USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 22 THR OG1 : rot 180:sc= 0.00735 USER MOD Set 1.2: A 25 ASN : amide:sc= 0 X(o=0.0073,f=0.31) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0325 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.177) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.947 (180deg=-0.227) USER MOD Single : A 2 GLN : amide:sc= 0.459 K(o=0.46,f=-6.6!) USER MOD Single : A 6 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.619) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 61:sc= 0.0706 USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.344 USER MOD Single : A 20 SER OG : rot 101:sc= 1.15 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.992) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0.259 (180deg=0.253) USER MOD Single : A 40 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.65) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.557 K(o=0.56,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -63:sc=0.000378 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.691 26.674 34.084 1.00 0.00 N ATOM 2 CA MET A 1 19.383 26.612 32.774 1.00 0.00 C ATOM 3 C MET A 1 20.859 26.335 32.997 1.00 0.00 C ATOM 4 O MET A 1 21.617 27.245 33.305 1.00 0.00 O ATOM 5 CB MET A 1 19.192 27.877 31.906 1.00 0.00 C ATOM 6 CG MET A 1 19.218 29.215 32.661 1.00 0.00 C ATOM 7 SD MET A 1 17.640 29.642 33.452 1.00 0.00 S ATOM 8 CE MET A 1 16.674 30.215 32.023 1.00 0.00 C ATOM 0 H1 MET A 1 18.141 25.803 34.228 1.00 0.00 H new ATOM 0 H2 MET A 1 19.394 26.769 34.844 1.00 0.00 H new ATOM 0 H3 MET A 1 18.051 27.494 34.100 1.00 0.00 H new ATOM 0 HA MET A 1 18.925 25.799 32.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.973 27.895 31.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.240 27.795 31.382 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.997 29.176 33.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.491 30.009 31.966 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.931 30.940 32.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.340 30.683 31.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.171 29.366 31.560 1.00 0.00 H new ATOM 20 N GLN A 2 21.271 25.079 32.851 1.00 0.00 N ATOM 21 CA GLN A 2 22.671 24.701 33.021 1.00 0.00 C ATOM 22 C GLN A 2 23.466 24.925 31.728 1.00 0.00 C ATOM 23 O GLN A 2 22.954 24.722 30.621 1.00 0.00 O ATOM 24 CB GLN A 2 22.819 23.258 33.536 1.00 0.00 C ATOM 25 CG GLN A 2 22.016 22.932 34.810 1.00 0.00 C ATOM 26 CD GLN A 2 20.624 22.364 34.521 1.00 0.00 C ATOM 27 OE1 GLN A 2 19.880 22.847 33.671 1.00 0.00 O ATOM 28 NE2 GLN A 2 20.218 21.322 35.207 1.00 0.00 N ATOM 0 H GLN A 2 20.653 24.303 32.614 1.00 0.00 H new ATOM 0 HA GLN A 2 23.093 25.353 33.786 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.510 22.574 32.746 1.00 0.00 H new ATOM 0 HB3 GLN A 2 23.874 23.065 33.731 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.576 22.215 35.410 1.00 0.00 H new ATOM 0 HG3 GLN A 2 21.914 23.837 35.408 1.00 0.00 H new ATOM 0 HE21 GLN A 2 20.825 20.910 35.916 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.296 20.924 35.031 1.00 0.00 H new ATOM 37 N ILE A 3 24.733 25.310 31.888 1.00 0.00 N ATOM 38 CA ILE A 3 25.716 25.436 30.805 1.00 0.00 C ATOM 39 C ILE A 3 26.830 24.400 30.991 1.00 0.00 C ATOM 40 O ILE A 3 27.441 24.318 32.059 1.00 0.00 O ATOM 41 CB ILE A 3 26.250 26.883 30.665 1.00 0.00 C ATOM 42 CG1 ILE A 3 26.966 27.425 31.930 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.096 27.819 30.261 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.491 27.482 31.794 1.00 0.00 C ATOM 0 H ILE A 3 25.117 25.551 32.802 1.00 0.00 H new ATOM 0 HA ILE A 3 25.221 25.223 29.858 1.00 0.00 H new ATOM 0 HB ILE A 3 27.014 26.855 29.888 1.00 0.00 H new ATOM 0 HG12 ILE A 3 26.591 28.425 32.149 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.709 26.795 32.781 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.471 28.838 30.162 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.679 27.492 29.309 1.00 0.00 H new ATOM 0 HG23 ILE A 3 24.320 27.791 31.026 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.924 27.871 32.716 1.00 0.00 H new ATOM 0 HD12 ILE A 3 28.877 26.480 31.606 1.00 0.00 H new ATOM 0 HD13 ILE A 3 28.758 28.136 30.964 1.00 0.00 H new ATOM 56 N PHE A 4 27.056 23.596 29.955 1.00 0.00 N ATOM 57 CA PHE A 4 28.154 22.634 29.919 1.00 0.00 C ATOM 58 C PHE A 4 29.433 23.298 29.409 1.00 0.00 C ATOM 59 O PHE A 4 29.411 24.219 28.592 1.00 0.00 O ATOM 60 CB PHE A 4 27.784 21.353 29.153 1.00 0.00 C ATOM 61 CG PHE A 4 27.168 20.266 30.023 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.952 20.483 30.702 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.837 19.036 30.188 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.421 19.486 31.542 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.307 18.038 31.027 1.00 0.00 C ATOM 66 CZ PHE A 4 26.099 18.266 31.707 1.00 0.00 C ATOM 0 H PHE A 4 26.480 23.594 29.113 1.00 0.00 H new ATOM 0 HA PHE A 4 28.351 22.305 30.939 1.00 0.00 H new ATOM 0 HB2 PHE A 4 27.084 21.607 28.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 28.680 20.957 28.675 1.00 0.00 H new ATOM 0 HD1 PHE A 4 25.426 21.418 30.577 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.765 18.858 29.665 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.490 19.659 32.061 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.828 17.099 31.148 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.692 17.505 32.356 1.00 0.00 H new ATOM 76 N VAL A 5 30.585 22.825 29.872 1.00 0.00 N ATOM 77 CA VAL A 5 31.880 23.369 29.459 1.00 0.00 C ATOM 78 C VAL A 5 32.690 22.217 28.898 1.00 0.00 C ATOM 79 O VAL A 5 32.773 21.171 29.537 1.00 0.00 O ATOM 80 CB VAL A 5 32.581 24.090 30.628 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.941 24.641 30.190 1.00 0.00 C ATOM 82 CG2 VAL A 5 31.750 25.248 31.197 1.00 0.00 C ATOM 0 H VAL A 5 30.651 22.058 30.541 1.00 0.00 H new ATOM 0 HA VAL A 5 31.760 24.132 28.689 1.00 0.00 H new ATOM 0 HB VAL A 5 32.706 23.340 31.409 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.417 25.145 31.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.575 23.821 29.853 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.801 25.350 29.374 1.00 0.00 H new ATOM 0 HG21 VAL A 5 32.294 25.718 32.017 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.567 25.984 30.414 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.798 24.866 31.565 1.00 0.00 H new ATOM 92 N LYS A 6 33.260 22.387 27.709 1.00 0.00 N ATOM 93 CA LYS A 6 34.197 21.462 27.075 1.00 0.00 C ATOM 94 C LYS A 6 35.573 22.120 27.041 1.00 0.00 C ATOM 95 O LYS A 6 35.771 23.164 26.419 1.00 0.00 O ATOM 96 CB LYS A 6 33.688 21.098 25.663 1.00 0.00 C ATOM 97 CG LYS A 6 32.819 19.830 25.601 1.00 0.00 C ATOM 98 CD LYS A 6 33.598 18.571 26.014 1.00 0.00 C ATOM 99 CE LYS A 6 33.295 17.298 25.190 1.00 0.00 C ATOM 100 NZ LYS A 6 31.854 16.926 25.090 1.00 0.00 N ATOM 0 H LYS A 6 33.074 23.209 27.135 1.00 0.00 H new ATOM 0 HA LYS A 6 34.274 20.532 27.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.112 21.937 25.272 1.00 0.00 H new ATOM 0 HB3 LYS A 6 34.547 20.966 25.005 1.00 0.00 H new ATOM 0 HG2 LYS A 6 31.955 19.951 26.255 1.00 0.00 H new ATOM 0 HG3 LYS A 6 32.437 19.703 24.588 1.00 0.00 H new ATOM 0 HD2 LYS A 6 34.664 18.785 25.940 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.387 18.362 27.063 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.687 17.436 24.183 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.838 16.463 25.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 31.737 15.922 25.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 31.298 17.511 25.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 31.521 17.085 24.118 1.00 0.00 H new ATOM 114 N THR A 7 36.544 21.513 27.712 1.00 0.00 N ATOM 115 CA THR A 7 37.952 21.903 27.545 1.00 0.00 C ATOM 116 C THR A 7 38.519 21.298 26.260 1.00 0.00 C ATOM 117 O THR A 7 37.982 20.305 25.763 1.00 0.00 O ATOM 118 CB THR A 7 38.821 21.519 28.752 1.00 0.00 C ATOM 119 OG1 THR A 7 39.115 20.136 28.747 1.00 0.00 O ATOM 120 CG2 THR A 7 38.182 21.863 30.101 1.00 0.00 C ATOM 0 H THR A 7 36.391 20.753 28.375 1.00 0.00 H new ATOM 0 HA THR A 7 37.977 22.990 27.474 1.00 0.00 H new ATOM 0 HB THR A 7 39.731 22.110 28.645 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.671 19.917 29.524 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.851 21.564 30.908 1.00 0.00 H new ATOM 0 HG22 THR A 7 38.005 22.937 30.156 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.235 21.333 30.200 1.00 0.00 H new ATOM 128 N LEU A 8 39.641 21.828 25.760 1.00 0.00 N ATOM 129 CA LEU A 8 40.404 21.224 24.652 1.00 0.00 C ATOM 130 C LEU A 8 40.761 19.737 24.872 1.00 0.00 C ATOM 131 O LEU A 8 40.905 18.986 23.913 1.00 0.00 O ATOM 132 CB LEU A 8 41.664 22.071 24.357 1.00 0.00 C ATOM 133 CG LEU A 8 42.864 21.911 25.318 1.00 0.00 C ATOM 134 CD1 LEU A 8 44.060 22.696 24.776 1.00 0.00 C ATOM 135 CD2 LEU A 8 42.590 22.417 26.738 1.00 0.00 C ATOM 0 H LEU A 8 40.051 22.693 26.112 1.00 0.00 H new ATOM 0 HA LEU A 8 39.749 21.230 23.