H new ATOM 1194 N THR A 86 34.980 -1.000 10.544 1.00 23.20 N ATOM 1195 CA THR A 86 35.654 -1.657 11.658 1.00 54.45 C ATOM 1196 C THR A 86 37.168 -1.527 11.538 1.00 72.42 C ATOM 1197 O THR A 86 37.703 -1.386 10.438 1.00 23.03 O ATOM 1198 CB THR A 86 35.282 -3.149 11.738 1.00 71.35 C ATOM 1199 OG1 THR A 86 36.195 -3.836 12.600 1.00 24.12 O ATOM 1200 CG2 THR A 86 35.304 -3.787 10.357 1.00 73.24 C ATOM 0 H THR A 86 35.406 -1.172 9.633 1.00 23.20 H new ATOM 0 HA THR A 86 35.321 -1.158 12.568 1.00 54.45 H new ATOM 0 HB THR A 86 34.273 -3.228 12.142 1.00 71.35 H new ATOM 0 HG1 THR A 86 35.763 -4.010 13.462 1.00 24.12 H new ATOM 0 HG21 THR A 86 35.038 -4.841 10.439 1.00 73.24 H new ATOM 0 HG22 THR A 86 34.587 -3.281 9.711 1.00 73.24 H new ATOM 0 HG23 THR A 86 36.303 -3.697 9.931 1.00 73.24 H new ATOM 1208 N ASP A 87 37.853 -1.577 12.675 1.00 73.31 N ATOM 1209 CA ASP A 87 39.307 -1.468 12.697 1.00 13.52 C ATOM 1210 C ASP A 87 39.944 -2.783 13.134 1.00 3.30 C ATOM 1211 O ASP A 87 39.517 -3.397 14.112 1.00 44.01 O ATOM 1212 CB ASP A 87 39.740 -0.340 13.635 1.00 0.12 C ATOM 1213 CG ASP A 87 41.198 -0.448 14.036 1.00 62.23 C ATOM 1214 OD1 ASP A 87 42.061 0.036 13.273 1.00 31.21 O ATOM 1215 OD2 ASP A 87 41.477 -1.016 15.112 1.00 33.22 O ATOM 0 H ASP A 87 37.425 -1.692 13.594 1.00 73.31 H new ATOM 0 HA ASP A 87 39.646 -1.240 11.686 1.00 13.52 H new ATOM 0 HB2 ASP A 87 39.571 0.620 13.147 1.00 0.12 H new ATOM 0 HB3 ASP A 87 39.118 -0.357 14.530 1.00 0.12 H new ATOM 1220 N PHE A 88 40.968 -3.210 12.402 1.00 10.12 N ATOM 1221 CA PHE A 88 41.663 -4.454 12.713 1.00 44.53 C ATOM 1222 C PHE A 88 43.164 -4.216 12.856 1.00 60.44 C ATOM 1223 O PHE A 88 43.772 -3.508 12.053 1.00 71.13 O ATOM 1224 CB PHE A 88 41.402 -5.495 11.623 1.00 53.24 C ATOM 1225 CG PHE A 88 40.407 -6.546 12.024 1.00 20.13 C ATOM 1226 CD1 PHE A 88 39.190 -6.190 12.583 1.00 40.22 C ATOM 1227 CD2 PHE A 88 40.689 -7.891 11.843 1.00 54.51 C ATOM 1228 CE1 PHE A 88 38.273 -7.155 12.954 1.00 24.30 C ATOM 1229 CE2 PHE A 88 39.776 -8.861 12.212 1.00 54.42 C ATOM 1230 CZ PHE A 88 38.566 -8.492 12.767 1.00 30.22 C ATOM 0 H PHE A 88 41.335 -2.713 11.590 1.00 10.12 H new ATOM 0 HA PHE A 88 41.280 -4.828 13.662 1.00 44.53 H new ATOM 0 HB2 PHE A 88 41.043 -4.989 10.727 1.00 53.24 H new ATOM 0 HB3 PHE A 88 42.343 -5.978 11.360 1.00 53.24 H new ATOM 0 HD1 PHE A 88 38.955 -5.146 12.730 1.00 40.22 H new ATOM 0 HD2 PHE A 88 41.633 -8.185 11.409 1.00 54.51 H new ATOM 0 HE1 PHE A 88 37.328 -6.864 13.390 1.00 24.30 H new ATOM 0 HE2 PHE A 88 40.008 -9.906 12.067 1.00 54.42 H new ATOM 0 HZ PHE A 88 37.850 -9.248 13.054 1.00 30.22 H new ATOM 1240 N LYS A 89 43.756 -4.814 13.884 1.00 11.23 N ATOM 1241 CA LYS A 89 45.185 -4.670 14.134 1.00 1.14 C ATOM 1242 C LYS A 89 45.851 -6.034 14.289 1.00 55.23 C ATOM 1243 O LYS A 89 45.641 -6.729 15.283 1.00 4.20 O ATOM 1244 CB LYS A 89 45.422 -3.830 15.392 1.00 72.14 C ATOM 1245 CG LYS A 89 45.664 -2.359 15.103 1.00 13.55 C ATOM 1246 CD LYS A 89 46.842 -1.821 15.899 1.00 53.14 C ATOM 1247 CE LYS A 89 46.702 -0.330 16.163 1.00 14.31 C ATOM 1248 NZ LYS A 89 47.345 0.486 15.096 1.00 23.22 N ATOM 0 H LYS A 89 43.268 -5.404 14.558 1.00 11.23 H new ATOM 0 HA LYS A 89 45.629 -4.164 13.277 1.00 1.14 H new ATOM 0 HB2 LYS A 89 44.559 -3.925 16.051 1.00 72.14 H new ATOM 