USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -56:sc= 1.01 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 1.08 K(o=1.1,f=-0.062) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.522 (180deg=0.476) USER MOD Single : A 31 SER OG : rot 88:sc= 1.18 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.421 USER MOD Single : A 42 SER OG : rot -170:sc= -0.205 USER MOD Single : A 43 MET CE :methyl -163:sc= -0.0824 (180deg=-0.463) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= -0.0935 (180deg=-0.385) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= 0.439 (180deg=0.144) USER MOD Single : A 65 ASN : amide:sc= -0.0515 X(o=-0.051,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -65:sc= 1.26 USER MOD Single : A 73 THR OG1 : rot -84:sc= 0.994 USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.19) USER MOD Single : A 75 TYR OH : rot 13:sc= 0.452 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 10.256 8.035 -3.077 1.00 1.12 N ATOM 14 CA ALA A 2 9.001 8.626 -2.675 1.00 0.91 C ATOM 15 C ALA A 2 8.768 8.389 -1.224 1.00 0.87 C ATOM 16 O ALA A 2 9.101 7.328 -0.679 1.00 1.07 O ATOM 17 CB ALA A 2 7.855 8.092 -3.519 1.00 0.92 C ATOM 0 HA ALA A 2 9.050 9.702 -2.840 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.921 8.552 -3.197 1.00 0.92 H new ATOM 0 HB2 ALA A 2 8.034 8.330 -4.568 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.787 7.011 -3.398 1.00 0.92 H new ATOM 23 N THR A 3 8.245 9.377 -0.593 1.00 0.76 N ATOM 24 CA THR A 3 7.995 9.321 0.793 1.00 0.76 C ATOM 25 C THR A 3 6.512 9.138 1.100 1.00 0.56 C ATOM 26 O THR A 3 5.722 9.039 0.186 1.00 0.48 O ATOM 27 CB THR A 3 8.598 10.521 1.504 1.00 0.97 C ATOM 28 OG1 THR A 3 8.205 11.736 0.842 1.00 1.45 O ATOM 29 CG2 THR A 3 10.103 10.419 1.562 1.00 1.57 C ATOM 0 H THR A 3 7.977 10.257 -1.034 1.00 0.76 H new ATOM 0 HA THR A 3 8.492 8.434 1.186 1.00 0.76 H new ATOM 0 HB THR A 3 8.222 10.535 2.527 1.00 0.97 H new ATOM 0 HG1 THR A 3 8.470 11.695 -0.101 1.00 1.45 H new ATOM 0 HG21 THR A 3 10.507 11.291 2.076 1.00 1.57 H new ATOM 0 HG22 THR A 3 10.386 9.516 2.102 1.00 1.57 H new ATOM 0 HG23 THR A 3 10.504 10.377 0.549 1.00 1.57 H new ATOM 37 N GLN A 4 6.145 9.175 2.384 1.00 0.58 N ATOM 38 CA GLN A 4 4.794 8.831 2.869 1.00 0.52 C ATOM 39 C GLN A 4 3.633 9.449 2.086 1.00 0.49 C ATOM 40 O GLN A 4 2.709 8.737 1.697 1.00 0.51 O ATOM 41 CB GLN A 4 4.652 9.117 4.366 1.00 0.65 C ATOM 42 CG GLN A 4 4.954 10.549 4.774 1.00 1.14 C ATOM 43 CD GLN A 4 4.715 10.771 6.239 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.612 10.579 7.059 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.525 11.197 6.582 1.00 1.76 N ATOM 0 H GLN A 4 6.783 9.448 3.131 1.00 0.58 H new ATOM 0 HA GLN A 4 4.711 7.759 2.690 1.00 0.52 H new ATOM 0 HB2 GLN A 4 3.635 8.874 4.673 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.318 8.450 4.913 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.991 10.785 4.535 1.00 1.14 H new ATOM 0 HG3 GLN A 4 4.331 11.231 4.196 1.00 1.14 H new ATOM 0 HE21 GLN A 4 2.810 11.343 5.869 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.313 11.383 7.562 1.00 1.76 H new ATOM 54 N GLU A 5 3.715 10.728 1.801 1.00 0.53 N ATOM 55 CA GLU A 5 2.615 11.431 1.157 1.00 0.58 C ATOM 56 C GLU A 5 2.537 11.066 -0.325 1.00 0.53 C ATOM 57 O GLU A 5 1.484 11.121 -0.945 1.00 0.60 O ATOM 58 CB GLU A 5 2.796 12.931 1.347 1.00 0.72 C ATOM 59 CG GLU A 5 1.611 13.766 0.938 1.00 1.48 C ATOM 60 CD GLU A 5 0.380 13.402 1.715 1.00 2.18 C ATOM 61 OE1 GLU A 5 0.367 13.618 2.935 1.00 2.49 O ATOM 62 OE2 GLU A 5 -0.576 12.848 1.132 1.00 3.05 O ATOM 0 H GLU A 5 4.529 11.308 2.002 1.00 0.53 H new ATOM 0 HA GLU A 5 1.674 11.130 1.617 1.00 0.58 H new ATOM 0 HB2 GLU A 5 3.016 13.126 2.397 1.00 0.72 H new ATOM 0 HB3 GLU A 5 3.665 13.254 0.774 1.00 0.72 H new ATOM 0 HG2 GLU A 5 1.839 14.821 1.091 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.422 13.632 -0.127 1.00 1.48 H new ATOM 69 N GLU A 6 3.651 10.675 -0.866 1.00 0.50 N ATOM 70 CA GLU A 6 3.738 10.269 -2.251 1.00 0.50 C ATOM 71 C GLU A 6 3.323 8.804 -2.354 1.00 0.42 C ATOM 72 O GLU A 6 2.664 8.381 -3.312 1.00 0.43 O ATOM 73 CB GLU A 6 5.176 10.425 -2.713 1.00 0.59 C ATOM 74 CG GLU A 6 5.728 11.825 -2.534 1.00 1.06 C ATOM 75 CD GLU A 6 7.211 11.879 -2.754 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.649 11.949 -3.906 1.00 2.16 O ATOM 77 OE2 GLU A 6 7.965 11.835 -1.759 1.00 2.53 O ATOM 0 H GLU A 6 4.536 10.626 -0.362 1.00 0.50 H new ATOM 0 HA GLU A 6 3.085 10.881 -2.873 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.803 9.724 -2.162 1.00 0.59 H new ATOM 0 HB3 GLU A 6 5.241 10.151 -3.766 1.00 0.59 H new ATOM 0 HG2 GLU A 6 5.234 12.501 -3.232 1.00 1.06 H new ATOM 0 HG3 GLU A 6 5.498 12.179 -1.529 1.00 1.06 H new ATOM 84 N ILE A 7 3.709 8.052 -1.338 1.00 0.36 N ATOM 85 CA ILE A 7 3.436 6.642 -1.242 1.00 0.33 C ATOM 86 C ILE A 7 1.934 6.378 -1.105 1.00 0.30 C ATOM 87 O ILE A 7 1.364 5.696 -1.940 1.00 0.30 O ATOM 88 CB ILE A 7 4.202 5.988 -0.056 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.728 6.041 -0.281 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.747 4.554 0.174 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.212 5.386 -1.564 1.00 0.45 C ATOM 0 H ILE A 7 4.232 8.420 -0.543 1.00 0.36 H new ATOM 0 HA ILE A 7 3.788 6.186 -2.167 1.00 0.33 H new ATOM 0 HB ILE A 7 3.968 6.565 0.839 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.044 7.084 -0.282 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.221 5.560 0.563 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.301 4.126 1.009 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.681 4.543 0.402 1.00 0.40 H new ATOM 0 HG23 ILE A 7 3.932 3.965 -0.724 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.296 5.475 -1.631 1.00 0.45 H new ATOM 0 HD12 ILE A 7 5.934 4.332 -1.562 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.754 5.880 -2.420 1.00 0.45 H new ATOM 103 N VAL A 8 1.305 6.918 -0.049 1.00 0.31 N ATOM 104 CA VAL A 8 -0.130 6.679 0.206 1.00 0.35 C ATOM 105 C VAL A 8 -0.972 7.068 -1.018 1.00 0.34 C ATOM 106 O VAL A 8 -1.824 6.290 -1.462 1.00 0.36 O ATOM 107 CB VAL A 8 -0.637 7.437 1.473 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.122 7.224 1.661 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.084 6.965 2.716 1.00 0.49 C ATOM 0 H VAL A 8 1.760 7.518 0.638 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.247 5.612 0.393 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.433 8.497 1.321 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.457 7.760 2.549 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.657 7.598 0.788 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.325 6.160 1.782 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.290 7.510 3.583 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.091 5.898 2.855 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.153 7.146 2.607 1.00 0.49 H new ATOM 119 N ALA A 9 -0.711 8.253 -1.555 1.00 0.37 N ATOM 120 CA ALA A 9 -1.379 8.739 -2.754 1.00 0.41 C ATOM 121 C ALA A 9 -1.226 7.748 -3.904 1.00 0.37 C ATOM 122 O ALA A 9 -2.198 7.400 -4.554 1.00 0.43 O ATOM 123 CB ALA A 9 -0.820 10.090 -3.158 1.00 0.48 C ATOM 0 H ALA A 9 -0.028 8.905 -1.170 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.440 8.845 -2.529 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.329 10.441 -4.056 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.976 10.805 -2.350 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.247 9.997 -3.359 1.00 0.48 H new ATOM 129 N GLY A 10 -0.005 7.251 -4.093 1.00 0.33 N ATOM 130 CA GLY A 10 0.273 6.315 -5.160 1.00 0.34 C ATOM 131 C GLY A 10 -0.447 5.001 -4.933 1.00 0.31 C ATOM 132 O GLY A 10 -0.982 4.416 -5.861 1.00 0.37 O ATOM 0 H GLY A 10 0.803 7.486 -3.516 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.036 6.743 -6.113 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.347 6.139 -5.223 1.00 0.34 H new ATOM 136 N LEU A 11 -0.466 4.561 -3.681 1.00 0.26 N ATOM 137 CA LEU A 11 -1.169 3.354 -3.281 1.00 0.25 C ATOM 138 C LEU A 11 -2.633 3.481 -3.634 1.00 0.23 C ATOM 139 O LEU A 11 -3.217 2.594 -4.254 1.00 0.24 O ATOM 140 CB LEU A 11 -1.036 3.125 -1.767 1.00 0.28 C ATOM 141 CG LEU A 11 0.354 2.791 -1.228 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.327 2.748 0.291 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.825 1.453 -1.775 1.00 0.32 C ATOM 0 H LEU A 11 0.009 5.035 -2.913 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.729 2.507 -3.808 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.388 4.022 -1.258 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.710 2.315 -1.488 1.00 0.28 H new ATOM 0 HG LEU A 11 1.049 3.567 -1.551 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.322 2.509 0.666 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.017 3.719 0.677 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.378 1.985 0.621 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.817 1.228 -1.382 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.129 0.671 -1.472 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.868 1.499 -2.863 1.00 0.32 H new ATOM 155 N ALA A 12 -3.204 4.617 -3.285 1.00 0.23 N ATOM 156 CA ALA A 12 -4.590 4.885 -3.542 1.00 0.23 C ATOM 157 C ALA A 12 -4.870 5.049 -5.028 1.00 0.21 C ATOM 158 O ALA A 12 -5.968 4.812 -5.453 1.00 0.24 O ATOM 159 CB ALA A 12 -5.063 6.081 -2.758 1.00 0.28 C ATOM 0 H ALA A 12 -2.712 5.377 -2.815 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.158 4.017 -3.205 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.116 6.262 -2.971 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.936 5.891 -1.692 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.479 6.957 -3.043 1.00 0.28 H new ATOM 165 N GLU A 13 -3.869 5.447 -5.802 1.00 0.24 N ATOM 166 CA GLU A 13 -3.999 5.532 -7.260 1.00 0.29 C ATOM 167 C GLU A 13 -4.338 4.169 -7.825 1.00 0.28 C ATOM 168 O GLU A 13 -5.300 4.021 -8.592 1.00 0.37 O ATOM 169 CB GLU A 13 -2.713 6.062 -7.900 1.00 0.42 C ATOM 170 CG GLU A 13 -2.429 7.537 -7.654 1.00 0.94 C ATOM 171 CD GLU A 13 -3.346 8.441 -8.433 1.00 1.53 C ATOM 172 OE1 GLU A 13 -3.213 8.557 -9.671 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.247 9.042 -7.807 1.00 2.48 O ATOM 0 H GLU A 13 -2.952 5.718 -5.447 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.803 6.230 -7.492 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.872 5.479 -7.525 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.764 5.892 -8.975 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.532 7.750 -6.590 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.396 7.754 -7.924 1.00 0.94 H new ATOM 180 N ILE A 14 -3.579 3.164 -7.425 1.00 0.24 N ATOM 181 CA ILE A 14 -3.861 1.826 -7.876 1.00 0.28 C ATOM 182 C ILE A 14 -5.124 1.286 -7.157 1.00 0.25 C ATOM 183 O ILE A 14 -6.036 0.755 -7.800 1.00 0.32 O ATOM 184 CB ILE A 14 -2.657 0.820 -7.714 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.409 1.220 -8.537 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.080 -0.568 -8.115 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.428 2.137 -7.837 1.00 0.44 C ATOM 0 H ILE A 14 -2.778 3.252 -6.800 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.037 1.895 -8.949 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.379 0.850 -6.661 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.883 0.311 -8.830 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.742 1.706 -9.454 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.240 -1.252 -7.998 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.904 -0.894 -7.481 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.403 -0.564 -9.156 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.407 2.353 -8.503 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -0.928 3.068 -7.568 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.056 1.651 -6.935 1.00 0.44 H new ATOM 199 N VAL A 15 -5.203 1.477 -5.831 1.00 0.22 N ATOM 200 CA VAL A 15 -6.355 1.005 -5.046 1.00 0.22 C ATOM 201 C VAL A 15 -7.693 1.654 -5.501 1.00 0.22 C ATOM 202 O VAL A 15 -8.762 1.078 -5.342 1.00 0.25 O ATOM 203 CB VAL A 15 -6.140 1.114 -3.481 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.381 0.726 -2.715 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.023 0.201 -3.031 1.00 0.34 C ATOM 0 H VAL A 15 -4.487 1.952 -5.282 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.432 -0.061 -5.261 1.00 0.22 H new ATOM 0 HB VAL A 15 -5.895 2.156 -3.276 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.191 0.815 -1.645 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.202 1.387 -2.994 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.648 -0.304 -2.952 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.892 0.291 -1.953 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.273 -0.830 -3.281 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.098 0.483 -3.534 1.00 0.34 H new ATOM 215 N ASN A 16 -7.623 2.811 -6.118 1.00 0.24 N ATOM 216 CA ASN A 16 -8.813 3.474 -6.666 1.00 0.30 C ATOM 217 C ASN A 16 -9.404 2.662 -7.803 1.00 0.34 C ATOM 218 O ASN A 16 -10.608 2.520 -7.903 1.00 0.43 O ATOM 219 CB ASN A 16 -8.503 4.911 -7.126 1.00 0.37 C ATOM 220 CG ASN A 16 -9.658 5.581 -7.853 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.760 5.503 -9.070 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.533 6.228 -7.128 1.00 0.48 N ATOM 0 H ASN A 16 -6.754 3.326 -6.260 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.551 3.538 -5.866 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.235 5.512 -6.257 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.633 4.894 -7.782 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.328 6.685 -7.575 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.421 6.275 -6.115 1.00 0.48 H new ATOM 229 N GLU A 17 -8.550 2.081 -8.610 1.00 0.37 N ATOM 230 CA GLU A 17 -8.996 1.277 -9.734 1.00 0.48 C ATOM 231 C GLU A 17 -9.478 -0.093 -9.236 1.00 0.47 C ATOM 232 O GLU A 17 -10.417 -0.678 -9.782 1.00 0.60 O ATOM 233 CB GLU A 17 -7.847 1.117 -10.745 1.00 0.63 C ATOM 234 CG GLU A 17 -8.209 0.344 -12.004 1.00 1.05 C ATOM 235 CD GLU A 17 -7.046 0.209 -12.951 1.00 1.51 C ATOM 236 OE1 GLU A 17 -6.845 1.105 -13.805 1.00 1.70 O ATOM 237 OE2 GLU A 17 -6.326 -0.795 -12.878 1.00 2.11 O ATOM 0 H GLU A 17 -7.537 2.147 -8.513 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.829 1.775 -10.231 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.494 2.107 -11.032 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -7.016 0.613 -10.252 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -8.566 -0.648 -11.728 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -9.031 0.848 -12.512 1.00 1.05 H new ATOM 244 N ILE A 18 -8.850 -0.567 -8.178 1.00 0.39 N ATOM 245 CA ILE A 18 -9.141 -1.880 -7.613 1.00 0.43 C ATOM 246 C ILE A 18 -10.382 -1.863 -6.691 1.00 0.44 C ATOM 247 O ILE A 18 -11.311 -2.639 -6.882 1.00 0.53 O ATOM 248 CB ILE A 18 -7.894 -2.379 -6.819 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.703 -2.565 -7.771 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.181 -3.666 -6.057 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.438 -3.045 -7.098 1.00 0.71 C ATOM 0 H ILE A 18 -8.121 -0.055 -7.681 1.00 0.39 H new ATOM 0 HA ILE A 18 -9.366 -2.558 -8.436 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.644 -1.618 -6.079 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -6.981 -3.278 -8.547 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -6.499 -1.617 -8.268 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.286 -3.977 -5.519 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.991 -3.496 -5.347 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.472 -4.447 -6.759 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.648 -3.150 -7.841 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -5.131 -2.322 -6.342 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -5.621 -4.010 -6.625 1.00 0.71 H new ATOM 263 N ALA A 19 -10.388 -0.979 -5.719 1.00 0.40 N ATOM 264 CA ALA A 19 -11.447 -0.932 -4.725 1.00 0.46 C ATOM 265 C ALA A 19 -12.456 0.160 -5.011 1.00 0.45 C ATOM 266 O ALA A 19 -13.641 0.018 -4.681 1.00 0.68 O ATOM 267 CB ALA A 19 -10.858 -0.729 -3.344 1.00 0.52 C ATOM 0 H ALA A 19 -9.663 -0.273 -5.592 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.971 -1.887 -4.770 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.661 -0.695 -2.607 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.185 -1.554 -3.110 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.303 0.209 -3.319 1.00 0.52 H new ATOM 273 N GLY A 20 -12.009 1.229 -5.622 1.00 0.44 N ATOM 274 CA GLY A 20 -12.894 2.341 -5.892 1.00 0.46 C ATOM 275 C GLY A 20 -12.991 3.263 -4.702 1.00 0.52 C ATOM 276 O GLY A 20 -14.077 3.635 -4.284 1.00 0.93 O ATOM 0 H GLY A 20 -11.048 1.355 -5.940 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.531 2.896 -6.757 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.885 1.966 -6.147 1.00 0.46 H new ATOM 280 N ILE A 21 -11.857 3.602 -4.141 1.00 0.38 N ATOM 281 CA ILE A 21 -11.808 4.475 -2.986 1.00 0.39 C ATOM 282 C ILE A 21 -11.317 5.867 -3.356 1.00 0.43 C ATOM 283 O ILE A 21 -10.669 6.039 -4.394 1.00 0.50 O ATOM 284 CB ILE A 21 -10.942 3.877 -1.817 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.586 3.296 -2.294 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.722 2.848 -1.031 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.553 4.302 -2.781 1.00 0.43 C ATOM 0 H ILE A 21 -10.944 3.285 -4.467 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.832 4.558 -2.623 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.704 4.713 -1.160 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.149 2.729 -1.472 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.782 2.590 -3.101 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.098 2.452 -0.230 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.610 