USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=30 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 19 LYS NZ :NH3+ 180:sc= 0.351 (180deg=0.351) USER MOD Set 1.2: A 70 GLN : amide:sc= 0 X(o=0.35,f=0.34) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.017 (180deg=-0.703) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.169 (180deg=-0.792) USER MOD Single : A 7 SER OG : rot 180:sc= -1.94! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0343 K(o=0.034,f=-2.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.208 USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.47 USER MOD Single : A 22 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.077) USER MOD Single : A 24 ASN : amide:sc= 0.852 K(o=0.85,f=-0.032) USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.636) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.226 USER MOD Single : A 34 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.77! C(o=-5.8!,f=-2.8!) USER MOD Single : A 37 SER OG : rot 103:sc= 0.963 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.25) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -59:sc= -3.2! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.6) USER MOD Single : A 50 THR OG1 : rot -139:sc= -0.0289 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= -6.2! C(o=-6.2!,f=-3.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.171 USER MOD Single : A 62 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -130:sc= -0.332 USER MOD Single : A 69 ASN : amide:sc= -2.01 K(o=-2,f=-4.8!) USER MOD Single : A 72 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -1 USER MOD Single : A 83 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.166) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.673 2.557 2.947 1.00 44.20 N ATOM 2 CA MET A 1 -0.438 2.242 1.543 1.00 43.45 C ATOM 3 C MET A 1 0.735 3.049 0.993 1.00 20.44 C ATOM 4 O MET A 1 1.096 4.101 1.520 1.00 40.54 O ATOM 5 CB MET A 1 -1.695 2.523 0.718 1.00 73.23 C ATOM 6 CG MET A 1 -2.398 3.815 1.102 1.00 72.25 C ATOM 7 SD MET A 1 -3.864 3.534 2.113 1.00 21.14 S ATOM 8 CE MET A 1 -3.398 4.375 3.625 1.00 72.42 C ATOM 0 H1 MET A 1 -1.656 2.326 3.195 1.00 44.20 H new ATOM 0 H2 MET A 1 -0.027 1.999 3.541 1.00 44.20 H new ATOM 0 H3 MET A 1 -0.504 3.570 3.108 1.00 44.20 H new ATOM 0 HA MET A 1 -0.193 1.182 1.471 1.00 43.45 H new ATOM 0 HB2 MET A 1 -1.425 2.566 -0.337 1.00 73.23 H new ATOM 0 HB3 MET A 1 -2.390 1.692 0.836 1.00 73.23 H new ATOM 0 HG2 MET A 1 -1.703 4.454 1.646 1.00 72.25 H new ATOM 0 HG3 MET A 1 -2.683 4.352 0.197 1.00 72.25 H new ATOM 0 HE1 MET A 1 -4.292 4.603 4.205 1.00 72.42 H new ATOM 0 HE2 MET A 1 -2.740 3.733 4.210 1.00 72.42 H new ATOM 0 HE3 MET A 1 -2.878 5.301 3.381 1.00 72.42 H new ATOM 18 N PRO A 2 1.345 2.545 -0.090 1.00 23.35 N ATOM 19 CA PRO A 2 2.486 3.203 -0.733 1.00 62.32 C ATOM 20 C PRO A 2 2.088 4.495 -1.438 1.00 22.01 C ATOM 21 O PRO A 2 0.935 4.669 -1.830 1.00 51.22 O ATOM 22 CB PRO A 2 2.967 2.165 -1.751 1.00 34.24 C ATOM 23 CG PRO A 2 1.763 1.338 -2.045 1.00 71.22 C ATOM 24 CD PRO A 2 0.968 1.294 -0.769 1.00 43.13 C ATOM 0 HA PRO A 2 3.247 3.496 -0.010 1.00 62.32 H new ATOM 0 HB2 PRO A 2 3.349 2.643 -2.653 1.00 34.24 H new ATOM 0 HB3 PRO A 2 3.776 1.557 -1.345 1.00 34.24 H new ATOM 0 HG2 PRO A 2 1.178 1.775 -2.854 1.00 71.22 H new ATOM 0 HG3 PRO A 2 2.047 0.335 -2.363 1.00 71.22 H new ATOM 0 HD2 PRO A 2 -0.103 1.250 -0.964 1.00 43.13 H new ATOM 0 HD3 PRO A 2 1.219 0.419 -0.169 1.00 43.13 H new ATOM 32 N ALA A 3 3.050 5.398 -1.596 1.00 3.14 N ATOM 33 CA ALA A 3 2.800 6.673 -2.256 1.00 1.54 C ATOM 34 C ALA A 3 3.959 7.055 -3.170 1.00 4.33 C ATOM 35 O ALA A 3 5.065 6.530 -3.038 1.00 54.43 O ATOM 36 CB ALA A 3 2.559 7.764 -1.222 1.00 50.03 C ATOM 0 H ALA A 3 4.010 5.270 -1.276 1.00 3.14 H new ATOM 0 HA ALA A 3 1.907 6.566 -2.871 1.00 1.54 H new ATOM 0 HB1 ALA A 3 2.374 8.711 -1.729 1.00 50.03 H new ATOM 0 HB2 ALA A 3 1.694 7.503 -0.613 1.00 50.03 H new ATOM 0 HB3 ALA A 3 3.437 7.860 -0.583 1.00 50.03 H new ATOM 42 N ALA A 4 3.699 7.972 -4.096 1.00 61.44 N ATOM 43 CA ALA A 4 4.721 8.424 -5.032 1.00 5.34 C ATOM 44 C ALA A 4 4.779 9.947 -5.087 1.00 41.12 C ATOM 45 O ALA A 4 3.746 10.617 -5.125 1.00 71.32 O ATOM 46 CB ALA A 4 4.459 7.853 -6.417 1.00 44.12 C ATOM 0 H ALA A 4 2.789 8.417 -4.218 1.00 61.44 H new ATOM 0 HA ALA A 4 5.687 8.062 -4.680 1.00 5.34 H new ATOM 0 HB1 ALA A 4 5.230 8.199 -7.105 1.00 44.12 H new ATOM 0 HB2 ALA A 4 4.476 6.764 -6.371 1.00 44.12 H new ATOM 0 HB3 ALA A 4 3.483 8.186 -6.769 1.00 44.12 H new ATOM 52 N LEU A 5 5.992 10.489 -5.091 1.00 60.31 N ATOM 53 CA LEU A 5 6.184 11.934 -5.142 1.00 24.15 C ATOM 54 C LEU A 5 5.462 12.538 -6.341 1.00 71.04 C ATOM 55 O LEU A 5 5.298 11.887 -7.373 1.00 73.50 O ATOM 56 CB LEU A 5 7.676 12.268 -5.209 1.00 33.33 C ATOM 57 CG LEU A 5 8.556 11.628 -4.134 1.00 72.13 C ATOM 58 CD1 LEU A 5 10.019 11.670 -4.548 1.00 33.11 C ATOM 59 CD2 LEU A 5 8.357 12.326 -2.797 1.00 4.30 C ATOM 0 H LEU A 5 6.857 9.950 -5.060 1.00 60.31 H new ATOM 0 HA LEU A 5 5.762 12.364 -4.234 1.00 24.15 H new ATOM 0 HB2 LEU A 5 8.052 11.965 -6.186 1.00 33.33 H new ATOM 0 HB3 LEU A 5 7.789 13.350 -5.146 1.00 33.33 H new ATOM 0 HG LEU A 5 8.261 10.585 -4.023 1.00 72.13 H new ATOM 0 HD11 LEU A 5 10.630 11.210 -3.771 1.00 33.11 H new ATOM 0 HD12 LEU A 5 10.149 11.124 -5.482 1.00 33.11 H new ATOM 0 HD13 LEU A 5 10.328 12.706 -4.687 1.00 33.11 H new ATOM 0 HD21 LEU A 5 8.991 11.858 -2.044 1.00 4.30 H new ATOM 0 HD22 LEU A 5 8.624 13.378 -2.893 1.00 4.30 H new ATOM 0 HD23 LEU A 5 7.313 12.243 -2.495 1.00 4.30 H new ATOM 71 N VAL A 6 5.034 13.788 -6.200 1.00 13.41 N ATOM 72 CA VAL A 6 4.332 14.482 -7.273 1.00 53.21 C ATOM 73 C VAL A 6 4.576 15.986 -7.207 1.00 74.32 C ATOM 74 O VAL A 6 5.333 16.538 -8.006 1.00 33.45 O ATOM 75 CB VAL A 6 2.816 14.216 -7.216 1.00 53.10 C ATOM 76 CG1 VAL A 6 2.091 15.028 -8.278 1.00 75.14 C ATOM 77 CG2 VAL A 6 2.529 12.731 -7.380 1.00 43.12 C ATOM 0 H VAL A 6 5.161 14.341 -5.353 1.00 13.41 H new ATOM 0 HA VAL A 6 4.726 14.094 -8.212 1.00 53.21 H new ATOM 0 HB VAL A 6 2.447 14.528 -6.239 1.00 53.10 H new ATOM 0 HG11 VAL A 6 1.021 14.827 -8.222 1.00 75.14 H new ATOM 0 HG12 VAL A 6 2.270 16.090 -8.109 1.00 75.14 H new ATOM 0 HG13 VAL A 6 2.462 14.750 -9.265 1.00 75.14 H new ATOM 0 HG21 VAL A 6 1.453 12.561 -7.337 1.00 43.12 H new ATOM 0 HG22 VAL A 6 2.912 12.390 -8.342 1.00 43.12 H new ATOM 0 HG23 VAL A 6 3.016 12.176 -6.578 1.00 43.12 H new ATOM 87 N SER A 7 3.929 16.643 -6.250 1.00 0.11 N ATOM 88 CA SER A 7 4.073 18.084 -6.081 1.00 52.43 C ATOM 89 C SER A 7 4.272 18.442 -4.612 1.00 12.24 C ATOM 90 O SER A 7 4.115 17.597 -3.729 1.00 45.53 O ATOM 91 CB SER A 7 2.843 18.809 -6.632 1.00 62.13 C ATOM 92 OG SER A 7 2.339 18.154 -7.783 1.00 54.02 O ATOM 0 H SER A 7 3.300 16.200 -5.580 1.00 0.11 H new ATOM 0 HA SER A 7 4.954 18.403 -6.637 1.00 52.43 H new ATOM 0 HB2 SER A 7 2.069 18.852 -5.866 1.00 62.13 H new ATOM 0 HB3 SER A 7 3.104 19.838 -6.880 1.00 62.13 H new ATOM 0 HG SER A 7 1.553 18.635 -8.115 1.00 54.02 H new ATOM 98 N ILE A 8 4.618 19.700 -4.357 1.00 34.41 N ATOM 99 CA ILE A 8 4.837 20.170 -2.995 1.00 1.10 C ATOM 100 C ILE A 8 4.480 21.646 -2.859 1.00 14.30 C ATOM 101 O ILE A 8 4.627 22.421 -3.804 1.00 73.23 O ATOM 102 CB ILE A 8 6.299 19.965 -2.557 1.00 45.34 C ATOM 103 CG1 ILE A 8 7.222 20.915 -3.325 1.00 21.53 C ATOM 104 CG2 ILE A 8 6.720 18.519 -2.774 1.00 54.22 C ATOM 105 CD1 ILE A 8 8.675 20.803 -2.920 1.00 64.13 C ATOM 0 H ILE A 8 4.752 20.411 -5.076 1.00 34.41 H new ATOM 0 HA ILE A 8 4.187 19.580 -2.349 1.00 1.10 H new ATOM 0 HB ILE A 8 6.379 20.190 -1.494 1.00 45.34 H new ATOM 0 HG12 ILE A 8 7.134 20.711 -4.392 1.00 21.53 H new ATOM 0 HG13 ILE A 8 6.887 21.940 -3.168 1.00 21.53 H new ATOM 0 HG21 ILE A 8 7.756 18.391 -2.460 1.00 54.22 H new ATOM 0 HG22 ILE A 8 6.078 17.861 -2.187 1.00 54.22 H new ATOM 0 HG23 ILE A 8 6.628 18.268 -3.831 1.00 54.22 H new ATOM 0 HD11 ILE A 8 9.271 21.504 -3.504 1.00 64.13 H new ATOM 0 HD12 ILE A 8 8.776 21.036 -1.860 1.00 64.13 H new ATOM 0 HD13 ILE A 8 9.027 19.788 -3.103 1.00 64.13 H new ATOM 117 N SER A 9 4.011 22.029 -1.676 1.00 13.43 N ATOM 118 CA SER A 9 3.630 23.413 -1.416 1.00 22.12 C ATOM 119 C SER A 9 4.765 24.169 -0.732 1.00 41.20 C ATOM 120 O SER A 9 5.066 23.935 0.439 1.00 52.44 O ATOM 121 CB SER A 9 2.372 23.463 -0.547 1.00 1.33 C ATOM 122 OG SER A 9 1.447 24.416 -1.043 1.00 24.32 O ATOM 0 H SER A 9 3.886 21.401 -0.882 1.00 13.43 H new ATOM 0 HA SER A 9 3.421 23.893 -2.372 1.00 22.12 H new ATOM 0 HB2 SER A 9 1.905 22.478 -0.520 1.00 1.33 H new ATOM 0 HB3 SER A 9 2.644 23.715 0.478 1.00 1.33 H new ATOM 0 HG SER A 9 0.651 24.428 -0.471 1.00 24.32 H new ATOM 128 N VAL A 10 5.393 25.078 -1.472 1.00 75.11 N ATOM 129 CA VAL A 10 6.494 25.870 -0.938 1.00 51.45 C ATOM 130 C VAL A 10 6.174 27.360 -0.988 1.00 54.15 C ATOM 131 O VAL A 10 5.669 27.864 -1.992 1.00 62.20 O ATOM 132 CB VAL A 10 7.799 25.611 -1.714 1.00 23.23 C ATOM 133 CG1 VAL A 10 8.293 24.193 -1.469 1.00 2.25 C ATOM 134 CG2 VAL A 10 7.595 25.864 -3.200 1.00 21.42 C ATOM 0 H VAL A 10 5.158 25.284 -2.443 1.00 75.11 H new ATOM 0 HA VAL A 10 6.630 25.565 0.100 1.00 51.45 H new ATOM 0 HB VAL A 10 8.560 26.303 -1.353 1.00 23.23 H new ATOM 0 HG11 VAL A 10 9.216 24.028 -2.025 1.00 2.25 H new ATOM 0 HG12 VAL A 10 8.481 24.052 -0.405 1.00 2.25 H