USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 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 75 TYR OH : rot -71:sc= 0.09 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.0775 X(o=0.17,f=0) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.0442 USER MOD Set 2.2: A 43 MET CE :methyl -150:sc= -7.32! (180deg=-10.4!) USER MOD Single : A 3 THR OG1 : rot 48:sc= 1.78 USER MOD Single : A 4 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= 0.276 X(o=0.28,f=-0.00036) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.599) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 83:sc= 1.21 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -1.39 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= 0.427 (180deg=-0.401) USER MOD Single : A 65 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.59) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.16) USER MOD Single : A 68 THR OG1 : rot -85:sc= 2.23 USER MOD Single : A 73 THR OG1 : rot 88:sc= 0.971 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.32 F(o=-3.3!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.289 -7.263 -0.976 1.00 0.54 N ATOM 24 CA THR A 3 -11.933 -8.281 -0.040 1.00 0.48 C ATOM 25 C THR A 3 -10.542 -7.900 0.520 1.00 0.39 C ATOM 26 O THR A 3 -9.660 -7.579 -0.245 1.00 0.37 O ATOM 27 CB THR A 3 -11.885 -9.609 -0.812 1.00 0.54 C ATOM 28 OG1 THR A 3 -12.747 -9.493 -1.976 1.00 1.05 O ATOM 29 CG2 THR A 3 -12.446 -10.717 0.047 1.00 0.94 C ATOM 0 HA THR A 3 -12.639 -8.379 0.785 1.00 0.48 H new ATOM 0 HB THR A 3 -10.854 -9.827 -1.092 1.00 0.54 H new ATOM 0 HG1 THR A 3 -12.551 -8.656 -2.446 1.00 1.05 H new ATOM 0 HG21 THR A 3 -12.411 -11.657 -0.503 1.00 0.94 H new ATOM 0 HG22 THR A 3 -11.854 -10.807 0.958 1.00 0.94 H new ATOM 0 HG23 THR A 3 -13.479 -10.488 0.308 1.00 0.94 H new ATOM 37 N GLN A 4 -10.388 -7.872 1.835 1.00 0.39 N ATOM 38 CA GLN A 4 -9.159 -7.356 2.491 1.00 0.34 C ATOM 39 C GLN A 4 -7.819 -7.914 1.955 1.00 0.27 C ATOM 40 O GLN A 4 -6.858 -7.176 1.787 1.00 0.25 O ATOM 41 CB GLN A 4 -9.227 -7.530 3.979 1.00 0.47 C ATOM 42 CG GLN A 4 -10.273 -6.670 4.629 1.00 0.63 C ATOM 43 CD GLN A 4 -10.226 -6.789 6.138 1.00 0.81 C ATOM 44 OE1 GLN A 4 -10.903 -7.627 6.733 1.00 1.25 O ATOM 45 NE2 GLN A 4 -9.400 -5.988 6.765 1.00 1.20 N ATOM 0 H GLN A 4 -11.098 -8.201 2.490 1.00 0.39 H new ATOM 0 HA GLN A 4 -9.151 -6.298 2.229 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -9.433 -8.576 4.207 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -8.254 -7.296 4.410 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -10.122 -5.630 4.340 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -11.260 -6.961 4.270 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -8.854 -5.305 6.239 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -9.303 -6.047 7.779 1.00 1.20 H new ATOM 54 N GLU A 5 -7.777 -9.175 1.650 1.00 0.33 N ATOM 55 CA GLU A 5 -6.550 -9.814 1.160 1.00 0.37 C ATOM 56 C GLU A 5 -6.359 -9.494 -0.305 1.00 0.30 C ATOM 57 O GLU A 5 -5.259 -9.497 -0.815 1.00 0.32 O ATOM 58 CB GLU A 5 -6.615 -11.310 1.359 1.00 0.56 C ATOM 59 CG GLU A 5 -6.759 -11.727 2.804 1.00 0.85 C ATOM 60 CD GLU A 5 -6.973 -13.196 2.929 1.00 1.42 C ATOM 61 OE1 GLU A 5 -8.125 -13.644 2.845 1.00 1.67 O ATOM 62 OE2 GLU A 5 -5.998 -13.945 3.091 1.00 2.30 O ATOM 0 H GLU A 5 -8.576 -9.804 1.726 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.703 -9.428 1.727 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.456 -11.707 0.791 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -5.712 -11.761 0.949 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -5.865 -11.440 3.358 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -7.597 -11.196 3.255 1.00 0.85 H new ATOM 69 N GLU A 6 -7.450 -9.200 -0.949 1.00 0.31 N ATOM 70 CA GLU A 6 -7.494 -8.782 -2.334 1.00 0.34 C ATOM 71 C GLU A 6 -7.001 -7.330 -2.401 1.00 0.25 C ATOM 72 O GLU A 6 -6.396 -6.900 -3.376 1.00 0.27 O ATOM 73 CB GLU A 6 -8.940 -8.926 -2.778 1.00 0.47 C ATOM 74 CG GLU A 6 -9.323 -8.437 -4.140 1.00 0.57 C ATOM 75 CD GLU A 6 -10.796 -8.657 -4.325 1.00 1.19 C ATOM 76 OE1 GLU A 6 -11.604 -7.886 -3.759 1.00 1.92 O ATOM 77 OE2 GLU A 6 -11.181 -9.667 -4.932 1.00 1.75 O ATOM 0 H GLU A 6 -8.372 -9.244 -0.515 1.00 0.31 H new ATOM 0 HA GLU A 6 -6.859 -9.377 -2.991 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.200 -9.983 -2.720 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.563 -8.404 -2.052 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -9.081 -7.379 -4.245 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.761 -8.970 -4.906 1.00 0.57 H new ATOM 84 N ILE A 7 -7.259 -6.603 -1.324 1.00 0.21 N ATOM 85 CA ILE A 7 -6.742 -5.263 -1.127 1.00 0.19 C ATOM 86 C ILE A 7 -5.218 -5.377 -1.022 1.00 0.18 C ATOM 87 O ILE A 7 -4.486 -4.781 -1.801 1.00 0.21 O ATOM 88 CB ILE A 7 -7.310 -4.658 0.192 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.843 -4.647 0.159 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.767 -3.262 0.447 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.498 -3.998 1.366 1.00 0.29 C ATOM 0 H ILE A 7 -7.841 -6.934 -0.554 1.00 0.21 H new ATOM 0 HA ILE A 7 -7.033 -4.615 -1.954 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.983 -5.291 1.017 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.170 -4.124 -0.740 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.199 -5.674 0.078 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.185 -2.873 1.375 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.681 -3.303 0.528 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -7.045 -2.607 -0.379 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.582 -4.036 1.256 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.206 -4.533 2.270 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.177 -2.959 1.439 1.00 0.29 H new ATOM 103 N VAL A 8 -4.763 -6.174 -0.064 1.00 0.18 N ATOM 104 CA VAL A 8 -3.340 -6.441 0.132 1.00 0.20 C ATOM 105 C VAL A 8 -2.691 -6.969 -1.170 1.00 0.23 C ATOM 106 O VAL A 8 -1.576 -6.604 -1.499 1.00 0.26 O ATOM 107 CB VAL A 8 -3.122 -7.445 1.300 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.648 -7.796 1.467 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.657 -6.849 2.585 1.00 0.23 C ATOM 0 H VAL A 8 -5.369 -6.655 0.601 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.855 -5.501 0.395 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.660 -8.363 1.065 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.533 -8.499 2.292 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.276 -8.250 0.548 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.080 -6.890 1.680 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.504 -7.552 3.404 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -3.130 -5.920 2.802 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.722 -6.645 2.476 1.00 0.23 H new ATOM 119 N ALA A 9 -3.417 -7.804 -1.904 1.00 0.24 N ATOM 120 CA ALA A 9 -2.951 -8.336 -3.183 1.00 0.28 C ATOM 121 C ALA A 9 -2.745 -7.219 -4.205 1.00 0.26 C ATOM 122 O ALA A 9 -1.749 -7.216 -4.927 1.00 0.29 O ATOM 123 CB ALA A 9 -3.917 -9.381 -3.725 1.00 0.32 C ATOM 0 H ALA A 9 -4.344 -8.132 -1.632 1.00 0.24 H new ATOM 0 HA ALA A 9 -1.989 -8.817 -3.007 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.546 -9.760 -4.677 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -4.000 -10.203 -3.014 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.898 -8.928 -3.872 1.00 0.32 H new ATOM 129 N GLY A 10 -3.677 -6.259 -4.236 1.00 0.24 N ATOM 130 CA GLY A 10 -3.553 -5.120 -5.128 1.00 0.25 C ATOM 131 C GLY A 10 -2.357 -4.310 -4.751 1.00 0.25 C ATOM 132 O GLY A 10 -1.626 -3.839 -5.597 1.00 0.31 O ATOM 0 H GLY A 10 -4.516 -6.255 -3.655 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.462 -5.462 -6.159 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.451 -4.505 -5.075 1.00 0.25 H new ATOM 136 N LEU A 11 -2.155 -4.168 -3.461 1.00 0.21 N ATOM 137 CA LEU A 11 -0.994 -3.490 -2.940 1.00 0.22 C ATOM 138 C LEU A 11 0.266 -4.217 -3.385 1.00 0.23 C ATOM 139 O LEU A 11 1.163 -3.615 -3.955 1.00 0.26 O ATOM 140 CB LEU A 11 -1.040 -3.430 -1.411 1.00 0.22 C ATOM 141 CG LEU A 11 -2.117 -2.549 -0.782 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.133 -2.739 0.726 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.862 -1.086 -1.118 1.00 0.29 C ATOM 0 H LEU A 11 -2.791 -4.519 -2.745 1.00 0.21 H new ATOM 0 HA LEU A 11 -0.986 -2.471 -3.327 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.172 -4.445 -1.036 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.069 -3.083 -1.057 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.087 -2.840 -1.186 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.905 -2.106 1.164 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.344 -3.783 0.959 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.162 -2.465 1.138 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.637 -0.468 -0.664 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.887 -0.788 -0.731 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.879 -0.953 -2.200 1.00 0.29 H new ATOM 155 N ALA A 12 0.282 -5.519 -3.158 1.00 0.21 N ATOM 156 CA ALA A 12 1.401 -6.394 -3.475 1.00 0.22 C ATOM 