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 42.004 21.831 23.349 1.00 0.00 H new ATOM 0 HB3 LEU A 8 41.372 23.121 24.353 1.00 0.00 H new ATOM 0 HG LEU A 8 43.060 20.840 25.374 1.00 0.00 H new ATOM 0 HD11 LEU A 8 44.906 22.583 25.454 1.00 0.00 H new ATOM 0 HD12 LEU A 8 44.330 22.314 23.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 43.797 23.751 24.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 43.478 22.271 27.354 1.00 0.00 H new ATOM 0 HD22 LEU A 8 42.342 23.478 26.705 1.00 0.00 H new ATOM 0 HD23 LEU A 8 41.756 21.862 27.167 1.00 0.00 H new ATOM 147 N THR A 9 40.870 19.299 26.129 1.00 0.00 N ATOM 148 CA THR A 9 41.146 17.906 26.520 1.00 0.00 C ATOM 149 C THR A 9 39.906 17.005 26.429 1.00 0.00 C ATOM 150 O THR A 9 40.042 15.778 26.398 1.00 0.00 O ATOM 151 CB THR A 9 41.698 17.842 27.960 1.00 0.00 C ATOM 152 OG1 THR A 9 42.317 19.052 28.347 1.00 0.00 O ATOM 153 CG2 THR A 9 42.736 16.734 28.132 1.00 0.00 C ATOM 0 H THR A 9 40.766 19.920 26.931 1.00 0.00 H new ATOM 0 HA THR A 9 41.888 17.536 25.812 1.00 0.00 H new ATOM 0 HB THR A 9 40.828 17.644 28.586 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.651 18.970 29.265 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.095 16.728 29.161 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.281 15.771 27.901 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.573 16.912 27.457 1.00 0.00 H new ATOM 161 N GLY A 10 38.701 17.582 26.413 1.00 0.00 N ATOM 162 CA GLY A 10 37.416 16.873 26.386 1.00 0.00 C ATOM 163 C GLY A 10 36.645 16.875 27.715 1.00 0.00 C ATOM 164 O GLY A 10 35.572 16.280 27.783 1.00 0.00 O ATOM 0 H GLY A 10 38.588 18.596 26.419 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.787 17.322 25.618 1.00 0.00 H new ATOM 0 HA3 GLY A 10 37.594 15.840 26.088 1.00 0.00 H new ATOM 168 N LYS A 11 37.138 17.563 28.759 1.00 0.00 N ATOM 169 CA LYS A 11 36.551 17.589 30.112 1.00 0.00 C ATOM 170 C LYS A 11 35.205 18.307 30.071 1.00 0.00 C ATOM 171 O LYS A 11 35.163 19.528 29.965 1.00 0.00 O ATOM 172 CB LYS A 11 37.553 18.211 31.112 1.00 0.00 C ATOM 173 CG LYS A 11 37.087 18.364 32.574 1.00 0.00 C ATOM 174 CD LYS A 11 36.821 17.053 33.342 1.00 0.00 C ATOM 175 CE LYS A 11 35.331 16.899 33.686 1.00 0.00 C ATOM 176 NZ LYS A 11 35.016 15.599 34.336 1.00 0.00 N ATOM 0 H LYS A 11 37.980 18.133 28.684 1.00 0.00 H new ATOM 0 HA LYS A 11 36.357 16.576 30.464 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.457 17.602 31.108 1.00 0.00 H new ATOM 0 HB3 LYS A 11 37.832 19.197 30.741 1.00 0.00 H new ATOM 0 HG2 LYS A 11 37.842 18.933 33.117 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.173 18.958 32.582 1.00 0.00 H new ATOM 0 HD2 LYS A 11 37.147 16.204 32.741 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.411 17.040 34.258 1.00 0.00 H new ATOM 0 HE2 LYS A 11 35.031 17.712 34.347 1.00 0.00 H new ATOM 0 HE3 LYS A 11 34.741 16.995 32.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.998 15.553 34.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.275 14.820 33.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.555 15.514 35.222 1.00 0.00 H new ATOM 190 N THR A 12 34.127 17.529 30.138 1.00 0.00 N ATOM 191 CA THR A 12 32.745 17.983 30.313 1.00 0.00 C ATOM 192 C THR A 12 32.484 18.408 31.752 1.00 0.00 C ATOM 193 O THR A 12 32.580 17.591 32.675 1.00 0.00 O ATOM 194 CB THR A 12 31.712 16.910 29.909 1.00 0.00 C ATOM 195 OG1 THR A 12 32.314 15.633 29.811 1.00 0.00 O ATOM 196 CG2 THR A 12 31.146 17.255 28.538 1.00 0.00 C ATOM 0 H THR A 12 34.195 16.514 30.068 1.00 0.00 H new ATOM 0 HA THR A 12 32.624 18.839 29.649 1.00 0.00 H new ATOM 0 HB THR A 12 30.933 16.889 30.671 1.00 0.00 H new ATOM 0 HG1 THR A 12 32.687 15.379 30.681 1.00 0.00 H new ATOM 0 HG21 THR A 12 30.415 16.501 28.246 1.00 0.00 H new ATOM 0 HG22 THR A 12 30.663 18.231 28.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 31.954 17.280 27.807 1.00 0.00 H new ATOM 204 N ILE A 13 32.151 19.679 31.939 1.00 0.00 N ATOM 205 CA ILE A 13 31.780 20.300 33.219 1.00 0.00 C ATOM 206 C ILE A 13 30.377 20.902 33.105 1.00 0.00 C ATOM 207 O ILE A 13 29.825 20.962 32.011 1.00 0.00 O ATOM 208 CB ILE A 13 32.808 21.384 33.659 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.116 21.382 32.836 1.00 0.00 C ATOM 210 CG2 ILE A 13 33.092 21.212 35.163 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.181 22.383 33.285 1.00 0.00 C ATOM 0 H ILE A 13 32.129 20.345 31.167 1.00 0.00 H new ATOM 0 HA ILE A 13 31.785 19.527 33.987 1.00 0.00 H new ATOM 0 HB ILE A 13 32.361 22.359 33.464 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.546 20.381 32.873 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.869 21.585 31.794 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.811 21.965 35.486 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.165 21.331 35.724 1.00 0.00 H new ATOM 0 HG23 ILE A 13 33.501 20.218 35.345 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.056 22.297 32.640 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.780 23.394 33.220 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.467 22.172 34.315 1.00 0.00 H new ATOM 223 N THR A 14 29.847 21.419 34.215 1.00 0.00 N ATOM 224 CA THR A 14 28.470 21.917 34.359 1.00 0.00 C ATOM 225 C THR A 14 28.462 23.108 35.312 1.00 0.00 C ATOM 226 O THR A 14 29.121 23.053 36.354 1.00 0.00 O ATOM 227 CB THR A 14 27.521 20.845 34.936 1.00 0.00 C ATOM 228 OG1 THR A 14 27.720 19.594 34.327 1.00 0.00 O ATOM 229 CG2 THR A 14 26.051 21.215 34.731 1.00 0.00 C ATOM 0 H THR A 14 30.385 21.508 35.077 1.00 0.00 H new ATOM 0 HA THR A 14 28.121 22.195 33.365 1.00 0.00 H new ATOM 0 HB THR A 14 27.752 20.793 36.000 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.107 19.498 33.568 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.417 20.434 35.151 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.841 22.161 35.230 1.00 0.00 H new ATOM 0 HG23 THR A 14 25.846 21.314 33.665 1.00 0.00 H new ATOM 237 N LEU A 15 27.716 24.159 34.973 1.00 0.00 N ATOM 238 CA LEU A 15 27.528 25.360 35.790 1.00 0.00 C ATOM 239 C LEU A 15 26.086 25.894 35.723 1.00 0.00 C ATOM 240 O LEU A 15 25.369 25.650 34.751 1.00 0.00 O ATOM 241 CB LEU A 15 28.542 26.429 35.325 1.00 0.00 C ATOM 242 CG LEU A 15 29.901 26.378 36.042 1.00 0.00 C ATOM 243 CD1 LEU A 15 30.878 27.360 35.391 1.00 0.00 C ATOM 244 CD2 LEU A 15 29.732 26.741 37.519 1.00 0.00 C ATOM 0 H LEU A 15 27.207 24.200 34.090 1.00 0.00 H new ATOM 0 HA LEU A 15 27.704 25.106 36.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 28.707 26.313 34.254 1.00 0.00 H new ATOM 0 HB3 LEU A 15 28.104 27.416 35.475 1.00 0.00 H new ATOM 0 HG LEU A 15 30.296 25.365 35.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.837 27.315 35.907 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.017 27.094 34.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 30.477 28.371 35.458 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.701 26.701 38.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.322 27.748 37.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.052 26.033 37.992 1.00 0.00 H new ATOM 256 N GLU A 16 25.684 26.659 36.744 1.00 0.00 N ATOM 257 CA GLU A 16 24.403 27.381 36.796 1.00 0.00 C ATOM 258 C GLU A 16 24.623 28.889 36.656 1.00 0.00 C ATOM 259 O GLU A 16 25.381 29.501 37.420 1.00 0.00 O ATOM 260 CB GLU A 16 23.616 27.080 38.084 1.00 0.00 C ATOM 261 CG GLU A 16 22.844 25.754 38.013 1.00 0.00 C ATOM 262 CD GLU A 16 21.631 25.764 38.959 1.00 0.00 C ATOM 263 OE1 GLU A 16 20.644 26.465 38.616 1.00 0.00 O ATOM 264 OE2 GLU A 16 21.679 25.077 40.001 1.00 0.00 O ATOM 0 H GLU A 16 26.253 26.798 37.579 1.00 0.00 H new ATOM 0 HA GLU A 16 23.807 27.027 35.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 24.306 27.049 38.927 1.00 0.00 H new ATOM 0 HB3 GLU A 16 22.916 27.893 38.275 1.00 0.00 H new ATOM 0 HG2 GLU A 16 22.509 25.580 36.990 1.00 0.00 H new ATOM 0 HG3 GLU A 16 23.507 24.930 38.276 1.00 0.00 H new ATOM 271 N VAL A 17 23.950 29.466 35.659 1.00 0.00 N ATOM 272 CA VAL A 17 24.005 30.871 35.230 1.00 0.00 C ATOM 273 C VAL A 17 22.611 31.307 34.747 1.00 0.00 C ATOM 274 O VAL A 17 21.683 30.501 34.707 1.00 0.00 O ATOM 275 CB VAL A 17 25.064 31.060 34.119 1.00 0.00 C ATOM 276 CG1 VAL A 17 26.451 30.587 34.575 1.00 0.00 C ATOM 277 CG2 VAL A 17 24.704 30.332 32.820 1.00 0.00 C ATOM 0 H VAL A 17 23.303 28.926 35.085 1.00 0.00 H new ATOM 0 HA VAL A 17 24.299 31.497 36.072 1.00 0.00 H new ATOM 0 HB VAL A 17 25.083 32.132 33.921 1.00 0.00 H new ATOM 0 HG11 VAL A 17 27.169 30.735 33.769 1.00 0.00 H new ATOM 0 HG12 VAL A 17 26.762 31.161 35.448 1.00 0.00 H new ATOM 0 HG13 VAL A 17 26.408 29.529 34.833 1.00 0.00 H new ATOM 0 HG21 VAL A 17 25.485 30.502 32.079 1.00 0.00 H new ATOM 0 HG22 VAL A 17 24.615 29.263 33.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.755 30.712 32.441 1.00 0.00 H new ATOM 287 N GLU A 18 22.455 32.563 34.340 1.00 0.00 N ATOM 288 CA GLU A 18 21.199 33.126 33.822 1.00 0.00 C ATOM 289 C GLU A 18 21.427 33.783 32.447 1.00 0.00 C ATOM 290 O GLU A 18 22.527 34.264 32.183 1.00 0.00 O ATOM 291 CB GLU A 18 20.527 34.062 34.861 1.00 0.00 C ATOM 292 CG GLU A 18 21.442 35.002 35.673 1.00 0.00 C ATOM 293 CD GLU A 18 20.668 35.817 36.725 1.00 0.00 C ATOM 294 OE1 GLU A 18 19.938 36.745 36.300 1.00 0.00 O ATOM 295 OE2 GLU A 18 20.797 35.531 37.947 1.00 0.00 O ATOM 0 H GLU A 18 23.216 33.241 34.359 1.00 0.00 H new ATOM 0 HA GLU A 18 20.487 32.317 33.660 1.00 0.00 H new ATOM 0 HB2 GLU A 18 19.795 34.676 34.336 1.00 0.00 H new ATOM 0 HB3 GLU A 18 19.974 33.440 35.565 1.00 0.00 H new ATOM 0 HG2 GLU A 18 22.213 34.413 36.