3.313 -0.603 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.022 2.035 -1.693 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.649 3.776 -3.087 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.956 4.855 -3.629 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.314 4.996 -1.976 1.00 0.43 H new ATOM 299 N PRO A 22 -11.642 6.871 -2.549 1.00 0.52 N ATOM 300 CA PRO A 22 -11.129 8.214 -2.727 1.00 0.60 C ATOM 301 C PRO A 22 -9.673 8.270 -2.255 1.00 0.55 C ATOM 302 O PRO A 22 -9.335 7.748 -1.178 1.00 0.52 O ATOM 303 CB PRO A 22 -12.030 9.071 -1.809 1.00 0.74 C ATOM 304 CG PRO A 22 -13.136 8.167 -1.384 1.00 0.75 C ATOM 305 CD PRO A 22 -12.551 6.798 -1.402 1.00 0.63 C ATOM 0 HA PRO A 22 -11.143 8.554 -3.763 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.474 9.443 -0.948 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.416 9.942 -2.339 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.497 8.428 -0.389 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -13.987 8.240 -2.061 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.023 6.568 -0.477 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.313 6.030 -1.534 1.00 0.63 H new ATOM 313 N VAL A 23 -8.824 8.901 -3.026 1.00 0.62 N ATOM 314 CA VAL A 23 -7.399 8.958 -2.715 1.00 0.65 C ATOM 315 C VAL A 23 -7.107 9.795 -1.470 1.00 0.73 C ATOM 316 O VAL A 23 -6.066 9.639 -0.836 1.00 1.02 O ATOM 317 CB VAL A 23 -6.551 9.477 -3.898 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.717 8.576 -5.112 1.00 1.48 C ATOM 319 CG2 VAL A 23 -6.930 10.915 -4.233 1.00 1.35 C ATOM 0 H VAL A 23 -9.087 9.389 -3.882 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.110 7.926 -2.515 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.501 9.460 -3.606 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -6.112 8.958 -5.934 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.393 7.566 -4.862 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.765 8.557 -5.411 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.324 11.266 -5.068 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -7.984 10.959 -4.506 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -6.753 11.550 -3.365 1.00 1.35 H new ATOM 329 N GLU A 24 -8.033 10.650 -1.111 1.00 0.66 N ATOM 330 CA GLU A 24 -7.887 11.476 0.062 1.00 0.76 C ATOM 331 C GLU A 24 -8.557 10.835 1.263 1.00 0.69 C ATOM 332 O GLU A 24 -8.464 11.341 2.388 1.00 0.80 O ATOM 333 CB GLU A 24 -8.420 12.907 -0.155 1.00 0.99 C ATOM 334 CG GLU A 24 -9.867 13.006 -0.638 1.00 1.22 C ATOM 335 CD GLU A 24 -10.025 12.717 -2.105 1.00 1.54 C ATOM 336 OE1 GLU A 24 -10.204 11.557 -2.463 1.00 2.03 O ATOM 337 OE2 GLU A 24 -9.964 13.648 -2.922 1.00 1.89 O ATOM 0 H GLU A 24 -8.905 10.793 -1.621 1.00 0.66 H new ATOM 0 HA GLU A 24 -6.818 11.557 0.258 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -8.330 13.455 0.783 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -7.779 13.409 -0.880 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.481 12.308 -0.069 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -10.245 14.007 -0.429 1.00 1.22 H new ATOM 344 N ASP A 25 -9.234 9.723 1.034 1.00 0.60 N ATOM 345 CA ASP A 25 -9.884 9.019 2.124 1.00 0.64 C ATOM 346 C ASP A 25 -8.863 8.164 2.806 1.00 0.55 C ATOM 347 O ASP A 25 -8.863 8.000 4.033 1.00 0.58 O ATOM 348 CB ASP A 25 -11.028 8.153 1.615 1.00 0.72 C ATOM 349 CG ASP A 25 -11.846 7.542 2.747 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.377 8.310 3.586 1.00 1.07 O ATOM 351 OD2 ASP A 25 -12.013 6.308 2.795 1.00 0.98 O ATOM 0 H ASP A 25 -9.347 9.293 0.116 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.303 9.744 2.821 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.681 8.754 0.983 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.626 7.356 0.990 1.00 0.72 H new ATOM 356 N VAL A 26 -7.961 7.664 2.006 1.00 0.51 N ATOM 357 CA VAL A 26 -6.882 6.836 2.457 1.00 0.47 C ATOM 358 C VAL A 26 -5.789 7.707 3.057 1.00 0.47 C ATOM 359 O VAL A 26 -4.956 8.256 2.348 1.00 0.51 O ATOM 360 CB VAL A 26 -6.305 5.990 1.288 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.229 5.028 1.785 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.412 5.224 0.585 1.00 0.70 C ATOM 0 H VAL A 26 -7.958 7.826 0.999 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.262 6.152 3.216 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.846 6.675 0.575 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.843 4.449 0.946 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.416 5.595 2.239 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.658 4.353 2.525 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.988 4.638 -0.230 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.901 4.557 1.295 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.143 5.926 0.185 1.00 0.70 H new ATOM 372 N LYS A 27 -5.909 7.961 4.330 1.00 0.49 N ATOM 373 CA LYS A 27 -4.869 8.628 5.067 1.00 0.54 C ATOM 374 C LYS A 27 -4.083 7.561 5.798 1.00 0.47 C ATOM 375 O LYS A 27 -4.440 6.396 5.711 1.00 0.51 O ATOM 376 CB LYS A 27 -5.438 9.674 6.019 1.00 0.65 C ATOM 377 CG LYS A 27 -6.244 10.761 5.315 1.00 0.83 C ATOM 378 CD LYS A 27 -6.675 11.861 6.270 1.00 1.53 C ATOM 379 CE LYS A 27 -7.464 11.314 7.441 1.00 2.02 C ATOM 380 NZ LYS A 27 -7.943 12.379 8.329 1.00 2.83 N ATOM 0 H LYS A 27 -6.727 7.713 4.886 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.213 9.176 4.391 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.074 9.179 6.753 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.619 10.138 6.568 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.646 11.192 4.512 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.126 10.316 4.853 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -5.795 12.387 6.639 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -7.281 12.591 5.733 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -8.315 10.743 7.069 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -6.839 10.624 8.008 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -8.478 11.960 9.117 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -7.131 12.909 8.705 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -8.560 13.024 7.796 1.00 2.83 H new ATOM 394 N LEU A 28 -3.092 7.936 6.571 1.00 0.49 N ATOM 395 CA LEU A 28 -2.150 6.966 7.137 1.00 0.47 C ATOM 396 C LEU A 28 -2.753 5.969 8.128 1.00 0.50 C ATOM 397 O LEU A 28 -2.200 4.894 8.336 1.00 0.56 O ATOM 398 CB LEU A 28 -0.908 7.631 7.719 1.00 0.54 C ATOM 399 CG LEU A 28 -0.027 8.363 6.708 1.00 0.53 C ATOM 400 CD1 LEU A 28 -0.478 9.795 6.472 1.00 1.07 C ATOM 401 CD2 LEU A 28 1.417 8.278 7.105 1.00 0.99 C ATOM 0 H LEU A 28 -2.906 8.905 6.830 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.853 6.368 6.275 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.221 8.341 8.485 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.307 6.870 8.216 1.00 0.54 H new ATOM 0 HG LEU A 28 -0.138 7.857 5.749 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.182 10.269 5.746 1.00 1.07 H new ATOM 0 HD12 LEU A 28 -1.499 9.797 6.090 1.00 1.07 H new ATOM 0 HD13 LEU A 28 -0.441 10.348 7.411 1.00 1.07 H new ATOM 0 HD21 LEU A 28 2.028 8.805 6.372 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.552 8.734 8.086 1.00 0.99 H new ATOM 0 HD23 LEU A 28 1.722 7.232 7.146 1.00 0.99 H new ATOM 413 N ASP A 29 -3.886 6.292 8.703 1.00 0.56 N ATOM 414 CA ASP A 29 -4.516 5.384 9.671 1.00 0.65 C ATOM 415 C ASP A 29 -5.398 4.341 8.969 1.00 0.61 C ATOM 416 O ASP A 29 -5.977 3.478 9.611 1.00 1.03 O ATOM 417 CB ASP A 29 -5.345 6.152 10.712 1.00 0.87 C ATOM 418 CG ASP A 29 -6.603 6.771 10.146 1.00 1.73 C ATOM 419 OD1 ASP A 29 -6.521 7.844 9.513 1.00 2.34 O ATOM 420 OD2 ASP A 29 -7.703 6.198 10.326 1.00 2.47 O ATOM 0 H ASP A 29 -4.395 7.159 8.531 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.708 4.866 10.188 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -5.616 5.474 11.521 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -4.728 6.938 11.148 1.00 0.87 H new ATOM 425 N LYS A 30 -5.476 4.418 7.656 1.00 0.43 N ATOM 426 CA LYS A 30 -6.294 3.502 6.866 1.00 0.39 C ATOM 427 C LYS A 30 -5.601 2.166 6.636 1.00 0.38 C ATOM 428 O LYS A 30 -4.430 2.119 6.290 1.00 0.57 O ATOM 429 CB LYS A 30 -6.649 4.142 5.520 1.00 0.44 C ATOM 430 CG LYS A 30 -7.682 5.240 5.615 1.00 0.51 C ATOM 431 CD LYS A 30 -9.069 4.655 5.576 1.00 0.75 C ATOM 432 CE LYS A 30 -10.141 5.677 5.871 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.153 6.029 7.294 1.00 1.06 N ATOM 0 H LYS A 30 -4.977 5.114 7.101 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.204 3.307 7.433 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.742 4.548 5.072 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.018 3.368 4.847 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.542 5.802 6.539 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.553 5.943 4.792 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.248 4.220 4.593 