157 C ALA A 12 1.814 -6.299 -4.934 1.00 0.23 C ATOM 158 O ALA A 12 3.006 -6.200 -5.237 1.00 0.24 O ATOM 159 CB ALA A 12 1.052 -7.827 -3.127 1.00 0.24 C ATOM 0 H ALA A 12 -0.505 -6.012 -2.736 1.00 0.21 H new ATOM 0 HA ALA A 12 2.250 -6.065 -2.876 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.895 -8.475 -3.367 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.831 -7.899 -2.062 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.179 -8.139 -3.701 1.00 0.24 H new ATOM 165 N GLU A 13 0.839 -6.305 -5.831 1.00 0.24 N ATOM 166 CA GLU A 13 1.133 -6.228 -7.259 1.00 0.28 C ATOM 167 C GLU A 13 1.765 -4.899 -7.647 1.00 0.25 C ATOM 168 O GLU A 13 2.682 -4.853 -8.482 1.00 0.33 O ATOM 169 CB GLU A 13 -0.069 -6.611 -8.141 1.00 0.44 C ATOM 170 CG GLU A 13 -1.317 -5.784 -7.937 1.00 0.53 C ATOM 171 CD GLU A 13 -2.448 -6.228 -8.820 1.00 1.02 C ATOM 172 OE1 GLU A 13 -3.200 -7.127 -8.421 1.00 1.46 O ATOM 173 OE2 GLU A 13 -2.622 -5.676 -9.924 1.00 1.23 O ATOM 0 H GLU A 13 -0.153 -6.362 -5.602 1.00 0.24 H new ATOM 0 HA GLU A 13 1.888 -6.989 -7.459 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.230 -6.533 -9.186 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.314 -7.657 -7.957 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.627 -5.849 -6.894 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -1.092 -4.736 -8.138 1.00 0.53 H new ATOM 180 N ILE A 14 1.323 -3.856 -6.997 1.00 0.23 N ATOM 181 CA ILE A 14 1.864 -2.524 -7.172 1.00 0.25 C ATOM 182 C ILE A 14 3.281 -2.475 -6.609 1.00 0.22 C ATOM 183 O ILE A 14 4.211 -1.991 -7.259 1.00 0.22 O ATOM 184 CB ILE A 14 0.963 -1.519 -6.435 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.393 -1.464 -7.111 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.593 -0.136 -6.376 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.418 -0.733 -6.316 1.00 0.41 C ATOM 0 H ILE A 14 0.564 -3.903 -6.318 1.00 0.23 H new ATOM 0 HA ILE A 14 1.897 -2.268 -8.231 1.00 0.25 H new ATOM 0 HB ILE A 14 0.840 -1.858 -5.406 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.287 -0.984 -8.084 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.742 -2.480 -7.294 1.00 0.33 H new ATOM 0 HG21 ILE A 14 0.926 0.545 -5.848 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.546 -0.192 -5.849 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.759 0.232 -7.389 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.364 -0.731 -6.857 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.551 -1.226 -5.353 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.090 0.294 -6.155 1.00 0.41 H new ATOM 199 N VAL A 15 3.432 -2.974 -5.400 1.00 0.21 N ATOM 200 CA VAL A 15 4.717 -3.032 -4.725 1.00 0.19 C ATOM 201 C VAL A 15 5.723 -3.802 -5.566 1.00 0.18 C ATOM 202 O VAL A 15 6.819 -3.348 -5.770 1.00 0.22 O ATOM 203 CB VAL A 15 4.593 -3.684 -3.324 1.00 0.22 C ATOM 204 CG1 VAL A 15 5.948 -3.839 -2.652 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.696 -2.859 -2.450 1.00 0.29 C ATOM 0 H VAL A 15 2.661 -3.355 -4.851 1.00 0.21 H new ATOM 0 HA VAL A 15 5.067 -2.008 -4.593 1.00 0.19 H new ATOM 0 HB VAL A 15 4.166 -4.677 -3.462 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.818 -4.300 -1.673 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.589 -4.470 -3.267 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.410 -2.859 -2.533 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.615 -3.325 -1.468 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.113 -1.858 -2.343 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.707 -2.793 -2.903 1.00 0.29 H new ATOM 215 N ASN A 16 5.340 -4.939 -6.061 1.00 0.17 N ATOM 216 CA ASN A 16 6.241 -5.756 -6.865 1.00 0.19 C ATOM 217 C ASN A 16 6.659 -5.037 -8.141 1.00 0.22 C ATOM 218 O ASN A 16 7.778 -5.182 -8.606 1.00 0.27 O ATOM 219 CB ASN A 16 5.605 -7.081 -7.207 1.00 0.23 C ATOM 220 CG ASN A 16 6.606 -8.041 -7.819 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.747 -8.115 -9.033 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.329 -8.737 -6.982 1.00 0.29 N ATOM 0 H ASN A 16 4.410 -5.336 -5.930 1.00 0.17 H new ATOM 0 HA ASN A 16 7.134 -5.936 -6.266 1.00 0.19 H new ATOM 0 HB2 ASN A 16 5.179 -7.524 -6.306 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.782 -6.921 -7.903 1.00 0.23 H new ATOM 0 HD21 ASN A 16 8.045 -9.373 -7.333 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.178 -8.644 -5.978 1.00 0.29 H new ATOM 229 N GLU A 17 5.767 -4.236 -8.655 1.00 0.23 N ATOM 230 CA GLU A 17 5.987 -3.485 -9.863 1.00 0.29 C ATOM 231 C GLU A 17 6.901 -2.263 -9.599 1.00 0.30 C ATOM 232 O GLU A 17 7.930 -2.086 -10.256 1.00 0.44 O ATOM 233 CB GLU A 17 4.614 -3.063 -10.401 1.00 0.38 C ATOM 234 CG GLU A 17 4.609 -2.262 -11.681 1.00 0.63 C ATOM 235 CD GLU A 17 3.204 -2.041 -12.187 1.00 1.21 C ATOM 236 OE1 GLU A 17 2.529 -1.086 -11.739 1.00 2.00 O ATOM 237 OE2 GLU A 17 2.735 -2.845 -13.037 1.00 1.48 O ATOM 0 H GLU A 17 4.848 -4.083 -8.239 1.00 0.23 H new ATOM 0 HA GLU A 17 6.502 -4.095 -10.605 1.00 0.29 H new ATOM 0 HB2 GLU A 17 4.018 -3.962 -10.559 1.00 0.38 H new ATOM 0 HB3 GLU A 17 4.111 -2.478 -9.631 1.00 0.38 H new ATOM 0 HG2 GLU A 17 5.092 -1.300 -11.512 1.00 0.63 H new ATOM 0 HG3 GLU A 17 5.193 -2.782 -12.440 1.00 0.63 H new ATOM 244 N ILE A 18 6.552 -1.483 -8.605 1.00 0.23 N ATOM 245 CA ILE A 18 7.253 -0.229 -8.315 1.00 0.25 C ATOM 246 C ILE A 18 8.443 -0.436 -7.354 1.00 0.25 C ATOM 247 O ILE A 18 9.570 -0.040 -7.643 1.00 0.28 O ATOM 248 CB ILE A 18 6.256 0.772 -7.685 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.101 1.032 -8.646 1.00 0.27 C ATOM 250 CG2 ILE A 18 6.959 2.073 -7.382 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.959 1.816 -8.063 1.00 0.28 C ATOM 0 H ILE A 18 5.780 -1.687 -7.970 1.00 0.23 H new ATOM 0 HA ILE A 18 7.650 0.158 -9.254 1.00 0.25 H new ATOM 0 HB ILE A 18 5.866 0.346 -6.760 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.484 1.567 -9.515 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.721 0.075 -9.003 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.252 2.774 -6.939 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.776 1.891 -6.684 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.358 2.495 -8.305 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.186 1.951 -8.820 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.543 1.276 -7.212 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.318 2.791 -7.733 1.00 0.28 H new ATOM 263 N ALA A 19 8.177 -1.050 -6.223 1.00 0.23 N ATOM 264 CA ALA A 19 9.190 -1.278 -5.199 1.00 0.26 C ATOM 265 C ALA A 19 10.107 -2.420 -5.607 1.00 0.26 C ATOM 266 O ALA A 19 11.305 -2.392 -5.342 1.00 0.34 O ATOM 267 CB ALA A 19 8.520 -1.621 -3.884 1.00 0.28 C ATOM 0 H ALA A 19 7.253 -1.408 -5.980 1.00 0.23 H new ATOM 0 HA ALA A 19 9.781 -0.369 -5.085 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.280 -1.791 -3.122 1.00 0.28 H new ATOM 0 HB2 ALA A 19 7.876 -0.796 -3.578 1.00 0.28 H new ATOM 0 HB3 ALA A 19 7.921 -2.523 -4.006 1.00 0.28 H new ATOM 273 N GLY A 20 9.518 -3.418 -6.254 1.00 0.23 N ATOM 274 CA GLY A 20 10.245 -4.591 -6.683 1.00 0.26 C ATOM 275 C GLY A 20 10.320 -5.613 -5.578 1.00 0.29 C ATOM 276 O GLY A 20 11.290 -6.348 -5.467 1.00 0.46 O ATOM 0 H GLY A 20 8.526 -3.431 -6.492 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.757 -5.027 -7.554 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.252 -4.307 -6.990 1.00 0.26 H new ATOM 280 N ILE A 21 9.288 -5.661 -4.760 1.00 0.27 N ATOM 281 CA ILE A 21 9.272 -6.541 -3.608 1.00 0.30 C ATOM 282 C ILE A 21 8.253 -7.668 -3.801 1.00 0.28 C ATOM 283 O ILE A 21 7.146 -7.419 -4.292 1.00 0.28 O ATOM 284 CB ILE A 21 8.940 -5.741 -2.301 1.00 0.32 C ATOM 285 CG1 ILE A 21 9.973 -4.619 -2.065 1.00 0.37 C ATOM 286 CG2 ILE A 21 8.849 -6.653 -1.076 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.406 -5.107 -1.953 1.00 0.42 C ATOM 0 H ILE A 21 8.445 -5.098 -4.872 1.00 0.27 H new ATOM 0 HA ILE A 21 10.265 -6.978 -3.508 1.00 0.30 H new ATOM 0 HB ILE A 21 7.959 -5.288 -2.444 1.00 0.32 H new ATOM 0 HG12 ILE A 21 9.908 -3.902 -2.884 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.710 -4.085 -1.152 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.617 -6.056 -0.194 1.00 0.36 H new ATOM 0 HG22 ILE A 21 8.063 -7.392 -1.230 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.802 -7.162 -0.930 1.00 0.36 H new ATOM 0 HD11 ILE A 21 12.068 -4.257 -1.788 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.490 -5.800 -1.116 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.690 -5.615 -2.875 1.00 0.42 H new ATOM 299 N PRO A 22 8.672 -8.928 -3.510 1.00 0.31 N ATOM 300 CA PRO A 22 7.840 -10.130 -3.495 1.00 0.34 C ATOM 301 C PRO A 22 6.398 -9.907 -3.100 1.00 0.30 C ATOM 302 O PRO A 22 6.093 -9.414 -2.002 1.00 0.28 O ATOM 303 CB PRO A 22 8.554 -11.024 -2.468 1.00 0.39 C ATOM 304 CG PRO A 22 9.873 -10.363 -2.186 1.00 0.41 C ATOM 305 CD PRO A 22 10.045 -9.308 -3.227 1.00 0.36 C ATOM 0 HA PRO A 22 7.753 -10.553 -4.496 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.963 -11.119 -1.557 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.699 -12.030 -2.861 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.884 -9.928 -1.187 