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 21.951 35.684 34.993 1.00 0.00 H new ATOM 302 N PRO A 19 20.424 33.840 31.544 1.00 0.00 N ATOM 303 CA PRO A 19 20.567 34.500 30.235 1.00 0.00 C ATOM 304 C PRO A 19 20.911 36.000 30.348 1.00 0.00 C ATOM 305 O PRO A 19 21.350 36.615 29.377 1.00 0.00 O ATOM 306 CB PRO A 19 19.225 34.280 29.523 1.00 0.00 C ATOM 307 CG PRO A 19 18.232 34.088 30.670 1.00 0.00 C ATOM 308 CD PRO A 19 19.065 33.353 31.715 1.00 0.00 C ATOM 0 HA PRO A 19 21.403 34.075 29.679 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.957 35.134 28.901 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.256 33.407 28.871 1.00 0.00 H new ATOM 0 HG2 PRO A 19 17.859 35.041 31.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 17.364 33.505 30.361 1.00 0.00 H new ATOM 0 HD2 PRO A 19 18.699 33.556 32.722 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.014 32.274 31.569 1.00 0.00 H new ATOM 316 N SER A 20 20.720 36.565 31.539 1.00 0.00 N ATOM 317 CA SER A 20 20.980 37.945 31.945 1.00 0.00 C ATOM 318 C SER A 20 22.344 38.148 32.625 1.00 0.00 C ATOM 319 O SER A 20 22.699 39.289 32.923 1.00 0.00 O ATOM 320 CB SER A 20 19.840 38.386 32.889 1.00 0.00 C ATOM 321 OG SER A 20 19.355 37.301 33.683 1.00 0.00 O ATOM 0 H SER A 20 20.345 36.019 32.315 1.00 0.00 H new ATOM 0 HA SER A 20 21.014 38.557 31.044 1.00 0.00 H new ATOM 0 HB2 SER A 20 20.197 39.182 33.542 1.00 0.00 H new ATOM 0 HB3 SER A 20 19.021 38.800 32.301 1.00 0.00 H new ATOM 0 HG SER A 20 19.737 37.358 34.584 1.00 0.00 H new ATOM 327 N ASP A 21 23.107 37.077 32.873 1.00 0.00 N ATOM 328 CA ASP A 21 24.415 37.128 33.543 1.00 0.00 C ATOM 329 C ASP A 21 25.498 37.694 32.600 1.00 0.00 C ATOM 330 O ASP A 21 25.427 37.555 31.368 1.00 0.00 O ATOM 331 CB ASP A 21 24.793 35.722 34.079 1.00 0.00 C ATOM 332 CG ASP A 21 25.440 35.663 35.477 1.00 0.00 C ATOM 333 OD1 ASP A 21 25.485 36.697 36.183 1.00 0.00 O ATOM 334 OD2 ASP A 21 25.857 34.543 35.862 1.00 0.00 O ATOM 0 H ASP A 21 22.829 36.132 32.609 1.00 0.00 H new ATOM 0 HA ASP A 21 24.349 37.806 34.394 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.891 35.111 34.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.478 35.260 33.368 1.00 0.00 H new ATOM 339 N THR A 22 26.513 38.340 33.145 1.00 0.00 N ATOM 340 CA THR A 22 27.646 38.896 32.404 1.00 0.00 C ATOM 341 C THR A 22 28.697 37.836 32.083 1.00 0.00 C ATOM 342 O THR A 22 28.887 36.869 32.824 1.00 0.00 O ATOM 343 CB THR A 22 28.317 40.072 33.128 1.00 0.00 C ATOM 344 OG1 THR A 22 28.552 39.725 34.468 1.00 0.00 O ATOM 345 CG2 THR A 22 27.455 41.331 33.069 1.00 0.00 C ATOM 0 H THR A 22 26.580 38.501 34.150 1.00 0.00 H new ATOM 0 HA THR A 22 27.220 39.270 31.473 1.00 0.00 H new ATOM 0 HB THR A 22 29.260 40.285 32.626 1.00 0.00 H new ATOM 0 HG1 THR A 22 28.982 40.475 34.930 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.961 42.143 33.591 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.294 41.613 32.029 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.494 41.137 33.545 1.00 0.00 H new ATOM 353 N ILE A 23 29.441 38.042 30.990 1.00 0.00 N ATOM 354 CA ILE A 23 30.515 37.130 30.569 1.00 0.00 C ATOM 355 C ILE A 23 31.562 36.907 31.684 1.00 0.00 C ATOM 356 O ILE A 23 31.982 35.763 31.884 1.00 0.00 O ATOM 357 CB ILE A 23 31.133 37.630 29.240 1.00 0.00 C ATOM 358 CG1 ILE A 23 30.118 37.691 28.068 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.321 36.758 28.823 1.00 0.00 C ATOM 360 CD1 ILE A 23 29.462 36.366 27.663 1.00 0.00 C ATOM 0 H ILE A 23 29.317 38.844 30.372 1.00 0.00 H new ATOM 0 HA ILE A 23 30.088 36.144 30.385 1.00 0.00 H new ATOM 0 HB ILE A 23 31.464 38.648 29.442 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.330 38.395 28.335 1.00 0.00 H new ATOM 0 HG13 ILE A 23 30.628 38.100 27.196 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.736 37.132 27.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.087 36.792 29.598 1.00 0.00 H new ATOM 0 HG23 ILE A 23 31.987 35.729 28.687 1.00 0.00 H new ATOM 0 HD11 ILE A 23 28.774 36.539 26.835 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.231 35.658 27.354 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.913 35.957 28.511 1.00 0.00 H new ATOM 372 N GLU A 24 31.915 37.935 32.475 1.00 0.00 N ATOM 373 CA GLU A 24 32.843 37.762 33.606 1.00 0.00 C ATOM 374 C GLU A 24 32.247 36.876 34.720 1.00 0.00 C ATOM 375 O GLU A 24 32.907 35.953 35.188 1.00 0.00 O ATOM 376 CB GLU A 24 33.392 39.094 34.163 1.00 0.00 C ATOM 377 CG GLU A 24 34.481 38.782 35.214 1.00 0.00 C ATOM 378 CD GLU A 24 35.293 39.992 35.717 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.797 40.696 36.630 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.458 40.164 35.272 1.00 0.00 O ATOM 0 H GLU A 24 31.574 38.889 32.353 1.00 0.00 H new ATOM 0 HA GLU A 24 33.704 37.234 33.196 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.808 39.698 33.356 1.00 0.00 H new ATOM 0 HB3 GLU A 24 32.587 39.675 34.614 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.006 38.305 36.071 1.00 0.00 H new ATOM 0 HG3 GLU A 24 35.173 38.055 34.788 1.00 0.00 H new ATOM 387 N ASN A 25 30.993 37.083 35.124 1.00 0.00 N ATOM 388 CA ASN A 25 30.322 36.248 36.132 1.00 0.00 C ATOM 389 C ASN A 25 30.230 34.772 35.712 1.00 0.00 C ATOM 390 O ASN A 25 30.469 33.873 36.521 1.00 0.00 O ATOM 391 CB ASN A 25 28.931 36.836 36.403 1.00 0.00 C ATOM 392 CG ASN A 25 28.957 37.816 37.558 1.00 0.00 C ATOM 393 OD1 ASN A 25 29.187 39.002 37.409 1.00 0.00 O ATOM 394 ND2 ASN A 25 28.818 37.329 38.770 1.00 0.00 N ATOM 0 H ASN A 25 30.408 37.836 34.762 1.00 0.00 H new ATOM 0 HA ASN A 25 30.918 36.259 37.045 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.566 37.338 35.507 1.00 0.00 H new ATOM 0 HB3 ASN A 25 28.231 36.030 36.624 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.903 37.944 39.579 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.625 36.336 38.902 1.00 0.00 H new ATOM 401 N VAL A 26 29.959 34.517 34.432 1.00 0.00 N ATOM 402 CA VAL A 26 29.879 33.162 33.867 1.00 0.00 C ATOM 403 C VAL A 26 31.253 32.491 33.837 1.00 0.00 C ATOM 404 O VAL A 26 31.377 31.335 34.250 1.00 0.00 O ATOM 405 CB VAL A 26 29.219 33.223 32.478 1.00 0.00 C ATOM 406 CG1 VAL A 26 29.231 31.873 31.744 1.00 0.00 C ATOM 407 CG2 VAL A 26 27.772 33.691 32.657 1.00 0.00 C ATOM 0 H VAL A 26 29.786 35.252 33.746 1.00 0.00 H new ATOM 0 HA VAL A 26 29.255 32.539 34.508 1.00 0.00 H new ATOM 0 HB VAL A 26 29.794 33.916 31.865 1.00 0.00 H new ATOM 0 HG11 VAL A 26 28.751 31.983 30.772 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.261 31.543 31.605 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.690 31.133 32.334 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.283 33.742 31.684 1.00 0.00 H new ATOM 0 HG22 VAL A 26 27.238 32.987 33.295 1.00 0.00 H new ATOM 0 HG23 VAL A 26 27.763 34.678 33.120 1.00 0.00 H new ATOM 417 N LYS A 27 32.309 33.210 33.429 1.00 0.00 N ATOM 418 CA LYS A 27 33.687 32.681 33.444 1.00 0.00 C ATOM 419 C LYS A 27 34.312 32.638 34.849 1.00 0.00 C ATOM 420 O LYS A 27 35.272 31.901 35.053 1.00 0.00 O ATOM 421 CB LYS A 27 34.566 33.405 32.402 1.00 0.00 C ATOM 422 CG LYS A 27 35.076 34.764 32.892 1.00 0.00 C ATOM 423 CD LYS A 27 35.686 35.706 31.841 1.00 0.00 C ATOM 424 CE LYS A 27 36.910 35.129 31.120 1.00 0.00 C ATOM 425 NZ LYS A 27 37.825 36.212 30.668 1.00 0.00 N ATOM 0 H LYS A 27 32.237 34.166 33.082 1.00 0.00 H new ATOM 0 HA LYS A 27 33.632 31.634 33.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.417 32.773 32.150 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.992 33.547 31.486 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.246 35.284 33.370 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.827 34.586 33.662 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.924 35.950 31.101 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.970 36.640 32.326 1.00 0.00 H new ATOM 0 HE2 LYS A 27 37.444 34.453 31.788 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.586 34.540 30.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 38.645 35.794 30.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.320 36.842 30.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 38.151 36.757 31.491 1.00 0.00 H new ATOM 439 N ALA A 28 33.772 33.373 35.822 1.00 0.00 N ATOM 440 CA ALA A 28 34.278 33.400 37.197 1.00 0.00 C ATOM 441 C ALA A 28 33.997 32.075 37.920 1.00 0.00 C ATOM 442 O ALA A 28 34.883 31.505 38.558 1.00 0.00 O ATOM 443 CB ALA A 28 33.654 34.592 37.938 1.00 0.00 C ATOM 0 H ALA A 28 32.961 33.974 35.677 1.00 0.00 H new ATOM 0 HA ALA A 28 35.361 33.522 37.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 34.026 34.619 38.962 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.924 35.518 37.