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.137 3.843 6.301 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.970 6.572 5.273 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -11.115 5.282 5.582 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -10.961 6.654 7.490 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.238 5.164 7.865 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -9.269 6.520 7.538 1.00 1.06 H new ATOM 447 N SER A 31 -6.318 1.101 6.869 1.00 0.46 N ATOM 448 CA SER A 31 -5.854 -0.229 6.577 1.00 0.44 C ATOM 449 C SER A 31 -6.684 -0.777 5.418 1.00 0.45 C ATOM 450 O SER A 31 -7.874 -0.440 5.300 1.00 0.57 O ATOM 451 CB SER A 31 -5.945 -1.106 7.827 1.00 0.49 C ATOM 452 OG SER A 31 -5.646 -2.455 7.542 1.00 1.31 O ATOM 0 H SER A 31 -7.254 1.132 7.273 1.00 0.46 H new ATOM 0 HA SER A 31 -4.805 -0.220 6.281 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.255 -0.733 8.584 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.948 -1.037 8.248 1.00 0.49 H new ATOM 0 HG SER A 31 -4.680 -2.600 7.621 1.00 1.31 H new ATOM 458 N PHE A 32 -6.085 -1.643 4.602 1.00 0.41 N ATOM 459 CA PHE A 32 -6.679 -2.073 3.339 1.00 0.46 C ATOM 460 C PHE A 32 -7.966 -2.857 3.512 1.00 0.55 C ATOM 461 O PHE A 32 -8.989 -2.489 2.958 1.00 1.03 O ATOM 462 CB PHE A 32 -5.667 -2.830 2.493 1.00 0.51 C ATOM 463 CG PHE A 32 -4.509 -1.976 2.045 1.00 0.50 C ATOM 464 CD1 PHE A 32 -4.603 -1.216 0.887 1.00 0.55 C ATOM 465 CD2 PHE A 32 -3.329 -1.936 2.769 1.00 0.52 C ATOM 466 CE1 PHE A 32 -3.545 -0.438 0.462 1.00 0.59 C ATOM 467 CE2 PHE A 32 -2.267 -1.158 2.347 1.00 0.58 C ATOM 468 CZ PHE A 32 -2.376 -0.410 1.193 1.00 0.60 C ATOM 0 H PHE A 32 -5.177 -2.065 4.798 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.961 -1.165 2.806 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -5.286 -3.676 3.065 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -6.169 -3.238 1.616 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -5.516 -1.234 0.311 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -3.237 -2.519 3.673 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -3.633 0.148 -0.441 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -1.352 -1.136 2.921 1.00 0.58 H new ATOM 0 HZ PHE A 32 -1.546 0.197 0.862 1.00 0.60 H new ATOM 478 N THR A 33 -7.936 -3.895 4.278 1.00 0.47 N ATOM 479 CA THR A 33 -9.133 -4.641 4.501 1.00 0.50 C ATOM 480 C THR A 33 -9.347 -4.813 5.998 1.00 0.60 C ATOM 481 O THR A 33 -9.101 -5.867 6.596 1.00 1.13 O ATOM 482 CB THR A 33 -9.167 -5.979 3.692 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.370 -6.711 3.946 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.952 -6.855 3.958 1.00 1.21 C ATOM 0 H THR A 33 -7.106 -4.245 4.757 1.00 0.47 H new ATOM 0 HA THR A 33 -9.983 -4.080 4.111 1.00 0.50 H new ATOM 0 HB THR A 33 -9.142 -5.698 2.639 1.00 0.65 H new ATOM 0 HG1 THR A 33 -10.364 -7.541 3.426 1.00 1.37 H new ATOM 0 HG21 THR A 33 -8.028 -7.770 3.371 1.00 1.21 H new ATOM 0 HG22 THR A 33 -7.047 -6.317 3.676 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.910 -7.106 5.018 1.00 1.21 H new ATOM 492 N ASP A 34 -9.709 -3.704 6.593 1.00 0.55 N ATOM 493 CA ASP A 34 -9.898 -3.576 8.027 1.00 0.60 C ATOM 494 C ASP A 34 -10.538 -2.241 8.282 1.00 0.58 C ATOM 495 O ASP A 34 -11.463 -2.111 9.071 1.00 0.75 O ATOM 496 CB ASP A 34 -8.551 -3.661 8.760 1.00 0.72 C ATOM 497 CG ASP A 34 -8.668 -3.504 10.257 1.00 1.46 C ATOM 498 OD1 ASP A 34 -9.271 -4.381 10.913 1.00 1.58 O ATOM 499 OD2 ASP A 34 -8.176 -2.501 10.810 1.00 2.31 O ATOM 0 H ASP A 34 -9.887 -2.838 6.084 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.529 -4.385 8.397 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.086 -4.622 8.539 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -7.886 -2.889 8.373 1.00 0.72 H new ATOM 504 N ASP A 35 -10.039 -1.239 7.585 1.00 0.48 N ATOM 505 CA ASP A 35 -10.615 0.100 7.664 1.00 0.50 C ATOM 506 C ASP A 35 -11.339 0.371 6.365 1.00 0.56 C ATOM 507 O ASP A 35 -12.465 0.860 6.345 1.00 0.86 O ATOM 508 CB ASP A 35 -9.522 1.149 7.844 1.00 0.47 C ATOM 509 CG ASP A 35 -10.034 2.439 8.462 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.684 3.217 7.745 1.00 1.67 O ATOM 511 OD2 ASP A 35 -9.841 2.673 9.655 1.00 1.47 O ATOM 0 H ASP A 35 -9.239 -1.320 6.958 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.292 0.154 8.516 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.733 0.739 8.474 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.074 1.369 6.875 1.00 0.47 H new ATOM 516 N LEU A 36 -10.672 0.024 5.278 1.00 0.44 N ATOM 517 CA LEU A 36 -11.199 0.178 3.944 1.00 0.49 C ATOM 518 C LEU A 36 -11.941 -1.083 3.523 1.00 0.53 C ATOM 519 O LEU A 36 -11.900 -2.104 4.223 1.00 0.64 O ATOM 520 CB LEU A 36 -10.048 0.437 2.971 1.00 0.51 C ATOM 521 CG LEU A 36 -9.246 1.708 3.198 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.993 1.704 2.335 1.00 0.65 C ATOM 523 CD2 LEU A 36 -10.097 2.898 2.851 1.00 0.69 C ATOM 0 H LEU A 36 -9.735 -0.378 5.304 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.892 1.019 3.931 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.365 -0.411 3.016 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -10.455 0.465 1.960 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.948 1.760 4.245 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -7.429 2.620 2.508 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.376 0.844 2.594 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -8.275 1.645 1.284 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -9.526 3.813 3.012 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -10.398 2.837 1.805 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.984 2.908 3.484 1.00 0.69 H new ATOM 535 N ASP A 37 -12.560 -1.018 2.365 1.00 0.63 N ATOM 536 CA ASP A 37 -13.344 -2.117 1.798 1.00 0.76 C ATOM 537 C ASP A 37 -12.607 -2.708 0.609 1.00 0.78 C ATOM 538 O ASP A 37 -13.210 -3.281 -0.298 1.00 1.33 O ATOM 539 CB ASP A 37 -14.738 -1.612 1.366 1.00 1.14 C ATOM 540 CG ASP A 37 -14.703 -0.501 0.322 1.00 1.49 C ATOM 541 OD1 ASP A 37 -14.293 0.634 0.639 1.00 2.15 O ATOM 542 OD2 ASP A 37 -15.029 -0.777 -0.864 1.00 1.96 O ATOM 0 H ASP A 37 -12.538 -0.188 1.772 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.476 -2.889 2.556 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -15.309 -2.451 0.969 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -15.271 -1.252 2.246 1.00 1.14 H new ATOM 547 N VAL A 38 -11.301 -2.617 0.663 1.00 0.65 N ATOM 548 CA VAL A 38 -10.434 -3.101 -0.396 1.00 0.96 C ATOM 549 C VAL A 38 -10.317 -4.611 -0.289 1.00 0.89 C ATOM 550 O VAL A 38 -9.905 -5.120 0.764 1.00 1.43 O ATOM 551 CB VAL A 38 -9.013 -2.493 -0.246 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.099 -2.923 -1.391 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.083 -0.981 -0.155 1.00 2.14 C ATOM 0 H VAL A 38 -10.800 -2.202 1.449 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.858 -2.812 -1.358 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.586 -2.875 0.681 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.112 -2.480 -1.255 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.011 -4.009 -1.398 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.520 -2.587 -2.339 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.077 -0.576 -0.050 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.542 -0.583 -1.060 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.681 -0.696 0.711 1.00 2.14 H new ATOM 563 N ASP A 39 -10.764 -5.317 -1.325 1.00 0.82 N ATOM 564 CA ASP A 39 -10.632 -6.781 -1.396 1.00 1.15 C ATOM 565 C ASP A 39 -9.183 -7.154 -1.160 1.00 1.18 C ATOM 566 O ASP A 39 -8.279 -6.597 -1.792 1.00 2.04 O ATOM 567 CB ASP A 39 -11.070 -7.347 -2.761 1.00 1.60 C ATOM 568 CG ASP A 39 -12.541 -7.208 -3.077 1.00 2.37 C ATOM 569 OD1 ASP A 39 -12.942 -6.173 -3.660 1.00 2.96 O ATOM 570 OD2 ASP A 39 -13.329 -8.108 -2.717 1.00 2.78 O ATOM 0 H ASP A 39 -11.224 -4.901 -2.135 1.00 0.82 H new ATOM 0 HA ASP A 39 -11.284 -7.208 -0.634 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -10.499 -6.847 -3.543 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.806 -8.404 -2.799 1.00 1.60 H new ATOM 575 N SER A 40 -8.963 -8.088 -0.285 1.00 0.85 N ATOM 576 CA SER A 40 -7.634 -8.448 0.151 1.00 0.86 C ATOM 577 C SER A 40 -6.823 -9.076 -0.973 1.00 0.74 C ATOM 578 O SER A 40 -5.711 -8.644 -1.264 1.00 0.81 O ATOM 579 CB SER A 40 -7.756 -9.374 1.309 1.00 1.19 C ATOM 580 OG SER A 40 -8.536 -10.530 0.901 1.00 1.18 O ATOM 0 H SER A 40 -9.705 -8.632 0.156 1.00 0.85 H new ATOM 0 HA SER A 40 -7.097 -7.548 0.451 1.00 0.86 H new ATOM 0 HB2 SER A 40 -6.768 -9.686 1.649 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.238 -8.870 2.147 1.00 1.19 H new ATOM 0 HG SER A 40 -8.622 -11.149 1.656 1.00 1.18 H new ATOM 585 N LEU A 41 -7.411 -10.059 -1.648 1.00 0.71 N ATOM 586 CA LEU A 41 -6.752 -10.714 -2.775 1.00 0.70 C ATOM 587 C LEU A 41 -6.457 -9.696 -3.879 1.00 0.65 C ATOM 588 