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.687 -11.087 -2.228 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.633 -8.466 -2.860 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.553 -9.689 -4.113 1.00 0.36 H new ATOM 313 N VAL A 23 5.525 -10.323 -4.000 1.00 0.31 N ATOM 314 CA VAL A 23 4.086 -10.203 -3.863 1.00 0.29 C ATOM 315 C VAL A 23 3.626 -10.894 -2.590 1.00 0.29 C ATOM 316 O VAL A 23 2.722 -10.426 -1.907 1.00 0.42 O ATOM 317 CB VAL A 23 3.362 -10.846 -5.096 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.845 -10.767 -4.977 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.816 -10.190 -6.389 1.00 0.41 C ATOM 0 H VAL A 23 5.808 -10.767 -4.873 1.00 0.31 H new ATOM 0 HA VAL A 23 3.832 -9.144 -3.815 1.00 0.29 H new ATOM 0 HB VAL A 23 3.639 -11.900 -5.112 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.387 -11.225 -5.854 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.522 -11.297 -4.081 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.539 -9.723 -4.911 1.00 0.69 H new ATOM 0 HG21 VAL A 23 3.301 -10.652 -7.232 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.581 -9.126 -6.359 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.892 -10.321 -6.505 1.00 0.41 H new ATOM 329 N GLU A 24 4.281 -11.974 -2.241 1.00 0.31 N ATOM 330 CA GLU A 24 3.879 -12.719 -1.097 1.00 0.36 C ATOM 331 C GLU A 24 4.699 -12.410 0.149 1.00 0.35 C ATOM 332 O GLU A 24 4.483 -13.001 1.226 1.00 0.48 O ATOM 333 CB GLU A 24 3.752 -14.198 -1.393 1.00 0.55 C ATOM 334 CG GLU A 24 2.667 -14.488 -2.410 1.00 1.41 C ATOM 335 CD GLU A 24 2.614 -15.923 -2.810 1.00 1.82 C ATOM 336 OE1 GLU A 24 1.903 -16.703 -2.145 1.00 2.34 O ATOM 337 OE2 GLU A 24 3.284 -16.313 -3.788 1.00 2.01 O ATOM 0 H GLU A 24 5.090 -12.347 -2.737 1.00 0.31 H new ATOM 0 HA GLU A 24 2.874 -12.377 -0.850 1.00 0.36 H new ATOM 0 HB2 GLU A 24 4.705 -14.576 -1.764 1.00 0.55 H new ATOM 0 HB3 GLU A 24 3.534 -14.734 -0.469 1.00 0.55 H new ATOM 0 HG2 GLU A 24 1.702 -14.196 -1.997 1.00 1.41 H new ATOM 0 HG3 GLU A 24 2.834 -13.875 -3.296 1.00 1.41 H new ATOM 344 N ASP A 25 5.623 -11.478 0.028 1.00 0.30 N ATOM 345 CA ASP A 25 6.343 -10.997 1.200 1.00 0.32 C ATOM 346 C ASP A 25 5.499 -9.899 1.785 1.00 0.29 C ATOM 347 O ASP A 25 5.520 -9.637 2.971 1.00 0.32 O ATOM 348 CB ASP A 25 7.741 -10.481 0.850 1.00 0.38 C ATOM 349 CG ASP A 25 8.587 -10.172 2.074 1.00 0.46 C ATOM 350 OD1 ASP A 25 9.002 -11.104 2.792 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.818 -8.969 2.355 1.00 0.53 O ATOM 0 H ASP A 25 5.893 -11.041 -0.853 1.00 0.30 H new ATOM 0 HA ASP A 25 6.500 -11.810 1.909 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.254 -11.224 0.240 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.648 -9.580 0.243 1.00 0.38 H new ATOM 356 N VAL A 26 4.702 -9.303 0.906 1.00 0.27 N ATOM 357 CA VAL A 26 3.696 -8.314 1.231 1.00 0.27 C ATOM 358 C VAL A 26 2.516 -9.015 1.944 1.00 0.29 C ATOM 359 O VAL A 26 1.534 -9.448 1.336 1.00 0.37 O ATOM 360 CB VAL A 26 3.242 -7.574 -0.078 1.00 0.29 C ATOM 361 CG1 VAL A 26 2.019 -6.706 0.142 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.378 -6.698 -0.583 1.00 0.38 C ATOM 0 H VAL A 26 4.745 -9.508 -0.092 1.00 0.27 H new ATOM 0 HA VAL A 26 4.100 -7.561 1.907 1.00 0.27 H new ATOM 0 HB VAL A 26 2.983 -8.340 -0.809 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.747 -6.217 -0.793 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.189 -7.326 0.482 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.240 -5.950 0.896 1.00 0.40 H new ATOM 0 HG21 VAL A 26 4.065 -6.184 -1.491 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.637 -5.963 0.179 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.248 -7.319 -0.799 1.00 0.38 H new ATOM 372 N LYS A 27 2.741 -9.277 3.205 1.00 0.33 N ATOM 373 CA LYS A 27 1.776 -9.904 4.091 1.00 0.38 C ATOM 374 C LYS A 27 0.986 -8.798 4.770 1.00 0.43 C ATOM 375 O LYS A 27 0.541 -7.899 4.098 1.00 0.98 O ATOM 376 CB LYS A 27 2.551 -10.754 5.100 1.00 0.57 C ATOM 377 CG LYS A 27 3.499 -11.731 4.426 1.00 0.47 C ATOM 378 CD LYS A 27 4.266 -12.564 5.424 1.00 0.96 C ATOM 379 CE LYS A 27 5.314 -13.427 4.734 1.00 1.16 C ATOM 380 NZ LYS A 27 4.728 -14.319 3.704 1.00 1.67 N ATOM 0 H LYS A 27 3.625 -9.056 3.664 1.00 0.33 H new ATOM 0 HA LYS A 27 1.079 -10.551 3.559 1.00 0.38 H new ATOM 0 HB2 LYS A 27 3.118 -10.100 5.762 1.00 0.57 H new ATOM 0 HB3 LYS A 27 1.847 -11.306 5.723 1.00 0.57 H new ATOM 0 HG2 LYS A 27 2.932 -12.388 3.767 1.00 0.47 H new ATOM 0 HG3 LYS A 27 4.201 -11.180 3.800 1.00 0.47 H new ATOM 0 HD2 LYS A 27 4.750 -11.911 6.150 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.575 -13.200 5.978 1.00 0.96 H new ATOM 0 HE2 LYS A 27 6.061 -12.783 4.270 1.00 1.16 H new ATOM 0 HE3 LYS A 27 5.832 -14.030 5.480 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 5.318 -15.170 3.606 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 3.767 -14.595 3.990 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 4.688 -13.818 2.793 1.00 1.67 H new ATOM 394 N LEU A 28 0.754 -8.885 6.065 1.00 0.37 N ATOM 395 CA LEU A 28 0.098 -7.772 6.770 1.00 0.37 C ATOM 396 C LEU A 28 1.032 -7.130 7.784 1.00 0.41 C ATOM 397 O LEU A 28 0.839 -5.995 8.207 1.00 0.55 O ATOM 398 CB LEU A 28 -1.147 -8.214 7.487 1.00 0.51 C ATOM 399 CG LEU A 28 -2.426 -7.574 7.020 1.00 0.47 C ATOM 400 CD1 LEU A 28 -2.988 -8.262 5.794 1.00 1.08 C ATOM 401 CD2 LEU A 28 -3.410 -7.503 8.148 1.00 0.99 C ATOM 0 H LEU A 28 0.997 -9.686 6.648 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.170 -7.046 6.002 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.242 -9.295 7.381 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.025 -8.008 8.550 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.208 -6.552 6.709 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -3.911 -7.768 5.491 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -2.263 -8.207 4.982 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -3.195 -9.307 6.026 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -4.332 -7.038 7.798 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -3.625 -8.509 8.507 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -2.990 -6.910 8.960 1.00 0.99 H new ATOM 413 N ASP A 29 2.088 -7.825 8.065 1.00 0.41 N ATOM 414 CA ASP A 29 3.077 -7.505 9.115 1.00 0.51 C ATOM 415 C ASP A 29 4.148 -6.609 8.541 1.00 0.45 C ATOM 416 O ASP A 29 5.085 -6.187 9.199 1.00 0.63 O ATOM 417 CB ASP A 29 3.683 -8.847 9.538 1.00 0.66 C ATOM 418 CG ASP A 29 4.884 -8.791 10.456 1.00 1.43 C ATOM 419 OD1 ASP A 29 4.698 -8.523 11.664 1.00 1.81 O ATOM 420 OD2 ASP A 29 6.022 -8.935 9.987 1.00 2.11 O ATOM 0 H ASP A 29 2.320 -8.679 7.558 1.00 0.41 H new ATOM 0 HA ASP A 29 2.625 -6.987 9.961 1.00 0.51 H new ATOM 0 HB2 ASP A 29 2.906 -9.431 10.030 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.968 -9.391 8.637 1.00 0.66 H new ATOM 425 N LYS A 30 3.954 -6.282 7.324 1.00 0.31 N ATOM 426 CA LYS A 30 4.951 -5.605 6.571 1.00 0.30 C ATOM 427 C LYS A 30 4.753 -4.114 6.491 1.00 0.28 C ATOM 428 O LYS A 30 3.765 -3.632 5.932 1.00 0.35 O ATOM 429 CB LYS A 30 4.996 -6.186 5.188 1.00 0.33 C ATOM 430 CG LYS A 30 5.408 -7.639 5.157 1.00 0.37 C ATOM 431 CD LYS A 30 6.834 -7.833 5.642 1.00 0.38 C ATOM 432 CE LYS A 30 7.233 -9.297 5.620 1.00 0.48 C ATOM 433 NZ LYS A 30 8.609 -9.515 6.121 1.00 1.02 N ATOM 0 H LYS A 30 3.094 -6.475 6.811 1.00 0.31 H new ATOM 0 HA LYS A 30 5.896 -5.754 7.094 1.00 0.30 H new ATOM 0 HB2 LYS A 30 4.013 -6.086 4.728 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.692 -5.606 4.582 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.730 -8.222 5.780 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.315 -8.021 4.140 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.515 -7.259 5.013 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.931 -7.443 6.655 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.533 -9.871 6.228 1.00 0.48 H new ATOM 0 HE3 LYS A 30 7.156 -9.676 4.601 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 8.834 -10.530 6.086 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 9.282 -8.990 5.527 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 8.678 -9.178 7.103 1.00 1.02 H new ATOM 447 N SER A 31 5.673 -3.393 7.051 1.00 0.26 N ATOM 448 CA SER A 31 5.719 -2.002 6.885 1.00 0.28 C ATOM 449 C SER A 31 6.518 -1.779 5.612 1.00 0.43 C ATOM 450 O SER A 31 7.670 -2.187 5.554 1.00 1.05 O ATOM 451 CB SER A 31 6.463 -1.389 8.061 1.00 0.28 C ATOM 452 OG SER A 31 6.022 -1.936 9.306 1.00 1.16 O ATOM 0 H SER A 31 6.415 -3.772 7.640 1.00 0.26 H new ATOM 0 HA SER A 31 4.726 -1.555 6.830 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.533 -1.562 7.946 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.313 -0.309 8.064 1.00 0.28 H new ATOM 0 HG SER A 31 6.491 -2.780 9.477 1.00 1.16 H new ATOM 458 N PHE A 32 5.869 -1.271 4.585 1.00 0.26 N ATOM 459 CA PHE A 32 6.494 -0.944 3.286 1.00 0.25 C ATOM 460 C PHE A 32 7.965 -0.510 3.373 1.00 0.26 C ATOM 461 O PHE A 32 8.876 -1.336 3.177 1.00 0.32 O ATOM 462 CB PHE A 32 5.697 0.119 2.572 1.00 0.32 C ATOM 463 CG PHE A 32 4.383 -0.338 2.094 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.247 -0.958 0.875 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.281 -0.145 2.871 1.00 0.26 C ATOM 466 CE1 PHE A 32 3.016 -1.389 0.446 1.00 0.36 C ATOM 467 CE2 PHE A 32 2.047 -0.567 2.446 1.00 0.28 C ATOM 468 CZ PHE A 32 1.938 -1.195 1.165 1.00 0.32 C ATOM 0 H PHE A 32 4.871 -1.063 4.614 1.00 0.26 H new ATOM 0 HA PHE A 32 6.486 -1.877 2.723 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.553 0.964 3.245 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.275 0.483 1.722 1.00 0.32 H new ATOM 0 HD1 PHE A 32 5.115 -1.107 0.250 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.380 0.344 3.829 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.935 -1.898 -0.503 1.00 0.36 H new ATOM 0 HE2 PHE A 32 1.174 -0.428 3.067 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.973 -1.507 0.793 1.00 0.32 H new ATOM 478 N THR A 33 8.218 0.731 3.663 1.00 0.27 N ATOM 479 CA THR A 33 9.587 1.175 3.813 1.00 0.31 C ATOM 480 C THR A 33 10.199 0.887 5.176 1.00 0.33 C ATOM 481 O THR A 33 10.465 1.802 5.948 1.00 0.47 O ATOM 482 CB THR A 33 9.772 2.630 3.424 1.00 0.37 C ATOM 483 OG1 THR A 33 8.573 3.378 3.708 1.00 0.47 O ATOM 484 CG2 THR A 33 10.132 2.725 1.972 1.00 0.39 C ATOM 0 H THR A 33 7.510 1.452 3.801 1.00 0.27 H new ATOM 0 HA THR A 33 10.145 0.563 3.104 1.00 0.31 H new ATOM 0 HB THR A 33 10.584 3.059 4.011 1.00 0.37 H new ATOM 0 HG1 THR A 33 8.705 4.315 3.455 1.00 0.47 H new ATOM 0 HG21 THR A 33 10.264 3.772 1.698 1.00 0.39 H new ATOM 0 HG22 THR A 33 11.060 2.183 1.791 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.334 2.290 1.370 1.00 0.39 H new ATOM 492 N ASP A 34 10.345 -0.402 5.484 1.00 0.34 N ATOM 493 CA ASP A 34 11.019 -0.857 6.702 1.00 0.39 C ATOM 494 C ASP A 34 11.117 -2.374 6.716 1.00 0.42 C ATOM 495 O ASP A 34 12.199 -2.936 6.868 1.00 0.57 O ATOM 496 CB ASP A 34 10.318 -0.364 7.969 1.00 0.43 C ATOM 497 CG ASP A 34 11.063 -0.752 9.229 1.00 0.59 C ATOM 498 OD1 ASP A 34 12.179 -0.208 9.457 1.00 0.72 O ATOM 499 OD2 ASP A 34 10.565 -1.607 10.003 1.00 0.73 O ATOM 0 H ASP A 34 10.000 -1.161 4.896 1.00 0.34 H new ATOM 0 HA ASP A 34 12.021 -0.429 6.695 1.00 0.39 H new ATOM 0 HB2 ASP A 34 10.220 0.721 7.928 1.00 0.43 H new ATOM 0 HB3 ASP A 34 9.309 -0.774 8.006 1.00 0.43 H new ATOM 504 N ASP A 35 9.989 -3.023 6.535 1.00 0.36 N ATOM 505 CA ASP A 35 9.911 -4.488 6.493 1.00 0.43 C ATOM 506 C ASP A 35 10.118 -4.988 5.088 1.00 0.44 C ATOM 507 O ASP A 35 10.880 -5.911 4.858 1.00 0.58 O ATOM 508 CB ASP A 35 8.552 -5.005 7.002 1.00 0.48 C ATOM 509 CG ASP A 35 8.363 -4.915 8.487 1.00 0.95 C ATOM 510 OD1 ASP A 35 8.958 -5.716 9.208 1.00 1.34 O ATOM 511 OD2 ASP A 35 7.629 -4.024 8.961 1.00 1.46 O ATOM 0 H ASP A 35 9.089 -2.559 6.411 1.00 0.36 H new ATOM 0 HA ASP A 35 10.698 -4.864 7.147 1.00 0.43 H new ATOM 0 HB2 ASP A 35 7.758 -4.440 6.514 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.437 -6.045 6.697 1.00 0.48 H new ATOM 516 N LEU A 36 9.421 -4.380 4.146 1.00 0.36 N ATOM 517 CA LEU A 36 9.528 -4.776 2.745 1.00 0.39 C ATOM 518 C LEU A 36 10.813 -4.255 2.160 1.00 0.46 C ATOM 519 O LEU A 36 11.516 -4.974 1.451 1.00 0.58 O ATOM 520 CB LEU A 36 8.334 -4.254 1.941 1.00 0.35 C ATOM 521 CG LEU A 36 6.972 -4.804 2.335 1.00 0.33 C ATOM 522 CD1 LEU A 36 5.879 -4.124 1.540 1.00 0.35 C ATOM 523 CD2 LEU A 36 6.930 -6.301 2.102 1.00 0.34 C ATOM 0 H LEU A 36 8.774 -3.611 4.320 1.00 0.36 H new ATOM 0 HA LEU A 36 9.527 -5.865 2.693 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.306 -3.168 2.034 1.00 0.35 H new ATOM 0 HB3 LEU A 36 8.504 -4.480 0.888 1.00 0.35 H new ATOM 0 HG LEU A 36 6.808 -4.605 3.394 1.00 0.33 H new ATOM 0 HD11 LEU A 36 4.910 -4.529 1.833 1.00 0.35 H new ATOM 0 HD12 LEU A 36 5.899 -3.052 1.737 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.039 -4.301 0.476 1.00 0.35 H new ATOM 0 HD21 LEU A 36 5.951 -6.686 2.387 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.109 -6.510 1.047 1.00 0.34 H new ATOM 0 HD23 LEU A 36 7.699 -6.785 2.704 1.00 0.34 H new ATOM 535 N ASP A 37 11.086 -2.988 2.474 1.00 0.41 N ATOM 536 CA ASP A 37 12.285 -2.250 2.075 1.00 0.52 C ATOM 537 C ASP A 37 12.135 -1.776 0.654 1.00 0.63 C ATOM 538 O ASP A 37 12.477 -2.466 -0.305 1.00 0.85 O ATOM 539 CB ASP A 37 13.604 -3.022 2.297 1.00 0.75 C ATOM 540 CG ASP A 37 14.834 -2.142 2.170 1.00 0.91 C ATOM 541 OD1 ASP A 37 15.285 -1.915 1.018 1.00 1.14 O ATOM 542 OD2 ASP A 37 15.353 -1.634 3.198 1.00 1.02 O ATOM 0 H ASP A 37 10.450 -2.424 3.038 1.00 0.41 H new ATOM 0 HA ASP A 37 12.366 -1.387 2.736 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.590 -3.477 3.287 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.669 -3.835 1.574 1.00 0.75 H new ATOM 547 N VAL A 38 11.530 -0.625 0.533 1.00 0.56 N ATOM 548 CA VAL A 38 11.237 -0.032 -0.727 1.00 0.80 C ATOM 549 C VAL A 38 12.290 1.047 -1.033 1.00 0.70 C ATOM 550 O VAL A 38 13.432 0.715 -1.342 1.00 0.96 O ATOM 551 CB VAL A 38 9.763 0.524 -0.719 1.00 1.06 C ATOM 552 CG1 VAL A 38 9.353 1.133 -2.049 1.00 0.89 C ATOM 553 CG2 VAL A 38 8.785 -0.584 -0.332 1.00 1.79 C ATOM 0 H VAL A 38 11.224 -0.068 1.331 1.00 0.56 H new ATOM 0 HA VAL A 38 11.289 -0.770 -1.527 1.00 0.80 H new ATOM 0 HB VAL A 38 9.733 1.323 0.021 1.00 1.06 H new ATOM 0 HG11 VAL A 38 8.328 1.498 -1.981 1.00 0.89 H new ATOM 0 HG12 VAL A 38 10.019 1.962 -2.290 1.00 0.89 H new ATOM 0 HG13 VAL A 38 9.418 0.376 -2.831 1.00 0.89 H new ATOM 0 HG21 VAL A 38 7.769 -0.188 -0.330 1.00 1.79 H new ATOM 0 HG22 VAL A 38 8.855 -1.399 -1.052 1.00 1.79 H new ATOM 0 HG23 VAL A 38 9.032 -0.956 0.662 1.00 1.79 H new ATOM 563 N ASP A 39 11.929 2.295 -0.861 1.00 0.50 N ATOM 564 CA ASP A 39 12.780 3.458 -1.159 1.00 0.50 C ATOM 565 C ASP A 39 11.916 4.690 -0.896 1.00 0.53 C ATOM 566 O ASP A 39 10.766 4.553 -0.463 1.00 0.78 O ATOM 567 CB ASP A 39 13.193 3.454 -2.649 1.00 0.56 C ATOM 568 CG ASP A 39 14.355 4.375 -3.009 1.00 0.66 C ATOM 569 OD1 ASP A 39 14.134 5.599 -3.209 1.00 0.69 O ATOM 570 OD2 ASP A 39 15.506 3.878 -3.123 1.00 0.79 O ATOM 0 H ASP A 39 11.011 2.554 -0.500 1.00 0.50 H new ATOM 0 HA ASP A 39 13.685 3.444 -0.551 1.00 0.50 H new ATOM 0 HB2 ASP A 39 13.458 2.435 -2.932 1.00 0.56 H new ATOM 0 HB3 ASP A 39 12.328 3.737 -3.249 1.00 0.56 H new ATOM 575 N SER A 40 12.409 5.843 -1.215 1.00 0.59 N ATOM 576 CA SER A 40 11.704 7.077 -0.993 1.00 0.68 C ATOM 577 C SER A 40 10.733 7.335 -2.144 1.00 0.64 C ATOM 578 O SER A 40 9.559 7.636 -1.943 1.00 0.71 O ATOM 579 CB SER A 40 12.701 8.252 -0.938 1.00 0.90 C ATOM 580 OG SER A 40 13.640 8.143 0.196 1.00 1.23 O ATOM 0 H SER A 40 13.327 5.962 -1.644 1.00 0.59 H new ATOM 0 HA SER A 40 11.162 6.998 -0.050 1.00 0.68 H new ATOM 0 HB2 SER A 40 13.265 8.290 -1.870 1.00 0.90 H new ATOM 0 HB3 SER A 40 12.150 9.189 -0.860 1.00 0.90 H new ATOM 0 HG SER A 40 14.252 8.908 0.188 1.00 1.23 H new ATOM 585 N LEU A 41 11.224 7.127 -3.340 1.00 0.60 N ATOM 586 CA LEU A 41 10.522 7.545 -4.554 1.00 0.64 C ATOM 587 C LEU A 41 9.413 6.603 -4.928 1.00 0.54 C ATOM 588 O LEU A 41 8.278 7.030 -5.214 1.00 0.60 O ATOM 589 CB LEU A 41 11.505 7.676 -5.714 1.00 0.75 C ATOM 590 CG LEU A 41 12.633 8.679 -5.516 1.00 0.89 C ATOM 591 CD1 LEU A 41 13.537 8.695 -6.726 1.00 1.02 C ATOM 592 CD2 LEU A 41 12.072 10.067 -5.252 1.00 1.02 C ATOM 0 H LEU A 41 12.117 6.666 -3.512 1.00 0.60 H new ATOM 0 HA LEU A 41 10.070 8.514 -4.344 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.944 6.697 -5.906 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.948 7.956 -6.608 1.00 0.75 H new ATOM 0 HG LEU A 41 13.219 8.376 -4.648 1.00 0.89 H new ATOM 0 HD11 LEU A 41 14.339 9.416 -6.571 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.964 7.703 -6.874 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.961 8.977 -7.607 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.893 10.771 -5.113 1.00 1.02 H new ATOM 0 HD22 LEU A 41 11.464 10.381 -6.101 1.00 1.02 H new ATOM 0 HD23 LEU A 41 11.456 10.046 -4.353 1.00 1.02 H new ATOM 604 N SER A 42 9.713 5.340 -4.868 1.00 0.43 N ATOM 605 CA SER A 42 8.812 4.313 -5.268 1.00 0.38 C ATOM 606 C SER A 42 7.649 4.200 -4.290 1.00 0.30 C ATOM 607 O SER A 42 6.564 3.775 -4.645 1.00 0.33 O ATOM 608 CB SER A 42 9.610 3.029 -5.391 1.00 0.39 C ATOM 609 OG SER A 42 10.560 2.962 -4.344 1.00 1.02 O ATOM 0 H SER A 42 10.611 4.993 -4.532 1.00 0.43 H new ATOM 0 HA SER A 42 8.358 4.541 -6.233 1.00 0.38 H new ATOM 0 HB2 SER A 42 8.943 2.168 -5.347 1.00 0.39 H new ATOM 0 HB3 SER A 42 10.114 2.993 -6.357 1.00 0.39 H new ATOM 0 HG SER A 42 11.075 2.132 -4.422 1.00 1.02 H new ATOM 615 N MET A 43 7.882 4.656 -3.074 1.00 0.26 N ATOM 616 CA MET A 43 6.875 4.676 -2.036 1.00 0.26 C ATOM 617 C MET A 43 5.701 5.557 -2.444 1.00 0.25 C ATOM 618 O MET A 43 4.538 5.180 -2.309 1.00 0.26 O ATOM 619 CB MET A 43 7.485 5.211 -0.755 1.00 0.35 C ATOM 620 CG MET A 43 6.525 5.223 0.409 1.00 0.48 C ATOM 621 SD MET A 43 5.682 3.642 0.589 1.00 0.55 S ATOM 622 CE MET A 43 7.068 2.540 0.561 1.00 0.52 C ATOM 0 H MET A 43 8.785 5.026 -2.778 1.00 0.26 H new ATOM 0 HA MET A 43 6.512 3.660 -1.880 1.00 0.26 H new ATOM 0 HB2 MET A 43 8.353 4.605 -0.494 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.845 6.225 -0.929 1.00 0.35 H new ATOM 0 HG2 MET A 43 7.067 5.453 1.326 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.789 6.014 0.266 