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.569 34.486 37.948 1.00 0.00 H new ATOM 449 N LYS A 29 32.788 31.527 37.733 1.00 0.00 N ATOM 450 CA LYS A 29 32.339 30.273 38.359 1.00 0.00 C ATOM 451 C LYS A 29 33.163 29.047 37.925 1.00 0.00 C ATOM 452 O LYS A 29 33.103 28.006 38.573 1.00 0.00 O ATOM 453 CB LYS A 29 30.853 30.064 38.035 1.00 0.00 C ATOM 454 CG LYS A 29 29.879 31.136 38.556 1.00 0.00 C ATOM 455 CD LYS A 29 28.573 31.086 37.743 1.00 0.00 C ATOM 456 CE LYS A 29 27.465 31.984 38.310 1.00 0.00 C ATOM 457 NZ LYS A 29 26.606 31.256 39.276 1.00 0.00 N ATOM 0 H LYS A 29 32.081 31.950 37.132 1.00 0.00 H new ATOM 0 HA LYS A 29 32.489 30.367 39.435 1.00 0.00 H new ATOM 0 HB2 LYS A 29 30.745 30.003 36.952 1.00 0.00 H new ATOM 0 HB3 LYS A 29 30.548 29.100 38.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 29.668 30.968 39.612 1.00 0.00 H new ATOM 0 HG3 LYS A 29 30.332 32.124 38.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 28.782 31.385 36.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.214 30.057 37.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 27.913 32.848 38.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.852 32.364 37.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.958 31.926 39.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 26.055 30.531 38.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 27.202 30.800 39.996 1.00 0.00 H new ATOM 471 N ILE A 30 33.963 29.159 36.856 1.00 0.00 N ATOM 472 CA ILE A 30 34.887 28.108 36.399 1.00 0.00 C ATOM 473 C ILE A 30 35.931 27.780 37.485 1.00 0.00 C ATOM 474 O ILE A 30 36.275 26.611 37.668 1.00 0.00 O ATOM 475 CB ILE A 30 35.579 28.524 35.072 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.548 28.835 33.957 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.553 27.429 34.586 1.00 0.00 C ATOM 478 CD1 ILE A 30 35.165 29.460 32.696 1.00 0.00 C ATOM 0 H ILE A 30 33.988 29.996 36.274 1.00 0.00 H new ATOM 0 HA ILE A 30 34.306 27.205 36.211 1.00 0.00 H new ATOM 0 HB ILE A 30 36.141 29.434 35.283 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.037 27.913 33.681 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.792 29.512 34.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.023 27.747 33.655 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.321 27.263 35.342 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.004 26.503 34.417 1.00 0.00 H new ATOM 0 HD11 ILE A 30 34.381 29.648 31.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 35.652 30.400 32.957 1.00 0.00 H new ATOM 0 HD13 ILE A 30 35.901 28.776 32.273 1.00 0.00 H new ATOM 490 N GLN A 31 36.398 28.786 38.238 1.00 0.00 N ATOM 491 CA GLN A 31 37.368 28.579 39.321 1.00 0.00 C ATOM 492 C GLN A 31 36.747 27.788 40.486 1.00 0.00 C ATOM 493 O GLN A 31 37.368 26.872 41.011 1.00 0.00 O ATOM 494 CB GLN A 31 37.907 29.938 39.803 1.00 0.00 C ATOM 495 CG GLN A 31 39.191 29.751 40.632 1.00 0.00 C ATOM 496 CD GLN A 31 39.539 30.940 41.526 1.00 0.00 C ATOM 497 OE1 GLN A 31 39.932 30.790 42.668 1.00 0.00 O ATOM 498 NE2 GLN A 31 39.436 32.165 41.056 1.00 0.00 N ATOM 0 H GLN A 31 36.116 29.759 38.115 1.00 0.00 H new ATOM 0 HA GLN A 31 38.197 27.987 38.935 1.00 0.00 H new ATOM 0 HB2 GLN A 31 38.112 30.578 38.945 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.150 30.443 40.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.082 28.863 41.254 1.00 0.00 H new ATOM 0 HG3 GLN A 31 40.024 29.565 39.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 39.109 32.319 40.102 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.683 32.960 41.646 1.00 0.00 H new ATOM 507 N ASP A 32 35.502 28.096 40.847 1.00 0.00 N ATOM 508 CA ASP A 32 34.748 27.385 41.892 1.00 0.00 C ATOM 509 C ASP A 32 34.415 25.922 41.514 1.00 0.00 C ATOM 510 O ASP A 32 34.258 25.084 42.401 1.00 0.00 O ATOM 511 CB ASP A 32 33.464 28.184 42.217 1.00 0.00 C ATOM 512 CG ASP A 32 33.454 28.912 43.573 1.00 0.00 C ATOM 513 OD1 ASP A 32 34.480 28.908 44.295 1.00 0.00 O ATOM 514 OD2 ASP A 32 32.392 29.506 43.862 1.00 0.00 O ATOM 0 H ASP A 32 34.976 28.858 40.418 1.00 0.00 H new ATOM 0 HA ASP A 32 35.382 27.321 42.777 1.00 0.00 H new ATOM 0 HB2 ASP A 32 33.308 28.921 41.429 1.00 0.00 H new ATOM 0 HB3 ASP A 32 32.616 27.500 42.187 1.00 0.00 H new ATOM 519 N LYS A 33 34.322 25.589 40.214 1.00 0.00 N ATOM 520 CA LYS A 33 33.990 24.234 39.724 1.00 0.00 C ATOM 521 C LYS A 33 35.157 23.317 39.370 1.00 0.00 C ATOM 522 O LYS A 33 34.979 22.100 39.464 1.00 0.00 O ATOM 523 CB LYS A 33 33.032 24.330 38.524 1.00 0.00 C ATOM 524 CG LYS A 33 31.573 24.133 38.942 1.00 0.00 C ATOM 525 CD LYS A 33 31.238 22.730 39.487 1.00 0.00 C ATOM 526 CE LYS A 33 31.389 21.639 38.414 1.00 0.00 C ATOM 527 NZ LYS A 33 32.312 20.543 38.824 1.00 0.00 N ATOM 0 H LYS A 33 34.477 26.261 39.462 1.00 0.00 H new ATOM 0 HA LYS A 33 33.525 23.755 40.586 1.00 0.00 H new ATOM 0 HB2 LYS A 33 33.145 25.303 38.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 33.302 23.578 37.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 31.326 24.872 39.704 1.00 0.00 H new ATOM 0 HG3 LYS A 33 30.934 24.335 38.083 1.00 0.00 H new ATOM 0 HD2 LYS A 33 31.893 22.503 40.328 1.00 0.00 H new ATOM 0 HD3 LYS A 33 30.217 22.724 39.867 1.00 0.00 H new ATOM 0 HE2 LYS A 33 30.409 21.217 38.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 31.757 22.091 37.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 32.427 19.873 38.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 33.238 20.945 39.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 31.916 20.045 39.647 1.00 0.00 H new ATOM 541 N GLU A 34 36.260 23.888 38.890 1.00 0.00 N ATOM 542 CA GLU A 34 37.478 23.150 38.494 1.00 0.00 C ATOM 543 C GLU A 34 38.707 23.588 39.312 1.00 0.00 C ATOM 544 O GLU A 34 39.359 22.759 39.942 1.00 0.00 O ATOM 545 CB GLU A 34 37.715 23.302 36.976 1.00 0.00 C ATOM 546 CG GLU A 34 38.615 22.211 36.356 1.00 0.00 C ATOM 547 CD GLU A 34 38.042 20.774 36.354 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.805 20.610 36.467 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.853 19.821 36.235 1.00 0.00 O ATOM 0 H GLU A 34 36.343 24.896 38.759 1.00 0.00 H new ATOM 0 HA GLU A 34 37.325 22.094 38.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.751 23.292 36.468 1.00 0.00 H new ATOM 0 HB3 GLU A 34 38.165 24.277 36.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.836 22.493 35.327 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.563 22.201 36.895 1.00 0.00 H new ATOM 556 N GLY A 35 39.008 24.892 39.299 1.00 0.00 N ATOM 557 CA GLY A 35 40.075 25.517 40.102 1.00 0.00 C ATOM 558 C GLY A 35 40.930 26.558 39.371 1.00 0.00 C ATOM 559 O GLY A 35 41.756 27.219 40.000 1.00 0.00 O ATOM 0 H GLY A 35 38.506 25.562 38.716 1.00 0.00 H new ATOM 0 HA2 GLY A 35 39.620 25.992 40.971 1.00 0.00 H new ATOM 0 HA3 GLY A 35 40.732 24.731 40.476 1.00 0.00 H new ATOM 563 N ILE A 36 40.755 26.712 38.052 1.00 0.00 N ATOM 564 CA ILE A 36 41.594 27.587 37.214 1.00 0.00 C ATOM 565 C ILE A 36 40.922 28.957 36.978 1.00 0.00 C ATOM 566 O ILE A 36 39.769 28.990 36.537 1.00 0.00 O ATOM 567 CB ILE A 36 41.940 26.898 35.876 1.00 0.00 C ATOM 568 CG1 ILE A 36 42.507 25.467 36.036 1.00 0.00 C ATOM 569 CG2 ILE A 36 42.957 27.742 35.089 1.00 0.00 C ATOM 570 CD1 ILE A 36 41.433 24.386 35.866 1.00 0.00 C ATOM 0 H ILE A 36 40.023 26.231 37.530 1.00 0.00 H new ATOM 0 HA ILE A 36 42.525 27.769 37.751 1.00 0.00 H new ATOM 0 HB ILE A 36 40.996 26.816 35.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 43.296 25.309 35.301 1.00 0.00 H new ATOM 0 HG13 ILE A 36 42.964 25.369 37.021 1.00 0.00 H new ATOM 0 HG21 ILE A 36 43.192 27.245 34.148 1.00 0.00 H new ATOM 0 HG22 ILE A 36 42.533 28.725 34.884 1.00 0.00 H new ATOM 0 HG23 ILE A 36 43.868 27.855 35.677 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.885 23.402 35.988 1.00 0.00 H new ATOM 0 HD12 ILE A 36 40.656 24.524 36.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.994 24.463 34.871 1.00 0.00 H new ATOM 582 N PRO A 37 41.615 30.089 37.216 1.00 0.00 N ATOM 583 CA PRO A 37 41.068 31.436 37.033 1.00 0.00 C ATOM 584 C PRO A 37 40.957 31.886 35.556 1.00 0.00 C ATOM 585 O PRO A 37 41.650 31.363 34.676 1.00 0.00 O ATOM 586 CB PRO A 37 42.007 32.354 37.830 1.00 0.00 C ATOM 587 CG PRO A 37 43.348 31.634 37.734 1.00 0.00 C ATOM 588 CD PRO A 37 42.941 30.171 37.818 1.00 0.00 C ATOM 0 HA PRO A 37 40.037 31.471 37.384 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.054 33.355 37.401 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.681 32.466 38.864 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.864 31.859 36.801 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.019 31.916 38.545 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.651 29.537 37.287 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.922 29.830 38.853 1.00 0.00 H new ATOM 596 N PRO A 38 40.146 32.927 35.270 1.00 0.00 N ATOM 597 CA PRO A 38 39.932 33.483 33.924 1.00 0.00 C ATOM 598 C PRO A 38 41.103 34.289 33.327 1.00 0.00 C ATOM 599 O PRO A 38 40.939 34.860 32.249 1.00 0.00 O ATOM 600 CB PRO A 38 38.687 34.360 34.074 1.00 0.00 C ATOM 601 CG PRO A 38 38.759 34.852 35.515 1.00 0.00 C ATOM 602 CD PRO A 38 39.286 33.615 36.231 1.00 0.00 C ATOM 0 HA PRO A 38 39.828 32.665 33.