new ATOM 0 HG13 VAL A 10 7.537 23.482 -1.801 1.00 2.25 H new ATOM 0 HG21 VAL A 10 8.527 25.676 -3.732 1.00 21.42 H new ATOM 0 HG22 VAL A 10 6.820 25.198 -3.579 1.00 21.42 H new ATOM 0 HG23 VAL A 10 7.291 26.899 -3.354 1.00 21.42 H new ATOM 144 N SER A 11 6.471 28.061 0.101 1.00 33.55 N ATOM 145 CA SER A 11 6.211 29.493 0.184 1.00 44.24 C ATOM 146 C SER A 11 7.513 30.273 0.342 1.00 64.40 C ATOM 147 O SER A 11 7.774 30.892 1.373 1.00 4.33 O ATOM 148 CB SER A 11 5.276 29.797 1.355 1.00 0.25 C ATOM 149 OG SER A 11 3.919 29.757 0.949 1.00 62.43 O ATOM 0 H SER A 11 6.892 27.660 0.939 1.00 33.55 H new ATOM 0 HA SER A 11 5.731 29.804 -0.744 1.00 44.24 H new ATOM 0 HB2 SER A 11 5.441 29.074 2.153 1.00 0.25 H new ATOM 0 HB3 SER A 11 5.508 30.781 1.763 1.00 0.25 H new ATOM 0 HG SER A 11 3.342 29.953 1.716 1.00 62.43 H new ATOM 155 N PRO A 12 8.351 30.242 -0.705 1.00 25.32 N ATOM 156 CA PRO A 12 9.640 30.940 -0.708 1.00 24.12 C ATOM 157 C PRO A 12 9.479 32.455 -0.757 1.00 13.41 C ATOM 158 O PRO A 12 8.752 32.986 -1.598 1.00 44.20 O ATOM 159 CB PRO A 12 10.316 30.433 -1.984 1.00 72.53 C ATOM 160 CG PRO A 12 9.191 30.031 -2.874 1.00 55.54 C ATOM 161 CD PRO A 12 8.105 29.523 -1.966 1.00 41.23 C ATOM 0 HA PRO A 12 10.211 30.744 0.200 1.00 24.12 H new ATOM 0 HB2 PRO A 12 10.927 31.210 -2.444 1.00 72.53 H new ATOM 0 HB3 PRO A 12 10.976 29.591 -1.775 1.00 72.53 H new ATOM 0 HG2 PRO A 12 8.841 30.876 -3.466 1.00 55.54 H new ATOM 0 HG3 PRO A 12 9.506 29.259 -3.576 1.00 55.54 H new ATOM 0 HD2 PRO A 12 7.114 29.739 -2.365 1.00 41.23 H new ATOM 0 HD3 PRO A 12 8.166 28.443 -1.831 1.00 41.23 H new ATOM 169 N THR A 13 10.161 33.149 0.150 1.00 75.42 N ATOM 170 CA THR A 13 10.092 34.603 0.210 1.00 12.11 C ATOM 171 C THR A 13 11.454 35.230 -0.064 1.00 22.32 C ATOM 172 O THR A 13 12.382 35.092 0.732 1.00 43.02 O ATOM 173 CB THR A 13 9.584 35.085 1.582 1.00 3.12 C ATOM 174 OG1 THR A 13 8.315 34.489 1.872 1.00 23.54 O ATOM 175 CG2 THR A 13 9.456 36.601 1.610 1.00 70.32 C ATOM 0 H THR A 13 10.767 32.726 0.853 1.00 75.42 H new ATOM 0 HA THR A 13 9.389 34.918 -0.561 1.00 12.11 H new ATOM 0 HB THR A 13 10.308 34.783 2.339 1.00 3.12 H new ATOM 0 HG1 THR A 13 8.000 34.799 2.747 1.00 23.54 H new ATOM 0 HG21 THR A 13 9.096 36.918 2.589 1.00 70.32 H new ATOM 0 HG22 THR A 13 10.430 37.052 1.418 1.00 70.32 H new ATOM 0 HG23 THR A 13 8.751 36.921 0.843 1.00 70.32 H new ATOM 183 N ASN A 14 11.567 35.919 -1.195 1.00 13.15 N ATOM 184 CA ASN A 14 12.817 36.568 -1.573 1.00 60.41 C ATOM 185 C ASN A 14 12.846 38.016 -1.093 1.00 71.52 C ATOM 186 O ASN A 14 12.067 38.849 -1.555 1.00 51.13 O ATOM 187 CB ASN A 14 13.002 36.518 -3.091 1.00 63.10 C ATOM 188 CG ASN A 14 11.833 37.131 -3.837 1.00 35.34 C ATOM 189 OD1 ASN A 14 10.736 36.572 -3.860 1.00 72.14 O ATOM 190 ND2 ASN A 14 12.062 38.286 -4.450 1.00 60.34 N ATOM 0 H ASN A 14 10.808 36.042 -1.865 1.00 13.15 H new ATOM 0 HA ASN A 14 13.636 36.030 -1.095 1.00 60.41 H new ATOM 0 HB2 ASN A 14 13.918 37.045 -3.360 1.00 63.10 H new ATOM 0 HB3 ASN A 14 13.127 35.482 -3.405 1.00 63.10 H new ATOM 0 HD21 ASN A 14 11.313 38.746 -4.967 1.00 60.34 H new ATOM 0 HD22 ASN A 14 12.987 38.713 -4.404 1.00 60.34 H new ATOM 197 N SER A 15 13.750 38.307 -0.164 1.00 0.25 N ATOM 198 CA SER A 15 13.879 39.653 0.382 1.00 51.42 C ATOM 199 C SER A 15 15.219 39.827 1.089 1.00 24.03 C ATOM 200 O SER A 15 16.102 38.974 0.992 1.00 60.31 O ATOM 201 CB SER A 15 12.734 39.944 1.355 1.00 45.24 C ATOM 202 OG SER A 15 12.642 41.331 1.633 1.00 74.50 O ATOM 0 H SER A 15 14.404 37.629 0.227 1.00 0.25 H new ATOM 0 HA SER A 15 13.831 40.360 -0.446 1.00 51.42 H new ATOM 0 HB2 SER A 15 11.794 39.592 0.931 1.00 45.24 H new ATOM 0 HB3 SER A 15 12.892 39.394 2.282 1.00 45.24 H new ATOM 0 HG SER A 15 11.902 41.492 2.255 1.00 74.50 H new ATOM 208 N THR A 16 15.365 40.939 1.803 1.00 43.32 N ATOM 209 CA THR A 16 16.597 41.227 2.526 1.00 3.22 C ATOM 210 C THR A 16 16.312 41.570 3.984 1.00 73.02 C ATOM 211 O THR A 16 15.294 42.187 4.299 1.00 3.31 O ATOM 212 CB THR A 16 17.370 42.392 1.879 1.00 71.13 C ATOM 213 OG1 THR A 16 18.588 42.630 2.594 1.00 75.42 O ATOM 214 CG2 THR A 16 16.528 43.659 1.865 1.00 30.25 C ATOM 0 H THR A 16 14.645 41.655 1.896 1.00 43.32 H new ATOM 0 HA THR A 16 17.208 40.325 2.480 1.00 3.22 H new ATOM 0 HB THR A 16 17.602 42.117 0.850 1.00 71.13 H new ATOM 0 HG1 THR A 16 18.900 41.793 2.996 1.00 75.42 H new ATOM 0 HG21 THR A 16 17.095 44.468 1.404 1.00 30.25 H new ATOM 0 HG22 THR A 16 15.616 43.484 1.294 1.00 30.25 H new ATOM 0 HG23 THR A 16 16.269 43.935 2.887 1.00 30.25 H new ATOM 222 N VAL A 17 17.216 41.166 4.870 1.00 3.21 N ATOM 223 CA VAL A 17 17.062 41.433 6.295 1.00 22.53 C ATOM 224 C VAL A 17 18.371 41.918 6.908 1.00 11.13 C ATOM 225 O VAL A 17 19.453 41.624 6.401 1.00 53.04 O ATOM 226 CB VAL A 17 16.588 40.178 7.053 1.00 54.14 C ATOM 227 CG1 VAL A 17 17.686 39.126 7.085 1.00 51.22 C ATOM 228 CG2 VAL A 17 16.145 40.542 8.462 1.00 44.42 C ATOM 0 H VAL A 17 18.063 40.652 4.626 1.00 3.21 H new ATOM 0 HA VAL A 17 16.308 42.214 6.391 1.00 22.53 H new ATOM 0 HB VAL A 17 15.732 39.758 6.525 1.00 54.14 H new ATOM 0 HG11 VAL A 17 17.332 38.247 7.624 1.00 51.22 H new ATOM 0 HG12 VAL A 17 17.950 38.844 6.066 1.00 51.22 H new ATOM 0 HG13 VAL A 17 18.564 39.532 7.588 1.00 51.22 H new ATOM 0 HG21 VAL A 17 15.813 39.644 8.983 1.00 44.42 H new ATOM 0 HG22 VAL A 17 16.980 40.987 9.002 1.00 44.42 H new ATOM 0 HG23 VAL A 17 15.323 41.256 8.412 1.00 44.42 H new ATOM 238 N ALA A 18 18.264 42.663 8.004 1.00 43.03 N ATOM 239 CA ALA A 18 19.440 43.188 8.688 1.00 35.51 C ATOM 240 C ALA A 18 20.223 42.070 9.368 1.00 1.14 C ATOM 241 O ALA A 18 19.752 40.936 9.464 1.00 42.50 O ATOM 242 CB ALA A 18 19.031 44.243 9.705 1.00 32.11 C ATOM 0 H ALA A 18 17.376 42.916 8.437 1.00 43.03 H new ATOM 0 HA ALA A 18 20.088 43.649 7.943 1.00 35.51 H new ATOM 0 HB1 ALA A 18 19.918 44.627 10.208 1.00 32.11 H new ATOM 0 HB2 ALA A 18 18.521 45.061 9.196 1.00 32.11 H new ATOM 0 HB3 ALA A 18 18.360 43.799 10.440 1.00 32.11 H new ATOM 248 N LYS A 19 21.422 42.396 9.839 1.00 11.43 N ATOM 249 CA LYS A 19 22.272 41.421 10.512 1.00 72.24 C ATOM 250 C LYS A 19 21.616 40.921 11.795 1.00 62.21 C ATOM 251 O LYS A 19 21.285 41.707 12.681 1.00 14.01 O ATOM 252 CB LYS A 19 23.636 42.036 10.830 1.00 45.13 C ATOM 253 CG LYS A 19 24.802 41.096 10.574 1.00 51.31 C ATOM 254 CD LYS A 19 25.954 41.365 11.527 1.00 65.10 C ATOM 255 CE LYS A 19 27.271 40.843 10.971 1.00 54.41 C ATOM 256 NZ LYS A 19 28.420 41.702 11.369 1.00 2.22 N ATOM 0 H LYS A 19 21.827 43.329 9.767 1.00 11.43 H new ATOM 0 HA LYS A 19 22.411 40.573 9.841 1.00 72.24 H new ATOM 0 HB2 LYS A 19 23.768 42.937 10.230 1.00 45.13 H new ATOM 0 HB3 LYS A 19 23.651 42.344 11.875 1.00 45.13 H new ATOM 0 HG2 LYS A 19 24.470 40.064 10.685 1.00 51.31 H new ATOM 0 HG3 LYS A 19 25.145 41.211 9.546 1.00 51.31 H new ATOM 0 HD2 LYS A 19 26.034 42.437 11.709 1.00 65.10 H new ATOM 0 HD3 LYS A 19 25.751 40.892 12.488 1.00 65.10 H new ATOM 0 HE2 LYS A 19 27.438 39.826 11.326 1.00 54.41 H new ATOM 0 HE3 LYS A 19 27.213 40.795 9.884 1.00 54.41 H new ATOM 0 HZ1 LYS A 19 29.299 41.313 10.971 1.00 2.22 H new ATOM 0 HZ2 LYS A 19 28.274 42.666 11.008 1.00 2.22 H new ATOM 0 HZ3 LYS A 19 28.492 41.727 12.406 1.00 2.22 H new ATOM 270 N GLY A 20 21.434 39.607 11.888 1.00 55.00 N ATOM 271 CA GLY A 20 20.820 39.025 13.067 1.00 13.12 C ATOM 272 C GLY A 20 19.322 38.846 12.913 1.00 44.10 C ATOM 273 O GLY A 20 18.537 39.590 13.502 1.00 34.41 O ATOM 0 H GLY A 20 21.701 38.936 11.168 1.00 55.00 H new ATOM 0 HA2 GLY A 20 21.279 38.058 13.272 1.00 13.12 H new ATOM 0 HA3 GLY A 20 21.020 39.662 13.929 1.00 13.12 H new ATOM 277 N LEU A 21 18.925 37.859 12.118 1.00 62.20 N ATOM 278 CA LEU A 21 17.511 37.585 11.886 1.00 21.12 C ATOM 279 C LEU A 21 17.322 36.229 11.215 1.00 61.54 C ATOM 280 O LEU A 21 18.164 35.791 10.431 1.00 42.32 O ATOM 281 CB LEU A 21 16.893 38.685 11.022 1.00 43.33 C ATOM 282 CG LEU A 21 15.560 39.254 11.510 1.00 64.40 C ATOM 283 CD1 LEU A 21 14.485 38.179 11.496 1.00 32.53 C ATOM 284 CD2 LEU A 21 15.711 39.843 12.905 1.00 34.40 C ATOM 0 H LEU A 21 19.562 37.235 11.623 1.00 62.20 H new ATOM 0 HA LEU A 21 17.007 37.565 12.852 1.00 21.12 H new ATOM 0 HB2 LEU A 21 17.608 39.504 10.946 1.00 43.33 H new ATOM 0 HB3 LEU A 21 16.750 38.291 10.016 1.00 43.33 H new ATOM 0 HG LEU A 21 15.256 40.051 10.832 1.00 64.40 H new ATOM 0 HD11 LEU A 21 13.543 38.602 11.846 1.00 32.53 H new ATOM 0 HD12 LEU A 21 14.359 37.804 10.480 1.00 32.53 H new ATOM 0 HD13 LEU A 21 14.781 37.360 12.151 1.00 32.53 H new ATOM 0 HD21 LEU A 21 14.753 40.243 13.237 1.00 34.40 H new ATOM 0 HD22 LEU A 21 16.038 39.065 13.595 1.00 34.40 H new ATOM 0 HD23 LEU A 21 16.451 40.643 12.884 1.00 34.40 H new ATOM 296 N GLN A 22 16.211 35.570 11.526 1.00 33.50 N ATOM 297 CA GLN A 22 15.911 34.264 10.951 1.00 60.50 C ATOM 298 C GLN A 22 14.548 34.270 10.267 1.00 60.23 C ATOM 299 O GLN A 22 13.630 34.966 10.699 1.00 32.51 O ATOM 300 CB GLN A 22 15.946 33.185 12.035 1.00 15.24 C ATOM 301 CG GLN A 22 15.024 33.473 13.209 1.00 11.44 C ATOM 302 CD GLN A 22 15.474 32.790 14.486 1.00 53.41 C ATOM 303 OE1 GLN A 22 14.694 32.100 15.142 1.00 15.15 O ATOM 304 NE2 GLN A 22 16.738 32.979 14.845 1.00 41.32 N ATOM 0 H GLN A 22 15.504 35.919 12.173 1.00 33.50 H new ATOM 0 HA GLN A 22 16.672 34.042 10.203 1.00 60.50 