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.763 1.583 0.137 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.863 2.970 -0.048 1.00 0.52 H new ATOM 0 HE3 MET A 43 7.432 2.387 1.577 1.00 0.52 H new ATOM 632 N VAL A 44 6.023 6.704 -3.001 1.00 0.29 N ATOM 633 CA VAL A 44 5.036 7.671 -3.405 1.00 0.33 C ATOM 634 C VAL A 44 4.266 7.140 -4.609 1.00 0.26 C ATOM 635 O VAL A 44 3.064 7.362 -4.730 1.00 0.28 O ATOM 636 CB VAL A 44 5.695 9.045 -3.725 1.00 0.47 C ATOM 637 CG1 VAL A 44 4.651 10.097 -4.091 1.00 0.55 C ATOM 638 CG2 VAL A 44 6.536 9.517 -2.540 1.00 0.56 C ATOM 0 H VAL A 44 6.984 6.990 -3.186 1.00 0.29 H new ATOM 0 HA VAL A 44 4.340 7.830 -2.581 1.00 0.33 H new ATOM 0 HB VAL A 44 6.344 8.910 -4.590 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.148 11.043 -4.308 1.00 0.55 H new ATOM 0 HG12 VAL A 44 4.096 9.769 -4.970 1.00 0.55 H new ATOM 0 HG13 VAL A 44 3.962 10.232 -3.257 1.00 0.55 H new ATOM 0 HG21 VAL A 44 6.991 10.479 -2.777 1.00 0.56 H new ATOM 0 HG22 VAL A 44 5.900 9.623 -1.662 1.00 0.56 H new ATOM 0 HG23 VAL A 44 7.318 8.786 -2.335 1.00 0.56 H new ATOM 648 N GLU A 45 4.951 6.373 -5.454 1.00 0.24 N ATOM 649 CA GLU A 45 4.337 5.783 -6.611 1.00 0.22 C ATOM 650 C GLU A 45 3.344 4.716 -6.177 1.00 0.19 C ATOM 651 O GLU A 45 2.289 4.585 -6.770 1.00 0.21 O ATOM 652 CB GLU A 45 5.395 5.201 -7.528 1.00 0.29 C ATOM 653 CG GLU A 45 6.366 6.227 -8.073 1.00 0.47 C ATOM 654 CD GLU A 45 7.487 5.606 -8.860 1.00 1.18 C ATOM 655 OE1 GLU A 45 7.217 4.981 -9.897 1.00 1.25 O ATOM 656 OE2 GLU A 45 8.657 5.700 -8.437 1.00 2.08 O ATOM 0 H GLU A 45 5.941 6.152 -5.345 1.00 0.24 H new ATOM 0 HA GLU A 45 3.799 6.552 -7.165 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.954 4.439 -6.984 1.00 0.29 H new ATOM 0 HB3 GLU A 45 4.903 4.701 -8.363 1.00 0.29 H new ATOM 0 HG2 GLU A 45 5.827 6.929 -8.709 1.00 0.47 H new ATOM 0 HG3 GLU A 45 6.783 6.801 -7.246 1.00 0.47 H new ATOM 663 N VAL A 46 3.691 3.971 -5.120 1.00 0.20 N ATOM 664 CA VAL A 46 2.791 2.966 -4.551 1.00 0.22 C ATOM 665 C VAL A 46 1.489 3.639 -4.109 1.00 0.25 C ATOM 666 O VAL A 46 0.412 3.157 -4.432 1.00 0.31 O ATOM 667 CB VAL A 46 3.444 2.195 -3.351 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.465 1.198 -2.743 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.692 1.455 -3.805 1.00 0.49 C ATOM 0 H VAL A 46 4.589 4.047 -4.643 1.00 0.20 H new ATOM 0 HA VAL A 46 2.581 2.228 -5.325 1.00 0.22 H new ATOM 0 HB VAL A 46 3.714 2.933 -2.596 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.944 0.678 -1.913 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.585 1.728 -2.379 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.165 0.474 -3.501 1.00 0.52 H new ATOM 0 HG21 VAL A 46 5.130 0.927 -2.958 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.427 0.738 -4.582 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.415 2.169 -4.200 1.00 0.49 H new ATOM 679 N VAL A 47 1.612 4.760 -3.388 1.00 0.25 N ATOM 680 CA VAL A 47 0.449 5.564 -2.964 1.00 0.28 C ATOM 681 C VAL A 47 -0.391 5.937 -4.190 1.00 0.27 C ATOM 682 O VAL A 47 -1.549 5.528 -4.306 1.00 0.30 O ATOM 683 CB VAL A 47 0.907 6.876 -2.278 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.296 7.712 -1.837 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.813 6.580 -1.096 1.00 0.32 C ATOM 0 H VAL A 47 2.509 5.136 -3.082 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.135 4.969 -2.261 1.00 0.28 H new ATOM 0 HB VAL A 47 1.474 7.455 -3.007 1.00 0.31 H new ATOM 0 HG11 VAL A 47 0.053 8.627 -1.359 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -0.902 7.965 -2.707 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -0.897 7.140 -1.131 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.122 7.516 -0.631 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.275 5.973 -0.368 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.694 6.038 -1.440 1.00 0.32 H new ATOM 695 N VAL A 48 0.223 6.718 -5.084 1.00 0.25 N ATOM 696 CA VAL A 48 -0.391 7.148 -6.357 1.00 0.28 C ATOM 697 C VAL A 48 -1.100 5.976 -7.089 1.00 0.28 C ATOM 698 O VAL A 48 -2.286 6.077 -7.450 1.00 0.31 O ATOM 699 CB VAL A 48 0.692 7.770 -7.298 1.00 0.35 C ATOM 700 CG1 VAL A 48 0.115 8.089 -8.666 1.00 0.56 C ATOM 701 CG2 VAL A 48 1.268 9.036 -6.683 1.00 0.58 C ATOM 0 H VAL A 48 1.169 7.076 -4.949 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.144 7.897 -6.113 1.00 0.28 H new ATOM 0 HB VAL A 48 1.486 7.033 -7.418 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.892 8.520 -9.297 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.260 7.174 -9.125 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -0.702 8.802 -8.559 1.00 0.56 H new ATOM 0 HG21 VAL A 48 2.020 9.456 -7.351 1.00 0.58 H new ATOM 0 HG22 VAL A 48 0.470 9.763 -6.533 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.727 8.798 -5.724 1.00 0.58 H new ATOM 711 N ALA A 49 -0.378 4.890 -7.308 1.00 0.29 N ATOM 712 CA ALA A 49 -0.920 3.734 -8.009 1.00 0.34 C ATOM 713 C ALA A 49 -2.070 3.090 -7.241 1.00 0.36 C ATOM 714 O ALA A 49 -3.040 2.648 -7.841 1.00 0.42 O ATOM 715 CB ALA A 49 0.164 2.713 -8.300 1.00 0.38 C ATOM 0 H ALA A 49 0.591 4.783 -7.009 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.318 4.095 -8.958 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.270 1.861 -8.824 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.935 3.168 -8.923 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.607 2.376 -7.363 1.00 0.38 H new ATOM 721 N ALA A 50 -1.974 3.063 -5.918 1.00 0.34 N ATOM 722 CA ALA A 50 -3.012 2.473 -5.082 1.00 0.37 C ATOM 723 C ALA A 50 -4.326 3.216 -5.235 1.00 0.36 C ATOM 724 O ALA A 50 -5.390 2.604 -5.265 1.00 0.38 O ATOM 725 CB ALA A 50 -2.591 2.422 -3.624 1.00 0.38 C ATOM 0 H ALA A 50 -1.184 3.445 -5.398 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.159 1.448 -5.422 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.389 1.976 -3.030 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.687 1.820 -3.527 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.394 3.433 -3.267 1.00 0.38 H new ATOM 731 N GLU A 51 -4.249 4.528 -5.373 1.00 0.36 N ATOM 732 CA GLU A 51 -5.426 5.346 -5.571 1.00 0.39 C ATOM 733 C GLU A 51 -6.183 4.876 -6.815 1.00 0.42 C ATOM 734 O GLU A 51 -7.380 4.616 -6.769 1.00 0.53 O ATOM 735 CB GLU A 51 -5.033 6.813 -5.720 1.00 0.37 C ATOM 736 CG GLU A 51 -4.222 7.362 -4.558 1.00 0.47 C ATOM 737 CD GLU A 51 -3.829 8.810 -4.751 1.00 0.94 C ATOM 738 OE1 GLU A 51 -2.919 9.091 -5.554 1.00 1.36 O ATOM 739 OE2 GLU A 51 -4.426 9.699 -4.106 1.00 1.11 O ATOM 0 H GLU A 51 -3.373 5.051 -5.351 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.074 5.246 -4.700 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.458 6.932 -6.638 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -5.938 7.410 -5.831 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -4.801 7.267 -3.639 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.322 6.760 -4.432 1.00 0.47 H new ATOM 746 N GLU A 52 -5.460 4.686 -7.886 1.00 0.40 N ATOM 747 CA GLU A 52 -6.054 4.283 -9.138 1.00 0.48 C ATOM 748 C GLU A 52 -6.434 2.793 -9.141 1.00 0.43 C ATOM 749 O GLU A 52 -7.511 2.424 -9.603 1.00 0.55 O ATOM 750 CB GLU A 52 -5.101 4.576 -10.291 1.00 0.61 C ATOM 751 CG GLU A 52 -5.660 4.191 -11.652 1.00 0.77 C ATOM 752 CD GLU A 52 -4.687 4.388 -12.776 1.00 1.23 C ATOM 753 OE1 GLU A 52 -4.545 5.534 -13.261 1.00 1.49 O ATOM 754 OE2 GLU A 52 -4.029 3.421 -13.171 1.00 2.09 O ATOM 0 H GLU A 52 -4.447 4.805 -7.918 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.970 4.860 -9.265 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.861 5.639 -10.293 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -4.167 4.039 -10.125 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -5.967 3.146 -11.627 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -6.555 4.782 -11.849 1.00 0.77 H new ATOM 761 N ARG A 53 -5.579 1.959 -8.579 1.00 0.34 N ATOM 762 CA ARG A 53 -5.737 0.506 -8.651 1.00 0.34 C ATOM 763 C ARG A 53 -6.940 0.060 -7.856 1.00 0.31 C ATOM 764 O ARG A 53 -7.640 -0.877 -8.227 1.00 0.44 O ATOM 765 CB ARG A 53 -4.485 -0.188 -8.098 1.00 0.40 C ATOM 766 CG ARG A 53 -4.385 -1.669 -8.431 1.00 0.53 C ATOM 767 CD ARG A 53 -4.195 -1.835 -9.916 1.00 0.70 C ATOM 768 NE ARG A 53 -4.094 -3.221 -10.353 1.00 1.27 N ATOM 769 CZ ARG A 53 -4.496 -3.666 -11.546 1.00 1.88 C ATOM 770 NH1 ARG A 53 -5.249 -2.905 -12.334 1.00 2.23 N ATOM 771 NH2 ARG A 53 -4.180 -4.890 -11.926 1.00 2.75 N ATOM 0 H ARG A 53 -4.755 2.262 -8.059 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.879 0.232 -9.697 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.602 0.319 -8.487 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.469 -0.070 -7.014 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.550 -2.118 -7.894 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.288 -2.188 -8.108 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -5.030 -1.363 -10.433 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -3.292 -1.304 -10.217 1.00 0.70 H new ATOM 0 HE ARG A 53 -3.689 -3.896 -9.705 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -5.525 -1.972 -12.029 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -5.551 -3.254 -13.244 