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.695 35.190 33.367 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.774 33.793 33.890 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.428 35.706 35.624 1.00 0.00 H new ATOM 0 HG3 PRO A 38 37.784 35.161 35.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 39.844 33.891 37.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 38.467 32.971 36.552 1.00 0.00 H new ATOM 610 N ASP A 39 42.257 34.340 34.001 1.00 0.00 N ATOM 611 CA ASP A 39 43.538 34.769 33.409 1.00 0.00 C ATOM 612 C ASP A 39 44.285 33.600 32.740 1.00 0.00 C ATOM 613 O ASP A 39 44.895 33.758 31.680 1.00 0.00 O ATOM 614 CB ASP A 39 44.440 35.402 34.483 1.00 0.00 C ATOM 615 CG ASP A 39 45.637 36.113 33.832 1.00 0.00 C ATOM 616 OD1 ASP A 39 45.440 37.184 33.216 1.00 0.00 O ATOM 617 OD2 ASP A 39 46.767 35.577 33.884 1.00 0.00 O ATOM 0 H ASP A 39 42.333 34.082 34.985 1.00 0.00 H new ATOM 0 HA ASP A 39 43.304 35.506 32.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.865 36.114 35.075 1.00 0.00 H new ATOM 0 HB3 ASP A 39 44.796 34.632 35.167 1.00 0.00 H new ATOM 622 N GLN A 40 44.207 32.409 33.340 1.00 0.00 N ATOM 623 CA GLN A 40 44.877 31.202 32.856 1.00 0.00 C ATOM 624 C GLN A 40 44.128 30.569 31.677 1.00 0.00 C ATOM 625 O GLN A 40 44.773 29.987 30.798 1.00 0.00 O ATOM 626 CB GLN A 40 45.012 30.208 34.020 1.00 0.00 C ATOM 627 CG GLN A 40 46.280 30.411 34.862 1.00 0.00 C ATOM 628 CD GLN A 40 47.407 29.498 34.394 1.00 0.00 C ATOM 629 OE1 GLN A 40 47.710 28.477 34.985 1.00 0.00 O ATOM 630 NE2 GLN A 40 48.044 29.780 33.281 1.00 0.00 N ATOM 0 H GLN A 40 43.666 32.255 34.191 1.00 0.00 H new ATOM 0 HA GLN A 40 45.867 31.472 32.488 1.00 0.00 H new ATOM 0 HB2 GLN A 40 44.139 30.299 34.666 1.00 0.00 H new ATOM 0 HB3 GLN A 40 45.010 29.193 33.622 1.00 0.00 H new ATOM 0 HG2 GLN A 40 46.600 31.451 34.796 1.00 0.00 H new ATOM 0 HG3 GLN A 40 46.059 30.211 35.910 1.00 0.00 H new ATOM 0 HE21 GLN A 40 47.814 30.628 32.762 1.00 0.00 H new ATOM 0 HE22 GLN A 40 48.769 29.151 32.935 1.00 0.00 H new ATOM 639 N ASN A 41 42.801 30.709 31.617 1.00 0.00 N ATOM 640 CA ASN A 41 41.988 30.301 30.493 1.00 0.00 C ATOM 641 C ASN A 41 41.335 31.494 29.779 1.00 0.00 C ATOM 642 O ASN A 41 41.240 32.594 30.317 1.00 0.00 O ATOM 643 CB ASN A 41 40.911 29.373 31.028 1.00 0.00 C ATOM 644 CG ASN A 41 41.441 28.116 31.680 1.00 0.00 C ATOM 645 OD1 ASN A 41 42.360 27.477 31.208 1.00 0.00 O ATOM 646 ND2 ASN A 41 40.845 27.693 32.767 1.00 0.00 N ATOM 0 H ASN A 41 42.258 31.122 32.375 1.00 0.00 H new ATOM 0 HA ASN A 41 42.621 29.805 29.757 1.00 0.00 H new ATOM 0 HB2 ASN A 41 40.306 29.917 31.753 1.00 0.00 H new ATOM 0 HB3 ASN A 41 40.250 29.092 30.208 1.00 0.00 H new ATOM 0 HD21 ASN A 41 41.153 26.830 33.214 1.00 0.00 H new ATOM 0 HD22 ASN A 41 40.073 28.227 33.166 1.00 0.00 H new ATOM 653 N ARG A 42 40.800 31.256 28.580 1.00 0.00 N ATOM 654 CA ARG A 42 40.014 32.223 27.795 1.00 0.00 C ATOM 655 C ARG A 42 38.596 31.689 27.575 1.00 0.00 C ATOM 656 O ARG A 42 38.248 30.619 28.069 1.00 0.00 O ATOM 657 CB ARG A 42 40.741 32.543 26.473 1.00 0.00 C ATOM 658 CG ARG A 42 42.207 32.984 26.634 1.00 0.00 C ATOM 659 CD ARG A 42 42.441 34.273 27.450 1.00 0.00 C ATOM 660 NE ARG A 42 41.731 35.467 26.926 1.00 0.00 N ATOM 661 CZ ARG A 42 42.099 36.292 25.954 1.00 0.00 C ATOM 662 NH1 ARG A 42 43.163 36.103 25.224 1.00 0.00 N ATOM 663 NH2 ARG A 42 41.389 37.353 25.692 1.00 0.00 N ATOM 0 H ARG A 42 40.903 30.357 28.109 1.00 0.00 H new ATOM 0 HA ARG A 42 39.921 33.160 28.344 1.00 0.00 H new ATOM 0 HB2 ARG A 42 40.710 31.660 25.834 1.00 0.00 H new ATOM 0 HB3 ARG A 42 40.194 33.331 25.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 42.760 32.173 27.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 42.635 33.124 25.641 1.00 0.00 H new ATOM 0 HD2 ARG A 42 42.125 34.100 28.479 1.00 0.00 H new ATOM 0 HD3 ARG A 42 43.510 34.483 27.476 1.00 0.00 H new ATOM 0 HE ARG A 42 40.840 35.682 27.374 1.00 0.00 H new ATOM 0 HH11 ARG A 42 43.757 35.290 25.389 1.00 0.00 H new ATOM 0 HH12 ARG A 42 43.402 36.768 24.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 40.548 37.551 26.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 41.674 37.986 24.944 1.00 0.00 H new ATOM 677 N LEU A 43 37.789 32.439 26.826 1.00 0.00 N ATOM 678 CA LEU A 43 36.434 32.060 26.429 1.00 0.00 C ATOM 679 C LEU A 43 36.284 32.138 24.905 1.00 0.00 C ATOM 680 O LEU A 43 36.726 33.114 24.301 1.00 0.00 O ATOM 681 CB LEU A 43 35.413 33.008 27.088 1.00 0.00 C ATOM 682 CG LEU A 43 34.696 32.481 28.339 1.00 0.00 C ATOM 683 CD1 LEU A 43 33.744 33.576 28.814 1.00 0.00 C ATOM 684 CD2 LEU A 43 33.864 31.235 28.034 1.00 0.00 C ATOM 0 H LEU A 43 38.068 33.353 26.469 1.00 0.00 H new ATOM 0 HA LEU A 43 36.250 31.036 26.755 1.00 0.00 H new ATOM 0 HB2 LEU A 43 35.927 33.932 27.353 1.00 0.00 H new ATOM 0 HB3 LEU A 43 34.658 33.266 26.345 1.00 0.00 H new ATOM 0 HG LEU A 43 35.443 32.219 29.089 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.215 33.237 29.704 1.00 0.00 H new ATOM 0 HD12 LEU A 43 34.313 34.475 29.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 33.024 33.799 28.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.373 30.893 28.945 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.111 31.475 27.284 1.00 0.00 H new ATOM 0 HD23 LEU A 43 34.515 30.447 27.655 1.00 0.00 H new ATOM 696 N ILE A 44 35.626 31.141 24.323 1.00 0.00 N ATOM 697 CA ILE A 44 35.268 31.105 22.887 1.00 0.00 C ATOM 698 C ILE A 44 33.871 30.489 22.733 1.00 0.00 C ATOM 699 O ILE A 44 33.505 29.563 23.463 1.00 0.00 O ATOM 700 CB ILE A 44 36.333 30.369 22.027 1.00 0.00 C ATOM 701 CG1 ILE A 44 37.777 30.739 22.451 1.00 0.00 C ATOM 702 CG2 ILE A 44 36.132 30.637 20.522 1.00 0.00 C ATOM 703 CD1 ILE A 44 38.903 30.116 21.627 1.00 0.00 C ATOM 0 H ILE A 44 35.316 30.315 24.835 1.00 0.00 H new ATOM 0 HA ILE A 44 35.248 32.126 22.507 1.00 0.00 H new ATOM 0 HB ILE A 44 36.193 29.303 22.206 1.00 0.00 H new ATOM 0 HG12 ILE A 44 37.880 31.823 22.407 1.00 0.00 H new ATOM 0 HG13 ILE A 44 37.913 30.448 23.493 1.00 0.00 H new ATOM 0 HG21 ILE A 44 36.895 30.106 19.953 1.00 0.00 H new ATOM 0 HG22 ILE A 44 35.145 30.288 20.219 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.214 31.707 20.329 1.00 0.00 H new ATOM 0 HD11 ILE A 44 39.865 30.447 22.017 1.00 0.00 H new ATOM 0 HD12 ILE A 44 38.841 29.030 21.689 1.00 0.00 H new ATOM 0 HD13 ILE A 44 38.807 30.426 20.586 1.00 0.00 H new ATOM 715 N PHE A 45 33.099 30.983 21.771 1.00 0.00 N ATOM 716 CA PHE A 45 31.844 30.406 21.309 1.00 0.00 C ATOM 717 C PHE A 45 31.742 30.613 19.797 1.00 0.00 C ATOM 718 O PHE A 45 32.100 31.678 19.305 1.00 0.00 O ATOM 719 CB PHE A 45 30.671 31.070 22.038 1.00 0.00 C ATOM 720 CG PHE A 45 29.444 30.197 22.118 1.00 0.00 C ATOM 721 CD1 PHE A 45 29.472 29.044 22.921 1.00 0.00 C ATOM 722 CD2 PHE A 45 28.276 30.533 21.408 1.00 0.00 C ATOM 723 CE1 PHE A 45 28.334 28.229 23.023 1.00 0.00 C ATOM 724 CE2 PHE A 45 27.136 29.717 21.514 1.00 0.00 C ATOM 725 CZ PHE A 45 27.162 28.568 22.324 1.00 0.00 C ATOM 0 H PHE A 45 33.344 31.837 21.269 1.00 0.00 H new ATOM 0 HA PHE A 45 31.811 29.338 21.526 1.00 0.00 H new ATOM 0 HB2 PHE A 45 30.984 31.337 23.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 30.415 31.999 21.528 1.00 0.00 H new ATOM 0 HD1 PHE A 45 30.371 28.785 23.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 28.256 31.414 20.784 1.00 0.00 H new ATOM 0 HE1 PHE A 45 28.358 27.342 23.638 1.00 0.00 H new ATOM 0 HE2 PHE A 45 26.238 29.973 20.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 26.283 27.947 22.409 1.00 0.00 H new ATOM 735 N ALA A 46 31.303 29.598 19.052 1.00 0.00 N ATOM 736 CA ALA A 46 31.099 29.663 17.595 1.00 0.00 C ATOM 737 C ALA A 46 32.273 30.305 16.798 1.00 0.00 C ATOM 738 O ALA A 46 32.065 31.102 15.888 1.00 0.00 O ATOM 739 CB ALA A 46 29.732 30.314 17.331 1.00 0.00 C ATOM 0 H ALA A 46 31.073 28.687 19.448 1.00 0.00 H new ATOM 0 HA ALA A 46 31.095 28.646 17.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 29.559 30.373 16.257 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.948 29.714 17.793 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.719 31.318 17.756 1.00 0.00 H new ATOM 745 N GLY A 47 33.526 29.993 17.164 1.00 0.00 N ATOM 746 CA GLY A 47 34.735 30.559 16.537 1.00 0.00 C ATOM 747 C GLY A 47 35.127 31.988 16.958 1.00 0.00 C ATOM 748 O GLY A 47 36.174 32.476 16.520 1.00 0.00 O ATOM 0 H GLY A 47 33.733 29.332 17.913 1.00 0.00 H new ATOM 0 HA2 GLY A 47 35.573 29.898 16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 47 34.595 30.549 15.456 1.00 0.00 H new ATOM 752 N LYS A 48 34.346 32.639 17.832 1.00 0.00 N ATOM 753 CA LYS A 48 34.531 34.015 18.328 1.00 0.00 C ATOM 754 C LYS A 48 34.958 33.990 19.790 1.00 0.00 C ATOM 755 O LYS A 48 34.324 33.337 20.617 1.00 0.00 O ATOM 756 CB LYS A 48 33.211 34.809 18.189 1.00 0.00 C ATOM 757 CG LYS A 48 33.051 35.544 16.846 1.00 0.00 C ATOM 758 CD LYS A 48 33.237 37.075 16.927 1.00 0.00 C ATOM 759 CE LYS A 48 34.666 37.532 17.257 1.00 0.00 C ATOM 760 NZ LYS A 48 34.814 39.008 17.102 1.00 0.00 N ATOM 0 H LYS A 48 33.521 32.196 18.236 1.00 0.00 H new ATOM 0 HA LYS A 48 35.307 34.500 17.735 1.00 0.00 H new ATOM 0 HB2 LYS A 48 32.373 34.123 18.316 1.00 0.00 H new ATOM 0 HB3 LYS A 48 33.152 35.538 18.