USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 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 Set 1.1: A 4 GLN : amide:sc= 0.407 X(o=1.8,f=1.6) USER MOD Set 1.2: A 73 THR OG1 : rot -86:sc= 1.36 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 16 ASN : amide:sc= 1.14 K(o=1.1,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.05) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= 0.883 (180deg=0.0224) USER MOD Single : A 31 SER OG : rot -83:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 40 SER OG : rot 180:sc= -1.61! USER MOD Single : A 42 SER OG : rot 180:sc= 0.00241 USER MOD Single : A 43 MET CE :methyl -132:sc= -0.942 (180deg=-1.83) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.18) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0937) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -64:sc= 1.19 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc=-0.00596 (180deg=-0.14) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.0923 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.812 9.944 -2.527 1.00 1.12 N ATOM 14 CA ALA A 2 8.443 10.281 -2.200 1.00 0.91 C ATOM 15 C ALA A 2 8.227 10.194 -0.719 1.00 0.87 C ATOM 16 O ALA A 2 8.695 9.252 -0.072 1.00 1.07 O ATOM 17 CB ALA A 2 7.472 9.354 -2.896 1.00 0.92 C ATOM 0 HA ALA A 2 8.263 11.301 -2.540 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.451 9.631 -2.632 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.602 9.435 -3.975 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.662 8.327 -2.583 1.00 0.92 H new ATOM 23 N THR A 3 7.526 11.139 -0.180 1.00 0.76 N ATOM 24 CA THR A 3 7.253 11.131 1.221 1.00 0.76 C ATOM 25 C THR A 3 6.133 10.207 1.546 1.00 0.56 C ATOM 26 O THR A 3 5.440 9.762 0.667 1.00 0.48 O ATOM 27 CB THR A 3 7.034 12.554 1.841 1.00 0.97 C ATOM 28 OG1 THR A 3 6.833 12.496 3.246 1.00 1.45 O ATOM 29 CG2 THR A 3 5.883 13.303 1.197 1.00 1.57 C ATOM 0 H THR A 3 7.131 11.929 -0.691 1.00 0.76 H new ATOM 0 HA THR A 3 8.159 10.753 1.696 1.00 0.76 H new ATOM 0 HB THR A 3 7.953 13.103 1.637 1.00 0.97 H new ATOM 0 HG1 THR A 3 6.702 13.402 3.595 1.00 1.45 H new ATOM 0 HG21 THR A 3 5.778 14.281 1.666 1.00 1.57 H new ATOM 0 HG22 THR A 3 6.082 13.430 0.133 1.00 1.57 H new ATOM 0 HG23 THR A 3 4.961 12.737 1.329 1.00 1.57 H new ATOM 37 N GLN A 4 5.925 9.988 2.831 1.00 0.58 N ATOM 38 CA GLN A 4 4.888 9.142 3.345 1.00 0.52 C ATOM 39 C GLN A 4 3.537 9.627 2.854 1.00 0.49 C ATOM 40 O GLN A 4 2.639 8.830 2.614 1.00 0.51 O ATOM 41 CB GLN A 4 4.973 9.111 4.882 1.00 0.65 C ATOM 42 CG GLN A 4 3.801 8.457 5.582 1.00 1.14 C ATOM 43 CD GLN A 4 4.014 8.308 7.072 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.729 9.217 7.852 1.00 1.64 O ATOM 45 NE2 GLN A 4 4.415 7.139 7.497 1.00 1.76 N ATOM 0 H GLN A 4 6.497 10.412 3.561 1.00 0.58 H new ATOM 0 HA GLN A 4 5.016 8.122 2.983 1.00 0.52 H new ATOM 0 HB2 GLN A 4 5.885 8.587 5.168 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.067 10.135 5.245 1.00 0.65 H new ATOM 0 HG2 GLN A 4 2.903 9.049 5.406 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.626 7.474 5.145 1.00 1.14 H new ATOM 0 HE21 GLN A 4 4.644 6.404 6.828 1.00 1.76 H new ATOM 0 HE22 GLN A 4 4.499 6.961 8.498 1.00 1.76 H new ATOM 54 N GLU A 5 3.443 10.929 2.600 1.00 0.53 N ATOM 55 CA GLU A 5 2.193 11.493 2.112 1.00 0.58 C ATOM 56 C GLU A 5 1.979 11.056 0.657 1.00 0.53 C ATOM 57 O GLU A 5 0.929 10.521 0.294 1.00 0.60 O ATOM 58 CB GLU A 5 2.219 13.012 2.212 1.00 0.72 C ATOM 59 CG GLU A 5 0.905 13.673 1.861 1.00 1.48 C ATOM 60 CD GLU A 5 1.017 15.163 1.844 1.00 2.18 C ATOM 61 OE1 GLU A 5 1.164 15.770 2.916 1.00 2.49 O ATOM 62 OE2 GLU A 5 0.967 15.763 0.763 1.00 3.05 O ATOM 0 H GLU A 5 4.202 11.600 2.721 1.00 0.53 H new ATOM 0 HA GLU A 5 1.369 11.129 2.725 1.00 0.58 H new ATOM 0 HB2 GLU A 5 2.496 13.295 3.228 1.00 0.72 H new ATOM 0 HB3 GLU A 5 2.996 13.396 1.551 1.00 0.72 H new ATOM 0 HG2 GLU A 5 0.572 13.323 0.884 1.00 1.48 H new ATOM 0 