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -3.632 -5.490 -11.310 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -4.484 -5.236 -12.836 1.00 2.75 H new ATOM 785 N PHE A 54 -7.172 0.740 -6.774 1.00 0.25 N ATOM 786 CA PHE A 54 -8.245 0.401 -5.874 1.00 0.31 C ATOM 787 C PHE A 54 -9.466 1.266 -6.150 1.00 0.32 C ATOM 788 O PHE A 54 -10.516 1.093 -5.523 1.00 0.36 O ATOM 789 CB PHE A 54 -7.774 0.579 -4.428 1.00 0.38 C ATOM 790 CG PHE A 54 -6.651 -0.347 -3.996 1.00 0.38 C ATOM 791 CD1 PHE A 54 -5.416 -0.270 -4.587 1.00 0.62 C ATOM 792 CD2 PHE A 54 -6.848 -1.310 -3.020 1.00 0.69 C ATOM 793 CE1 PHE A 54 -4.411 -1.129 -4.210 1.00 0.63 C ATOM 794 CE2 PHE A 54 -5.850 -2.159 -2.648 1.00 0.73 C ATOM 795 CZ PHE A 54 -4.590 -1.985 -3.181 1.00 0.46 C ATOM 0 H PHE A 54 -6.623 1.550 -6.485 1.00 0.25 H new ATOM 0 HA PHE A 54 -8.528 -0.640 -6.031 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.446 1.610 -4.294 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -8.625 0.427 -3.764 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -5.232 0.469 -5.353 1.00 0.62 H new ATOM 0 HD2 PHE A 54 -7.814 -1.389 -2.544 1.00 0.69 H new ATOM 0 HE1 PHE A 54 -3.471 -1.119 -4.741 1.00 0.63 H new ATOM 0 HE2 PHE A 54 -6.043 -2.957 -1.946 1.00 0.73 H new ATOM 0 HZ PHE A 54 -3.750 -2.531 -2.777 1.00 0.46 H new ATOM 805 N ASP A 55 -9.301 2.213 -7.088 1.00 0.38 N ATOM 806 CA ASP A 55 -10.357 3.162 -7.524 1.00 0.45 C ATOM 807 C ASP A 55 -10.815 4.068 -6.395 1.00 0.50 C ATOM 808 O ASP A 55 -11.857 4.716 -6.472 1.00 0.89 O ATOM 809 CB ASP A 55 -11.557 2.442 -8.172 1.00 0.51 C ATOM 810 CG ASP A 55 -11.210 1.782 -9.487 1.00 1.10 C ATOM 811 OD1 ASP A 55 -10.799 0.593 -9.494 1.00 2.02 O ATOM 812 OD2 ASP A 55 -11.336 2.427 -10.549 1.00 1.24 O ATOM 0 H ASP A 55 -8.417 2.349 -7.578 1.00 0.38 H new ATOM 0 HA ASP A 55 -9.901 3.792 -8.287 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.937 1.688 -7.482 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.361 3.160 -8.333 1.00 0.51 H new ATOM 817 N VAL A 56 -9.993 4.173 -5.387 1.00 0.40 N ATOM 818 CA VAL A 56 -10.292 4.974 -4.228 1.00 0.48 C ATOM 819 C VAL A 56 -9.386 6.193 -4.215 1.00 0.67 C ATOM 820 O VAL A 56 -8.744 6.504 -5.214 1.00 1.61 O ATOM 821 CB VAL A 56 -10.099 4.178 -2.885 1.00 0.50 C ATOM 822 CG1 VAL A 56 -11.044 3.007 -2.788 1.00 1.07 C ATOM 823 CG2 VAL A 56 -8.662 3.694 -2.726 1.00 1.21 C ATOM 0 H VAL A 56 -9.089 3.702 -5.345 1.00 0.40 H new ATOM 0 HA VAL A 56 -11.340 5.267 -4.293 1.00 0.48 H new ATOM 0 HB VAL A 56 -10.327 4.872 -2.076 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -10.879 2.483 -1.846 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -12.073 3.365 -2.829 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -10.864 2.325 -3.619 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -8.564 3.148 -1.788 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -8.405 3.037 -3.557 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -7.988 4.551 -2.720 1.00 1.21 H new ATOM 833 N LYS A 57 -9.339 6.876 -3.110 1.00 0.51 N ATOM 834 CA LYS A 57 -8.406 7.943 -2.925 1.00 0.49 C ATOM 835 C LYS A 57 -7.682 7.724 -1.647 1.00 0.40 C ATOM 836 O LYS A 57 -8.299 7.612 -0.585 1.00 0.52 O ATOM 837 CB LYS A 57 -9.067 9.331 -2.916 1.00 0.67 C ATOM 838 CG LYS A 57 -9.736 9.760 -4.224 1.00 1.22 C ATOM 839 CD LYS A 57 -8.794 9.661 -5.432 1.00 1.26 C ATOM 840 CE LYS A 57 -7.477 10.420 -5.251 1.00 1.28 C ATOM 841 NZ LYS A 57 -7.658 11.866 -5.006 1.00 1.67 N ATOM 0 H LYS A 57 -9.949 6.707 -2.310 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.721 7.933 -3.773 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.815 9.351 -2.124 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -8.310 10.071 -2.658 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -10.613 9.137 -4.400 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -10.089 10.787 -4.127 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -8.574 8.611 -5.625 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -9.307 10.046 -6.313 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -6.928 9.984 -4.416 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -6.864 10.285 -6.142 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -6.728 12.318 -4.893 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -8.156 12.295 -5.812 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -8.218 12.004 -4.140 1.00 1.67 H new ATOM 855 N ILE A 58 -6.396 7.608 -1.755 1.00 0.37 N ATOM 856 CA ILE A 58 -5.529 7.455 -0.629 1.00 0.33 C ATOM 857 C ILE A 58 -4.479 8.526 -0.784 1.00 0.32 C ATOM 858 O ILE A 58 -3.461 8.302 -1.414 1.00 0.35 O ATOM 859 CB ILE A 58 -4.823 6.072 -0.614 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.829 4.943 -0.842 1.00 0.39 C ATOM 861 CG2 ILE A 58 -4.118 5.874 0.722 1.00 0.38 C ATOM 862 CD1 ILE A 58 -5.193 3.586 -1.016 1.00 0.49 C ATOM 0 H ILE A 58 -5.908 7.617 -2.650 1.00 0.37 H new ATOM 0 HA ILE A 58 -6.101 7.532 0.296 1.00 0.33 H new ATOM 0 HB ILE A 58 -4.092 6.047 -1.422 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.517 4.906 0.003 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.423 5.172 -1.727 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.623 4.903 0.732 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.377 6.661 0.862 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.849 5.916 1.529 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.970 2.838 -1.173 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.527 3.604 -1.879 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.622 3.334 -0.122 1.00 0.49 H new ATOM 874 N PRO A 59 -4.752 9.730 -0.301 1.00 0.39 N ATOM 875 CA PRO A 59 -3.863 10.849 -0.512 1.00 0.44 C ATOM 876 C PRO A 59 -2.555 10.715 0.244 1.00 0.37 C ATOM 877 O PRO A 59 -2.526 10.196 1.379 1.00 0.39 O ATOM 878 CB PRO A 59 -4.654 12.053 0.002 1.00 0.62 C ATOM 879 CG PRO A 59 -5.631 11.489 0.971 1.00 0.57 C ATOM 880 CD PRO A 59 -5.942 10.100 0.493 1.00 0.50 C ATOM 0 HA PRO A 59 -3.574 10.930 -1.560 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.998 12.780 0.481 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -5.161 12.569 -0.813 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -5.214 11.470 1.978 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -6.534 12.098 1.012 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -6.097 9.415 1.326 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.849 10.078 -0.111 1.00 0.50 H new ATOM 888 N ASP A 60 -1.476 11.180 -0.399 1.00 0.39 N ATOM 889 CA ASP A 60 -0.115 11.268 0.179 1.00 0.46 C ATOM 890 C ASP A 60 -0.115 11.813 1.617 1.00 0.50 C ATOM 891 O ASP A 60 0.734 11.470 2.403 1.00 0.63 O ATOM 892 CB ASP A 60 0.794 12.124 -0.729 1.00 0.64 C ATOM 893 CG ASP A 60 2.186 12.379 -0.153 1.00 1.34 C ATOM 894 OD1 ASP A 60 2.929 11.403 0.107 1.00 1.93 O ATOM 895 OD2 ASP A 60 2.546 13.543 0.100 1.00 2.00 O ATOM 0 H ASP A 60 -1.519 11.516 -1.361 1.00 0.39 H new ATOM 0 HA ASP A 60 0.279 10.253 0.231 1.00 0.46 H new ATOM 0 HB2 ASP A 60 0.897 11.628 -1.694 1.00 0.64 H new ATOM 0 HB3 ASP A 60 0.307 13.082 -0.913 1.00 0.64 H new ATOM 900 N ASP A 61 -1.094 12.622 1.950 1.00 0.51 N ATOM 901 CA ASP A 61 -1.232 13.150 3.303 1.00 0.63 C ATOM 902 C ASP A 61 -1.645 12.054 4.296 1.00 0.62 C ATOM 903 O ASP A 61 -0.915 11.751 5.237 1.00 0.74 O ATOM 904 CB ASP A 61 -2.261 14.284 3.358 1.00 0.74 C ATOM 905 CG ASP A 61 -1.860 15.513 2.588 1.00 1.36 C ATOM 906 OD1 ASP A 61 -0.979 16.263 3.057 1.00 1.65 O ATOM 907 OD2 ASP A 61 -2.451 15.775 1.515 1.00 2.09 O ATOM 0 H ASP A 61 -1.816 12.936 1.302 1.00 0.51 H new ATOM 0 HA ASP A 61 -0.254 13.538 3.586 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -3.211 13.918 2.969 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -2.428 14.559 4.399 1.00 0.74 H new ATOM 912 N ASP A 62 -2.790 11.425 4.049 1.00 0.57 N ATOM 913 CA ASP A 62 -3.360 10.423 4.986 1.00 0.65 C ATOM 914 C ASP A 62 -2.656 9.111 4.917 1.00 0.53 C ATOM 915 O ASP A 62 -2.696 8.323 5.873 1.00 0.59 O ATOM 916 CB ASP A 62 -4.856 10.188 4.753 1.00 0.80 C ATOM 917 CG ASP A 62 -5.723 11.342 5.155 1.00 0.98 C ATOM 918 OD1 ASP A 62 -5.937 12.258 4.334 1.00 1.54 O ATOM 919 OD2 ASP A 62 -6.188 11.383 6.306 1.00 1.58 O ATOM 0 H ASP A 62 -3.352 11.581 3.212 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.216 10.852 5.977 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -5.020 9.974 3.697 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -5.165 9.303 5.309 1.00 0.80 H new ATOM 924 N VAL A 63 -2.015 8.866 3.813 1.00 0.42 N ATOM 925 CA VAL A 63 -1.301 7.637 3.591 1.00 0.39 C ATOM 926 C VAL A 63 -0.131 7.494 4.591 1.00 0.44 C ATOM 927 O VAL A 63 0.287 6.386 4.933 1.00 0.50 O ATOM 928 CB VAL A 63 -0.814 7.520 2.127 1.00 0.41 C ATOM 929 CG1 VAL A 63 0.415 8.350 1.843 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.625 6.099 1.726 1.00 0.59 C ATOM 0 H VAL A 63 -1.971 9.519 3.031 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.992 6.812 3.765 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.608 7.937 1.508 1.00 0.41 H new ATOM 0 HG11 VAL A 63 0.706 8.224 0.800 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.197 9.401 2.035 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.231 