H new ATOM 0 HB2 GLN A 22 15.669 32.228 11.593 1.00 15.24 H new ATOM 0 HB3 GLN A 22 16.967 33.083 12.402 1.00 15.24 H new ATOM 0 HG2 GLN A 22 14.978 34.549 13.374 1.00 11.44 H new ATOM 0 HG3 GLN A 22 14.014 33.145 12.962 1.00 11.44 H new ATOM 0 HE21 GLN A 22 17.350 33.559 14.271 1.00 41.32 H new ATOM 0 HE22 GLN A 22 17.097 32.544 15.695 1.00 41.32 H new ATOM 313 N GLU A 23 14.425 33.491 9.197 1.00 72.43 N ATOM 314 CA GLU A 23 13.174 33.408 8.453 1.00 54.35 C ATOM 315 C GLU A 23 12.640 31.979 8.442 1.00 33.22 C ATOM 316 O GLU A 23 13.291 31.065 7.938 1.00 43.42 O ATOM 317 CB GLU A 23 13.375 33.900 7.017 1.00 33.44 C ATOM 318 CG GLU A 23 12.232 34.759 6.503 1.00 62.25 C ATOM 319 CD GLU A 23 11.105 33.936 5.909 1.00 11.15 C ATOM 320 OE1 GLU A 23 10.230 33.488 6.680 1.00 71.43 O ATOM 321 OE2 GLU A 23 11.097 33.741 4.676 1.00 25.43 O ATOM 0 H GLU A 23 15.176 32.909 8.826 1.00 72.43 H new ATOM 0 HA GLU A 23 12.443 34.046 8.950 1.00 54.35 H new ATOM 0 HB2 GLU A 23 14.301 34.473 6.964 1.00 33.44 H new ATOM 0 HB3 GLU A 23 13.495 33.039 6.360 1.00 33.44 H new ATOM 0 HG2 GLU A 23 11.842 35.365 7.321 1.00 62.25 H new ATOM 0 HG3 GLU A 23 12.611 35.448 5.748 1.00 62.25 H new ATOM 328 N ASN A 24 11.449 31.794 9.004 1.00 64.11 N ATOM 329 CA ASN A 24 10.827 30.476 9.061 1.00 65.01 C ATOM 330 C ASN A 24 10.153 30.135 7.735 1.00 23.25 C ATOM 331 O ASN A 24 9.540 30.992 7.100 1.00 50.43 O ATOM 332 CB ASN A 24 9.803 30.421 10.196 1.00 0.10 C ATOM 333 CG ASN A 24 8.758 29.344 9.980 1.00 31.30 C ATOM 334 OD1 ASN A 24 7.618 29.633 9.615 1.00 64.04 O ATOM 335 ND2 ASN A 24 9.142 28.093 10.206 1.00 64.11 N ATOM 0 H ASN A 24 10.896 32.540 9.426 1.00 64.11 H new ATOM 0 HA ASN A 24 11.609 29.740 9.251 1.00 65.01 H new ATOM 0 HB2 ASN A 24 10.319 30.239 11.139 1.00 0.10 H new ATOM 0 HB3 ASN A 24 9.310 31.389 10.284 1.00 0.10 H new ATOM 0 HD21 ASN A 24 8.482 27.326 10.078 1.00 64.11 H new ATOM 0 HD22 ASN A 24 10.097 27.899 10.507 1.00 64.11 H new ATOM 342 N PHE A 25 10.271 28.876 7.325 1.00 50.52 N ATOM 343 CA PHE A 25 9.673 28.421 6.075 1.00 44.21 C ATOM 344 C PHE A 25 8.926 27.106 6.277 1.00 52.43 C ATOM 345 O PHE A 25 9.282 26.302 7.138 1.00 63.45 O ATOM 346 CB PHE A 25 10.751 28.249 5.003 1.00 64.43 C ATOM 347 CG PHE A 25 10.253 27.578 3.754 1.00 2.43 C ATOM 348 CD1 PHE A 25 10.236 26.197 3.654 1.00 61.44 C ATOM 349 CD2 PHE A 25 9.803 28.330 2.681 1.00 14.22 C ATOM 350 CE1 PHE A 25 9.778 25.577 2.506 1.00 30.43 C ATOM 351 CE2 PHE A 25 9.343 27.716 1.532 1.00 60.13 C ATOM 352 CZ PHE A 25 9.332 26.337 1.444 1.00 51.54 C ATOM 0 H PHE A 25 10.775 28.154 7.840 1.00 50.52 H new ATOM 0 HA PHE A 25 8.960 29.177 5.746 1.00 44.21 H new ATOM 0 HB2 PHE A 25 11.154 29.228 4.744 1.00 64.43 H new ATOM 0 HB3 PHE A 25 11.573 27.665 5.416 1.00 64.43 H new ATOM 0 HD1 PHE A 25 10.584 25.597 4.482 1.00 61.44 H new ATOM 0 HD2 PHE A 25 9.812 29.408 2.743 1.00 14.22 H new ATOM 0 HE1 PHE A 25 9.769 24.499 2.441 1.00 30.43 H new ATOM 0 HE2 PHE A 25 8.992 28.313 0.703 1.00 60.13 H new ATOM 0 HZ PHE A 25 8.975 25.855 0.546 1.00 51.54 H new ATOM 362 N LYS A 26 7.886 26.895 5.477 1.00 50.41 N ATOM 363 CA LYS A 26 7.087 25.679 5.565 1.00 13.11 C ATOM 364 C LYS A 26 7.007 24.981 4.211 1.00 13.21 C ATOM 365 O LYS A 26 6.961 25.633 3.168 1.00 31.13 O ATOM 366 CB LYS A 26 5.678 26.005 6.067 1.00 41.23 C ATOM 367 CG LYS A 26 4.870 24.778 6.451 1.00 72.25 C ATOM 368 CD LYS A 26 5.262 24.259 7.824 1.00 71.02 C ATOM 369 CE LYS A 26 5.917 22.889 7.736 1.00 51.00 C ATOM 370 NZ LYS A 26 5.804 22.137 9.017 1.00 43.34 N ATOM 0 H LYS A 26 7.577 27.551 4.760 1.00 50.41 H new ATOM 0 HA LYS A 26 7.572 25.006 6.273 1.00 13.11 H new ATOM 0 HB2 LYS A 26 5.753 26.665 6.931 1.00 41.23 H new ATOM 0 HB3 LYS A 26 5.143 26.554 5.292 1.00 41.23 H new ATOM 0 HG2 LYS A 26 3.808 25.024 6.444 1.00 72.25 H new ATOM 0 HG3 LYS A 26 5.021 23.995 5.708 1.00 72.25 H new ATOM 0 HD2 LYS A 26 5.948 24.962 8.298 1.00 71.02 H new ATOM 0 HD3 LYS A 26 4.377 24.200 8.458 1.00 71.02 H new ATOM 0 HE2 LYS A 26 5.451 22.315 6.935 1.00 51.00 H new ATOM 0 HE3 LYS A 26 6.969 23.005 7.475 1.00 51.00 H new ATOM 0 HZ1 LYS A 26 6.682 21.607 9.187 1.00 43.34 H new ATOM 0 HZ2 LYS A 26 5.646 22.805 9.799 1.00 43.34 H new ATOM 0 HZ3 LYS A 26 5.005 21.474 8.961 1.00 43.34 H new ATOM 384 N ALA A 27 6.989 23.653 4.236 1.00 71.55 N ATOM 385 CA ALA A 27 6.911 22.867 3.010 1.00 14.02 C ATOM 386 C ALA A 27 5.963 21.684 3.176 1.00 20.11 C ATOM 387 O ALA A 27 6.026 20.959 4.170 1.00 74.24 O ATOM 388 CB ALA A 27 8.295 22.384 2.604 1.00 50.04 C ATOM 0 H ALA A 27 7.027 23.098 5.091 1.00 71.55 H new ATOM 0 HA ALA A 27 6.516 23.507 2.221 1.00 14.02 H new ATOM 0 HB1 ALA A 27 8.222 21.799 1.687 1.00 50.04 H new ATOM 0 HB2 ALA A 27 8.945 23.243 2.435 1.00 50.04 H new ATOM 0 HB3 ALA A 27 8.711 21.764 3.398 1.00 50.04 H new ATOM 394 N THR A 28 5.084 21.494 2.197 1.00 60.40 N ATOM 395 CA THR A 28 4.122 20.400 2.236 1.00 71.45 C ATOM 396 C THR A 28 4.335 19.439 1.071 1.00 31.34 C ATOM 397 O THR A 28 4.354 19.848 -0.089 1.00 2.14 O ATOM 398 CB THR A 28 2.674 20.923 2.196 1.00 51.33 C ATOM 399 OG1 THR A 28 2.651 22.323 2.496 1.00 13.14 O ATOM 400 CG2 THR A 28 1.799 20.172 3.188 1.00 62.21 C ATOM 0 H THR A 28 5.019 22.084 1.367 1.00 60.40 H new ATOM 0 HA THR A 28 4.284 19.871 3.175 1.00 71.45 H new ATOM 0 HB THR A 28 2.280 20.760 1.193 1.00 51.33 H new ATOM 0 HG1 THR A 28 1.727 22.649 2.467 1.00 13.14 H new ATOM 0 HG21 THR A 28 0.781 20.559 3.141 1.00 62.21 H new ATOM 0 HG22 THR A 28 1.795 19.111 2.939 1.00 62.21 H new ATOM 0 HG23 THR A 28 2.193 20.307 4.195 1.00 62.21 H new ATOM 408 N GLY A 29 4.494 18.157 1.389 1.00 41.41 N ATOM 409 CA GLY A 29 4.703 17.158 0.358 1.00 60.04 C ATOM 410 C GLY A 29 3.406 16.530 -0.112 1.00 61.50 C ATOM 411 O GLY A 29 2.498 16.296 0.686 1.00 74.33 O ATOM 0 H GLY A 29 4.482 17.793 2.342 1.00 41.41 H new ATOM 0 HA2 GLY A 29 5.209 17.617 -0.491 1.00 60.04 H new ATOM 0 HA3 GLY A 29 5.363 16.379 0.740 1.00 60.04 H new ATOM 415 N ILE A 30 3.318 16.257 -1.410 1.00 3.05 N ATOM 416 CA ILE A 30 2.123 15.653 -1.983 1.00 75.35 C ATOM 417 C ILE A 30 2.454 14.344 -2.692 1.00 21.31 C ATOM 418 O ILE A 30 3.524 14.200 -3.285 1.00 35.43 O ATOM 419 CB ILE A 30 1.435 16.603 -2.981 1.00 53.30 C ATOM 420 CG1 ILE A 30 1.320 18.008 -2.385 1.00 24.22 C ATOM 421 CG2 ILE A 30 0.061 16.070 -3.360 1.00 64.44 C ATOM 422 CD1 ILE A 30 0.547 18.051 -1.085 1.00 45.42 C ATOM 0 H ILE A 30 4.060 16.445 -2.084 1.00 3.05 H new ATOM 0 HA ILE A 30 1.443 15.454 -1.155 1.00 75.35 H new ATOM 0 HB ILE A 30 2.043 16.659 -3.884 1.00 53.30 H new ATOM 0 HG12 ILE A 30 2.321 18.406 -2.217 1.00 24.22 H new ATOM 0 HG13 ILE A 30 0.835 18.663 -3.109 1.00 24.22 H new ATOM 0 HG21 ILE A 30 -0.412 16.753 -4.066 1.00 64.44 H new ATOM 0 HG22 ILE A 30 0.166 15.088 -3.820 1.00 64.44 H new ATOM 0 HG23 ILE A 30 -0.557 15.987 -2.466 1.00 64.44 H new ATOM 0 HD11 ILE A 30 0.505 19.077 -0.720 1.00 45.42 H new ATOM 0 HD12 ILE A 30 -0.466 17.684 -1.252 1.00 45.42 H new ATOM 0 HD13 ILE A 30 1.044 17.423 -0.345 1.00 45.42 H new ATOM 434 N PHE A 31 1.529 13.392 -2.628 1.00 31.21 N ATOM 435 CA PHE A 31 1.722 12.094 -3.264 1.00 61.11 C ATOM 436 C PHE A 31 0.704 11.879 -4.380 1.00 65.45 C ATOM 437 O PHE A 31 -0.353 12.510 -4.404 1.00 21.44 O ATOM 438 CB PHE A 31 1.606 10.973 -2.229 1.00 72.34 C ATOM 439 CG PHE A 31 2.697 10.993 -1.198 1.00 5.20 C ATOM 440 CD1 PHE A 31 4.013 11.223 -1.567 1.00 21.11 C ATOM 441 CD2 PHE A 31 2.408 10.782 0.141 1.00 40.35 C ATOM 442 CE1 PHE A 31 5.020 11.243 -0.620 1.00 61.22 C ATOM 443 CE2 PHE A 31 3.411 10.801 1.092 1.00 54.54 C ATOM 444 CZ PHE A 31 4.718 11.031 0.711 1.00 63.23 C ATOM 0 H PHE A 31 0.638 13.495 -2.142 1.00 31.21 H new ATOM 0 HA PHE A 31 2.721 12.075 -3.699 1.00 61.11 H new ATOM 0 HB2 PHE A 31 0.642 11.051 -1.727 1.00 72.34 H new ATOM 0 HB3 PHE A 31 1.621 10.012 -2.743 1.00 72.34 H new ATOM 0 HD1 PHE A 31 4.255 11.389 -2.607 1.00 21.11 H new ATOM 0 HD2 PHE A 31 1.388 10.601 0.445 1.00 40.35 H new ATOM 0 HE1 PHE A 31 6.041 11.424 -0.921 1.00 61.22 H new ATOM 0 HE2 PHE A 31 3.172 10.636 2.132 1.00 54.54 H new ATOM 0 HZ PHE A 31 5.503 11.045 1.453 1.00 63.23 H new ATOM 454 N THR A 32 1.032 10.983 -5.307 1.00 34.33 N ATOM 455 CA THR A 32 0.149 10.684 -6.427 1.00 54.41 C ATOM 456 C THR A 32 -1.118 9.979 -5.956 1.00 53.42 C ATOM 457 O THR A 32 -2.087 9.856 -6.706 1.00 42.22 O ATOM 458 CB THR A 32 0.852 9.805 -7.478 1.00 32.42 C ATOM 459 OG1 THR A 32 0.041 9.703 -8.654 1.00 10.22 O ATOM 460 CG2 THR A 32 1.126 8.415 -6.924 1.00 23.34 C ATOM 0 H THR A 32 1.903 10.452 -5.303 1.00 34.33 H new ATOM 0 HA THR A 32 -0.118 11.638 -6.882 1.00 54.41 H new ATOM 0 HB THR A 32 1.803 10.273 -7.733 1.00 32.42 H new ATOM 0 HG1 THR A 32 -0.901 9.830 -8.414 1.00 10.22 H new ATOM 0 HG21 THR A 32 1.623 7.812 -7.684 1.00 23.34 H new ATOM 0 HG22 THR A 32 1.767 8.493 -6.046 1.00 23.34 H new ATOM 0 HG23 THR A 32 0.184 7.943 -6.645 1.00 23.34 H new ATOM 468 N ASP A 33 -1.105 9.519 -4.710 1.00 70.03 N ATOM 469 CA ASP A 33 -2.255 8.827 -4.138 1.00 45.34 C ATOM 470 C ASP A 33 -3.193 9.812 -3.449 1.00 13.24 C ATOM 471 O ASP A 33 -4.010 9.425 -2.614 1.00 10.31 O ATOM 472 CB ASP A 33 -1.792 7.762 -3.143 1.00 74.34 C ATOM 473 CG ASP A 33 -2.904 6.803 -2.764 1.00 62.11 C ATOM 474 OD1 ASP A 33 -3.450 6.140 -3.670 1.00 41.04 O ATOM 475 OD2 ASP A 33 -3.228 6.716 -1.561 1.00 