O LEU A 41 -5.523 -9.844 -4.658 1.00 0.71 O ATOM 589 CB LEU A 41 -7.582 -11.885 -3.362 1.00 0.83 C ATOM 590 CG LEU A 41 -7.682 -13.192 -2.541 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.486 -13.017 -1.267 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.270 -14.304 -3.391 1.00 1.34 C ATOM 0 H LEU A 41 -8.341 -10.420 -1.435 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.822 -11.134 -2.390 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.595 -11.522 -3.535 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.163 -12.135 -4.337 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.669 -13.463 -2.243 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.525 -13.964 -0.729 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.013 -12.262 -0.639 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.498 -12.699 -1.516 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.335 -15.218 -2.801 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.267 -14.017 -3.726 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.631 -14.476 -4.257 1.00 1.34 H new ATOM 604 N SER A 42 -7.248 -8.658 -3.914 1.00 0.65 N ATOM 605 CA SER A 42 -7.102 -7.608 -4.876 1.00 0.66 C ATOM 606 C SER A 42 -6.027 -6.588 -4.422 1.00 0.50 C ATOM 607 O SER A 42 -5.416 -5.913 -5.236 1.00 0.47 O ATOM 608 CB SER A 42 -8.443 -6.944 -5.048 1.00 0.84 C ATOM 609 OG SER A 42 -9.439 -7.897 -5.421 1.00 1.26 O ATOM 0 H SER A 42 -8.022 -8.519 -3.264 1.00 0.65 H new ATOM 0 HA SER A 42 -6.767 -8.017 -5.829 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.733 -6.454 -4.118 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.374 -6.167 -5.810 1.00 0.84 H new ATOM 0 HG SER A 42 -10.260 -7.428 -5.680 1.00 1.26 H new ATOM 615 N MET A 43 -5.785 -6.509 -3.121 1.00 0.45 N ATOM 616 CA MET A 43 -4.753 -5.628 -2.556 1.00 0.35 C ATOM 617 C MET A 43 -3.387 -6.194 -2.916 1.00 0.30 C ATOM 618 O MET A 43 -2.413 -5.484 -3.069 1.00 0.27 O ATOM 619 CB MET A 43 -4.936 -5.530 -1.032 1.00 0.39 C ATOM 620 CG MET A 43 -4.128 -4.439 -0.331 1.00 0.47 C ATOM 621 SD MET A 43 -2.342 -4.723 -0.195 1.00 0.97 S ATOM 622 CE MET A 43 -2.291 -6.214 0.795 1.00 0.54 C ATOM 0 H MET A 43 -6.294 -7.050 -2.422 1.00 0.45 H new ATOM 0 HA MET A 43 -4.838 -4.622 -2.966 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.993 -5.364 -0.822 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.671 -6.491 -0.591 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.286 -3.501 -0.864 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.531 -4.307 0.673 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.291 -6.341 1.211 1.00 0.54 H new ATOM 0 HE2 MET A 43 -3.014 -6.137 1.607 1.00 0.54 H new ATOM 0 HE3 MET A 43 -2.536 -7.074 0.171 1.00 0.54 H new ATOM 632 N VAL A 44 -3.350 -7.471 -3.134 1.00 0.36 N ATOM 633 CA VAL A 44 -2.131 -8.145 -3.576 1.00 0.39 C ATOM 634 C VAL A 44 -1.713 -7.569 -4.942 1.00 0.37 C ATOM 635 O VAL A 44 -0.532 -7.461 -5.272 1.00 0.42 O ATOM 636 CB VAL A 44 -2.351 -9.668 -3.693 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.054 -10.403 -4.012 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.980 -10.199 -2.424 1.00 0.57 C ATOM 0 H VAL A 44 -4.152 -8.090 -3.016 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.345 -7.976 -2.840 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.032 -9.849 -4.525 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.251 -11.473 -4.086 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.654 -10.041 -4.959 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.329 -10.222 -3.219 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.132 -11.275 -2.516 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.322 -9.996 -1.579 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.940 -9.710 -2.262 1.00 0.57 H new ATOM 648 N GLU A 45 -2.705 -7.104 -5.668 1.00 0.37 N ATOM 649 CA GLU A 45 -2.507 -6.531 -6.957 1.00 0.38 C ATOM 650 C GLU A 45 -2.027 -5.087 -6.854 1.00 0.31 C ATOM 651 O GLU A 45 -1.456 -4.557 -7.810 1.00 0.37 O ATOM 652 CB GLU A 45 -3.775 -6.624 -7.760 1.00 0.46 C ATOM 653 CG GLU A 45 -4.277 -8.039 -7.880 1.00 0.64 C ATOM 654 CD GLU A 45 -5.502 -8.132 -8.708 1.00 1.21 C ATOM 655 OE1 GLU A 45 -5.384 -8.146 -9.947 1.00 1.31 O ATOM 656 OE2 GLU A 45 -6.601 -8.206 -8.152 1.00 2.06 O ATOM 0 H GLU A 45 -3.679 -7.119 -5.366 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.727 -7.095 -7.469 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.543 -6.007 -7.293 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.601 -6.217 -8.756 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.497 -8.663 -8.317 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.482 -8.435 -6.885 1.00 0.64 H new ATOM 663 N VAL A 46 -2.253 -4.441 -5.709 1.00 0.30 N ATOM 664 CA VAL A 46 -1.741 -3.103 -5.526 1.00 0.30 C ATOM 665 C VAL A 46 -0.338 -3.157 -4.970 1.00 0.29 C ATOM 666 O VAL A 46 0.498 -2.372 -5.353 1.00 0.39 O ATOM 667 CB VAL A 46 -2.648 -2.146 -4.656 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.766 -2.579 -3.217 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.147 -0.714 -4.724 1.00 1.43 C ATOM 0 H VAL A 46 -2.775 -4.820 -4.919 1.00 0.30 H new ATOM 0 HA VAL A 46 -1.741 -2.656 -6.520 1.00 0.30 H new ATOM 0 HB VAL A 46 -3.646 -2.206 -5.090 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.402 -1.878 -2.677 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.204 -3.576 -3.172 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -1.777 -2.597 -2.760 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -2.788 -0.075 -4.117 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.126 -0.667 -4.346 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.167 -0.370 -5.758 1.00 1.43 H new ATOM 679 N VAL A 47 -0.063 -4.127 -4.108 1.00 0.28 N ATOM 680 CA VAL A 47 1.274 -4.238 -3.544 1.00 0.33 C ATOM 681 C VAL A 47 2.309 -4.599 -4.623 1.00 0.31 C ATOM 682 O VAL A 47 3.388 -4.011 -4.670 1.00 0.35 O ATOM 683 CB VAL A 47 1.367 -5.180 -2.293 1.00 0.41 C ATOM 684 CG1 VAL A 47 1.005 -6.617 -2.610 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.746 -5.097 -1.660 1.00 0.53 C ATOM 0 H VAL A 47 -0.729 -4.831 -3.791 1.00 0.28 H new ATOM 0 HA VAL A 47 1.518 -3.246 -3.163 1.00 0.33 H new ATOM 0 HB VAL A 47 0.627 -4.824 -1.576 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.088 -7.221 -1.706 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.018 -6.661 -2.983 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.685 -7.005 -3.369 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.789 -5.758 -0.794 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.499 -5.402 -2.387 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.940 -4.072 -1.344 1.00 0.53 H new ATOM 695 N VAL A 48 1.948 -5.504 -5.536 1.00 0.29 N ATOM 696 CA VAL A 48 2.846 -5.858 -6.632 1.00 0.31 C ATOM 697 C VAL A 48 3.052 -4.644 -7.559 1.00 0.29 C ATOM 698 O VAL A 48 4.152 -4.403 -8.068 1.00 0.35 O ATOM 699 CB VAL A 48 2.354 -7.114 -7.441 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.006 -6.886 -8.109 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.389 -7.548 -8.467 1.00 0.65 C ATOM 0 H VAL A 48 1.055 -5.997 -5.538 1.00 0.29 H new ATOM 0 HA VAL A 48 3.803 -6.137 -6.192 1.00 0.31 H new ATOM 0 HB VAL A 48 2.224 -7.917 -6.715 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.713 -7.784 -8.654 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.257 -6.662 -7.350 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.081 -6.049 -8.803 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.020 -8.418 -9.010 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.571 -6.733 -9.168 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.319 -7.804 -7.960 1.00 0.65 H new ATOM 711 N ALA A 49 2.005 -3.845 -7.711 1.00 0.28 N ATOM 712 CA ALA A 49 2.062 -2.653 -8.526 1.00 0.28 C ATOM 713 C ALA A 49 2.829 -1.555 -7.804 1.00 0.27 C ATOM 714 O ALA A 49 3.431 -0.706 -8.421 1.00 0.32 O ATOM 715 CB ALA A 49 0.664 -2.179 -8.889 1.00 0.32 C ATOM 0 H ALA A 49 1.099 -4.009 -7.272 1.00 0.28 H new ATOM 0 HA ALA A 49 2.588 -2.894 -9.450 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.732 -1.281 -9.503 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.148 -2.961 -9.446 1.00 0.32 H new ATOM 0 HB3 ALA A 49 0.108 -1.955 -7.979 1.00 0.32 H new ATOM 721 N ALA A 50 2.825 -1.601 -6.497 1.00 0.27 N ATOM 722 CA ALA A 50 3.525 -0.629 -5.700 1.00 0.30 C ATOM 723 C ALA A 50 5.023 -0.838 -5.810 1.00 0.29 C ATOM 724 O ALA A 50 5.788 0.132 -5.826 1.00 0.32 O ATOM 725 CB ALA A 50 3.076 -0.688 -4.248 1.00 0.36 C ATOM 0 H ALA A 50 2.336 -2.314 -5.956 1.00 0.27 H new ATOM 0 HA ALA A 50 3.285 0.363 -6.082 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.621 0.057 -3.668 1.00 0.36 H new ATOM 0 HB2 ALA A 50 2.007 -0.483 -4.189 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.278 -1.680 -3.845 1.00 0.36 H new ATOM 731 N GLU A 51 5.430 -2.100 -5.935 1.00 0.32 N ATOM 732 CA GLU A 51 6.839 -2.450 -6.072 1.00 0.39 C ATOM 733 C GLU A 51 7.443 -1.781 -7.301 1.00 0.39 C ATOM 734 O GLU A 51 8.557 -1.293 -7.265 1.00 0.47 O ATOM 735 CB GLU A 51 7.031 -3.960 -6.167 1.00 0.49 C ATOM 736 CG GLU A 51 6.473 -4.734 -4.994 1.00 0.36 C ATOM 737 CD GLU A 51 6.768 -6.208 -5.093 1.00 0.44 C ATOM 738 OE1 GLU A 51 5.973 -6.949 -5.704 1.00 0.70 O ATOM 739 OE2 GLU A 51 7.813 -6.662 -4.563 1.00 0.78 O ATOM 0 H GLU A 51 4.798 -2.900 -5.944 1.00 0.32 H new ATOM 0 HA GLU A 51 7.351 -2.091 -5.179 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.558 -4.318 -7.081 1.00 0.49 H new ATOM 0 HB3 GLU A 51 8.096 -4.174 -6.255 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.895 -4.342 -4.069 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.395 -4.584 -4.942 1.00 0.36 H new ATOM 746 N GLU A 52 6.699 -1.771 -8.376 1.00 0.36 N ATOM 747 CA GLU A 52 7.138 -1.139 -9.608 1.00 0.41 C ATOM 748 C GLU A 52 6.857 0.373 -9.607 1.00 0.38 C ATOM 749 O GLU A 52 7.633 1.154 -10.145 1.00 0.47 O ATOM 750 CB GLU A 52 6.477 -1.804 -10.810 1.00 0.49 C ATOM 751 CG GLU A 52 4.970 -1.886 -10.694 1.00 0.53 C ATOM 752 CD GLU A 52 4.314 -2.456 -11.903 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.238 -3.696 -12.024 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.862 -1.679 -12.761 1.00 0.94 O ATOM 0 H GLU A 52 5.774 -2.197 -8.430 1.00 0.36 H new ATOM 0 HA GLU A 52 8.218 -1.270 -9.679 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.736 -1.249 -11.712 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.881 -2.810 -10.928 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.712 -2.496 -9.828 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.572 -0.888 -10.510 1.00 0.53 H new ATOM 761 N ARG A 53 5.739 0.768 -9.007 1.00 0.32 N ATOM 762 CA ARG A 53 5.309 2.167 -8.983 1.00 0.36 C ATOM 763 C ARG A 53 6.241 3.015 -8.137 1.00 0.35 C ATOM 764 O ARG A 53 6.706 4.070 -8.565 1.00 0.48 O ATOM 765 CB ARG A 53 3.869 2.286 -8.434 1.00 0.46 C ATOM 766 CG ARG A 53 3.256 3.700 -8.404 1.00 1.11 C ATOM 767 CD ARG A 53 2.969 4.259 -9.803 1.00 1.21 C ATOM 768 NE ARG A 53 4.183 4.546 -10.572 1.00 2.17 N ATOM 769 CZ ARG A 53 4.459 4.061 -11.790 1.00 2.78 C ATOM 770 NH1 ARG A 53 3.625 3.219 -12.385 1.00 2.79 N ATOM 771 NH2 ARG A 53 5.577 4.424 -12.398 1.00 3.85 N ATOM 0 H ARG A 53 5.105 0.132 -8.524 1.00 0.32 H new ATOM 0 HA ARG A 53 5.336 2.533 -10.009 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.222 1.647 -9.034 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.857 1.888 -7.419 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.329 3.676 -7.831 1.00 1.11 H new ATOM 0 HG3 ARG A 53 3.936 4.374 -7.882 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.358 3.544 -10.354 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.382 5.173 -9.708 1.00 1.21 H new ATOM 0 HE ARG A 53 4.873 5.165 -10.146 1.00 2.17 H new ATOM 0 HH11 ARG A 53 2.765 2.936 -11.915 1.00 2.79 H new ATOM 0 HH12 ARG A 53 3.843 2.855 -13.312 1.00 2.79 H new ATOM 0 HH21 ARG A 53 6.221 5.068 -11.939 1.00 3.85 H new ATOM 0 HH22 ARG A 53 5.795 4.059 -13.325 1.00 3.85 H new ATOM 785 N PHE A 54 6.517 2.549 -6.949 1.00 0.29 N ATOM 786 CA PHE A 54 7.317 3.309 -6.020 1.00 0.30 C ATOM 787 C PHE A 54 8.757 2.859 -6.046 1.00 0.33 C ATOM 788 O PHE A 54 9.605 3.427 -5.344 1.00 0.40 O ATOM 789 CB PHE A 54 6.775 3.159 -4.619 1.00 0.31 C ATOM 790 CG PHE A 54 5.362 3.562 -4.501 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.975 4.860 -4.767 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.413 2.639 -4.149 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.663 5.218 -4.672 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.105 2.993 -4.056 1.00 0.38 C ATOM 795 CZ PHE A 54 2.730 4.276 -4.316 1.00 0.37 C ATOM 0 H PHE A 54 6.200 1.645 -6.599 1.00 0.29 H new ATOM 0 HA PHE A 54 7.271 4.355 -6.322 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.878 2.120 -4.305 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.376 3.760 -3.937 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.714 5.594 -5.051 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.708 1.620 -3.944 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.360 6.235 -4.875 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.364 2.259 -3.776 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.689 4.555 -4.241 1.00 0.37 H new ATOM 805 N ASP A 55 9.013 1.792 -6.814 1.00 0.36 N ATOM 806 CA ASP A 55 10.358 1.194 -7.006 1.00 0.44 C ATOM 807 C ASP A 55 10.800 0.353 -5.791 1.00 0.46 C ATOM 808 O ASP A 55 11.731 -0.442 -5.862 1.00 0.77 O ATOM 809 CB ASP A 55 11.398 2.265 -7.399 1.00 0.53 C ATOM 810 CG ASP A 55 12.799 1.727 -7.603 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.972 0.806 -8.416 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.755 2.216 -6.943 1.00 1.95 O ATOM 0 H ASP A 55 8.283 1.304 -7.333 1.00 0.36 H new ATOM 0 HA ASP A 55 10.290 0.498 -7.842 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.071 2.752 -8.317 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.425 3.031 -6.624 1.00 0.53 H new ATOM 817 N VAL A 56 10.080 0.492 -4.709 1.00 0.35 N ATOM 818 CA VAL A 56 10.346 -0.237 -3.495 1.00 0.40 C ATOM 819 C VAL A 56 9.719 -1.629 -3.558 1.00 0.52 C ATOM 820 O VAL A 56 8.504 -1.790 -3.597 1.00 1.14 O ATOM 821 CB VAL A 56 9.853 0.556 -2.248 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.381 0.924 -2.346 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.141 -0.204 -0.955 1.00 1.37 C ATOM 0 H VAL A 56 9.281 1.123 -4.644 1.00 0.35 H new ATOM 0 HA VAL A 56 11.425 -0.360 -3.396 1.00 0.40 H new ATOM 0 HB VAL A 56 10.418 1.488 -2.226 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.084 1.475 -1.454 1.00 1.00 H new ATOM 0 HG12 VAL A 56 8.219 1.545 -3.227 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.784 0.016 -2.427 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.785 0.377 -0.104 1.00 1.37 H new ATOM 0 HG22 VAL A 56 9.630 -1.166 -0.977 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.215 -0.366 -0.859 1.00 1.37 H new ATOM 833 N LYS A 57 10.555 -2.607 -3.640 1.00 0.41 N ATOM 834 CA LYS A 57 10.119 -3.979 -3.688 1.00 0.40 C ATOM 835 C LYS A 57 9.678 -4.415 -2.304 1.00 0.45 C ATOM 836 O LYS A 57 10.401 -4.227 -1.322 1.00 0.67 O ATOM 837 CB LYS A 57 11.227 -4.851 -4.255 1.00 0.57 C ATOM 838 CG LYS A 57 11.534 -4.507 -5.706 1.00 1.30 C ATOM 839 CD LYS A 57 12.761 -5.219 -6.238 1.00 1.77 C ATOM 840 CE LYS A 57 14.026 -4.785 -5.511 1.00 2.45 C ATOM 841 NZ LYS A 57 14.200 -3.311 -5.524 1.00 3.34 N ATOM 0 H LYS A 57 11.567 -2.487 -3.676 1.00 0.41 H new ATOM 0 HA LYS A 57 9.261 -4.085 -4.351 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.128 -4.729 -3.654 1.00 0.57 H new ATOM 0 HB3 LYS A 57 10.936 -5.899 -4.184 1.00 0.57 H new ATOM 0 HG2 LYS A 57 10.674 -4.766 -6.324 1.00 1.30 H new ATOM 0 HG3 LYS A 57 11.679 -3.430 -5.795 1.00 1.30 H new ATOM 0 HD2 LYS A 57 12.631 -6.296 -6.131 1.00 1.77 H new ATOM 0 HD3 LYS A 57 12.866 -5.015 -7.304 1.00 1.77 H new ATOM 0 HE2 LYS A 57 13.989 -5.136 -4.480 1.00 2.45 H new ATOM 0 HE3 LYS A 57 14.891 -5.256 -5.978 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 15.176 -3.074 -5.252 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 14.008 -2.947 -6.479 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 13.538 -2.877 -4.849 1.00 3.34 H new ATOM 855 N ILE A 58 8.503 -4.977 -2.233 1.00 0.36 N ATOM 856 CA ILE A 58 7.862 -5.306 -0.983 1.00 0.42 C ATOM 857 C ILE A 58 7.562 -6.802 -0.961 1.00 0.46 C ATOM 858 O ILE A 58 6.670 -7.273 -1.668 1.00 0.52 O ATOM 859 CB ILE A 58 6.538 -4.508 -0.840 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.812 -3.010 -1.049 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.921 -4.747 0.543 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.576 -2.175 -1.268 1.00 0.57 C ATOM 0 H ILE A 58 7.952 -5.225 -3.055 1.00 0.36 H new ATOM 0 HA ILE A 58 8.521 -5.046 -0.155 1.00 0.42 H new ATOM 0 HB ILE A 58 5.832 -4.850 -1.597 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.346 -2.626 -0.180 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.473 -2.890 -1.907 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.993 -4.182 0.630 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.712 -5.809 0.669 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.619 -4.420 1.314 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.861 -1.132 -1.406 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.051 -2.528 -2.155 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.921 -2.260 -0.401 1.00 0.57 H new ATOM 874 N PRO A 59 8.360 -7.569 -0.219 1.00 0.47 N ATOM 875 CA PRO A 59 8.223 -9.031 -0.112 1.00 0.53 C ATOM 876 C PRO A 59 6.925 -9.471 0.577 1.00 0.53 C ATOM 877 O PRO A 59 6.383 -8.758 1.426 1.00 0.46 O ATOM 878 CB PRO A 59 9.434 -9.436 0.743 1.00 0.59 C ATOM 879 CG PRO A 59 10.362 -8.281 0.655 1.00 0.63 C ATOM 880 CD PRO A 59 9.482 -7.082 0.584 1.00 0.50 C ATOM 0 HA PRO A 59 8.186 -9.498 -1.096 