0 HB3 LYS A 89 46.280 -4.232 15.931 1.00 72.14 H new ATOM 0 HG2 LYS A 89 45.851 -2.222 14.038 1.00 13.55 H new ATOM 0 HG3 LYS A 89 44.768 -1.787 15.346 1.00 13.55 H new ATOM 0 HD2 LYS A 89 46.916 -2.354 16.847 1.00 53.14 H new ATOM 0 HD3 LYS A 89 47.767 -2.010 15.354 1.00 53.14 H new ATOM 0 HE2 LYS A 89 45.645 -0.071 16.231 1.00 14.31 H new ATOM 0 HE3 LYS A 89 47.152 -0.088 17.126 1.00 14.31 H new ATOM 0 HZ1 LYS A 89 47.227 1.496 15.313 1.00 23.22 H new ATOM 0 HZ2 LYS A 89 48.359 0.258 15.048 1.00 23.22 H new ATOM 0 HZ3 LYS A 89 46.899 0.274 14.181 1.00 23.22 H new ATOM 1262 N VAL A 90 46.654 -6.411 13.299 1.00 1.50 N ATOM 1263 CA VAL A 90 47.352 -7.690 13.326 1.00 24.23 C ATOM 1264 C VAL A 90 48.791 -7.521 13.803 1.00 73.33 C ATOM 1265 O VAL A 90 49.645 -7.022 13.070 1.00 64.42 O ATOM 1266 CB VAL A 90 47.358 -8.356 11.938 1.00 61.25 C ATOM 1267 CG1 VAL A 90 48.136 -9.663 11.975 1.00 52.11 C ATOM 1268 CG2 VAL A 90 45.935 -8.587 11.452 1.00 50.10 C ATOM 0 H VAL A 90 46.837 -5.848 12.468 1.00 1.50 H new ATOM 0 HA VAL A 90 46.813 -8.330 14.025 1.00 24.23 H new ATOM 0 HB VAL A 90 47.854 -7.686 11.235 1.00 61.25 H new ATOM 0 HG11 VAL A 90 48.129 -10.119 10.985 1.00 52.11 H new ATOM 0 HG12 VAL A 90 49.165 -9.466 12.276 1.00 52.11 H new ATOM 0 HG13 VAL A 90 47.672 -10.342 12.690 1.00 52.11 H new ATOM 0 HG21 VAL A 90 45.958 -9.058 10.469 1.00 50.10 H new ATOM 0 HG22 VAL A 90 45.412 -9.236 12.154 1.00 50.10 H new ATOM 0 HG23 VAL A 90 45.414 -7.632 11.384 1.00 50.10 H new ATOM 1278 N THR A 91 49.053 -7.941 15.037 1.00 72.03 N ATOM 1279 CA THR A 91 50.388 -7.836 15.612 1.00 34.03 C ATOM 1280 C THR A 91 50.885 -9.192 16.100 1.00 75.35 C ATOM 1281 O THR A 91 50.108 -10.001 16.607 1.00 64.52 O ATOM 1282 CB THR A 91 50.416 -6.839 16.787 1.00 62.55 C ATOM 1283 OG1 THR A 91 49.676 -7.365 17.894 1.00 73.44 O ATOM 1284 CG2 THR A 91 49.833 -5.497 16.371 1.00 31.35 C ATOM 0 H THR A 91 48.358 -8.357 15.657 1.00 72.03 H new ATOM 0 HA THR A 91 51.045 -7.474 14.821 1.00 34.03 H new ATOM 0 HB THR A 91 51.454 -6.690 17.084 1.00 62.55 H new ATOM 0 HG1 THR A 91 49.700 -6.726 18.637 1.00 73.44 H new ATOM 0 HG21 THR A 91 49.863 -4.809 17.216 1.00 31.35 H new ATOM 0 HG22 THR A 91 50.417 -5.086 15.548 1.00 31.35 H new ATOM 0 HG23 THR A 91 48.800 -5.633 16.050 1.00 31.35 H new ATOM 1292 N GLN A 92 52.182 -9.433 15.943 1.00 61.24 N ATOM 1293 CA GLN A 92 52.782 -10.693 16.367 1.00 14.32 C ATOM 1294 C GLN A 92 53.395 -10.562 17.757 1.00 24.13 C ATOM 1295 O GLN A 92 53.635 -11.560 18.438 1.00 30.00 O ATOM 1296 CB GLN A 92 53.849 -11.137 15.365 1.00 35.44 C ATOM 1297 CG GLN A 92 54.992 -10.147 15.214 1.00 54.31 C ATOM 1298 CD GLN A 92 55.984 -10.560 14.145 1.00 0.30 C ATOM 1299 OE1 GLN A 92 56.405 -11.715 14.086 1.00 62.32 O ATOM 1300 NE2 GLN A 92 56.364 -9.615 13.292 1.00 34.14 N ATOM 0 H GLN A 92 52.838 -8.773 15.525 1.00 61.24 H new ATOM 0 HA GLN A 92 51.996 -11.447 16.406 1.00 14.32 H new ATOM 0 HB2 GLN A 92 54.252 -12.100 15.679 1.00 35.44 H new ATOM 0 HB3 GLN A 92 53.381 -11.290 14.393 1.00 35.44 H new ATOM 0 HG2 GLN A 92 54.587 -9.165 14.969 1.00 54.31 H new ATOM 0 HG3 GLN A 92 55.511 -10.049 16.167 1.00 54.31 H new ATOM 0 HE21 GLN A 92 55.990 -8.670 13.378 1.00 34.14 H new ATOM 0 HE22 GLN A 92 57.030 -9.834 12.551 1.00 34.14 H new TER 1309 GLN A 92