70.00 O ATOM 0 H ASP A 33 -0.311 9.613 -4.076 1.00 70.03 H new ATOM 0 HA ASP A 33 -2.798 8.343 -4.949 1.00 45.34 H new ATOM 0 HB2 ASP A 33 -0.963 7.201 -3.575 1.00 74.34 H new ATOM 0 HB3 ASP A 33 -1.413 8.249 -2.244 1.00 74.34 H new ATOM 480 N ASN A 34 -3.070 11.087 -3.803 1.00 4.10 N ATOM 481 CA ASN A 34 -3.906 12.128 -3.217 1.00 10.14 C ATOM 482 C ASN A 34 -3.650 12.251 -1.718 1.00 12.34 C ATOM 483 O ASN A 34 -4.440 12.853 -0.990 1.00 71.00 O ATOM 484 CB ASN A 34 -5.384 11.826 -3.470 1.00 14.31 C ATOM 485 CG ASN A 34 -5.615 11.145 -4.805 1.00 50.10 C ATOM 486 OD1 ASN A 34 -5.228 11.662 -5.853 1.00 53.22 O ATOM 487 ND2 ASN A 34 -6.248 9.978 -4.772 1.00 54.42 N ATOM 0 H ASN A 34 -2.399 11.424 -4.493 1.00 4.10 H new ATOM 0 HA ASN A 34 -3.649 13.076 -3.691 1.00 10.14 H new ATOM 0 HB2 ASN A 34 -5.764 11.190 -2.670 1.00 14.31 H new ATOM 0 HB3 ASN A 34 -5.953 12.755 -3.436 1.00 14.31 H new ATOM 0 HD21 ASN A 34 -6.431 9.473 -5.639 1.00 54.42 H new ATOM 0 HD22 ASN A 34 -6.551 9.587 -3.880 1.00 54.42 H new ATOM 494 N SER A 35 -2.541 11.678 -1.263 1.00 24.20 N ATOM 495 CA SER A 35 -2.182 11.720 0.150 1.00 43.43 C ATOM 496 C SER A 35 -1.051 12.716 0.393 1.00 35.12 C ATOM 497 O SER A 35 0.081 12.504 -0.039 1.00 33.12 O ATOM 498 CB SER A 35 -1.765 10.330 0.634 1.00 12.20 C ATOM 499 OG SER A 35 -2.897 9.504 0.845 1.00 23.41 O ATOM 0 H SER A 35 -1.875 11.179 -1.852 1.00 24.20 H new ATOM 0 HA SER A 35 -3.057 12.045 0.713 1.00 43.43 H new ATOM 0 HB2 SER A 35 -1.105 9.868 -0.101 1.00 12.20 H new ATOM 0 HB3 SER A 35 -1.198 10.419 1.560 1.00 12.20 H new ATOM 0 HG SER A 35 -2.605 8.621 1.152 1.00 23.41 H new ATOM 505 N ASN A 36 -1.369 13.803 1.089 1.00 43.23 N ATOM 506 CA ASN A 36 -0.381 14.833 1.390 1.00 21.00 C ATOM 507 C ASN A 36 0.282 14.573 2.739 1.00 32.24 C ATOM 508 O ASN A 36 -0.370 14.137 3.689 1.00 45.32 O ATOM 509 CB ASN A 36 -1.038 16.215 1.390 1.00 62.21 C ATOM 510 CG ASN A 36 -2.148 16.327 0.363 1.00 42.13 C ATOM 511 OD1 ASN A 36 -3.242 16.803 0.665 1.00 53.03 O ATOM 512 ND2 ASN A 36 -1.870 15.888 -0.859 1.00 63.22 N ATOM 0 H ASN A 36 -2.302 13.993 1.455 1.00 43.23 H new ATOM 0 HA ASN A 36 0.386 14.803 0.616 1.00 21.00 H new ATOM 0 HB2 ASN A 36 -1.441 16.423 2.381 1.00 62.21 H new ATOM 0 HB3 ASN A 36 -0.282 16.974 1.188 1.00 62.21 H new ATOM 0 HD21 ASN A 36 -2.577 15.938 -1.592 1.00 63.22 H new ATOM 0 HD22 ASN A 36 -0.949 15.501 -1.065 1.00 63.22 H new ATOM 519 N SER A 37 1.581 14.843 2.816 1.00 11.45 N ATOM 520 CA SER A 37 2.333 14.636 4.048 1.00 22.23 C ATOM 521 C SER A 37 3.237 15.830 4.341 1.00 74.12 C ATOM 522 O SER A 37 3.805 16.431 3.429 1.00 60.52 O ATOM 523 CB SER A 37 3.171 13.360 3.950 1.00 23.30 C ATOM 524 OG SER A 37 2.377 12.258 3.545 1.00 23.12 O ATOM 0 H SER A 37 2.135 15.206 2.040 1.00 11.45 H new ATOM 0 HA SER A 37 1.620 14.533 4.866 1.00 22.23 H new ATOM 0 HB2 SER A 37 3.983 13.508 3.238 1.00 23.30 H new ATOM 0 HB3 SER A 37 3.629 13.147 4.916 1.00 23.30 H new ATOM 0 HG SER A 37 2.546 12.063 2.600 1.00 23.12 H new ATOM 530 N ASP A 38 3.364 16.168 5.619 1.00 12.12 N ATOM 531 CA ASP A 38 4.199 17.290 6.034 1.00 74.40 C ATOM 532 C ASP A 38 5.632 16.835 6.288 1.00 64.10 C ATOM 533 O ASP A 38 5.873 15.918 7.073 1.00 30.44 O ATOM 534 CB ASP A 38 3.626 17.940 7.294 1.00 10.50 C ATOM 535 CG ASP A 38 3.352 16.933 8.393 1.00 71.41 C ATOM 536 OD1 ASP A 38 4.317 16.508 9.063 1.00 34.11 O ATOM 537 OD2 ASP A 38 2.173 16.569 8.583 1.00 14.23 O ATOM 0 H ASP A 38 2.900 15.682 6.386 1.00 12.12 H new ATOM 0 HA ASP A 38 4.207 18.024 5.228 1.00 74.40 H new ATOM 0 HB2 ASP A 38 4.324 18.692 7.661 1.00 10.50 H new ATOM 0 HB3 ASP A 38 2.701 18.459 7.043 1.00 10.50 H new ATOM 542 N ILE A 39 6.580 17.482 5.618 1.00 62.31 N ATOM 543 CA ILE A 39 7.990 17.144 5.771 1.00 33.54 C ATOM 544 C ILE A 39 8.172 15.653 6.036 1.00 33.11 C ATOM 545 O ILE A 39 8.897 15.256 6.949 1.00 41.50 O ATOM 546 CB ILE A 39 8.638 17.940 6.919 1.00 10.20 C ATOM 547 CG1 ILE A 39 7.947 17.618 8.246 1.00 45.50 C ATOM 548 CG2 ILE A 39 8.574 19.432 6.630 1.00 14.53 C ATOM 549 CD1 ILE A 39 6.770 18.519 8.548 1.00 21.23 C ATOM 0 H ILE A 39 6.397 18.243 4.964 1.00 62.31 H new ATOM 0 HA ILE A 39 8.481 17.407 4.834 1.00 33.54 H new ATOM 0 HB ILE A 39 9.686 17.649 6.997 1.00 10.20 H new ATOM 0 HG12 ILE A 39 7.606 16.583 8.227 1.00 45.50 H new ATOM 0 HG13 ILE A 39 8.674 17.700 9.054 1.00 45.50 H new ATOM 0 HG21 ILE A 39 9.036 19.982 7.450 1.00 14.53 H new ATOM 0 HG22 ILE A 39 9.107 19.646 5.704 1.00 14.53 H new ATOM 0 HG23 ILE A 39 7.533 19.739 6.529 1.00 14.53 H new ATOM 0 HD11 ILE A 39 6.329 18.234 9.503 1.00 21.23 H new ATOM 0 HD12 ILE A 39 7.108 19.554 8.599 1.00 21.23 H new ATOM 0 HD13 ILE A 39 6.024 18.420 7.760 1.00 21.23 H new ATOM 561 N THR A 40 7.509 14.829 5.230 1.00 63.11 N ATOM 562 CA THR A 40 7.598 13.382 5.376 1.00 61.42 C ATOM 563 C THR A 40 9.000 12.881 5.047 1.00 32.33 C ATOM 564 O THR A 40 9.508 11.962 5.690 1.00 33.05 O ATOM 565 CB THR A 40 6.582 12.662 4.468 1.00 4.14 C ATOM 566 OG1 THR A 40 6.703 11.244 4.626 1.00 65.05 O ATOM 567 CG2 THR A 40 6.800 13.036 3.010 1.00 53.21 C ATOM 0 H THR A 40 6.905 15.140 4.469 1.00 63.11 H new ATOM 0 HA THR A 40 7.369 13.155 6.417 1.00 61.42 H new ATOM 0 HB THR A 40 5.580 12.975 4.761 1.00 4.14 H new ATOM 0 HG1 THR A 40 6.053 10.794 4.047 1.00 65.05 H new ATOM 0 HG21 THR A 40 6.071 12.516 2.388 1.00 53.21 H new ATOM 0 HG22 THR A 40 6.678 14.112 2.888 1.00 53.21 H new ATOM 0 HG23 THR A 40 7.807 12.748 2.707 1.00 53.21 H new ATOM 575 N ASP A 41 9.621 13.490 4.043 1.00 15.34 N ATOM 576 CA ASP A 41 10.966 13.107 3.631 1.00 54.15 C ATOM 577 C ASP A 41 12.016 13.939 4.360 1.00 33.02 C ATOM 578 O ASP A 41 13.207 13.850 4.063 1.00 13.15 O ATOM 579 CB ASP A 41 11.125 13.274 2.119 1.00 61.04 C ATOM 580 CG ASP A 41 11.672 12.026 1.453 1.00 54.41 C ATOM 581 OD1 ASP A 41 12.910 11.884 1.387 1.00 23.42 O ATOM 582 OD2 ASP A 41 10.861 11.193 0.997 1.00 53.13 O ATOM 0 H ASP A 41 9.214 14.251 3.499 1.00 15.34 H new ATOM 0 HA ASP A 41 11.115 12.059 3.891 1.00 54.15 H new ATOM 0 HB2 ASP A 41 10.159 13.523 1.680 1.00 61.04 H new ATOM 0 HB3 ASP A 41 11.792 14.112 1.917 1.00 61.04 H new ATOM 587 N GLN A 42 11.565 14.747 5.314 1.00 11.12 N ATOM 588 CA GLN A 42 12.466 15.596 6.084 1.00 1.05 C ATOM 589 C GLN A 42 13.186 16.589 5.178 1.00 10.21 C ATOM 590 O GLN A 42 14.370 16.430 4.882 1.00 61.43 O ATOM 591 CB GLN A 42 13.487 14.741 6.837 1.00 4.20 C ATOM 592 CG GLN A 42 13.104 14.467 8.282 1.00 31.41 C ATOM 593 CD GLN A 42 11.620 14.208 8.453 1.00 31.11 C ATOM 594 OE1 GLN A 42 11.143 13.093 8.237 1.00 5.14 O ATOM 595 NE2 GLN A 42 10.880 15.239 8.843 1.00 50.31 N ATOM 0 H GLN A 42 10.582 14.832 5.572 1.00 11.12 H new ATOM 0 HA GLN A 42 11.870 16.156 6.804 1.00 1.05 H new ATOM 0 HB2 GLN A 42 13.608 13.791 6.316 1.00 4.20 H new ATOM 0 HB3 GLN A 42 14.455 15.242 6.815 1.00 4.20 H new ATOM 0 HG2 GLN A 42 13.664 13.605 8.645 1.00 31.41 H new ATOM 0 HG3 GLN A 42 13.394 15.318 8.898 1.00 31.41 H new ATOM 0 HE21 GLN A 42 11.316 16.146 9.011 1.00 50.31 H new ATOM 0 HE22 GLN A 42 9.875 15.125 8.975 1.00 50.31 H new ATOM 604 N VAL A 43 12.463 17.615 4.740 1.00 32.02 N ATOM 605 CA VAL A 43 13.033 18.635 3.868 1.00 74.11 C ATOM 606 C VAL A 43 14.305 19.222 4.467 1.00 5.02 C ATOM 607 O VAL A 43 14.276 19.844 5.530 1.00 51.23 O ATOM 608 CB VAL A 43 12.029 19.774 3.606 1.00 61.43 C ATOM 609 CG1 VAL A 43 11.557 20.382 4.917 1.00 0.14 C ATOM 610 CG2 VAL A 43 12.650 20.834 2.709 1.00 12.32 C ATOM 0 H VAL A 43 11.481 17.762 4.975 1.00 32.02 H new ATOM 0 HA VAL A 43 13.272 18.146 2.923 1.00 74.11 H new ATOM 0 HB VAL A 43 11.161 19.360 3.093 1.00 61.43 H new ATOM 0 HG11 VAL A 43 10.849 21.185 4.712 1.00 0.14 H new ATOM 0 HG12 VAL A 43 11.071 19.615 5.520 1.00 0.14 H new ATOM 0 HG13 VAL A 43 12.412 20.783 5.461 1.00 0.14 H new ATOM 0 HG21 VAL A 43 11.928 21.631 2.534 1.00 12.32 H new ATOM 0 HG22 VAL A 43 13.536 21.247 3.193 1.00 12.32 H new ATOM 0 HG23 VAL A 43 12.933 20.385 1.757 1.00 12.32 H new ATOM 620 N THR A 44 15.425 19.021 3.779 1.00 72.23 N ATOM 621 CA THR A 44 16.709 19.529 4.243 1.00 44.44 C ATOM 622 C THR A 44 17.041 20.865 3.587 1.00 64.23 C ATOM 623 O THR A 44 17.030 20.985 2.362 1.00 70.14 O ATOM 624 CB THR A 44 17.846 18.531 3.953 1.00 4.41 C ATOM 625 OG1 THR A 44 19.080 19.027 4.485 1.00 63.32 O ATOM 626 CG2 THR A 44 17.991 18.295 2.457 1.00 4.33 C ATOM 0 H THR A 44 15.468 18.509 2.898 1.00 72.23 H new ATOM 0 HA THR A 44 16.623 19.668 5.321 1.00 44.44 H new ATOM 0 HB THR A 44 17.599 17.583 4.431 1.00 4.41 H new ATOM 0 HG1 THR A 44 19.798 18.386 4.298 1.00 63.32 H new ATOM 0 HG21 THR A 44 18.800 17.587 2.277 1.00 4.33 H new ATOM 0 HG22 THR A 44 17.060 17.890 2.061 1.00 4.33 H new ATOM 0 HG23 THR A 44 18.217 19.238 1.960 1.00 4.33 H new ATOM 634 N TRP A 45 17.337 21.865 4.409 1.00 63.21 N ATOM 635 CA TRP A 45 17.674 23.192 3.907 1.00 15.43 C ATOM 636 C TRP A 45 19.185 23.387 3.853 1.00 53.12 C ATOM 637 O TRP A 45 19.933 22.713 4.562 1.00 54.34 O ATOM 638 CB TRP A 45 17.040 24.269 4.790 1.00 53.13 C ATOM 639 CG TRP A 45 15.558 24.110 4.950 1.00 60.44 C ATOM 640 CD1 TRP A 45 14.764 23.177 4.345 1.00 1.03 C ATOM 641 CD2 TRP A 45 14.693 24.907 5.766 1.00 44.11 C ATOM 642 NE1 TRP A 45 13.458 23.347 4.737 1.00 70.23 N ATOM 643 CE2 TRP A 45 13.388 24.401 5.609 1.00 63.04 C ATOM 644 CE3 TRP A 45 14.895 25.998 6.616 1.00 72.12 C ATOM 