HG3 GLU A 5 0.144 13.374 2.582 1.00 1.48 H new ATOM 69 N GLU A 6 3.022 11.233 -0.137 1.00 0.50 N ATOM 70 CA GLU A 6 3.032 10.879 -1.541 1.00 0.50 C ATOM 71 C GLU A 6 2.908 9.376 -1.694 1.00 0.42 C ATOM 72 O GLU A 6 2.261 8.896 -2.622 1.00 0.43 O ATOM 73 CB GLU A 6 4.336 11.337 -2.182 1.00 0.59 C ATOM 74 CG GLU A 6 4.606 12.822 -2.093 1.00 1.06 C ATOM 75 CD GLU A 6 5.947 13.179 -2.679 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.984 12.984 -2.012 1.00 2.53 O ATOM 77 OE2 GLU A 6 5.992 13.658 -3.807 1.00 2.16 O ATOM 0 H GLU A 6 3.902 11.635 0.186 1.00 0.50 H new ATOM 0 HA GLU A 6 2.191 11.368 -2.032 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.162 10.804 -1.710 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.328 11.047 -3.233 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.822 13.367 -2.619 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.569 13.137 -1.050 1.00 1.06 H new ATOM 84 N ILE A 7 3.529 8.642 -0.760 1.00 0.36 N ATOM 85 CA ILE A 7 3.490 7.210 -0.766 1.00 0.33 C ATOM 86 C ILE A 7 2.028 6.733 -0.680 1.00 0.30 C ATOM 87 O ILE A 7 1.549 6.009 -1.547 1.00 0.30 O ATOM 88 CB ILE A 7 4.315 6.563 0.398 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.816 6.858 0.244 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.096 5.055 0.420 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.423 6.363 -1.055 1.00 0.45 C ATOM 0 H ILE A 7 4.065 9.042 0.010 1.00 0.36 H new ATOM 0 HA ILE A 7 3.950 6.888 -1.700 1.00 0.33 H new ATOM 0 HB ILE A 7 3.969 6.998 1.336 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.971 7.934 0.316 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.351 6.402 1.077 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.674 4.615 1.233 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.038 4.843 0.571 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.420 4.626 -0.529 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.484 6.613 -1.080 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.304 5.282 -1.124 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.919 6.838 -1.897 1.00 0.45 H new ATOM 103 N VAL A 8 1.326 7.174 0.377 1.00 0.31 N ATOM 104 CA VAL A 8 -0.087 6.813 0.595 1.00 0.35 C ATOM 105 C VAL A 8 -0.933 7.200 -0.623 1.00 0.34 C ATOM 106 O VAL A 8 -1.725 6.388 -1.128 1.00 0.36 O ATOM 107 CB VAL A 8 -0.661 7.509 1.862 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.118 7.174 2.041 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.085 7.076 3.092 1.00 0.49 C ATOM 0 H VAL A 8 1.715 7.783 1.097 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.130 5.734 0.741 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.547 8.584 1.724 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.499 7.671 2.933 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.679 7.512 1.170 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.233 6.096 2.150 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.333 7.575 3.966 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.007 5.997 3.212 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.137 7.342 2.992 1.00 0.49 H new ATOM 119 N ALA A 9 -0.748 8.430 -1.092 1.00 0.37 N ATOM 120 CA ALA A 9 -1.457 8.937 -2.261 1.00 0.41 C ATOM 121 C ALA A 9 -1.233 8.038 -3.483 1.00 0.37 C ATOM 122 O ALA A 9 -2.163 7.778 -4.246 1.00 0.43 O ATOM 123 CB ALA A 9 -1.023 10.361 -2.564 1.00 0.48 C ATOM 0 H ALA A 9 -0.104 9.101 -0.674 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.523 8.933 -2.035 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.560 10.727 -3.439 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.246 10.999 -1.709 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.049 10.380 -2.762 1.00 0.48 H new ATOM 129 N GLY A 10 -0.012 7.533 -3.630 1.00 0.33 N ATOM 130 CA GLY A 10 0.320 6.661 -4.742 1.00 0.34 C ATOM 131 C GLY A 10 -0.364 5.321 -4.605 1.00 0.31 C ATOM 132 O GLY A 10 -0.856 4.761 -5.579 1.00 0.37 O ATOM 0 