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 33.774 35.140 16.137 1.00 0.00 H new ATOM 0 HG3 LYS A 48 32.059 35.332 16.446 1.00 0.00 H new ATOM 0 HD2 LYS A 48 32.941 37.514 15.974 1.00 0.00 H new ATOM 0 HD3 LYS A 48 32.560 37.470 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 34.915 37.245 18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 48 35.373 37.023 16.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 35.790 39.285 17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 34.600 39.277 16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 34.156 39.492 17.745 1.00 0.00 H new ATOM 774 N GLN A 49 36.014 34.723 20.126 1.00 0.00 N ATOM 775 CA GLN A 49 36.390 34.935 21.521 1.00 0.00 C ATOM 776 C GLN A 49 35.378 35.883 22.188 1.00 0.00 C ATOM 777 O GLN A 49 35.158 36.982 21.683 1.00 0.00 O ATOM 778 CB GLN A 49 37.830 35.464 21.627 1.00 0.00 C ATOM 779 CG GLN A 49 38.876 34.572 20.925 1.00 0.00 C ATOM 780 CD GLN A 49 39.233 35.030 19.509 1.00 0.00 C ATOM 781 OE1 GLN A 49 38.427 35.579 18.771 1.00 0.00 O ATOM 782 NE2 GLN A 49 40.456 34.806 19.070 1.00 0.00 N ATOM 0 H GLN A 49 36.626 35.181 19.451 1.00 0.00 H new ATOM 0 HA GLN A 49 36.365 33.983 22.050 1.00 0.00 H new ATOM 0 HB2 GLN A 49 37.872 36.464 21.196 1.00 0.00 H new ATOM 0 HB3 GLN A 49 38.095 35.559 22.680 1.00 0.00 H new ATOM 0 HG2 GLN A 49 39.783 34.550 21.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 38.497 33.551 20.881 1.00 0.00 H new ATOM 0 HE21 GLN A 49 41.139 34.349 19.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 40.719 35.090 18.126 1.00 0.00 H new ATOM 791 N LEU A 50 34.734 35.442 23.275 1.00 0.00 N ATOM 792 CA LEU A 50 33.765 36.259 24.025 1.00 0.00 C ATOM 793 C LEU A 50 34.458 37.383 24.812 1.00 0.00 C ATOM 794 O LEU A 50 35.641 37.285 25.141 1.00 0.00 O ATOM 795 CB LEU A 50 32.906 35.393 24.968 1.00 0.00 C ATOM 796 CG LEU A 50 32.206 34.175 24.335 1.00 0.00 C ATOM 797 CD1 LEU A 50 31.367 33.445 25.385 1.00 0.00 C ATOM 798 CD2 LEU A 50 31.261 34.585 23.213 1.00 0.00 C ATOM 0 H LEU A 50 34.868 34.508 23.662 1.00 0.00 H new ATOM 0 HA LEU A 50 33.105 36.720 23.290 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.542 35.038 25.779 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.144 36.030 25.416 1.00 0.00 H new ATOM 0 HG LEU A 50 32.993 33.534 23.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.877 32.586 24.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 32.013 33.105 26.194 1.00 0.00 H new ATOM 0 HD13 LEU A 50 30.612 34.123 25.784 1.00 0.00 H new ATOM 0 HD21 LEU A 50 30.788 33.697 22.793 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.495 35.252 23.608 1.00 0.00 H new ATOM 0 HD23 LEU A 50 31.823 35.099 22.434 1.00 0.00 H new ATOM 810 N GLU A 51 33.701 38.430 25.151 1.00 0.00 N ATOM 811 CA GLU A 51 34.238 39.662 25.739 1.00 0.00 C ATOM 812 C GLU A 51 33.300 40.271 26.783 1.00 0.00 C ATOM 813 O GLU A 51 32.073 40.144 26.729 1.00 0.00 O ATOM 814 CB GLU A 51 34.536 40.687 24.632 1.00 0.00 C ATOM 815 CG GLU A 51 35.837 41.473 24.846 1.00 0.00 C ATOM 816 CD GLU A 51 36.204 42.258 23.572 1.00 0.00 C ATOM 817 OE1 GLU A 51 35.501 43.259 23.293 1.00 0.00 O ATOM 818 OE2 GLU A 51 37.153 41.846 22.860 1.00 0.00 O ATOM 0 H GLU A 51 32.689 38.447 25.024 1.00 0.00 H new ATOM 0 HA GLU A 51 35.161 39.398 26.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 34.590 40.168 23.675 1.00 0.00 H new ATOM 0 HB3 GLU A 51 33.705 41.389 24.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.721 42.160 25.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 36.645 40.789 25.105 1.00 0.00 H new ATOM 825 N ASP A 52 33.913 40.965 27.729 1.00 0.00 N ATOM 826 CA ASP A 52 33.344 41.331 29.026 1.00 0.00 C ATOM 827 C ASP A 52 32.603 42.681 28.955 1.00 0.00 C ATOM 828 O ASP A 52 32.997 43.682 29.548 1.00 0.00 O ATOM 829 CB ASP A 52 34.446 41.218 30.095 1.00 0.00 C ATOM 830 CG ASP A 52 35.042 39.797 30.138 1.00 0.00 C ATOM 831 OD1 ASP A 52 34.396 38.889 30.704 1.00 0.00 O ATOM 832 OD2 ASP A 52 36.137 39.583 29.561 1.00 0.00 O ATOM 0 H ASP A 52 34.867 41.307 27.612 1.00 0.00 H new ATOM 0 HA ASP A 52 32.559 40.637 29.326 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.235 41.939 29.884 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.035 41.472 31.072 1.00 0.00 H new ATOM 837 N GLY A 53 31.520 42.689 28.171 1.00 0.00 N ATOM 838 CA GLY A 53 30.680 43.867 27.897 1.00 0.00 C ATOM 839 C GLY A 53 29.249 43.547 27.441 1.00 0.00 C ATOM 840 O GLY A 53 28.353 44.373 27.608 1.00 0.00 O ATOM 0 H GLY A 53 31.191 41.850 27.693 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.631 44.478 28.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 31.164 44.470 27.129 1.00 0.00 H new ATOM 844 N ARG A 54 29.002 42.340 26.906 1.00 0.00 N ATOM 845 CA ARG A 54 27.640 41.827 26.619 1.00 0.00 C ATOM 846 C ARG A 54 27.164 40.774 27.642 1.00 0.00 C ATOM 847 O ARG A 54 27.907 40.410 28.554 1.00 0.00 O ATOM 848 CB ARG A 54 27.588 41.291 25.180 1.00 0.00 C ATOM 849 CG ARG A 54 27.855 42.307 24.056 1.00 0.00 C ATOM 850 CD ARG A 54 26.889 43.500 24.061 1.00 0.00 C ATOM 851 NE ARG A 54 26.986 44.262 22.801 1.00 0.00 N ATOM 852 CZ ARG A 54 26.429 45.428 22.531 1.00 0.00 C ATOM 853 NH1 ARG A 54 25.779 46.118 23.430 1.00 0.00 N ATOM 854 NH2 ARG A 54 26.527 45.920 21.330 1.00 0.00 N ATOM 0 H ARG A 54 29.742 41.684 26.657 1.00 0.00 H new ATOM 0 HA ARG A 54 26.942 42.658 26.716 1.00 0.00 H new ATOM 0 HB2 ARG A 54 28.316 40.485 25.090 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.604 40.852 25.015 1.00 0.00 H new ATOM 0 HG2 ARG A 54 28.876 42.677 24.148 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.786 41.798 23.094 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.868 43.145 24.198 1.00 0.00 H new ATOM 0 HD3 ARG A 54 27.116 44.153 24.904 1.00 0.00 H new ATOM 0 HE ARG A 54 27.544 43.842 22.058 1.00 0.00 H new ATOM 0 HH11 ARG A 54 25.688 45.759 24.381 1.00 0.00 H new ATOM 0 HH12 ARG A 54 25.363 47.015 23.181 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.031 45.405 20.608 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.100 46.820 21.111 1.00 0.00 H new ATOM 868 N THR A 55 25.926 40.289 27.498 1.00 0.00 N ATOM 869 CA THR A 55 25.357 39.164 28.276 1.00 0.00 C ATOM 870 C THR A 55 25.271 37.861 27.464 1.00 0.00 C ATOM 871 O THR A 55 25.592 37.830 26.276 1.00 0.00 O ATOM 872 CB THR A 55 23.967 39.510 28.846 1.00 0.00 C ATOM 873 OG1 THR A 55 23.012 39.594 27.810 1.00 0.00 O ATOM 874 CG2 THR A 55 23.949 40.825 29.625 1.00 0.00 C ATOM 0 H THR A 55 25.268 40.673 26.820 1.00 0.00 H new ATOM 0 HA THR A 55 26.050 38.999 29.101 1.00 0.00 H new ATOM 0 HB THR A 55 23.719 38.703 29.535 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.255 40.321 27.199 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.943 41.012 30.000 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.643 40.761 30.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.249 41.641 28.968 1.00 0.00 H new ATOM 882 N LEU A 56 24.816 36.767 28.084 1.00 0.00 N ATOM 883 CA LEU A 56 24.566 35.496 27.381 1.00 0.00 C ATOM 884 C LEU A 56 23.469 35.604 26.312 1.00 0.00 C ATOM 885 O LEU A 56 23.646 35.100 25.201 1.00 0.00 O ATOM 886 CB LEU A 56 24.169 34.412 28.392 1.00 0.00 C ATOM 887 CG LEU A 56 25.218 34.047 29.455 1.00 0.00 C ATOM 888 CD1 LEU A 56 24.813 32.748 30.148 1.00 0.00 C ATOM 889 CD2 LEU A 56 26.600 33.814 28.839 1.00 0.00 C ATOM 0 H LEU A 56 24.610 36.733 29.082 1.00 0.00 H new ATOM 0 HA LEU A 56 25.494 35.235 26.873 1.00 0.00 H new ATOM 0 HB2 LEU A 56 23.264 34.738 28.904 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.914 33.507 27.840 1.00 0.00 H new ATOM 0 HG LEU A 56 25.267 34.882 30.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 25.557 32.490 30.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 23.842 32.878 30.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 24.750 31.947 29.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.310 33.559 29.