645 CZ2 TRP A 45 12.293 24.950 6.269 1.00 14.31 C ATOM 646 CZ3 TRP A 45 13.806 26.542 7.270 1.00 3.23 C ATOM 647 CH2 TRP A 45 12.519 26.018 7.095 1.00 72.21 C ATOM 0 H TRP A 45 17.351 21.782 5.426 1.00 63.21 H new ATOM 0 HA TRP A 45 17.279 23.281 2.895 1.00 15.43 H new ATOM 0 HB2 TRP A 45 17.509 24.245 5.774 1.00 53.13 H new ATOM 0 HB3 TRP A 45 17.249 25.249 4.361 1.00 53.13 H new ATOM 0 HD1 TRP A 45 15.112 22.418 3.660 1.00 1.03 H new ATOM 0 HE1 TRP A 45 12.668 22.780 4.428 1.00 70.23 H new ATOM 0 HE3 TRP A 45 15.884 26.408 6.759 1.00 72.12 H new ATOM 0 HZ2 TRP A 45 11.300 24.548 6.134 1.00 14.31 H new ATOM 0 HZ3 TRP A 45 13.950 27.386 7.928 1.00 3.23 H new ATOM 0 HH2 TRP A 45 11.689 26.465 7.622 1.00 72.21 H new ATOM 658 N ASP A 46 19.628 24.312 3.008 1.00 34.21 N ATOM 659 CA ASP A 46 21.051 24.596 2.863 1.00 74.24 C ATOM 660 C ASP A 46 21.279 26.061 2.506 1.00 14.41 C ATOM 661 O ASP A 46 20.488 26.664 1.780 1.00 0.23 O ATOM 662 CB ASP A 46 21.665 23.696 1.790 1.00 71.55 C ATOM 663 CG ASP A 46 23.177 23.795 1.747 1.00 61.41 C ATOM 664 OD1 ASP A 46 23.773 24.207 2.764 1.00 61.23 O ATOM 665 OD2 ASP A 46 23.765 23.461 0.696 1.00 34.35 O ATOM 0 H ASP A 46 19.022 24.878 2.413 1.00 34.21 H new ATOM 0 HA ASP A 46 21.536 24.394 3.818 1.00 74.24 H new ATOM 0 HB2 ASP A 46 21.377 22.662 1.979 1.00 71.55 H new ATOM 0 HB3 ASP A 46 21.258 23.967 0.816 1.00 71.55 H new ATOM 670 N SER A 47 22.364 26.629 3.023 1.00 70.14 N ATOM 671 CA SER A 47 22.694 28.025 2.763 1.00 55.41 C ATOM 672 C SER A 47 23.966 28.137 1.928 1.00 11.25 C ATOM 673 O SER A 47 24.921 27.387 2.129 1.00 72.31 O ATOM 674 CB SER A 47 22.866 28.784 4.080 1.00 14.31 C ATOM 675 OG SER A 47 22.428 30.126 3.956 1.00 13.34 O ATOM 0 H SER A 47 23.029 26.143 3.625 1.00 70.14 H new ATOM 0 HA SER A 47 21.872 28.468 2.201 1.00 55.41 H new ATOM 0 HB2 SER A 47 22.301 28.285 4.867 1.00 14.31 H new ATOM 0 HB3 SER A 47 23.914 28.766 4.379 1.00 14.31 H new ATOM 0 HG SER A 47 22.943 30.575 3.253 1.00 13.34 H new ATOM 681 N SER A 48 23.971 29.080 0.992 1.00 54.15 N ATOM 682 CA SER A 48 25.123 29.289 0.123 1.00 23.11 C ATOM 683 C SER A 48 26.341 29.726 0.932 1.00 53.40 C ATOM 684 O SER A 48 27.472 29.667 0.452 1.00 30.14 O ATOM 685 CB SER A 48 24.802 30.338 -0.943 1.00 74.33 C ATOM 686 OG SER A 48 25.918 30.567 -1.786 1.00 13.22 O ATOM 0 H SER A 48 23.190 29.712 0.816 1.00 54.15 H new ATOM 0 HA SER A 48 25.353 28.343 -0.367 1.00 23.11 H new ATOM 0 HB2 SER A 48 23.953 30.006 -1.541 1.00 74.33 H new ATOM 0 HB3 SER A 48 24.508 31.271 -0.462 1.00 74.33 H new ATOM 0 HG SER A 48 25.687 31.240 -2.460 1.00 13.22 H new ATOM 692 N ASN A 49 26.099 30.166 2.163 1.00 53.24 N ATOM 693 CA ASN A 49 27.174 30.615 3.039 1.00 24.33 C ATOM 694 C ASN A 49 27.851 31.861 2.477 1.00 55.43 C ATOM 695 O ASN A 49 27.808 32.115 1.272 1.00 23.13 O ATOM 696 CB ASN A 49 28.207 29.501 3.225 1.00 33.13 C ATOM 697 CG ASN A 49 29.089 29.727 4.437 1.00 5.45 C ATOM 698 OD1 ASN A 49 29.988 30.569 4.416 1.00 31.25 O ATOM 699 ND2 ASN A 49 28.837 28.975 5.502 1.00 32.11 N ATOM 0 H ASN A 49 25.168 30.221 2.576 1.00 53.24 H new ATOM 0 HA ASN A 49 26.739 30.865 4.007 1.00 24.33 H new ATOM 0 HB2 ASN A 49 27.692 28.545 3.327 1.00 33.13 H new ATOM 0 HB3 ASN A 49 28.830 29.434 2.333 1.00 33.13 H new ATOM 0 HD21 ASN A 49 29.398 29.083 6.347 1.00 32.11 H new ATOM 0 HD22 ASN A 49 28.082 28.290 5.475 1.00 32.11 H new ATOM 706 N THR A 50 28.475 32.638 3.357 1.00 21.40 N ATOM 707 CA THR A 50 29.160 33.858 2.949 1.00 20.25 C ATOM 708 C THR A 50 30.090 34.359 4.048 1.00 3.20 C ATOM 709 O THR A 50 31.275 34.596 3.811 1.00 11.50 O ATOM 710 CB THR A 50 28.158 34.972 2.593 1.00 60.03 C ATOM 711 OG1 THR A 50 26.821 34.529 2.849 1.00 32.22 O ATOM 712 CG2 THR A 50 28.293 35.374 1.132 1.00 61.23 C ATOM 0 H THR A 50 28.520 32.444 4.357 1.00 21.40 H new ATOM 0 HA THR A 50 29.747 33.611 2.064 1.00 20.25 H new ATOM 0 HB THR A 50 28.378 35.840 3.215 1.00 60.03 H new ATOM 0 HG1 THR A 50 26.234 34.824 2.122 1.00 32.22 H new ATOM 0 HG21 THR A 50 27.575 36.162 0.904 1.00 61.23 H new ATOM 0 HG22 THR A 50 29.303 35.739 0.947 1.00 61.23 H new ATOM 0 HG23 THR A 50 28.097 34.510 0.497 1.00 61.23 H new ATOM 720 N ASP A 51 29.547 34.518 5.250 1.00 62.11 N ATOM 721 CA ASP A 51 30.330 34.990 6.386 1.00 32.23 C ATOM 722 C ASP A 51 30.008 34.183 7.640 1.00 23.42 C ATOM 723 O ASP A 51 30.909 33.765 8.369 1.00 74.20 O ATOM 724 CB ASP A 51 30.060 36.474 6.637 1.00 2.23 C ATOM 725 CG ASP A 51 31.305 37.223 7.071 1.00 13.44 C ATOM 726 OD1 ASP A 51 31.598 37.234 8.285 1.00 24.44 O ATOM 727 OD2 ASP A 51 31.986 37.799 6.197 1.00 35.30 O ATOM 0 H ASP A 51 28.568 34.327 5.463 1.00 62.11 H new ATOM 0 HA ASP A 51 31.386 34.855 6.150 1.00 32.23 H new ATOM 0 HB2 ASP A 51 29.665 36.927 5.728 1.00 2.23 H new ATOM 0 HB3 ASP A 51 29.292 36.576 7.404 1.00 2.23 H new ATOM 732 N ILE A 52 28.720 33.968 7.885 1.00 1.14 N ATOM 733 CA ILE A 52 28.281 33.211 9.051 1.00 55.21 C ATOM 734 C ILE A 52 26.761 33.090 9.086 1.00 31.34 C ATOM 735 O ILE A 52 26.051 34.084 9.241 1.00 51.31 O ATOM 736 CB ILE A 52 28.763 33.863 10.360 1.00 11.22 C ATOM 737 CG1 ILE A 52 28.176 33.129 11.568 1.00 60.15 C ATOM 738 CG2 ILE A 52 28.380 35.335 10.391 1.00 11.23 C ATOM 739 CD1 ILE A 52 28.803 33.533 12.884 1.00 72.24 C ATOM 0 H ILE A 52 27.962 34.307 7.292 1.00 1.14 H new ATOM 0 HA ILE A 52 28.721 32.217 8.967 1.00 55.21 H new ATOM 0 HB ILE A 52 29.849 33.789 10.406 1.00 11.22 H new ATOM 0 HG12 ILE A 52 27.104 33.319 11.612 1.00 60.15 H new ATOM 0 HG13 ILE A 52 28.304 32.056 11.428 1.00 60.15 H new ATOM 0 HG21 ILE A 52 28.728 35.782 11.322 1.00 11.23 H new ATOM 0 HG22 ILE A 52 28.841 35.849 9.548 1.00 11.23 H new ATOM 0 HG23 ILE A 52 27.296 35.430 10.325 1.00 11.23 H new ATOM 0 HD11 ILE A 52 28.338 32.973 13.696 1.00 72.24 H new ATOM 0 HD12 ILE A 52 29.871 33.317 12.859 1.00 72.24 H new ATOM 0 HD13 ILE A 52 28.652 34.600 13.047 1.00 72.24 H new ATOM 751 N LEU A 53 26.268 31.865 8.944 1.00 35.51 N ATOM 752 CA LEU A 53 24.831 31.611 8.962 1.00 50.43 C ATOM 753 C LEU A 53 24.531 30.211 9.488 1.00 41.43 C ATOM 754 O LEU A 53 25.331 29.290 9.321 1.00 54.32 O ATOM 755 CB LEU A 53 24.247 31.777 7.558 1.00 53.12 C ATOM 756 CG LEU A 53 25.121 31.283 6.404 1.00 11.54 C ATOM 757 CD1 LEU A 53 25.240 29.768 6.436 1.00 22.30 C ATOM 758 CD2 LEU A 53 24.556 31.748 5.070 1.00 13.11 C ATOM 0 H LEU A 53 26.842 31.032 8.815 1.00 35.51 H new ATOM 0 HA LEU A 53 24.367 32.336 9.630 1.00 50.43 H new ATOM 0 HB2 LEU A 53 23.294 31.249 7.518 1.00 53.12 H new ATOM 0 HB3 LEU A 53 24.032 32.834 7.398 1.00 53.12 H new ATOM 0 HG LEU A 53 26.118 31.708 6.521 1.00 11.54 H new ATOM 0 HD11 LEU A 53 25.865 29.435 5.608 1.00 22.30 H new ATOM 0 HD12 LEU A 53 25.691 29.458 7.379 1.00 22.30 H new ATOM 0 HD13 LEU A 53 24.249 29.323 6.344 1.00 22.30 H new ATOM 0 HD21 LEU A 53 25.191 31.387 4.261 1.00 13.11 H new ATOM 0 HD22 LEU A 53 23.548 31.353 4.944 1.00 13.11 H new ATOM 0 HD23 LEU A 53 24.524 32.837 5.048 1.00 13.11 H new ATOM 770 N SER A 54 23.373 30.058 10.122 1.00 50.42 N ATOM 771 CA SER A 54 22.968 28.771 10.674 1.00 72.14 C ATOM 772 C SER A 54 21.514 28.465 10.327 1.00 32.24 C ATOM 773 O SER A 54 20.625 29.288 10.548 1.00 3.24 O ATOM 774 CB SER A 54 23.155 28.761 12.192 1.00 44.21 C ATOM 775 OG SER A 54 24.454 28.315 12.543 1.00 50.35 O ATOM 0 H SER A 54 22.699 30.810 10.266 1.00 50.42 H new ATOM 0 HA SER A 54 23.599 28.000 10.233 1.00 72.14 H new ATOM 0 HB2 SER A 54 22.992 29.763 12.588 1.00 44.21 H new ATOM 0 HB3 SER A 54 22.408 28.112 12.649 1.00 44.21 H new ATOM 0 HG SER A 54 24.549 28.319 13.518 1.00 50.35 H new ATOM 781 N ILE A 55 21.280 27.275 9.783 1.00 14.35 N ATOM 782 CA ILE A 55 19.934 26.859 9.408 1.00 42.45 C ATOM 783 C ILE A 55 19.535 25.575 10.126 1.00 61.23 C ATOM 784 O ILE A 55 20.253 24.576 10.078 1.00 1.12 O ATOM 785 CB ILE A 55 19.816 26.642 7.887 1.00 2.23 C ATOM 786 CG1 ILE A 55 20.594 27.723 7.134 1.00 65.21 C ATOM 787 CG2 ILE A 55 18.355 26.642 7.464 1.00 31.02 C ATOM 788 CD1 ILE A 55 20.104 29.126 7.413 1.00 3.33 C ATOM 0 H ILE A 55 22.004 26.583 9.592 1.00 14.35 H new ATOM 0 HA ILE A 55 19.260 27.663 9.706 1.00 42.45 H new ATOM 0 HB ILE A 55 20.246 25.672 7.639 1.00 2.23 H new ATOM 0 HG12 ILE A 55 21.648 27.655 7.404 1.00 65.21 H new ATOM 0 HG13 ILE A 55 20.526 27.529 6.064 1.00 65.21 H new ATOM 0 HG21 ILE A 55 18.288 26.488 6.387 1.00 31.02 H new ATOM 0 HG22 ILE A 55 17.827 25.839 7.979 1.00 31.02 H new ATOM 0 HG23 ILE A 55 17.901 27.599 7.722 1.00 31.02 H new ATOM 0 HD11 ILE A 55 20.701 29.840 6.846 1.00 3.33 H new ATOM 0 HD12 ILE A 55 19.058 29.212 7.117 1.00 3.33 H new ATOM 0 HD13 ILE A 55 20.198 29.339 8.478 1.00 3.33 H new ATOM 800 N SER A 56 18.384 25.608 10.789 1.00 31.45 N ATOM 801 CA SER A 56 17.889 24.446 11.520 1.00 43.33 C ATOM 802 C SER A 56 16.481 24.077 11.064 1.00 40.15 C ATOM 803 O SER A 56 15.585 24.920 11.036 1.00 61.34 O ATOM 804 CB SER A 56 17.894 24.724 13.024 1.00 30.43 C ATOM 805 OG SER A 56 18.653 23.750 13.720 1.00 71.20 O ATOM 0 H SER A 56 17.776 26.426 10.836 1.00 31.45 H new ATOM 0 HA SER A 56 18.551 23.606 11.311 1.00 43.33 H new ATOM 0 HB2 SER A 56 18.307 25.715 13.213 1.00 30.43 H new ATOM 0 HB3 SER A 56 16.871 24.729 13.400 1.00 30.43 H new ATOM 0 HG SER A 56 18.642 23.951 14.679 1.00 71.20 H new ATOM 811 N ASN A 57 16.295 22.811 10.706 1.00 35.55 N ATOM 812 CA