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.142 -9.632 1.775 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.899 -10.347 0.365 1.00 0.59 H new ATOM 0 HG2 PRO A 59 11.020 -8.237 1.523 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.001 -8.354 -0.225 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.162 -6.753 1.573 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.983 -6.236 0.113 1.00 0.50 H new ATOM 888 N ASP A 60 6.472 -10.664 0.216 1.00 0.68 N ATOM 889 CA ASP A 60 5.240 -11.303 0.733 1.00 0.77 C ATOM 890 C ASP A 60 5.227 -11.335 2.256 1.00 0.70 C ATOM 891 O ASP A 60 4.230 -10.977 2.900 1.00 0.69 O ATOM 892 CB ASP A 60 5.163 -12.735 0.187 1.00 1.08 C ATOM 893 CG ASP A 60 3.983 -13.532 0.698 1.00 1.50 C ATOM 894 OD1 ASP A 60 2.888 -13.449 0.101 1.00 1.84 O ATOM 895 OD2 ASP A 60 4.108 -14.203 1.740 1.00 2.30 O ATOM 0 H ASP A 60 6.959 -11.244 -0.467 1.00 0.68 H new ATOM 0 HA ASP A 60 4.379 -10.721 0.405 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.116 -12.695 -0.901 1.00 1.08 H new ATOM 0 HB3 ASP A 60 6.082 -13.261 0.447 1.00 1.08 H new ATOM 900 N ASP A 61 6.364 -11.712 2.819 1.00 0.75 N ATOM 901 CA ASP A 61 6.550 -11.796 4.273 1.00 0.85 C ATOM 902 C ASP A 61 6.421 -10.436 4.938 1.00 0.71 C ATOM 903 O ASP A 61 6.101 -10.341 6.119 1.00 0.79 O ATOM 904 CB ASP A 61 7.910 -12.435 4.637 1.00 1.13 C ATOM 905 CG ASP A 61 7.948 -13.950 4.481 1.00 1.80 C ATOM 906 OD1 ASP A 61 7.872 -14.464 3.340 1.00 2.38 O ATOM 907 OD2 ASP A 61 8.078 -14.667 5.507 1.00 2.31 O ATOM 0 H ASP A 61 7.193 -11.971 2.284 1.00 0.75 H new ATOM 0 HA ASP A 61 5.754 -12.438 4.651 1.00 0.85 H new ATOM 0 HB2 ASP A 61 8.685 -11.996 4.008 1.00 1.13 H new ATOM 0 HB3 ASP A 61 8.154 -12.181 5.668 1.00 1.13 H new ATOM 912 N ASP A 62 6.682 -9.382 4.194 1.00 0.60 N ATOM 913 CA ASP A 62 6.552 -8.035 4.729 1.00 0.62 C ATOM 914 C ASP A 62 5.145 -7.527 4.588 1.00 0.51 C ATOM 915 O ASP A 62 4.642 -6.857 5.475 1.00 0.61 O ATOM 916 CB ASP A 62 7.553 -7.049 4.129 1.00 0.74 C ATOM 917 CG ASP A 62 8.964 -7.302 4.591 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.207 -7.357 5.804 1.00 1.17 O ATOM 919 OD2 ASP A 62 9.850 -7.501 3.735 1.00 1.52 O ATOM 0 H ASP A 62 6.984 -9.427 3.221 1.00 0.60 H new ATOM 0 HA ASP A 62 6.790 -8.107 5.790 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.514 -7.114 3.042 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.263 -6.033 4.399 1.00 0.74 H new ATOM 924 N VAL A 63 4.505 -7.873 3.474 1.00 0.43 N ATOM 925 CA VAL A 63 3.103 -7.503 3.202 1.00 0.46 C ATOM 926 C VAL A 63 2.216 -7.968 4.362 1.00 0.46 C ATOM 927 O VAL A 63 1.528 -7.169 4.998 1.00 0.55 O ATOM 928 CB VAL A 63 2.595 -8.180 1.888 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.144 -7.807 1.600 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.470 -7.804 0.707 1.00 0.73 C ATOM 0 H VAL A 63 4.937 -8.419 2.728 1.00 0.43 H new ATOM 0 HA VAL A 63 3.052 -6.420 3.092 1.00 0.46 H new ATOM 0 HB VAL A 63 2.653 -9.258 2.035 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.819 -8.293 0.680 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.513 -8.135 2.426 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.062 -6.726 1.488 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.094 -8.289 -0.194 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.453 -6.723 0.571 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.493 -8.130 0.894 1.00 0.73 H new ATOM 940 N LYS A 64 2.295 -9.254 4.656 1.00 0.46 N ATOM 941 CA LYS A 64 1.495 -9.899 5.709 1.00 0.55 C ATOM 942 C LYS A 64 1.863 -9.399 7.108 1.00 0.54 C ATOM 943 O LYS A 64 1.145 -9.663 8.082 1.00 0.63 O ATOM 944 CB LYS A 64 1.722 -11.403 5.661 1.00 0.68 C ATOM 945 CG LYS A 64 1.318 -12.047 4.364 1.00 0.77 C ATOM 946 CD LYS A 64 1.715 -13.502 4.335 1.00 0.99 C ATOM 947 CE LYS A 64 1.283 -14.139 3.045 1.00 1.17 C ATOM 948 NZ LYS A 64 1.778 -15.513 2.906 1.00 1.24 N ATOM 0 H LYS A 64 2.921 -9.896 4.170 1.00 0.46 H new ATOM 0 HA LYS A 64 0.451 -9.649 5.522 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.778 -11.606 5.841 1.00 0.68 H new ATOM 0 HB3 LYS A 64 1.165 -11.869 6.474 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.240 -11.958 4.230 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.787 -11.522 3.532 1.00 0.77 H new ATOM 0 HD2 LYS A 64 2.795 -13.593 4.448 1.00 0.99 H new ATOM 0 HD3 LYS A 64 1.261 -14.026 5.176 1.00 0.99 H new ATOM 0 HE2 LYS A 64 0.194 -14.141 2.991 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.643 -13.540 2.209 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 1.125 -16.058 2.308 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 2.720 -15.500 2.466 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 1.840 -15.956 3.845 1.00 1.24 H new ATOM 962 N ASN A 65 2.958 -8.689 7.202 1.00 0.50 N ATOM 963 CA ASN A 65 3.473 -8.229 8.474 1.00 0.56 C ATOM 964 C ASN A 65 3.003 -6.795 8.745 1.00 0.52 C ATOM 965 O ASN A 65 3.265 -6.228 9.811 1.00 0.65 O ATOM 966 CB ASN A 65 5.012 -8.289 8.450 1.00 0.64 C ATOM 967 CG ASN A 65 5.670 -8.021 9.795 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.133 -8.355 10.856 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.817 -7.406 9.771 1.00 2.07 N ATOM 0 H ASN A 65 3.522 -8.411 6.399 1.00 0.50 H new ATOM 0 HA ASN A 65 3.099 -8.872 9.271 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.320 -9.273 8.098 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.381 -7.562 7.727 1.00 0.64 H new ATOM 0 HD21 ASN A 65 7.297 -7.187 10.644 1.00 2.07 H new ATOM 0 HD22 ASN A 65 7.236 -7.143 8.879 1.00 2.07 H new ATOM 976 N LEU A 66 2.306 -6.208 7.800 1.00 0.43 N ATOM 977 CA LEU A 66 1.848 -4.848 7.967 1.00 0.43 C ATOM 978 C LEU A 66 0.356 -4.821 8.218 1.00 0.43 C ATOM 979 O LEU A 66 -0.302 -5.869 8.202 1.00 0.47 O ATOM 980 CB LEU A 66 2.206 -4.002 6.746 1.00 0.44 C ATOM 981 CG LEU A 66 3.696 -3.917 6.410 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.913 -3.010 5.225 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.496 -3.432 7.605 1.00 0.60 C ATOM 0 H LEU A 66 2.046 -6.645 6.916 1.00 0.43 H new ATOM 0 HA LEU A 66 2.351 -4.420 8.834 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.680 -4.405 5.881 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.830 -2.991 6.905 1.00 0.44 H new ATOM 0 HG LEU A 66 4.046 -4.917 6.154 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.978 -2.958 4.996 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.375 -3.404 4.362 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.543 -2.012 5.458 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.552 -3.381 7.339 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.147 -2.442 7.899 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.364 -4.125 8.436 1.00 0.60 H new ATOM 995 N LYS A 67 -0.180 -3.642 8.475 1.00 0.45 N ATOM 996 CA LYS A 67 -1.594 -3.501 8.695 1.00 0.50 C ATOM 997 C LYS A 67 -2.182 -2.251 8.050 1.00 0.43 C ATOM 998 O LYS A 67 -3.044 -2.361 7.185 1.00 0.52 O ATOM 999 CB LYS A 67 -1.993 -3.704 10.177 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.222 -2.904 11.198 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.555 -3.387 12.600 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.791 -2.622 13.663 1.00 1.86 C ATOM 1003 NZ LYS A 67 -1.031 -3.169 15.016 1.00 2.69 N ATOM 0 H LYS A 67 0.349 -2.772 8.535 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.068 -4.326 8.163 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -3.051 -3.462 10.282 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.883 -4.761 10.418 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.152 -3.002 11.016 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.466 -1.846 11.102 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -2.625 -3.279 12.775 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.324 -4.449 12.682 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.275 -2.659 13.441 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -1.086 -1.573 13.638 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -0.491 -2.619 15.714 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -2.045 -3.111 15.239 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -0.726 -4.163 15.048 1.00 2.69 H new ATOM 1017 N THR A 68 -1.720 -1.080 8.409 1.00 0.37 N ATOM 1018 CA THR A 68 -2.273 0.125 7.818 1.00 0.35 C ATOM 1019 C THR A 68 -1.379 0.637 6.688 1.00 0.32 C ATOM 1020 O THR A 68 -0.318 0.058 6.405 1.00 0.33 O ATOM 1021 CB THR A 68 -2.456 1.249 8.869 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.178 1.610 9.417 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.378 0.800 9.994 1.00 0.46 C ATOM 0 H THR A 68 -0.978 -0.930 9.093 1.00 0.37 H new ATOM 0 HA THR A 68 -3.252 -0.141 7.418 1.00 0.35 H new ATOM 0 HB THR A 68 -2.906 2.110 8.374 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.812 0.853 9.920 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.489 1.608 10.718 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.355 