H GLY A 10 0.761 7.715 -2.991 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.021 7.131 -5.679 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.400 6.519 -4.787 1.00 0.34 H new ATOM 136 N LEU A 11 -0.411 4.823 -3.373 1.00 0.26 N ATOM 137 CA LEU A 11 -1.065 3.556 -3.053 1.00 0.25 C ATOM 138 C LEU A 11 -2.523 3.608 -3.463 1.00 0.23 C ATOM 139 O LEU A 11 -3.038 2.702 -4.135 1.00 0.24 O ATOM 140 CB LEU A 11 -0.974 3.270 -1.544 1.00 0.28 C ATOM 141 CG LEU A 11 0.423 3.033 -0.968 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.358 2.953 0.550 1.00 0.33 C ATOM 143 CD2 LEU A 11 1.014 1.750 -1.527 1.00 0.32 C ATOM 0 H LEU A 11 0.004 5.287 -2.565 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.559 2.760 -3.599 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.423 4.109 -1.012 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.584 2.393 -1.328 1.00 0.28 H new ATOM 0 HG LEU A 11 1.062 3.869 -1.253 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.358 2.784 0.949 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.038 3.888 0.947 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.293 2.130 0.843 1.00 0.33 H new ATOM 0 HD21 LEU A 11 2.008 1.595 -1.108 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.373 0.909 -1.263 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.085 1.825 -2.612 1.00 0.32 H new ATOM 155 N ALA A 12 -3.164 4.707 -3.107 1.00 0.23 N ATOM 156 CA ALA A 12 -4.568 4.916 -3.377 1.00 0.23 C ATOM 157 C ALA A 12 -4.877 4.966 -4.865 1.00 0.21 C ATOM 158 O ALA A 12 -5.997 4.688 -5.266 1.00 0.24 O ATOM 159 CB ALA A 12 -5.057 6.167 -2.700 1.00 0.28 C ATOM 0 H ALA A 12 -2.718 5.483 -2.619 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.098 4.055 -2.969 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.116 6.307 -2.915 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.914 6.077 -1.623 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.495 7.024 -3.070 1.00 0.28 H new ATOM 165 N GLU A 13 -3.885 5.300 -5.683 1.00 0.24 N ATOM 166 CA GLU A 13 -4.081 5.350 -7.126 1.00 0.29 C ATOM 167 C GLU A 13 -4.397 3.969 -7.645 1.00 0.28 C ATOM 168 O GLU A 13 -5.371 3.772 -8.375 1.00 0.37 O ATOM 169 CB GLU A 13 -2.859 5.914 -7.844 1.00 0.42 C ATOM 170 CG GLU A 13 -2.467 7.299 -7.390 1.00 0.94 C ATOM 171 CD GLU A 13 -1.321 7.861 -8.179 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.161 7.483 -7.904 1.00 2.48 O ATOM 173 OE2 GLU A 13 -1.540 8.704 -9.067 1.00 1.55 O ATOM 0 H GLU A 13 -2.943 5.539 -5.374 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.918 6.018 -7.328 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.016 5.240 -7.690 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.058 5.936 -8.915 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -3.326 7.964 -7.480 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.197 7.269 -6.335 1.00 0.94 H new ATOM 180 N ILE A 14 -3.621 2.996 -7.224 1.00 0.24 N ATOM 181 CA ILE A 14 -3.867 1.661 -7.662 1.00 0.28 C ATOM 182 C ILE A 14 -5.029 1.056 -6.848 1.00 0.25 C ATOM 183 O ILE A 14 -5.819 0.292 -7.363 1.00 0.32 O ATOM 184 CB ILE A 14 -2.603 0.717 -7.670 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.437 1.282 -8.521 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.974 -0.657 -8.201 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.647 2.405 -7.878 1.00 0.44 C ATOM 0 H ILE A 14 -2.830 3.110 -6.590 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.146 1.730 -8.713 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.264 0.650 -6.636 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.752 0.467 -8.755 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.841 1.641 -9.468 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.092 -1.297 -8.201 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.742 -1.097 -7.566 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.354 -0.563 -9.218 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.144 