ASN A 57 14.996 22.328 10.251 1.00 51.24 C ATOM 813 C ASN A 57 14.816 20.850 10.585 1.00 45.53 C ATOM 814 O ASN A 57 14.018 20.155 9.959 1.00 75.33 O ATOM 815 CB ASN A 57 14.849 22.543 8.743 1.00 44.22 C ATOM 816 CG ASN A 57 16.179 22.814 8.066 1.00 51.05 C ATOM 817 OD1 ASN A 57 16.783 21.917 7.478 1.00 23.52 O ATOM 818 ND2 ASN A 57 16.641 24.056 8.145 1.00 51.50 N ATOM 0 H ASN A 57 17.027 22.101 10.722 1.00 35.55 H new ATOM 0 HA ASN A 57 14.224 22.895 10.770 1.00 51.24 H new ATOM 0 HB2 ASN A 57 14.390 21.661 8.296 1.00 44.22 H new ATOM 0 HB3 ASN A 57 14.175 23.380 8.562 1.00 44.22 H new ATOM 0 HD21 ASN A 57 17.530 24.298 7.708 1.00 51.50 H new ATOM 0 HD22 ASN A 57 16.107 24.768 8.643 1.00 51.50 H new ATOM 825 N ALA A 58 15.565 20.378 11.576 1.00 3.50 N ATOM 826 CA ALA A 58 15.487 18.985 11.995 1.00 22.34 C ATOM 827 C ALA A 58 15.446 18.870 13.515 1.00 0.25 C ATOM 828 O ALA A 58 15.515 17.772 14.067 1.00 63.11 O ATOM 829 CB ALA A 58 16.664 18.199 11.437 1.00 62.22 C ATOM 0 H ALA A 58 16.233 20.940 12.103 1.00 3.50 H new ATOM 0 HA ALA A 58 14.563 18.564 11.599 1.00 22.34 H new ATOM 0 HB1 ALA A 58 16.593 17.160 11.758 1.00 62.22 H new ATOM 0 HB2 ALA A 58 16.648 18.244 10.348 1.00 62.22 H new ATOM 0 HB3 ALA A 58 17.596 18.629 11.804 1.00 62.22 H new ATOM 835 N SER A 59 15.333 20.012 14.187 1.00 25.44 N ATOM 836 CA SER A 59 15.288 20.039 15.645 1.00 53.44 C ATOM 837 C SER A 59 14.055 19.305 16.164 1.00 63.25 C ATOM 838 O SER A 59 14.018 18.868 17.314 1.00 60.21 O ATOM 839 CB SER A 59 15.284 21.484 16.148 1.00 22.14 C ATOM 840 OG SER A 59 16.543 21.836 16.697 1.00 75.12 O ATOM 0 H SER A 59 15.271 20.930 13.746 1.00 25.44 H new ATOM 0 HA SER A 59 16.176 19.532 16.022 1.00 53.44 H new ATOM 0 HB2 SER A 59 15.041 22.158 15.326 1.00 22.14 H new ATOM 0 HB3 SER A 59 14.507 21.608 16.903 1.00 22.14 H new ATOM 0 HG SER A 59 16.515 22.764 17.010 1.00 75.12 H new ATOM 846 N ASP A 60 13.049 19.173 15.307 1.00 54.22 N ATOM 847 CA ASP A 60 11.814 18.491 15.677 1.00 70.13 C ATOM 848 C ASP A 60 10.824 18.492 14.516 1.00 12.12 C ATOM 849 O ASP A 60 10.062 17.542 14.337 1.00 53.34 O ATOM 850 CB ASP A 60 11.185 19.158 16.901 1.00 72.21 C ATOM 851 CG ASP A 60 11.026 18.199 18.065 1.00 44.41 C ATOM 852 OD1 ASP A 60 10.453 17.109 17.862 1.00 74.41 O ATOM 853 OD2 ASP A 60 11.477 18.540 19.179 1.00 72.34 O ATOM 0 H ASP A 60 13.064 19.529 14.351 1.00 54.22 H new ATOM 0 HA ASP A 60 12.058 17.457 15.922 1.00 70.13 H new ATOM 0 HB2 ASP A 60 11.804 20.001 17.210 1.00 72.21 H new ATOM 0 HB3 ASP A 60 10.209 19.561 16.630 1.00 72.21 H new ATOM 858 N SER A 61 10.840 19.565 13.732 1.00 2.20 N ATOM 859 CA SER A 61 9.940 19.692 12.592 1.00 44.34 C ATOM 860 C SER A 61 10.108 21.050 11.916 1.00 21.01 C ATOM 861 O SER A 61 10.712 21.155 10.848 1.00 25.32 O ATOM 862 CB SER A 61 8.489 19.508 13.037 1.00 34.35 C ATOM 863 OG SER A 61 8.239 20.188 14.255 1.00 14.11 O ATOM 0 H SER A 61 11.466 20.359 13.865 1.00 2.20 H new ATOM 0 HA SER A 61 10.193 18.913 11.873 1.00 44.34 H new ATOM 0 HB2 SER A 61 7.818 19.882 12.264 1.00 34.35 H new ATOM 0 HB3 SER A 61 8.275 18.446 13.159 1.00 34.35 H new ATOM 0 HG SER A 61 7.304 20.056 14.517 1.00 14.11 H new ATOM 869 N HIS A 62 9.568 22.088 12.546 1.00 2.35 N ATOM 870 CA HIS A 62 9.658 23.441 12.008 1.00 72.24 C ATOM 871 C HIS A 62 11.100 23.791 11.655 1.00 63.42 C ATOM 872 O HIS A 62 12.039 23.302 12.282 1.00 62.43 O ATOM 873 CB HIS A 62 9.107 24.451 13.015 1.00 44.14 C ATOM 874 CG HIS A 62 7.896 25.184 12.527 1.00 75.34 C ATOM 875 ND1 HIS A 62 7.702 26.535 12.724 1.00 25.42 N ATOM 876 CD2 HIS A 62 6.812 24.746 11.844 1.00 15.03 C ATOM 877 CE1 HIS A 62 6.551 26.896 12.186 1.00 24.01 C ATOM 878 NE2 HIS A 62 5.991 25.829 11.645 1.00 1.12 N ATOM 0 H HIS A 62 9.063 22.018 13.430 1.00 2.35 H new ATOM 0 HA HIS A 62 9.060 23.484 11.098 1.00 72.24 H new ATOM 0 HB2 HIS A 62 8.858 23.931 13.940 1.00 44.14 H new ATOM 0 HB3 HIS A 62 9.887 25.174 13.256 1.00 44.14 H new ATOM 0 HD2 HIS A 62 6.627 23.734 11.517 1.00 15.03 H new ATOM 0 HE1 HIS A 62 6.138 27.894 12.188 1.00 24.01 H new ATOM 0 HE2 HIS A 62 5.095 25.812 11.159 1.00 1.12 H new ATOM 886 N GLY A 63 11.269 24.640 10.646 1.00 54.21 N ATOM 887 CA GLY A 63 12.599 25.040 10.227 1.00 63.22 C ATOM 888 C GLY A 63 12.755 26.546 10.151 1.00 64.31 C ATOM 889 O GLY A 63 11.780 27.269 9.946 1.00 53.11 O ATOM 0 H GLY A 63 10.508 25.058 10.111 1.00 54.21 H new ATOM 0 HA2 GLY A 63 13.333 24.637 10.925 1.00 63.22 H new ATOM 0 HA3 GLY A 63 12.815 24.606 9.251 1.00 63.22 H new ATOM 893 N LEU A 64 13.985 27.020 10.318 1.00 12.40 N ATOM 894 CA LEU A 64 14.266 28.451 10.269 1.00 13.11 C ATOM 895 C LEU A 64 15.655 28.714 9.697 1.00 51.02 C ATOM 896 O LEU A 64 16.595 27.962 9.952 1.00 32.04 O ATOM 897 CB LEU A 64 14.154 29.061 11.667 1.00 31.05 C ATOM 898 CG LEU A 64 12.937 28.635 12.490 1.00 41.40 C ATOM 899 CD1 LEU A 64 13.193 27.299 13.170 1.00 43.31 C ATOM 900 CD2 LEU A 64 12.589 29.701 13.519 1.00 45.42 C ATOM 0 H LEU A 64 14.803 26.435 10.488 1.00 12.40 H new ATOM 0 HA LEU A 64 13.530 28.918 9.615 1.00 13.11 H new ATOM 0 HB2 LEU A 64 15.054 28.805 12.227 1.00 31.05 H new ATOM 0 HB3 LEU A 64 14.139 30.146 11.568 1.00 31.05 H new ATOM 0 HG LEU A 64 12.089 28.519 11.815 1.00 41.40 H new ATOM 0 HD11 LEU A 64 12.316 27.012 13.751 1.00 43.31 H new ATOM 0 HD12 LEU A 64 13.392 26.539 12.415 1.00 43.31 H new ATOM 0 HD13 LEU A 64 14.054 27.387 13.832 1.00 43.31 H new ATOM 0 HD21 LEU A 64 11.721 29.381 14.095 1.00 45.42 H new ATOM 0 HD22 LEU A 64 13.435 29.849 14.190 1.00 45.42 H new ATOM 0 HD23 LEU A 64 12.361 30.638 13.010 1.00 45.42 H new ATOM 912 N ALA A 65 15.777 29.788 8.923 1.00 20.30 N ATOM 913 CA ALA A 65 17.052 30.152 8.318 1.00 1.42 C ATOM 914 C ALA A 65 17.608 31.430 8.938 1.00 40.13 C ATOM 915 O ALA A 65 17.168 32.532 8.610 1.00 4.24 O ATOM 916 CB ALA A 65 16.895 30.318 6.814 1.00 15.10 C ATOM 0 H ALA A 65 15.008 30.421 8.701 1.00 20.30 H new ATOM 0 HA ALA A 65 17.761 29.347 8.511 1.00 1.42 H new ATOM 0 HB1 ALA A 65 17.855 30.590 6.376 1.00 15.10 H new ATOM 0 HB2 ALA A 65 16.550 29.380 6.379 1.00 15.10 H new ATOM 0 HB3 ALA A 65 16.167 31.103 6.609 1.00 15.10 H new ATOM 922 N SER A 66 18.577 31.275 9.835 1.00 74.43 N ATOM 923 CA SER A 66 19.190 32.416 10.504 1.00 55.24 C ATOM 924 C SER A 66 20.484 32.823 9.807 1.00 42.34 C ATOM 925 O SER A 66 21.267 31.974 9.379 1.00 4.44 O ATOM 926 CB SER A 66 19.469 32.085 11.971 1.00 62.23 C ATOM 927 OG SER A 66 19.884 33.237 12.684 1.00 41.03 O ATOM 0 H SER A 66 18.954 30.370 10.115 1.00 74.43 H new ATOM 0 HA SER A 66 18.493 33.252 10.455 1.00 55.24 H new ATOM 0 HB2 SER A 66 18.571 31.673 12.431 1.00 62.23 H new ATOM 0 HB3 SER A 66 20.240 31.317 12.033 1.00 62.23 H new ATOM 0 HG SER A 66 20.054 32.999 13.619 1.00 41.03 H new ATOM 933 N THR A 67 20.703 34.130 9.695 1.00 24.10 N ATOM 934 CA THR A 67 21.901 34.651 9.049 1.00 3.55 C ATOM 935 C THR A 67 22.505 35.797 9.854 1.00 54.43 C ATOM 936 O THR A 67 21.789 36.543 10.524 1.00 23.13 O ATOM 937 CB THR A 67 21.601 35.144 7.621 1.00 13.23 C ATOM 938 OG1 THR A 67 20.976 36.432 7.669 1.00 45.03 O ATOM 939 CG2 THR A 67 20.697 34.163 6.890 1.00 52.54 C ATOM 0 H THR A 67 20.066 34.846 10.043 1.00 24.10 H new ATOM 0 HA THR A 67 22.615 33.829 8.998 1.00 3.55 H new ATOM 0 HB THR A 67 22.544 35.218 7.079 1.00 13.23 H new ATOM 0 HG1 THR A 67 20.170 36.425 7.112 1.00 45.03 H new ATOM 0 HG21 THR A 67 20.498 34.532 5.884 1.00 52.54 H new ATOM 0 HG22 THR A 67 21.187 33.191 6.830 1.00 52.54 H new ATOM 0 HG23 THR A 67 19.756 34.062 7.432 1.00 52.54 H new ATOM 947 N LEU A 68 23.824 35.933 9.782 1.00 1.53 N ATOM 948 CA LEU A 68 24.524 36.991 10.504 1.00 64.53 C ATOM 949 C LEU A 68 25.727 37.488 9.709 1.00 63.24 C ATOM 950 O LEU A 68 26.758 37.842 10.280 1.00 72.23 O ATOM 951 CB LEU A 68 24.978 36.485 11.874 1.00 2.34 C ATOM 952 CG LEU A 68 24.012 35.546 12.597 1.00 12.22 C ATOM 953 CD1 LEU A 68 24.256 34.104 12.180 1.00 41.41 C ATOM 954 CD2 LEU A 68 24.149 35.697 14.105 1.00 0.42 C ATOM 0 H LEU A 68 24.431 35.325 9.232 1.00 1.53 H new ATOM 0 HA LEU A 68 23.833 37.823 10.641 1.00 64.53 H new ATOM 0 HB2 LEU A 68 25.931 35.969 11.751 1.00 2.34 H new ATOM 0 HB3 LEU A 68 25.163 37.347 12.515 1.00 2.34 H new ATOM 0 HG LEU A 68 22.994 35.817 12.316 1.00 12.22 H new ATOM 0 HD11 LEU A 68 23.559 33.451 12.705 1.00 41.41 H new ATOM 0 HD12 LEU A 68 24.106 34.006 11.105 1.00 41.41 H new ATOM 0 HD13 LEU A 68 25.278 33.821 12.431 1.00 41.41 H new ATOM 0 HD21 LEU A 68 23.454 35.021 14.603 1.00 0.42 H new ATOM 0 HD22 LEU A 68 25.169 35.454 14.404 1.00 0.42 H new ATOM 0 HD23 LEU A 68 23.923 36.725 14.390 1.00 0.42 H new ATOM 966 N ASN A 69 25.587 37.513 8.387 1.00 1.52 N ATOM 967 CA ASN A 69 26.662 37.969 7.513 1.00 11.42 C ATOM 968 C ASN A 69 26.334 39.333 6.913 1.00 11.34 C ATOM 969 O ASN A 69 25.240 39.862 7.111 1.00 23.24 O ATOM 970 CB ASN A 69 26.904 36.953 6.395 1.00 2.14 C ATOM 971 CG ASN A 69 25.611 36.420 5.808 1.00 5.33 C ATOM 972 OD1 ASN A 69 25.131 36.913 4.788 1.00 71.15 O ATOM 973 ND2 ASN A 69 25.042 35.408 6.453 1.00 51.52 N ATOM 0 H ASN A 69 24.740 37.223 7.898 1.00 1.52 H new ATOM 0 HA ASN A 69 27.568 38.063 8.112 1.00 11.42 H new ATOM 0 HB2 ASN A 69 27.493 37.419 5.605 1.00 2.14 H new ATOM 0 HB3 ASN A 69 27.493 36.122 6.784 1.00 2.14 H new ATOM 0 HD21 ASN A 69 24.171 35.007 6.106 1.00 51.52 H new ATOM 0 HD22 ASN