0.544 9.584 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.951 -0.073 10.488 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.766 1.743 6.075 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.927 2.380 5.085 1.00 0.33 C ATOM 1033 C VAL A 69 0.156 3.191 5.784 1.00 0.34 C ATOM 1034 O VAL A 69 1.147 3.602 5.173 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.697 3.247 4.049 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.649 2.395 3.236 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.456 4.356 4.725 1.00 0.56 C ATOM 0 H VAL A 69 -2.654 2.214 6.248 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.478 1.580 4.497 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.959 3.690 3.380 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.177 3.023 2.518 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.087 1.628 2.703 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.370 1.920 3.901 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.984 4.945 3.975 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.175 3.931 5.425 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.759 4.997 5.265 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.033 3.384 7.090 1.00 0.36 N ATOM 1048 CA GLY A 70 0.964 3.997 7.920 1.00 0.38 C ATOM 1049 C GLY A 70 2.059 3.005 8.186 1.00 0.39 C ATOM 1050 O GLY A 70 3.197 3.369 8.439 1.00 0.46 O ATOM 0 H GLY A 70 -0.883 3.116 7.586 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.369 4.882 7.430 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.520 4.328 8.859 1.00 0.38 H new ATOM 1054 N ASP A 71 1.702 1.730 8.119 1.00 0.42 N ATOM 1055 CA ASP A 71 2.680 0.656 8.239 1.00 0.50 C ATOM 1056 C ASP A 71 3.378 0.458 6.920 1.00 0.49 C ATOM 1057 O ASP A 71 4.579 0.159 6.872 1.00 0.58 O ATOM 1058 CB ASP A 71 2.032 -0.660 8.664 1.00 0.62 C ATOM 1059 CG ASP A 71 1.459 -0.613 10.036 1.00 0.82 C ATOM 1060 OD1 ASP A 71 2.207 -0.761 11.000 1.00 1.00 O ATOM 1061 OD2 ASP A 71 0.238 -0.425 10.163 1.00 1.62 O ATOM 0 H ASP A 71 0.742 1.413 7.982 1.00 0.42 H new ATOM 0 HA ASP A 71 3.395 0.946 9.009 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.243 -0.915 7.956 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.775 -1.456 8.614 1.00 0.62 H new ATOM 1066 N ALA A 72 2.623 0.650 5.846 1.00 0.43 N ATOM 1067 CA ALA A 72 3.123 0.495 4.491 1.00 0.48 C ATOM 1068 C ALA A 72 4.215 1.509 4.221 1.00 0.44 C ATOM 1069 O ALA A 72 5.325 1.144 3.839 1.00 0.47 O ATOM 1070 CB ALA A 72 1.989 0.645 3.488 1.00 0.51 C ATOM 0 H ALA A 72 1.640 0.919 5.894 1.00 0.43 H new ATOM 0 HA ALA A 72 3.544 -0.504 4.382 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.379 0.526 2.477 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.233 -0.117 3.677 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.541 1.633 3.590 1.00 0.51 H new ATOM 1076 N THR A 73 3.901 2.770 4.468 1.00 0.40 N ATOM 1077 CA THR A 73 4.830 3.863 4.310 1.00 0.39 C ATOM 1078 C THR A 73 6.074 3.635 5.156 1.00 0.39 C ATOM 1079 O THR A 73 7.192 3.710 4.658 1.00 0.41 O ATOM 1080 CB THR A 73 4.151 5.169 4.720 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.381 4.956 5.904 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.265 5.682 3.618 1.00 0.46 C ATOM 0 H THR A 73 2.978 3.062 4.789 1.00 0.40 H new ATOM 0 HA THR A 73 5.133 3.922 3.265 1.00 0.39 H new ATOM 0 HB THR A 73 4.921 5.916 4.914 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.501 4.599 5.662 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.793 6.612 3.934 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.863 5.864 2.725 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.496 4.942 3.395 1.00 0.46 H new ATOM 1090 N LYS A 74 5.845 3.344 6.423 1.00 0.47 N ATOM 1091 CA LYS A 74 6.882 3.040 7.398 1.00 0.53 C ATOM 1092 C LYS A 74 7.875 1.989 6.868 1.00 0.48 C ATOM 1093 O LYS A 74 9.091 2.134 7.033 1.00 0.55 O ATOM 1094 CB LYS A 74 6.206 2.559 8.681 1.00 0.65 C ATOM 1095 CG LYS A 74 7.122 2.130 9.809 1.00 1.26 C ATOM 1096 CD LYS A 74 6.314 1.747 11.043 1.00 1.88 C ATOM 1097 CE LYS A 74 5.334 0.618 10.752 1.00 2.66 C ATOM 1098 NZ LYS A 74 4.495 0.300 11.916 1.00 3.54 N ATOM 0 H LYS A 74 4.904 3.311 6.816 1.00 0.47 H new ATOM 0 HA LYS A 74 7.464 3.940 7.597 1.00 0.53 H new ATOM 0 HB2 LYS A 74 5.564 3.359 9.049 1.00 0.65 H new ATOM 0 HB3 LYS A 74 5.557 1.720 8.431 1.00 0.65 H new ATOM 0 HG2 LYS A 74 7.729 1.283 9.489 1.00 1.26 H new ATOM 0 HG3 LYS A 74 7.809 2.940 10.055 1.00 1.26 H new ATOM 0 HD2 LYS A 74 6.992 1.443 11.841 1.00 1.88 H new ATOM 0 HD3 LYS A 74 5.767 2.618 11.404 1.00 1.88 H new ATOM 0 HE2 LYS A 74 4.698 0.898 9.913 1.00 2.66 H new ATOM 0 HE3 LYS A 74 5.886 -0.272 10.450 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 3.660 -0.237 11.606 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 5.042 -0.270 12.593 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 4.189 1.182 12.375 1.00 3.54 H new ATOM 1112 N TYR A 75 7.364 0.950 6.218 1.00 0.45 N ATOM 1113 CA TYR A 75 8.223 -0.078 5.649 1.00 0.44 C ATOM 1114 C TYR A 75 8.937 0.441 4.414 1.00 0.40 C ATOM 1115 O TYR A 75 10.148 0.317 4.285 1.00 0.48 O ATOM 1116 CB TYR A 75 7.438 -1.353 5.301 1.00 0.49 C ATOM 1117 CG TYR A 75 8.300 -2.388 4.613 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.163 -3.205 5.344 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.213 -2.584 3.247 1.00 0.52 C ATOM 1120 CE1 TYR A 75 9.911 -4.180 4.726 1.00 0.77 C ATOM 1121 CE2 TYR A 75 8.961 -3.552 2.623 1.00 0.61 C ATOM 1122 CZ TYR A 75 9.954 -4.212 3.346 1.00 0.69 C ATOM 1123 OH TYR A 75 10.553 -5.314 2.739 1.00 0.83 O ATOM 0 H TYR A 75 6.366 0.799 6.073 1.00 0.45 H new ATOM 0 HA TYR A 75 8.961 -0.334 6.409 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.020 -1.780 6.213 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.598 -1.095 4.655 1.00 0.49 H new ATOM 0 HD1 TYR A 75 9.245 -3.070 6.412 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.547 -1.967 2.662 1.00 0.52 H new ATOM 0 HE1 TYR A 75 10.455 -4.908 5.310 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.783 -3.799 1.587 1.00 0.61 H new ATOM 0 HH TYR A 75 10.684 -6.022 3.403 1.00 0.83 H new ATOM 1133 N ILE A 76 8.172 1.015 3.522 1.00 0.37 N ATOM 1134 CA ILE A 76 8.663 1.547 2.265 1.00 0.43 C ATOM 1135 C ILE A 76 9.803 2.529 2.465 1.00 0.52 C ATOM 1136 O ILE A 76 10.884 2.310 1.956 1.00 0.65 O ATOM 1137 CB ILE A 76 7.505 2.183 1.497 1.00 0.45 C ATOM 1138 CG1 ILE A 76 6.618 1.065 0.945 1.00 0.48 C ATOM 1139 CG2 ILE A 76 8.004 3.121 0.403 1.00 0.59 C ATOM 1140 CD1 ILE A 76 5.373 1.549 0.286 1.00 0.55 C ATOM 0 H ILE A 76 7.166 1.131 3.647 1.00 0.37 H new ATOM 0 HA ILE A 76 9.071 0.724 1.679 1.00 0.43 H new ATOM 0 HB ILE A 76 6.914 2.805 2.170 1.00 0.45 H new ATOM 0 HG12 ILE A 76 7.193 0.480 0.227 1.00 0.48 H new ATOM 0 HG13 ILE A 76 6.348 0.393 1.760 1.00 0.48 H new ATOM 0 HG21 ILE A 76 7.152 3.554 -0.121 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.598 3.918 0.850 1.00 0.59 H new ATOM 0 HG23 ILE A 76 8.619 2.562 -0.303 1.00 0.59 H new ATOM 0 HD11 ILE A 76 4.799 0.697 -0.078 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.775 2.109 1.005 1.00 0.55 H new ATOM 0 HD13 ILE A 76 5.633 2.196 -0.552 1.00 0.55 H new ATOM 1152 N LEU A 77 9.552 3.574 3.226 1.00 0.52 N ATOM 1153 CA LEU A 77 10.541 4.610 3.534 1.00 0.71 C ATOM 1154 C LEU A 77 11.780 4.041 4.225 1.00 0.78 C ATOM 1155 O LEU A 77 12.842 4.664 4.234 1.00 0.96 O ATOM 1156 CB LEU A 77 9.922 5.732 4.372 1.00 0.86 C ATOM 1157 CG LEU A 77 9.112 6.820 3.636 1.00 0.88 C ATOM 1158 CD1 LEU A 77 7.908 6.245 2.910 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.674 7.888 4.619 1.00 0.99 C ATOM 0 H LEU A 77 8.643 3.739 3.659 1.00 0.52 H new ATOM 0 HA LEU A 77 10.865 5.028 2.581 1.00 0.71 H new ATOM 0 HB2 LEU A 77 9.269 5.273 5.114 1.00 0.86 H new ATOM 0 HB3 LEU A 77 10.727 6.225 4.917 1.00 0.86 H new ATOM 0 HG LEU A 77 9.762 7.262 2.881 1.00 0.88 H new ATOM 0 HD11 LEU A 77 7.369 7.048 2.407 1.00 1.74 H new ATOM 0 HD12 LEU A 77 8.242 5.515 2.173 1.00 1.74 H new ATOM 0 HD13 LEU A 77 7.248 5.759 3.628 1.00 1.74 H new ATOM 0 HD21 LEU A 77 8.103 8.653 4.094 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.052 7.438 5.392 1.00 0.99 H new ATOM 0 HD23 LEU A 77 9.552 8.342 5.078 1.00 0.99 H new ATOM 1171 N ASP A 78 11.628 2.886 4.831 1.00 0.71 N ATOM 1172 CA ASP A 78 12.757 2.215 5.485 1.00 0.84 C ATOM 1173 C ASP A 78 13.580 1.463 4.458 1.00 0.94 C ATOM 1174 O ASP A 78 14.816 1.548 4.428 1.00 1.09 O ATOM 1175 CB ASP A 78 12.275 1.226 6.560 1.00 0.91 C ATOM 1176 CG ASP A 78 13.413 0.406 7.153 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.123 0.902 8.062 1.00 1.32 O ATOM 1178 OD2 ASP A 78 13.614 -0.750 6.717 1.00 1.26 O ATOM 0 H ASP A 78 10.743 2.383 4.892 1.00 0.71 H new ATOM 0 HA ASP A 78 13.365 2.983 5.963 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.775 1.776 7.357 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.536 0.554 6.125 1.00 0.91 H new