8.025 2.489 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.283 6.055 0.692 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.118 5.634 2.374 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.571 5.566 1.818 1.00 0.59 H new ATOM 940 N LYS A 64 0.315 8.633 5.127 1.00 0.49 N ATOM 941 CA LYS A 64 1.440 8.679 6.050 1.00 0.63 C ATOM 942 C LYS A 64 1.091 8.116 7.430 1.00 0.64 C ATOM 943 O LYS A 64 1.934 8.056 8.321 1.00 0.85 O ATOM 944 CB LYS A 64 1.993 10.098 6.163 1.00 0.76 C ATOM 945 CG LYS A 64 2.383 10.683 4.825 1.00 0.76 C ATOM 946 CD LYS A 64 3.034 12.044 4.964 1.00 1.04 C ATOM 947 CE LYS A 64 3.278 12.666 3.599 1.00 1.55 C ATOM 948 NZ LYS A 64 4.037 11.766 2.715 1.00 2.44 N ATOM 0 H LYS A 64 -0.096 9.545 4.930 1.00 0.49 H new ATOM 0 HA LYS A 64 2.216 8.035 5.635 1.00 0.63 H new ATOM 0 HB2 LYS A 64 1.245 10.738 6.630 1.00 0.76 H new ATOM 0 HB3 LYS A 64 2.863 10.093 6.820 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.069 10.004 4.319 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.497 10.768 4.195 1.00 0.76 H new ATOM 0 HD2 LYS A 64 2.396 12.698 5.558 1.00 1.04 H new ATOM 0 HD3 LYS A 64 3.979 11.948 5.499 1.00 1.04 H new ATOM 0 HE2 LYS A 64 2.322 12.910 3.135 1.00 1.55 H new ATOM 0 HE3 LYS A 64 3.823 13.602 3.719 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 4.764 12.310 2.208 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 4.493 11.024 3.284 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 3.391 11.328 2.028 1.00 2.44 H new ATOM 962 N ASN A 65 -0.151 7.732 7.608 1.00 0.51 N ATOM 963 CA ASN A 65 -0.597 7.110 8.848 1.00 0.57 C ATOM 964 C ASN A 65 -0.831 5.615 8.593 1.00 0.50 C ATOM 965 O ASN A 65 -1.315 4.868 9.446 1.00 0.66 O ATOM 966 CB ASN A 65 -1.882 7.808 9.356 1.00 0.65 C ATOM 967 CG ASN A 65 -2.416 7.269 10.690 1.00 1.37 C ATOM 968 OD1 ASN A 65 -1.659 6.785 11.541 1.00 1.93 O ATOM 969 ND2 ASN A 65 -3.707 7.383 10.887 1.00 1.94 N ATOM 0 H ASN A 65 -0.883 7.838 6.906 1.00 0.51 H new ATOM 0 HA ASN A 65 0.163 7.218 9.622 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -1.682 8.874 9.464 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -2.660 7.704 8.599 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -4.119 7.067 11.765 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -4.300 7.787 10.162 1.00 1.94 H new ATOM 976 N LEU A 66 -0.471 5.172 7.412 1.00 0.42 N ATOM 977 CA LEU A 66 -0.652 3.791 7.068 1.00 0.43 C ATOM 978 C LEU A 66 0.616 3.007 7.334 1.00 0.66 C ATOM 979 O LEU A 66 0.634 2.194 8.218 1.00 1.67 O ATOM 980 CB LEU A 66 -1.130 3.626 5.624 1.00 0.41 C ATOM 981 CG LEU A 66 -2.421 4.377 5.267 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.848 4.078 3.847 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.535 4.051 6.245 1.00 0.39 C ATOM 0 H LEU A 66 -0.054 5.747 6.680 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.437 3.384 7.705 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.337 3.963 4.956 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.282 2.564 5.429 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.213 5.444 5.340 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.765 4.623 3.620 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -2.062 4.388 3.158 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -3.025 3.008 3.738 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.436 4.598 5.966 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.738 2.980 6.221 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.232 4.340 7.251 1.00 0.39 H new ATOM 995 N LYS A 67 1.668 3.269 6.561 1.00 0.54 N ATOM 996 CA LYS A 67 3.022 2.633 6.672 1.00 0.48 C ATOM 997 C LYS A 67 3.084 1.092 6.505 1.00 0.44 C ATOM 998 O LYS A 67 4.102 0.554 6.074 1.00 0.58 O ATOM 999 CB LYS A 67 3.941 3.195 7.827 1.00 0.60 C ATOM 1000 CG LYS A 67 3.373 3.222 9.256 1.00 0.99 C ATOM 1001 CD LYS A 67 3.097 1.834 9.813 1.00 1.79 C ATOM 1002 CE LYS A 67 2.406 1.917 11.159 1.00 2.52 C ATOM 1003 NZ LYS A 67 1.982 0.592 11.643 1.00 3.18 N ATOM 0 H LYS A 67 1.621 3.953 5.805 1.00 0.54 H new ATOM 0 HA LYS A 67 3.491 2.989 5.755 1.00 0.48 H new ATOM 0 HB2 LYS A 67 4.856 2.603 7.843 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.225 4.213 7.562 1.00 0.60 H new ATOM 0 HG2 LYS A 67 4.076 3.737 9.911 1.00 0.99 H new ATOM 0 HG3 LYS A 67 2.449 3.800 9.263 1.00 0.99 H new ATOM 0 HD2 LYS A 67 2.474 1.275 9.114 1.00 1.79 H new ATOM 0 HD3 LYS A 67 4.034 1.286 9.914 1.00 1.79 H new ATOM 0 HE2 LYS A 67 3.080 2.370 11.886 1.00 2.52 H new ATOM 0 HE3 LYS A 67 1.537 2.570 11.081 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 1.669 0.667 12.632 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 1.197 0.243 11.057 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 2.780 -0.072 11.582 1.00 3.18 H new ATOM 1017 N THR A 68 2.034 0.389 6.837 1.00 0.36 N ATOM 1018 CA THR A 68 2.013 -1.022 6.587 1.00 0.32 C ATOM 1019 C THR A 68 1.014 -1.342 5.532 1.00 0.30 C ATOM 1020 O THR A 68 0.171 -0.516 5.167 1.00 0.35 O ATOM 1021 CB THR A 68 1.672 -1.934 7.801 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.390 -1.629 8.330 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.721 -1.922 8.875 1.00 0.34 C ATOM 0 H THR A 68 1.194 0.766 7.275 1.00 0.36 H new ATOM 0 HA THR A 68 3.042 -1.237 6.299 1.00 0.32 H new ATOM 0 HB THR A 68 1.653 -2.953 7.413 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.466 -0.885 8.963 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.416 -2.580 9.689 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.668 -2.270 8.463 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.842 -0.907 9.254 1.00 0.34 H new ATOM 1031 N VAL A 69 1.089 -2.546 5.094 1.00 0.27 N ATOM 1032 CA VAL A 69 0.150 -3.132 4.185 1.00 0.26 C ATOM 1033 C VAL A 69 -1.202 -3.337 4.886 1.00 0.27 C ATOM 1034 O VAL A 69 -2.269 -3.153 4.285 1.00 0.34 O ATOM 1035 CB VAL A 69 0.699 -4.479 3.692 1.00 0.28 C ATOM 1036 CG1 VAL A 69 1.757 -4.259 2.641 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.335 -5.216 4.845 1.00 0.35 C ATOM 0 H VAL A 69 1.836 -3.185 5.366 1.00 0.27 H new ATOM 0 HA VAL A 69 0.003 -2.467 3.334 1.00 0.26 H new ATOM 0 HB VAL A 69 -0.126 -5.055 3.274 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.137 -5.222 2.300 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.325 -3.720 1.797 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.574 -3.675 3.064 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.725 -6.172 4.495 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.151 -4.619 5.253 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.590 -5.390 5.621 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.135 -3.693 6.162 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.323 -3.925 6.946 1.00 0.30 C ATOM 1049 C GLY A 70 -3.060 -2.638 7.239 1.00 0.28 C ATOM 1050 O GLY A 70 -4.270 -2.553 7.029 1.00 0.30 O ATOM 0 H GLY A 70 -0.261 -3.826 6.671 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -2.983 -4.609 6.413 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.051 -4.410 7.883 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.324 -1.622 7.691 1.00 0.29 N ATOM 1055 CA ASP A 71 -2.910 -0.299 7.966 1.00 0.32 C ATOM 1056 C ASP A 71 -3.489 0.286 6.698 1.00 0.27 C ATOM 1057 O ASP A 71 -4.556 0.904 6.725 1.00 0.29 O ATOM 1058 CB ASP A 71 -1.899 0.709 8.545 1.00 0.46 C ATOM 1059 CG ASP A 71 -1.447 0.481 9.986 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -2.176 0.881 10.914 1.00 1.19 O ATOM 1061 OD2 ASP A 71 -0.313 -0.035 10.224 1.00 1.79 O ATOM 0 H ASP A 71 -1.323 -1.684 7.876 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.684 -0.464 8.715 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.015 0.708 7.907 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -2.337 1.705 8.480 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.783 0.086 5.579 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.247 0.551 4.280 1.00 0.26 C ATOM 1068 C ALA A 72 -4.603 -0.054 3.976 1.00 0.25 C ATOM 1069 O ALA A 72 -5.572 0.665 3.818 1.00 0.26 O ATOM 1070 CB ALA A 72 -2.247 0.200 3.190 1.00 0.29 C ATOM 0 H ALA A 72 -1.885 -0.398 5.554 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.341 1.637 4.309 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.616 0.558 2.229 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.289 0.672 3.409 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -2.118 -0.882 3.149 1.00 0.29 H new ATOM 1076 N THR A 73 -4.657 -1.372 3.939 1.00 0.25 N ATOM 1077 CA THR A 73 -5.880 -2.136 3.766 1.00 0.26 C ATOM 1078 C THR A 73 -7.005 -1.679 4.713 1.00 0.28 C ATOM 1079 O THR A 73 -8.141 -1.564 4.300 1.00 0.31 O ATOM 1080 CB THR A 73 -5.561 -3.608 4.005 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.571 -3.994 3.057 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.797 -4.481 3.850 1.00 0.28 C ATOM 0 H THR A 73 -3.828 -1.958 4.031 1.00 0.25 H new ATOM 0 HA THR A 73 -6.245 -1.974 2.752 1.00 0.26 H new ATOM 0 HB THR A 73 -5.201 -3.741 5.025 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.680 -3.813 3.422 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.531 -5.523 4.028 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.554 -4.172 4.571 1.00 0.28 H new ATOM 0 HG23 THR A 73 -7.193 -4.375 2.840 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.667 -1.416 5.954 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.613 -0.963 6.963 1.00 0.34 C ATOM 1092 C LYS A 74 -8.274 0.360 6.516 1.00 0.31 C ATOM 1093 O LYS A 74 -9.490 0.539 6.641 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.855 -0.799 8.283 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.688 -0.505 9.507 1.00 0.58 C ATOM 1096 CD LYS A 74 -6.790 -0.470 10.729 1.00 1.60 C ATOM 1097 CE LYS A 74 -7.564 -0.268 12.013 1.00 2.24 C ATOM 1098 NZ LYS A 74 -6.664 -0.277 13.183 1.00 2.93 N ATOM 0 H LYS A 74 -5.713 -1.510 6.302 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.413 -1.691 7.097 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.289 -1.712 8.467 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -6.130 0.006 8.162 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -8.201 0.450 9.391 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -8.457 -1.267 9.629 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -6.229 -1.402 10.790 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -6.062 0.333 10.618 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -8.102 0.679 11.972 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -8.311 -1.055 12.119 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -7.221 -0.136 14.050 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -6.169 -1.190 13.233 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -5.967 0.490 13.091 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.474 1.235 5.928 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.944 2.513 5.416 1.00 0.25 C ATOM 1114 C TYR A 75 -8.678 2.299 4.112 1.00 0.23 C ATOM 1115 O TYR A 75 -9.705 2.904 3.870 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.768 3.490 5.202 1.00 0.29 C ATOM 1117 CG TYR A 75 -7.141 4.814 4.530 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.568 5.903 5.287 1.00 0.41 C ATOM 1119 CD2 TYR A 75 -7.044 4.977 3.153 1.00 0.36 C ATOM 1120 CE1 TYR A 75 -7.888 7.107 4.696 1.00 0.47 C ATOM 1121 CE2 TYR A 75 -7.371 6.180 2.550 1.00 0.42 C ATOM 1122 CZ TYR A 75 -7.849 7.204 3.287 1.00 0.45 C ATOM 1123 OH TYR A 75 -8.081 8.455 2.741 1.00 0.53 O ATOM 0 H TYR A 75 -6.475 1.078 5.792 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.621 2.950 6.150 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -6.314 3.706 6.169 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -6.009 2.994 4.597 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.650 5.802 6.359 1.00 0.41 H new ATOM 0 HD2 TYR A 75 -6.708 4.152 2.543 1.00 0.36 H new ATOM 0 HE1 TYR A 75 -8.163 7.960 5.299 1.00 0.47 H new ATOM 0 HE2 TYR A 75 -7.243 6.299 1.484 1.00 0.42 H new ATOM 0 HH TYR A 75 -9.026 8.690 2.852 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.155 1.422 3.281 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.732 1.154 1.987 1.00 0.23 C ATOM 1135 C ILE A 76 -10.076 0.505 2.150 1.00 0.24 C ATOM 1136 O ILE A 76 -11.005 0.865 1.482 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.805 0.275 1.116 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.449 0.964 0.940 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.445 0.023 -0.248 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.414 0.136 0.214 1.00 0.25 C ATOM 0 H ILE A 76 -7.318 0.877 3.487 1.00 0.22 H new ATOM 0 HA ILE A 76 -8.854 2.106 1.470 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.656 -0.683 1.615 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.598 1.896 0.395 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.060 1.228 1.923 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.782 -0.597 -0.852 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.398 -0.488 -0.114 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.612 0.974 -0.753 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.486 0.702 0.135 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.231 -0.785 0.767 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.777 -0.107 -0.785 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.178 -0.423 3.079 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.436 -1.110 3.355 1.00 0.29 C ATOM 1154 C LEU A 77 -12.463 -0.124 3.911 1.00 0.34 C ATOM 1155 O LEU A 77 -13.668 -0.306 3.754 1.00 0.43 O ATOM 1156 CB LEU A 77 -11.226 -2.252 4.346 1.00 0.30 C ATOM 1157 CG LEU A 77 -12.430 -3.161 4.563 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.726 -3.988 3.328 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -12.243 -4.027 5.778 1.00 1.15 C ATOM 0 H LEU A 77 -9.400 -0.726 3.665 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.808 -1.528 2.419 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -10.390 -2.861 4.001 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.935 -1.827 5.307 1.00 0.30 H new ATOM 0 HG LEU A 77 -13.298 -2.527 4.743 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -13.590 -4.625 3.515 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.939 -3.326 2.489 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.862 -4.609 3.090 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -13.117 -4.665 5.908 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -11.357 -4.648 5.649 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -12.119 -3.397 6.659 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.965 0.928 4.505 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.821 1.969 5.083 1.00 0.39 C ATOM 1173 C ASP A 78 -13.229 2.980 4.012 1.00 0.41 C ATOM 1174 O ASP A 78 -14.378 3.400 3.933 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.090 2.700 6.223 1.00 0.45 C ATOM 1176 CG ASP A 78 -12.939 3.775 6.883 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -12.974 4.925 6.396 1.00 0.64 O ATOM 1178 OD2 ASP A 78 -13.575 3.491 7.913 1.00 0.67 O ATOM 0 H ASP A 78 -10.965 1.101 4.609 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.714 1.488 5.482 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -11.785 1.973 6.976 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.180 3.154 5.831 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.278 3.332 3.180 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.446 4.346 2.142 1.00 0.43 C ATOM 1185 C HIS A 79 -12.908 3.745 0.819 1.00 0.51 C ATOM 1186 O HIS A 79 -12.933 4.445 -0.194 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.141 5.112 1.932 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.272 6.592 2.116 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.287 7.485 1.075 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -11.360 7.333 3.241 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -11.372 8.709 1.550 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -11.420 8.643 2.863 1.00 1.52 N ATOM 0 H HIS A 79 -11.345 2.920 3.198 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.222 5.030 2.485 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.393 4.734 2.628 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -10.771 4.912 0.926 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -11.379 6.958 4.254 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.398 9.614 0.962 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -11.491 9.440 3.495 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.196 2.438 0.839 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.687 1.655 -0.312 1.00 0.55 C ATOM 1203 C GLN A 80 -14.622 2.400 -1.246 1.00 0.62 C ATOM 1204 O GLN A 80 -15.534 3.135 -0.811 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.396 0.401 0.171 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.487 -0.701 0.615 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.590 -1.182 -0.483 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -11.423 -1.616 -0.122 1.00 0.57 O flip ATOM 1209 NE2 GLN A 80 -12.953 -1.154 -1.651 1.00 0.51 N flip ATOM 0 H GLN A 80 -13.092 1.874 1.682 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.791 1.421 -0.887 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.052 0.668 0.999 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -15.032 0.028 -0.632 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -12.879 -0.352 1.450 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.085 -1.535 0.983 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -13.881 -0.804 -1.888 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -12.328 -1.481 -2.387 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.395 2.189 -2.515 1.00 0.68 N ATOM 1219 CA ALA A 81 -15.181 2.750 -3.556 1.00 0.96 C ATOM 1220 C ALA A 81 -15.599 1.619 -4.473 1.00 1.47 C ATOM 1221 O ALA A 81 -14.896 1.357 -5.463 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.386 3.804 -4.315 1.00 1.11 C ATOM 1223 OXT ALA A 81 -16.595 0.937 -4.148 1.00 2.36 O ATOM 0 H ALA A 81 -13.632 1.602 -2.852 1.00 0.68 H new ATOM 0 HA ALA A 81 -16.062 3.245 -3.148 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -15.004 4.224 -5.109 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -14.087 4.598 -3.630 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -13.497 3.346 -4.750 1.00 1.11 H new