A 69 25.477 35.031 7.295 1.00 51.52 H new ATOM 980 N GLN A 70 27.289 39.896 6.180 1.00 55.04 N ATOM 981 CA GLN A 70 27.101 41.198 5.551 1.00 14.20 C ATOM 982 C GLN A 70 27.125 41.077 4.031 1.00 54.51 C ATOM 983 O GLN A 70 27.750 41.884 3.344 1.00 61.21 O ATOM 984 CB GLN A 70 28.185 42.173 6.014 1.00 32.22 C ATOM 985 CG GLN A 70 28.325 42.254 7.526 1.00 74.22 C ATOM 986 CD GLN A 70 29.743 41.996 7.995 1.00 33.44 C ATOM 987 OE1 GLN A 70 30.033 40.956 8.587 1.00 23.33 O ATOM 988 NE2 GLN A 70 30.635 42.943 7.733 1.00 2.22 N ATOM 0 H GLN A 70 28.200 39.471 6.007 1.00 55.04 H new ATOM 0 HA GLN A 70 26.126 41.581 5.851 1.00 14.20 H new ATOM 0 HB2 GLN A 70 29.140 41.872 5.585 1.00 32.22 H new ATOM 0 HB3 GLN A 70 27.959 43.166 5.625 1.00 32.22 H new ATOM 0 HG2 GLN A 70 28.008 43.241 7.864 1.00 74.22 H new ATOM 0 HG3 GLN A 70 27.656 41.529 7.988 1.00 74.22 H new ATOM 0 HE21 GLN A 70 30.350 43.789 7.240 1.00 2.22 H new ATOM 0 HE22 GLN A 70 31.605 42.825 8.025 1.00 2.22 H new ATOM 997 N GLY A 71 26.439 40.064 3.512 1.00 73.54 N ATOM 998 CA GLY A 71 26.395 39.856 2.076 1.00 20.50 C ATOM 999 C GLY A 71 25.072 39.279 1.614 1.00 74.22 C ATOM 1000 O GLY A 71 24.008 39.775 1.983 1.00 61.11 O ATOM 0 H GLY A 71 25.913 39.383 4.060 1.00 73.54 H new ATOM 0 HA2 GLY A 71 26.571 40.805 1.569 1.00 20.50 H new ATOM 0 HA3 GLY A 71 27.202 39.184 1.784 1.00 20.50 H new ATOM 1004 N ASN A 72 25.137 38.228 0.802 1.00 11.41 N ATOM 1005 CA ASN A 72 23.934 37.585 0.287 1.00 71.23 C ATOM 1006 C ASN A 72 23.944 36.090 0.591 1.00 60.23 C ATOM 1007 O ASN A 72 24.981 35.433 0.497 1.00 2.20 O ATOM 1008 CB ASN A 72 23.817 37.809 -1.222 1.00 50.03 C ATOM 1009 CG ASN A 72 22.825 36.864 -1.872 1.00 54.20 C ATOM 1010 OD1 ASN A 72 23.184 35.767 -2.300 1.00 51.44 O ATOM 1011 ND2 ASN A 72 21.568 37.287 -1.948 1.00 61.02 N ATOM 0 H ASN A 72 26.010 37.804 0.487 1.00 11.41 H new ATOM 0 HA ASN A 72 23.072 38.033 0.782 1.00 71.23 H new ATOM 0 HB2 ASN A 72 23.512 38.838 -1.411 1.00 50.03 H new ATOM 0 HB3 ASN A 72 24.796 37.677 -1.683 1.00 50.03 H new ATOM 0 HD21 ASN A 72 20.855 36.695 -2.374 1.00 61.02 H new ATOM 0 HD22 ASN A 72 21.315 38.204 -1.580 1.00 61.02 H new ATOM 1018 N VAL A 73 22.782 35.558 0.955 1.00 74.53 N ATOM 1019 CA VAL A 73 22.656 34.140 1.271 1.00 75.21 C ATOM 1020 C VAL A 73 21.602 33.473 0.394 1.00 62.34 C ATOM 1021 O VAL A 73 20.530 34.031 0.158 1.00 62.52 O ATOM 1022 CB VAL A 73 22.286 33.925 2.751 1.00 51.53 C ATOM 1023 CG1 VAL A 73 23.422 34.377 3.656 1.00 62.42 C ATOM 1024 CG2 VAL A 73 20.999 34.662 3.090 1.00 73.31 C ATOM 0 H VAL A 73 21.914 36.087 1.038 1.00 74.53 H new ATOM 0 HA VAL A 73 23.627 33.685 1.077 1.00 75.21 H new ATOM 0 HB VAL A 73 22.123 32.860 2.916 1.00 51.53 H new ATOM 0 HG11 VAL A 73 23.143 34.218 4.698 1.00 62.42 H new ATOM 0 HG12 VAL A 73 24.319 33.801 3.429 1.00 62.42 H new ATOM 0 HG13 VAL A 73 23.619 35.436 3.491 1.00 62.42 H new ATOM 0 HG21 VAL A 73 20.752 34.499 4.139 1.00 73.31 H new ATOM 0 HG22 VAL A 73 21.132 35.729 2.910 1.00 73.31 H new ATOM 0 HG23 VAL A 73 20.189 34.287 2.464 1.00 73.31 H new ATOM 1034 N LYS A 74 21.914 32.274 -0.088 1.00 0.21 N ATOM 1035 CA LYS A 74 20.994 31.528 -0.938 1.00 65.15 C ATOM 1036 C LYS A 74 20.423 30.324 -0.197 1.00 14.03 C ATOM 1037 O LYS A 74 21.165 29.458 0.266 1.00 34.35 O ATOM 1038 CB LYS A 74 21.707 31.065 -2.211 1.00 74.24 C ATOM 1039 CG LYS A 74 20.835 31.128 -3.453 1.00 74.34 C ATOM 1040 CD LYS A 74 20.429 32.556 -3.778 1.00 34.51 C ATOM 1041 CE LYS A 74 20.709 32.898 -5.233 1.00 71.42 C ATOM 1042 NZ LYS A 74 22.087 33.430 -5.422 1.00 71.44 N ATOM 0 H LYS A 74 22.797 31.798 0.096 1.00 0.21 H new ATOM 0 HA LYS A 74 20.171 32.189 -1.209 1.00 65.15 H new ATOM 0 HB2 LYS A 74 22.592 31.682 -2.367 1.00 74.24 H new ATOM 0 HB3 LYS A 74 22.053 30.041 -2.072 1.00 74.24 H new ATOM 0 HG2 LYS A 74 21.374 30.701 -4.299 1.00 74.34 H new ATOM 0 HG3 LYS A 74 19.943 30.520 -3.303 1.00 74.34 H new ATOM 0 HD2 LYS A 74 19.368 32.690 -3.570 1.00 34.51 H new ATOM 0 HD3 LYS A 74 20.970 33.246 -3.130 1.00 34.51 H new ATOM 0 HE2 LYS A 74 20.576 32.008 -5.848 1.00 71.42 H new ATOM 0 HE3 LYS A 74 19.984 33.635 -5.579 1.00 71.42 H new ATOM 0 HZ1 LYS A 74 22.239 33.651 -6.427 1.00 71.44 H new ATOM 0 HZ2 LYS A 74 22.206 34.294 -4.855 1.00 71.44 H new ATOM 0 HZ3 LYS A 74 22.779 32.717 -5.116 1.00 71.44 H new ATOM 1056 N VAL A 75 19.099 30.275 -0.089 1.00 14.44 N ATOM 1057 CA VAL A 75 18.427 29.176 0.595 1.00 41.24 C ATOM 1058 C VAL A 75 17.963 28.115 -0.396 1.00 70.25 C ATOM 1059 O VAL A 75 17.134 28.382 -1.267 1.00 72.21 O ATOM 1060 CB VAL A 75 17.214 29.675 1.402 1.00 72.31 C ATOM 1061 CG1 VAL A 75 16.523 28.513 2.100 1.00 51.13 C ATOM 1062 CG2 VAL A 75 17.642 30.733 2.407 1.00 12.03 C ATOM 0 H VAL A 75 18.470 30.984 -0.467 1.00 14.44 H new ATOM 0 HA VAL A 75 19.153 28.737 1.279 1.00 41.24 H new ATOM 0 HB VAL A 75 16.502 30.129 0.713 1.00 72.31 H new ATOM 0 HG11 VAL A 75 15.668 28.884 2.665 1.00 51.13 H new ATOM 0 HG12 VAL A 75 16.181 27.793 1.356 1.00 51.13 H new ATOM 0 HG13 VAL A 75 17.224 28.028 2.779 1.00 51.13 H new ATOM 0 HG21 VAL A 75 16.772 31.074 2.968 1.00 12.03 H new ATOM 0 HG22 VAL A 75 18.373 30.307 3.094 1.00 12.03 H new ATOM 0 HG23 VAL A 75 18.088 31.577 1.880 1.00 12.03 H new ATOM 1072 N THR A 76 18.503 26.908 -0.259 1.00 32.33 N ATOM 1073 CA THR A 76 18.145 25.805 -1.142 1.00 10.11 C ATOM 1074 C THR A 76 17.778 24.559 -0.345 1.00 23.34 C ATOM 1075 O THR A 76 18.552 24.096 0.493 1.00 1.42 O ATOM 1076 CB THR A 76 19.295 25.463 -2.108 1.00 22.14 C ATOM 1077 OG1 THR A 76 20.141 26.605 -2.286 1.00 72.44 O ATOM 1078 CG2 THR A 76 18.754 25.010 -3.455 1.00 53.53 C ATOM 0 H THR A 76 19.190 26.670 0.456 1.00 32.33 H new ATOM 0 HA THR A 76 17.280 26.131 -1.720 1.00 10.11 H new ATOM 0 HB THR A 76 19.874 24.647 -1.675 1.00 22.14 H new ATOM 0 HG1 THR A 76 20.871 26.379 -2.900 1.00 72.44 H new ATOM 0 HG21 THR A 76 19.585 24.774 -4.120 1.00 53.53 H new ATOM 0 HG22 THR A 76 18.135 24.123 -3.319 1.00 53.53 H new ATOM 0 HG23 THR A 76 18.154 25.808 -3.893 1.00 53.53 H new ATOM 1086 N ALA A 77 16.594 24.019 -0.611 1.00 75.31 N ATOM 1087 CA ALA A 77 16.126 22.824 0.080 1.00 32.40 C ATOM 1088 C ALA A 77 15.471 21.848 -0.892 1.00 14.30 C ATOM 1089 O ALA A 77 15.045 22.234 -1.981 1.00 32.04 O ATOM 1090 CB ALA A 77 15.153 23.201 1.188 1.00 45.13 C ATOM 0 H ALA A 77 15.941 24.390 -1.301 1.00 75.31 H new ATOM 0 HA ALA A 77 16.990 22.330 0.523 1.00 32.40 H new ATOM 0 HB1 ALA A 77 14.812 22.299 1.695 1.00 45.13 H new ATOM 0 HB2 ALA A 77 15.652 23.853 1.904 1.00 45.13 H new ATOM 0 HB3 ALA A 77 14.297 23.722 0.759 1.00 45.13 H new ATOM 1096 N SER A 78 15.394 20.583 -0.492 1.00 13.12 N ATOM 1097 CA SER A 78 14.794 19.551 -1.330 1.00 42.40 C ATOM 1098 C SER A 78 14.112 18.486 -0.476 1.00 44.35 C ATOM 1099 O SER A 78 14.656 18.046 0.537 1.00 60.12 O ATOM 1100 CB SER A 78 15.858 18.905 -2.219 1.00 23.41 C ATOM 1101 OG SER A 78 15.659 19.242 -3.581 1.00 31.13 O ATOM 0 H SER A 78 15.740 20.248 0.407 1.00 13.12 H new ATOM 0 HA SER A 78 14.041 20.022 -1.961 1.00 42.40 H new ATOM 0 HB2 SER A 78 16.848 19.231 -1.902 1.00 23.41 H new ATOM 0 HB3 SER A 78 15.826 17.822 -2.101 1.00 23.41 H new ATOM 0 HG SER A 78 16.353 18.818 -4.128 1.00 31.13 H new ATOM 1107 N ILE A 79 12.919 18.077 -0.894 1.00 1.42 N ATOM 1108 CA ILE A 79 12.163 17.064 -0.169 1.00 70.31 C ATOM 1109 C ILE A 79 11.496 16.085 -1.129 1.00 71.51 C ATOM 1110 O ILE A 79 10.650 16.469 -1.936 1.00 64.40 O ATOM 1111 CB ILE A 79 11.085 17.700 0.729 1.00 63.24 C ATOM 1112 CG1 ILE A 79 10.202 16.615 1.349 1.00 40.40 C ATOM 1113 CG2 ILE A 79 10.243 18.683 -0.070 1.00 44.44 C ATOM 1114 CD1 ILE A 79 9.998 16.781 2.839 1.00 42.03 C ATOM 0 H ILE A 79 12.455 18.431 -1.731 1.00 1.42 H new ATOM 0 HA ILE A 79 12.875 16.527 0.458 1.00 70.31 H new ATOM 0 HB ILE A 79 11.578 18.245 1.534 1.00 63.24 H new ATOM 0 HG12 ILE A 79 9.231 16.622 0.854 1.00 40.40 H new ATOM 0 HG13 ILE A 79 10.650 15.640 1.158 1.00 40.40 H new ATOM 0 HG21 ILE A 79 9.486 19.124 0.578 1.00 44.44 H new ATOM 0 HG22 ILE A 79 10.883 19.470 -0.468 1.00 44.44 H new ATOM 0 HG23 ILE A 79 9.756 18.160 -0.893 1.00 44.44 H new ATOM 0 HD11 ILE A 79 9.363 15.977 3.211 1.00 42.03 H new ATOM 0 HD12 ILE A 79 10.963 16.744 3.345 1.00 42.03 H new ATOM 0 HD13 ILE A 79 9.521 17.741 3.036 1.00 42.03 H new ATOM 1126 N GLY A 80 11.881 14.815 -1.034 1.00 44.52 N ATOM 1127 CA GLY A 80 11.309 13.800 -1.899 1.00 24.12 C ATOM 1128 C GLY A 80 11.639 14.030 -3.360 1.00 40.03 C ATOM 1129 O GLY A 80 12.668 13.569 -3.852 1.00 21.10 O ATOM 0 H GLY A 80 12.578 14.472 -0.374 1.00 44.52 H new ATOM 0 HA2 GLY A 80 11.677 12.820 -1.597 1.00 24.12 H new ATOM 0 HA3 GLY A 80 10.227 13.787 -1.772 1.00 24.12 H new ATOM 1133 N GLY A 81 10.761 14.745 -4.058 1.00 64.11 N ATOM 1134 CA GLY A 81 10.982 15.021 -5.466 1.00 15.13 C ATOM 1135 C GLY A 81 11.180 16.498 -5.743 1.00 12.24 C ATOM 1136 O GLY A 81 12.311 16.963 -5.888 1.00 71.42 O ATOM 0 H GLY A 81 9.902 15.138 -3.674 1.00 64.11 H new ATOM 0 HA2 GLY A 81 11.858 14.470 -5.808 1.00 15.13 H new ATOM 0 HA3 GLY A 81 10.131 14.657 -6.042 1.00 15.13 H new ATOM 1140 N ILE A 82 10.078 17.238 -5.817 1.00 63.40 N ATOM 1141 CA ILE A 82 10.137 18.670 -6.079 1.00 51.21 C ATOM 1142 C ILE A 82 11.071 19.371 -5.098 1.00 72.21 C ATOM 1143 O ILE A 82 11.238 18.928 -3.962 1.00 64.23 O ATOM 1144 CB ILE A 82 8.741 