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.545 32.996 28.120 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.930 34.721 28.332 1.00 0.00 H new ATOM 901 N SER A 57 22.354 36.271 26.630 1.00 0.00 N ATOM 902 CA SER A 57 21.251 36.495 25.684 1.00 0.00 C ATOM 903 C SER A 57 21.675 37.367 24.492 1.00 0.00 C ATOM 904 O SER A 57 21.276 37.105 23.359 1.00 0.00 O ATOM 905 CB SER A 57 20.082 37.130 26.443 1.00 0.00 C ATOM 906 OG SER A 57 18.920 37.201 25.645 1.00 0.00 O ATOM 0 H SER A 57 22.189 36.673 27.553 1.00 0.00 H new ATOM 0 HA SER A 57 20.947 35.536 25.264 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.872 36.549 27.341 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.361 38.132 26.770 1.00 0.00 H new ATOM 0 HG SER A 57 18.194 37.610 26.161 1.00 0.00 H new ATOM 912 N ASP A 58 22.573 38.334 24.711 1.00 0.00 N ATOM 913 CA ASP A 58 23.196 39.160 23.653 1.00 0.00 C ATOM 914 C ASP A 58 24.044 38.317 22.669 1.00 0.00 C ATOM 915 O ASP A 58 24.133 38.617 21.476 1.00 0.00 O ATOM 916 CB ASP A 58 24.138 40.173 24.325 1.00 0.00 C ATOM 917 CG ASP A 58 23.642 41.609 24.501 1.00 0.00 C ATOM 918 OD1 ASP A 58 23.373 42.271 23.477 1.00 0.00 O ATOM 919 OD2 ASP A 58 23.700 42.088 25.663 1.00 0.00 O ATOM 0 H ASP A 58 22.899 38.575 25.647 1.00 0.00 H new ATOM 0 HA ASP A 58 22.394 39.641 23.093 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.396 39.786 25.311 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.060 40.207 23.745 1.00 0.00 H new ATOM 924 N TYR A 59 24.688 37.259 23.175 1.00 0.00 N ATOM 925 CA TYR A 59 25.466 36.295 22.388 1.00 0.00 C ATOM 926 C TYR A 59 24.626 35.127 21.828 1.00 0.00 C ATOM 927 O TYR A 59 25.168 34.277 21.130 1.00 0.00 O ATOM 928 CB TYR A 59 26.677 35.814 23.213 1.00 0.00 C ATOM 929 CG TYR A 59 27.931 36.653 23.040 1.00 0.00 C ATOM 930 CD1 TYR A 59 28.714 36.487 21.880 1.00 0.00 C ATOM 931 CD2 TYR A 59 28.343 37.558 24.038 1.00 0.00 C ATOM 932 CE1 TYR A 59 29.889 37.242 21.704 1.00 0.00 C ATOM 933 CE2 TYR A 59 29.538 38.292 23.881 1.00 0.00 C ATOM 934 CZ TYR A 59 30.302 38.147 22.704 1.00 0.00 C ATOM 935 OH TYR A 59 31.449 38.857 22.536 1.00 0.00 O ATOM 0 H TYR A 59 24.682 37.044 24.172 1.00 0.00 H new ATOM 0 HA TYR A 59 25.829 36.811 21.499 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.402 35.807 24.268 1.00 0.00 H new ATOM 0 HB3 TYR A 59 26.903 34.784 22.936 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.412 35.778 21.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 27.743 37.690 24.926 1.00 0.00 H new ATOM 0 HE1 TYR A 59 30.474 37.128 20.803 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.867 38.963 24.660 1.00 0.00 H new ATOM 0 HH TYR A 59 31.592 39.436 23.314 1.00 0.00 H new ATOM 945 N ASN A 60 23.311 35.085 22.105 1.00 0.00 N ATOM 946 CA ASN A 60 22.393 34.004 21.713 1.00 0.00 C ATOM 947 C ASN A 60 22.786 32.613 22.270 1.00 0.00 C ATOM 948 O ASN A 60 22.606 31.590 21.609 1.00 0.00 O ATOM 949 CB ASN A 60 22.151 34.058 20.188 1.00 0.00 C ATOM 950 CG ASN A 60 20.969 33.212 19.736 1.00 0.00 C ATOM 951 OD1 ASN A 60 19.824 33.454 20.081 1.00 0.00 O ATOM 952 ND2 ASN A 60 21.198 32.194 18.938 1.00 0.00 N ATOM 0 H ASN A 60 22.844 35.828 22.625 1.00 0.00 H new ATOM 0 HA ASN A 60 21.430 34.175 22.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.983 35.093 19.890 1.00 0.00 H new ATOM 0 HB3 ASN A 60 23.050 33.720 19.672 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.423 31.616 18.614 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.151 31.982 18.643 1.00 0.00 H new ATOM 959 N ILE A 61 23.332 32.554 23.493 1.00 0.00 N ATOM 960 CA ILE A 61 23.776 31.307 24.135 1.00 0.00 C ATOM 961 C ILE A 61 22.588 30.640 24.846 1.00 0.00 C ATOM 962 O ILE A 61 22.179 31.049 25.934 1.00 0.00 O ATOM 963 CB ILE A 61 24.982 31.559 25.077 1.00 0.00 C ATOM 964 CG1 ILE A 61 26.180 32.126 24.279 1.00 0.00 C ATOM 965 CG2 ILE A 61 25.401 30.249 25.779 1.00 0.00 C ATOM 966 CD1 ILE A 61 27.341 32.652 25.134 1.00 0.00 C ATOM 0 H ILE A 61 23.480 33.381 24.072 1.00 0.00 H new ATOM 0 HA ILE A 61 24.133 30.614 23.373 1.00 0.00 H new ATOM 0 HB ILE A 61 24.680 32.286 25.831 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.559 31.345 23.619 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.822 32.935 23.642 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.249 30.443 26.436 1.00 0.00 H new ATOM 0 HG22 ILE A 61 24.566 29.868 26.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.685 29.510 25.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 28.131 33.028 24.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.985 33.458 25.775 1.00 0.00 H new ATOM 0 HD13 ILE A 61 27.733 31.844 25.752 1.00 0.00 H new ATOM 978 N GLN A 62 22.043 29.590 24.232 1.00 0.00 N ATOM 979 CA GLN A 62 20.980 28.758 24.813 1.00 0.00 C ATOM 980 C GLN A 62 21.495 27.772 25.886 1.00 0.00 C ATOM 981 O GLN A 62 22.690 27.476 25.971 1.00 0.00 O ATOM 982 CB GLN A 62 20.194 28.052 23.687 1.00 0.00 C ATOM 983 CG GLN A 62 21.010 27.031 22.868 1.00 0.00 C ATOM 984 CD GLN A 62 21.007 27.347 21.375 1.00 0.00 C ATOM 985 OE1 GLN A 62 21.857 28.053 20.863 1.00 0.00 O ATOM 986 NE2 GLN A 62 20.050 26.860 20.614 1.00 0.00 N ATOM 0 H GLN A 62 22.330 29.286 23.302 1.00 0.00 H new ATOM 0 HA GLN A 62 20.298 29.417 25.349 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.337 27.542 24.127 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.801 28.809 23.009 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.038 27.016 23.231 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.601 26.033 23.026 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.327 26.266 21.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.031 27.076 19.617 1.00 0.00 H new ATOM 995 N LYS A 63 20.582 27.214 26.695 1.00 0.00 N ATOM 996 CA LYS A 63 20.867 26.086 27.612 1.00 0.00 C ATOM 997 C LYS A 63 21.399 24.861 26.851 1.00 0.00 C ATOM 998 O LYS A 63 21.143 24.722 25.661 1.00 0.00 O ATOM 999 CB LYS A 63 19.615 25.743 28.445 1.00 0.00 C ATOM 1000 CG LYS A 63 18.483 25.124 27.595 1.00 0.00 C ATOM 1001 CD LYS A 63 17.228 24.811 28.425 1.00 0.00 C ATOM 1002 CE LYS A 63 15.953 24.879 27.565 1.00 0.00 C ATOM 1003 NZ LYS A 63 15.760 23.703 26.679 1.00 0.00 N ATOM 0 H LYS A 63 19.614 27.532 26.736 1.00 0.00 H new ATOM 0 HA LYS A 63 21.655 26.395 28.299 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.891 25.047 29.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.247 26.648 28.929 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.220 25.810 26.790 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.843 24.208 27.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.319 23.818 28.865 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.150 25.519 29.250 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.088 24.972 28.222 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.987 25.780 26.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.883 23.820 26.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.566 23.624 26.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.695 22.840 27.256 1.00 0.00 H new ATOM 1017 N GLU A 64 22.096 23.969 27.556 1.00 0.00 N ATOM 1018 CA GLU A 64 22.789 22.794 26.975 1.00 0.00 C ATOM 1019 C GLU A 64 23.918 23.145 25.982 1.00 0.00 C ATOM 1020 O GLU A 64 24.440 22.266 25.301 1.00 0.00 O ATOM 1021 CB GLU A 64 21.808 21.736 26.413 1.00 0.00 C ATOM 1022 CG GLU A 64 20.689 21.362 27.408 1.00 0.00 C ATOM 1023 CD GLU A 64 20.402 19.859 27.580 1.00 0.00 C ATOM 1024 OE1 GLU A 64 21.275 19.002 27.303 1.00 0.00 O ATOM 1025 OE2 GLU A 64 19.284 19.573 28.079 1.00 0.00 O ATOM 0 H GLU A 64 22.203 24.035 28.568 1.00 0.00 H new ATOM 0 HA GLU A 64 23.298 22.331 27.820 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.359 22.116 25.496 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.365 20.838 26.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.947 21.775 28.383 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.769 21.851 27.088 1.00 0.00 H new ATOM 1032 N SER A 65 24.355 24.409 25.929 1.00 0.00 N ATOM 1033 CA SER A 65 25.506 24.811 25.122 1.00 0.00 C ATOM 1034 C SER A 65 26.796 24.302 25.749 1.00 0.00 C ATOM 1035 O SER A 65 26.968 24.394 26.966 1.00 0.00 O ATOM 1036 CB SER A 65 25.597 26.332 25.002 1.00 0.00 C ATOM 1037 OG SER A 65 24.551 26.833 24.204 1.00 0.00 O ATOM 0 H SER A 65 23.921 25.176 26.443 1.00 0.00 H new ATOM 0 HA SER A 65 25.372 24.379 24.130 1.00 0.00 H new ATOM 0 HB2 SER A 65 25.552 26.783 25.993 1.00 0.00 H new ATOM 0 HB3 SER A 65 26.557 26.610 24.568 1.00 0.00 H new ATOM 0 HG SER A 65 23.720 26.846 24.724 1.00 0.00 H new ATOM 1043 N THR A 66 27.725 23.836 24.914 1.00 0.00 N ATOM 1044 CA THR A 66 29.107 23.532 25.293 1.00 0.00 C ATOM 1045 C THR A 66 30.016 24.728 25.035 1.00 0.00 C ATOM 1046 O THR A 66 30.306 25.092 23.896 1.00 0.00 O ATOM 1047 CB THR A 66 29.641 22.276 24.587 1.00 0.00 C ATOM 1048 OG1 THR A 66 29.033 22.085 23.327 1.00 0.00 O ATOM 1049 CG2 THR A 66 29.355 21.039 25.436 1.00 0.00 C ATOM 0 H THR A 66 27.533 23.654 23.929 1.00 0.00 H new ATOM 0 HA THR A 66 29.106 23.321 26.362 1.00 0.00 H new ATOM 0 HB THR A 66 30.713 22.418 24.450 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.398 21.279 22.907 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.737 20.153 24.928 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.844 21.141 26.405 1.00 0.00 H new ATOM 0 HG23 THR A 66 28.279 20.938 25.582 1.00 0.00 H new ATOM 1057 N LEU A 67 30.489 25.339 26.119 1.00 0.00 N ATOM 1058 CA LEU A 67 31.516 26.379 26.078 1.00 0.00 C ATOM 1059 C LEU A 67 32.886 25.784 25.743 1.00 0.00 C ATOM 1060 O LEU A 67 33.132 24.606 25.993 1.00 0.00 O ATOM 1061 CB LEU A 67 31.574 27.100 27.433 1.00 0.00 C ATOM 1062 CG LEU A 67 30.533 28.206 27.668 1.00 0.00 C ATOM 1063 CD1 LEU A 67 30.760 29.391 26.731 1.00 0.00 C ATOM 1064 CD2 LEU A 67 29.079 27.753 27.573 1.00 0.00 C ATOM 0 H LEU A 67 30.166 25.124 27.062 1.00 0.00 H new ATOM 0 HA LEU A 67 31.255 27.092 25.296 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.463 26.355 28.221 1.00 0.00 H new ATOM 0 HB3 LEU A 67 32.566 27.537 27.545 1.00 0.00 H new ATOM 0 HG LEU A 67 30.692 28.507 28.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 30.007 30.156 26.