19.316 -5.992 1.00 64.13 C ATOM 1145 CG1 ILE A 82 7.754 18.571 -6.892 1.00 73.43 C ATOM 1146 CG2 ILE A 82 8.813 20.786 -6.378 1.00 71.34 C ATOM 1147 CD1 ILE A 82 8.199 18.483 -8.335 1.00 72.04 C ATOM 0 H ILE A 82 9.134 16.869 -5.699 1.00 63.40 H new ATOM 0 HA ILE A 82 10.522 18.790 -7.092 1.00 51.21 H new ATOM 0 HB ILE A 82 8.388 19.248 -4.963 1.00 64.13 H new ATOM 0 HG12 ILE A 82 7.610 17.563 -6.503 1.00 73.43 H new ATOM 0 HG13 ILE A 82 6.787 19.071 -6.849 1.00 73.43 H new ATOM 0 HG21 ILE A 82 7.819 21.229 -6.312 1.00 71.34 H new ATOM 0 HG22 ILE A 82 9.489 21.308 -5.700 1.00 71.34 H new ATOM 0 HG23 ILE A 82 9.183 20.876 -7.399 1.00 71.34 H new ATOM 0 HD11 ILE A 82 7.451 17.942 -8.914 1.00 72.04 H new ATOM 0 HD12 ILE A 82 8.316 19.488 -8.742 1.00 72.04 H new ATOM 0 HD13 ILE A 82 9.152 17.956 -8.391 1.00 72.04 H new ATOM 1159 N GLN A 83 11.675 20.467 -5.545 1.00 15.44 N ATOM 1160 CA GLN A 83 12.591 21.230 -4.705 1.00 12.10 C ATOM 1161 C GLN A 83 12.242 22.715 -4.728 1.00 21.33 C ATOM 1162 O GLN A 83 11.521 23.180 -5.609 1.00 71.21 O ATOM 1163 CB GLN A 83 14.033 21.026 -5.171 1.00 62.32 C ATOM 1164 CG GLN A 83 14.332 21.658 -6.521 1.00 12.21 C ATOM 1165 CD GLN A 83 15.744 21.380 -6.996 1.00 4.51 C ATOM 1166 OE1 GLN A 83 16.465 22.292 -7.404 1.00 72.23 O ATOM 1167 NE2 GLN A 83 16.149 20.117 -6.945 1.00 32.33 N ATOM 0 H GLN A 83 11.547 20.846 -6.483 1.00 15.44 H new ATOM 0 HA GLN A 83 12.493 20.868 -3.682 1.00 12.10 H new ATOM 0 HB2 GLN A 83 14.709 21.444 -4.426 1.00 62.32 H new ATOM 0 HB3 GLN A 83 14.241 19.957 -5.226 1.00 62.32 H new ATOM 0 HG2 GLN A 83 13.624 21.281 -7.259 1.00 12.21 H new ATOM 0 HG3 GLN A 83 14.181 22.735 -6.455 1.00 12.21 H new ATOM 0 HE21 GLN A 83 15.519 19.393 -6.600 1.00 32.33 H new ATOM 0 HE22 GLN A 83 17.090 19.871 -7.251 1.00 32.33 H new ATOM 1176 N GLY A 84 12.759 23.454 -3.751 1.00 43.21 N ATOM 1177 CA GLY A 84 12.491 24.878 -3.677 1.00 51.45 C ATOM 1178 C GLY A 84 13.745 25.693 -3.428 1.00 71.34 C ATOM 1179 O GLY A 84 14.705 25.201 -2.836 1.00 63.42 O ATOM 0 H GLY A 84 13.359 23.092 -3.010 1.00 43.21 H new ATOM 0 HA2 GLY A 84 12.027 25.206 -4.607 1.00 51.45 H new ATOM 0 HA3 GLY A 84 11.773 25.068 -2.879 1.00 51.45 H new ATOM 1183 N SER A 85 13.738 26.942 -3.883 1.00 33.30 N ATOM 1184 CA SER A 85 14.886 27.824 -3.711 1.00 54.41 C ATOM 1185 C SER A 85 14.435 29.266 -3.498 1.00 10.35 C ATOM 1186 O SER A 85 13.423 29.702 -4.048 1.00 61.31 O ATOM 1187 CB SER A 85 15.807 27.741 -4.930 1.00 13.22 C ATOM 1188 OG SER A 85 15.171 28.258 -6.086 1.00 74.20 O ATOM 0 H SER A 85 12.950 27.366 -4.373 1.00 33.30 H new ATOM 0 HA SER A 85 15.435 27.498 -2.827 1.00 54.41 H new ATOM 0 HB2 SER A 85 16.724 28.298 -4.736 1.00 13.22 H new ATOM 0 HB3 SER A 85 16.095 26.704 -5.102 1.00 13.22 H new ATOM 0 HG SER A 85 15.781 28.195 -6.851 1.00 74.20 H new ATOM 1194 N THR A 86 15.194 30.004 -2.693 1.00 41.01 N ATOM 1195 CA THR A 86 14.874 31.396 -2.405 1.00 11.24 C ATOM 1196 C THR A 86 16.140 32.229 -2.241 1.00 22.04 C ATOM 1197 O THR A 86 17.197 31.706 -1.885 1.00 15.42 O ATOM 1198 CB THR A 86 14.021 31.524 -1.129 1.00 34.45 C ATOM 1199 OG1 THR A 86 13.273 30.321 -0.917 1.00 74.13 O ATOM 1200 CG2 THR A 86 13.070 32.707 -1.229 1.00 71.11 C ATOM 0 H THR A 86 16.035 29.660 -2.229 1.00 41.01 H new ATOM 0 HA THR A 86 14.303 31.771 -3.254 1.00 11.24 H new ATOM 0 HB THR A 86 14.692 31.688 -0.286 1.00 34.45 H new ATOM 0 HG1 THR A 86 12.734 30.410 -0.103 1.00 74.13 H new ATOM 0 HG21 THR A 86 12.479 32.777 -0.316 1.00 71.11 H new ATOM 0 HG22 THR A 86 13.643 33.625 -1.361 1.00 71.11 H new ATOM 0 HG23 THR A 86 12.406 32.569 -2.082 1.00 71.11 H new ATOM 1208 N ASP A 87 16.027 33.527 -2.502 1.00 30.45 N ATOM 1209 CA ASP A 87 17.163 34.433 -2.381 1.00 23.30 C ATOM 1210 C ASP A 87 17.021 35.321 -1.149 1.00 44.31 C ATOM 1211 O ASP A 87 15.972 35.925 -0.924 1.00 23.13 O ATOM 1212 CB ASP A 87 17.289 35.297 -3.637 1.00 23.23 C ATOM 1213 CG ASP A 87 18.286 36.426 -3.465 1.00 24.31 C ATOM 1214 OD1 ASP A 87 17.875 37.518 -3.021 1.00 4.50 O ATOM 1215 OD2 ASP A 87 19.478 36.216 -3.774 1.00 0.34 O ATOM 0 H ASP A 87 15.160 33.975 -2.799 1.00 30.45 H new ATOM 0 HA ASP A 87 18.066 33.832 -2.271 1.00 23.30 H new ATOM 0 HB2 ASP A 87 17.594 34.671 -4.476 1.00 23.23 H new ATOM 0 HB3 ASP A 87 16.313 35.713 -3.888 1.00 23.23 H new ATOM 1220 N PHE A 88 18.084 35.396 -0.354 1.00 73.12 N ATOM 1221 CA PHE A 88 18.077 36.209 0.856 1.00 1.03 C ATOM 1222 C PHE A 88 19.284 37.142 0.892 1.00 64.43 C ATOM 1223 O PHE A 88 20.380 36.775 0.465 1.00 55.22 O ATOM 1224 CB PHE A 88 18.073 35.314 2.097 1.00 23.03 C ATOM 1225 CG PHE A 88 16.706 34.824 2.479 1.00 13.42 C ATOM 1226 CD1 PHE A 88 16.005 33.966 1.647 1.00 43.01 C ATOM 1227 CD2 PHE A 88 16.121 35.222 3.670 1.00 14.24 C ATOM 1228 CE1 PHE A 88 14.746 33.515 1.996 1.00 64.23 C ATOM 1229 CE2 PHE A 88 14.862 34.774 4.025 1.00 70.13 C ATOM 1230 CZ PHE A 88 14.175 33.918 3.187 1.00 55.25 C ATOM 0 H PHE A 88 18.961 34.904 -0.526 1.00 73.12 H new ATOM 0 HA PHE A 88 17.171 36.816 0.851 1.00 1.03 H new ATOM 0 HB2 PHE A 88 18.721 34.456 1.918 1.00 23.03 H new ATOM 0 HB3 PHE A 88 18.499 35.866 2.935 1.00 23.03 H new ATOM 0 HD1 PHE A 88 16.447 33.646 0.715 1.00 43.01 H new ATOM 0 HD2 PHE A 88 16.655 35.890 4.329 1.00 14.24 H new ATOM 0 HE1 PHE A 88 14.209 32.848 1.338 1.00 64.23 H new ATOM 0 HE2 PHE A 88 14.417 35.093 4.956 1.00 70.13 H new ATOM 0 HZ PHE A 88 13.193 33.564 3.463 1.00 55.25 H new ATOM 1240 N LYS A 89 19.076 38.350 1.403 1.00 20.03 N ATOM 1241 CA LYS A 89 20.145 39.337 1.496 1.00 24.22 C ATOM 1242 C LYS A 89 20.383 39.746 2.946 1.00 3.52 C ATOM 1243 O LYS A 89 19.473 40.223 3.624 1.00 2.43 O ATOM 1244 CB LYS A 89 19.804 40.570 0.656 1.00 20.43 C ATOM 1245 CG LYS A 89 20.577 40.650 -0.649 1.00 23.34 C ATOM 1246 CD LYS A 89 22.077 40.684 -0.407 1.00 0.11 C ATOM 1247 CE LYS A 89 22.458 41.780 0.577 1.00 60.13 C ATOM 1248 NZ LYS A 89 21.920 43.106 0.165 1.00 11.13 N ATOM 0 H LYS A 89 18.175 38.670 1.760 1.00 20.03 H new ATOM 0 HA LYS A 89 21.058 38.884 1.110 1.00 24.22 H new ATOM 0 HB2 LYS A 89 18.736 40.566 0.436 1.00 20.43 H new ATOM 0 HB3 LYS A 89 20.005 41.466 1.243 1.00 20.43 H new ATOM 0 HG2 LYS A 89 20.328 39.792 -1.274 1.00 23.34 H new ATOM 0 HG3 LYS A 89 20.276 41.542 -1.197 1.00 23.34 H new ATOM 0 HD2 LYS A 89 22.407 39.718 -0.023 1.00 0.11 H new ATOM 0 HD3 LYS A 89 22.596 40.846 -1.352 1.00 0.11 H new ATOM 0 HE2 LYS A 89 22.080 41.526 1.567 1.00 60.13 H new ATOM 0 HE3 LYS A 89 23.544 41.837 0.655 1.00 60.13 H new ATOM 0 HZ1 LYS A 89 22.612 43.848 0.394 1.00 11.13 H new ATOM 0 HZ2 LYS A 89 21.740 43.105 -0.859 1.00 11.13 H new ATOM 0 HZ3 LYS A 89 21.031 43.293 0.672 1.00 11.13 H new ATOM 1262 N VAL A 90 21.613 39.559 3.415 1.00 33.45 N ATOM 1263 CA VAL A 90 21.971 39.911 4.784 1.00 13.22 C ATOM 1264 C VAL A 90 22.911 41.110 4.815 1.00 44.54 C ATOM 1265 O VAL A 90 23.991 41.083 4.223 1.00 22.40 O ATOM 1266 CB VAL A 90 22.639 38.730 5.511 1.00 23.55 C ATOM 1267 CG1 VAL A 90 22.531 38.900 7.019 1.00 21.01 C ATOM 1268 CG2 VAL A 90 22.019 37.413 5.070 1.00 61.34 C ATOM 0 H VAL A 90 22.378 39.166 2.867 1.00 33.45 H new ATOM 0 HA VAL A 90 21.044 40.166 5.298 1.00 13.22 H new ATOM 0 HB VAL A 90 23.696 38.715 5.246 1.00 23.55 H new ATOM 0 HG11 VAL A 90 23.009 38.055 7.516 1.00 21.01 H new ATOM 0 HG12 VAL A 90 23.026 39.824 7.317 1.00 21.01 H new ATOM 0 HG13 VAL A 90 21.480 38.943 7.306 1.00 21.01 H new ATOM 0 HG21 VAL A 90 22.504 36.589 5.594 1.00 61.34 H new ATOM 0 HG22 VAL A 90 20.954 37.416 5.304 1.00 61.34 H new ATOM 0 HG23 VAL A 90 22.154 37.289 3.996 1.00 61.34 H new ATOM 1278 N THR A 91 22.495 42.165 5.509 1.00 71.00 N ATOM 1279 CA THR A 91 23.299 43.375 5.617 1.00 45.43 C ATOM 1280 C THR A 91 23.829 43.559 7.034 1.00 0.23 C ATOM 1281 O THR A 91 23.472 42.808 7.941 1.00 3.14 O ATOM 1282 CB THR A 91 22.492 44.624 5.217 1.00 54.44 C ATOM 1283 OG1 THR A 91 21.299 44.236 4.526 1.00 71.10 O ATOM 1284 CG2 THR A 91 23.320 45.544 4.332 1.00 74.24 C ATOM 0 H THR A 91 21.605 42.205 6.005 1.00 71.00 H new ATOM 0 HA THR A 91 24.138 43.258 4.931 1.00 45.43 H new ATOM 0 HB THR A 91 22.226 45.164 6.126 1.00 54.44 H new ATOM 0 HG1 THR A 91 20.791 45.036 4.277 1.00 71.10 H new ATOM 0 HG21 THR A 91 22.728 46.419 4.063 1.00 74.24 H new ATOM 0 HG22 THR A 91 24.212 45.861 4.871 1.00 74.24 H new ATOM 0 HG23 THR A 91 23.613 45.012 3.427 1.00 74.24 H new ATOM 1292 N GLN A 92 24.681 44.563 7.217 1.00 30.22 N ATOM 1293 CA GLN A 92 25.259 44.844 8.526 1.00 42.42 C ATOM 1294 C GLN A 92 25.906 43.595 9.116 1.00 54.24 C ATOM 1295 O GLN A 92 26.853 43.684 9.897 1.00 22.32 O ATOM 1296 CB GLN A 92 24.186 45.375 9.478 1.00 51.44 C ATOM 1297 CG GLN A 92 24.082 46.892 9.492 1.00 74.14 C ATOM 1298 CD GLN A 92 22.827 47.397 8.807 1.00 33.04 C ATOM 1299 OE1 GLN A 92 21.722 46.934 9.092 1.00 54.32 O ATOM 1300 NE2 GLN A 92 22.991 48.352 7.899 1.00 33.22 N ATOM 0 H GLN A 92 24.986 45.195 6.476 1.00 30.22 H new ATOM 0 HA GLN A 92 26.030 45.604 8.398 1.00 42.42 H new ATOM 0 HB2 GLN A 92 23.221 44.956 9.195 1.00 51.44 H new ATOM 0 HB3 GLN A 92 24.402 45.025 10.487 1.00 51.44 H new ATOM 0 HG2 GLN A 92 24.095 47.244 10.524 1.00 74.14 H new ATOM 0 HG3 GLN A 92 24.956 47.317 8.999 1.00 74.14 H new ATOM 0 HE21 GLN A 92 23.925 48.706 7.694 1.00 33.22 H new ATOM 0 HE22 GLN A 92 22.183 48.731 7.406 1.00 33.22 H new TER 1309 GLN A 92