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 31.752 29.807 26.904 1.00 0.00 H new ATOM 0 HD13 LEU A 67 30.682 29.057 25.696 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.421 28.603 27.753 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.888 27.350 26.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.889 26.982 28.319 1.00 0.00 H new ATOM 1076 N HIS A 68 33.793 26.629 25.255 1.00 0.00 N ATOM 1077 CA HIS A 68 35.155 26.236 24.853 1.00 0.00 C ATOM 1078 C HIS A 68 36.199 26.782 25.828 1.00 0.00 C ATOM 1079 O HIS A 68 36.381 27.997 25.921 1.00 0.00 O ATOM 1080 CB HIS A 68 35.461 26.717 23.428 1.00 0.00 C ATOM 1081 CG HIS A 68 34.643 26.040 22.360 1.00 0.00 C ATOM 1082 ND1 HIS A 68 35.059 24.944 21.603 1.00 0.00 N ATOM 1083 CD2 HIS A 68 33.370 26.372 22.000 1.00 0.00 C ATOM 1084 CE1 HIS A 68 34.021 24.629 20.814 1.00 0.00 C ATOM 1085 NE2 HIS A 68 32.991 25.469 21.031 1.00 0.00 N ATOM 0 H HIS A 68 33.605 27.623 25.123 1.00 0.00 H new ATOM 0 HA HIS A 68 35.204 25.147 24.874 1.00 0.00 H new ATOM 0 HB2 HIS A 68 35.290 27.792 23.375 1.00 0.00 H new ATOM 0 HB3 HIS A 68 36.518 26.552 23.220 1.00 0.00 H new ATOM 0 HD2 HIS A 68 32.776 27.183 22.396 1.00 0.00 H new ATOM 0 HE1 HIS A 68 34.012 23.815 20.104 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.087 25.441 20.560 1.00 0.00 H new ATOM 1093 N LEU A 69 36.907 25.885 26.522 1.00 0.00 N ATOM 1094 CA LEU A 69 37.991 26.220 27.445 1.00 0.00 C ATOM 1095 C LEU A 69 39.359 25.863 26.854 1.00 0.00 C ATOM 1096 O LEU A 69 39.645 24.698 26.567 1.00 0.00 O ATOM 1097 CB LEU A 69 37.738 25.538 28.806 1.00 0.00 C ATOM 1098 CG LEU A 69 37.256 26.484 29.928 1.00 0.00 C ATOM 1099 CD1 LEU A 69 38.375 27.383 30.397 1.00 0.00 C ATOM 1100 CD2 LEU A 69 36.073 27.350 29.483 1.00 0.00 C ATOM 0 H LEU A 69 36.736 24.882 26.454 1.00 0.00 H new ATOM 0 HA LEU A 69 38.006 27.298 27.606 1.00 0.00 H new ATOM 0 HB2 LEU A 69 36.995 24.752 28.670 1.00 0.00 H new ATOM 0 HB3 LEU A 69 38.659 25.054 29.130 1.00 0.00 H new ATOM 0 HG LEU A 69 36.929 25.846 30.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 38.008 28.039 31.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 39.194 26.775 30.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 38.732 27.986 29.562 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.768 27.999 30.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 36.369 27.960 28.629 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.239 26.708 29.199 1.00 0.00 H new ATOM 1112 N VAL A 70 40.213 26.880 26.713 1.00 0.00 N ATOM 1113 CA VAL A 70 41.574 26.778 26.172 1.00 0.00 C ATOM 1114 C VAL A 70 42.591 27.365 27.152 1.00 0.00 C ATOM 1115 O VAL A 70 42.310 28.367 27.814 1.00 0.00 O ATOM 1116 CB VAL A 70 41.698 27.445 24.786 1.00 0.00 C ATOM 1117 CG1 VAL A 70 40.761 26.797 23.759 1.00 0.00 C ATOM 1118 CG2 VAL A 70 41.427 28.956 24.818 1.00 0.00 C ATOM 0 H VAL A 70 39.968 27.833 26.982 1.00 0.00 H new ATOM 0 HA VAL A 70 41.791 25.718 26.039 1.00 0.00 H new ATOM 0 HB VAL A 70 42.735 27.290 24.488 1.00 0.00 H new ATOM 0 HG11 VAL A 70 40.877 27.294 22.796 1.00 0.00 H new ATOM 0 HG12 VAL A 70 41.010 25.741 23.655 1.00 0.00 H new ATOM 0 HG13 VAL A 70 39.729 26.895 24.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 41.530 29.365 23.813 1.00 0.00 H new ATOM 0 HG22 VAL A 70 40.415 29.137 25.182 1.00 0.00 H new ATOM 0 HG23 VAL A 70 42.143 29.440 25.482 1.00 0.00 H new ATOM 1128 N LEU A 71 43.773 26.750 27.206 1.00 0.00 N ATOM 1129 CA LEU A 71 44.868 27.099 28.118 1.00 0.00 C ATOM 1130 C LEU A 71 45.723 28.236 27.540 1.00 0.00 C ATOM 1131 O LEU A 71 46.183 28.155 26.398 1.00 0.00 O ATOM 1132 CB LEU A 71 45.741 25.847 28.393 1.00 0.00 C ATOM 1133 CG LEU A 71 45.771 25.329 29.844 1.00 0.00 C ATOM 1134 CD1 LEU A 71 46.248 26.395 30.833 1.00 0.00 C ATOM 1135 CD2 LEU A 71 44.412 24.781 30.270 1.00 0.00 C ATOM 0 H LEU A 71 44.005 25.967 26.595 1.00 0.00 H new ATOM 0 HA LEU A 71 44.440 27.448 29.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 45.390 25.039 27.751 1.00 0.00 H new ATOM 0 HB3 LEU A 71 46.764 26.072 28.091 1.00 0.00 H new ATOM 0 HG LEU A 71 46.495 24.514 29.864 1.00 0.00 H new ATOM 0 HD11 LEU A 71 46.251 25.981 31.841 1.00 0.00 H new ATOM 0 HD12 LEU A 71 47.257 26.712 30.568 1.00 0.00 H new ATOM 0 HD13 LEU A 71 45.576 27.253 30.796 1.00 0.00 H new ATOM 0 HD21 LEU A 71 44.470 24.424 31.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 43.664 25.570 30.201 1.00 0.00 H new ATOM 0 HD23 LEU A 71 44.131 23.956 29.615 1.00 0.00 H new ATOM 1147 N ARG A 72 46.003 29.274 28.335 1.00 0.00 N ATOM 1148 CA ARG A 72 46.766 30.463 27.913 1.00 0.00 C ATOM 1149 C ARG A 72 48.195 30.512 28.476 1.00 0.00 C ATOM 1150 O ARG A 72 48.705 31.579 28.789 1.00 0.00 O ATOM 1151 CB ARG A 72 45.932 31.730 28.189 1.00 0.00 C ATOM 1152 CG ARG A 72 46.288 32.874 27.224 1.00 0.00 C ATOM 1153 CD ARG A 72 45.790 32.626 25.784 1.00 0.00 C ATOM 1154 NE ARG A 72 46.849 32.654 24.749 1.00 0.00 N ATOM 1155 CZ ARG A 72 47.562 33.703 24.364 1.00 0.00 C ATOM 1156 NH1 ARG A 72 47.551 34.827 25.017 1.00 0.00 N ATOM 1157 NH2 ARG A 72 48.302 33.645 23.293 1.00 0.00 N ATOM 0 H ARG A 72 45.702 29.316 29.309 1.00 0.00 H new ATOM 0 HA ARG A 72 46.932 30.402 26.837 1.00 0.00 H new ATOM 0 HB2 ARG A 72 44.872 31.494 28.096 1.00 0.00 H new ATOM 0 HB3 ARG A 72 46.097 32.057 29.216 1.00 0.00 H new ATOM 0 HG2 ARG A 72 45.857 33.803 27.596 1.00 0.00 H new ATOM 0 HG3 ARG A 72 47.370 33.007 27.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 45.292 31.657 25.748 1.00 0.00 H new ATOM 0 HD3 ARG A 72 45.041 33.379 25.538 1.00 0.00 H new ATOM 0 HE ARG A 72 47.052 31.770 24.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 46.980 34.923 25.857 1.00 0.00 H new ATOM 0 HH12 ARG A 72 48.113 35.613 24.690 1.00 0.00 H new ATOM 0 HH21 ARG A 72 48.336 32.787 22.743 1.00 0.00 H new ATOM 0 HH22 ARG A 72 48.847 34.458 23.005 1.00 0.00 H new ATOM 1171 N LEU A 73 48.858 29.357 28.574 1.00 0.00 N ATOM 1172 CA LEU A 73 50.216 29.216 29.129 1.00 0.00 C ATOM 1173 C LEU A 73 51.227 28.657 28.105 1.00 0.00 C ATOM 1174 O LEU A 73 52.039 27.792 28.413 1.00 0.00 O ATOM 1175 CB LEU A 73 50.135 28.426 30.455 1.00 0.00 C ATOM 1176 CG LEU A 73 51.370 28.559 31.375 1.00 0.00 C ATOM 1177 CD1 LEU A 73 51.482 29.944 32.022 1.00 0.00 C ATOM 1178 CD2 LEU A 73 51.293 27.522 32.496 1.00 0.00 C ATOM 0 H LEU A 73 48.460 28.470 28.264 1.00 0.00 H new ATOM 0 HA LEU A 73 50.620 30.202 29.360 1.00 0.00 H new ATOM 0 HB2 LEU A 73 49.255 28.759 31.005 1.00 0.00 H new ATOM 0 HB3 LEU A 73 49.986 27.371 30.223 1.00 0.00 H new ATOM 0 HG LEU A 73 52.245 28.402 30.744 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.367 29.979 32.657 1.00 0.00 H new ATOM 0 HD12 LEU A 73 51.563 30.703 31.244 1.00 0.00 H new ATOM 0 HD13 LEU A 73 50.595 30.136 32.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.165 27.619 33.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 50.388 27.685 33.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 51.271 26.521 32.065 1.00 0.00 H new ATOM 1190 N ARG A 74 51.193 29.146 26.857 1.00 0.00 N ATOM 1191 CA ARG A 74 52.104 28.708 25.772 1.00 0.00 C ATOM 1192 C ARG A 74 53.395 29.544 25.728 1.00 0.00 C ATOM 1193 O ARG A 74 53.770 30.057 24.673 1.00 0.00 O ATOM 1194 CB ARG A 74 51.376 28.627 24.415 1.00 0.00 C ATOM 1195 CG ARG A 74 50.076 27.807 24.471 1.00 0.00 C ATOM 1196 CD ARG A 74 49.506 27.531 23.067 1.00 0.00 C ATOM 1197 NE ARG A 74 50.193 26.410 22.386 1.00 0.00 N ATOM 1198 CZ ARG A 74 49.909 25.119 22.489 1.00 0.00 C ATOM 1199 NH1 ARG A 74 48.934 24.678 23.233 1.00 0.00 N ATOM 1200 NH2 ARG A 74 50.611 24.231 21.844 1.00 0.00 N ATOM 0 H ARG A 74 50.530 29.863 26.563 1.00 0.00 H new ATOM 0 HA ARG A 74 52.424 27.691 26.001 1.00 0.00 H new ATOM 0 HB2 ARG A 74 51.147 29.636 24.073 1.00 0.00 H new ATOM 0 HB3 ARG A 74 52.045 28.184 23.677 1.00 0.00 H new ATOM 0 HG2 ARG A 74 50.266 26.861 24.977 1.00 0.00 H new ATOM 0 HG3 ARG A 74 49.335 28.343 25.064 1.00 0.00 H new ATOM 0 HD2 ARG A 74 48.443 27.306 23.148 1.00 0.00 H new ATOM 0 HD3 ARG A 74 49.596 28.431 22.459 1.00 0.00 H new ATOM 0 HE ARG A 74 50.968 26.658 21.771 1.00 0.00 H new ATOM 0 HH11 ARG A 74 48.359 25.334 23.761 1.00 0.00 H new ATOM 0 HH12 ARG A 74 48.746 23.677 23.287 1.00 0.00 H new ATOM 0 HH21 ARG A 74 51.388 24.526 21.253 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.384 23.240 21.930 1.00 0.00 H new ATOM 1214 N GLY A 75 54.010 29.729 26.900 1.00 0.00 N ATOM 1215 CA GLY A 75 55.181 30.594 27.125 1.00 0.00 C ATOM 1216 C GLY A 75 56.327 29.959 27.924 1.00 0.00 C ATOM 1217 O GLY A 75 57.306 30.658 28.192 1.00 0.00 O ATOM 0 H GLY A 75 53.697 29.265 27.753 1.00 0.00 H new ATOM 0 HA2 GLY A 75 55.568 30.911 26.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 54.852 31.493 27.646 1.00 0.00 H new ATOM 1221 N GLY A 76 56.192 28.678 28.293 1.00 0.00 N ATOM 1222 CA GLY A 76 57.259 27.778 28.751 1.00 0.00 C ATOM 1223 C GLY A 76 57.278 26.521 27.884 1.00 0.00 C ATOM 1224 O GLY A 76 56.670 25.530 28.336 1.00 0.00 O ATOM 1225 OXT GLY A 76 57.807 26.601 26.750 1.00 0.00 O ATOM 0 H GLY A 76 55.283 28.216 28.279 1.00 0.00 H new ATOM 0 HA2 GLY A 76 58.223 28.284 28.697 1.00 0.00 H new ATOM 0 HA3 GLY A 76 57.098 27.509 29.795 1.00 0.00 H new TER 1229 GLY A 76