2.728 -8.555 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.311 3.244 -7.670 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.205 2.052 -6.946 1.00 0.44 H new ATOM 199 N VAL A 15 -5.188 1.470 -5.590 1.00 0.22 N ATOM 200 CA VAL A 15 -6.327 0.986 -4.800 1.00 0.22 C ATOM 201 C VAL A 15 -7.669 1.498 -5.404 1.00 0.22 C ATOM 202 O VAL A 15 -8.724 0.878 -5.247 1.00 0.25 O ATOM 203 CB VAL A 15 -6.222 1.290 -3.254 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.428 0.755 -2.499 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.979 0.659 -2.659 1.00 0.34 C ATOM 0 H VAL A 15 -4.566 2.118 -5.106 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.303 -0.102 -4.868 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.177 2.374 -3.153 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.323 0.982 -1.438 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.334 1.224 -2.882 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.493 -0.325 -2.635 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.931 0.884 -1.594 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.016 -0.421 -2.801 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.095 1.060 -3.154 1.00 0.34 H new ATOM 215 N ASN A 16 -7.602 2.594 -6.146 1.00 0.24 N ATOM 216 CA ASN A 16 -8.770 3.138 -6.844 1.00 0.30 C ATOM 217 C ASN A 16 -9.185 2.201 -7.976 1.00 0.34 C ATOM 218 O ASN A 16 -10.366 1.959 -8.193 1.00 0.43 O ATOM 219 CB ASN A 16 -8.480 4.536 -7.419 1.00 0.37 C ATOM 220 CG ASN A 16 -9.712 5.174 -8.059 1.00 0.50 C ATOM 221 OD1 ASN A 16 -10.006 4.965 -9.233 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.424 5.955 -7.302 1.00 0.48 N ATOM 0 H ASN A 16 -6.746 3.131 -6.284 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.580 3.225 -6.119 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.112 5.183 -6.623 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.686 4.462 -8.162 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.253 6.414 -7.680 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.154 6.109 -6.331 1.00 0.48 H new ATOM 229 N GLU A 17 -8.211 1.653 -8.674 1.00 0.37 N ATOM 230 CA GLU A 17 -8.509 0.743 -9.776 1.00 0.48 C ATOM 231 C GLU A 17 -8.815 -0.672 -9.257 1.00 0.47 C ATOM 232 O GLU A 17 -9.580 -1.414 -9.869 1.00 0.60 O ATOM 233 CB GLU A 17 -7.387 0.738 -10.840 1.00 0.63 C ATOM 234 CG GLU A 17 -6.030 0.288 -10.335 1.00 1.05 C ATOM 235 CD GLU A 17 -4.944 0.386 -11.369 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.335 1.459 -11.515 1.00 1.70 O ATOM 237 OE2 GLU A 17 -4.672 -0.619 -12.056 1.00 2.11 O ATOM 0 H GLU A 17 -7.218 1.815 -8.506 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.407 1.111 -10.273 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.687 0.086 -11.661 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -7.291 1.743 -11.250 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.754 0.892 -9.471 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.103 -0.744 -9.992 1.00 1.05 H new ATOM 244 N ILE A 18 -8.232 -1.027 -8.119 1.00 0.39 N ATOM 245 CA ILE A 18 -8.470 -2.334 -7.515 1.00 0.43 C ATOM 246 C ILE A 18 -9.836 -2.362 -6.839 1.00 0.44 C ATOM 247 O ILE A 18 -10.668 -3.219 -7.132 1.00 0.53 O ATOM 248 CB ILE A 18 -7.378 -2.653 -6.439 1.00 0.44 C ATOM 249 CG1 ILE A 18 -5.985 -2.706 -7.066 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.678 -3.949 -5.691 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.825 -3.741 -8.164 1.00 0.71 C ATOM 0 H ILE A 18 -7.592 -0.430 -7.596 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.431 -3.080 -8.309 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.399 -1.840 -5.713 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.747 -1.724 -7.474 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.256 -2.911 -6.282 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -6.896 -4.133 -4.954 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.640 -3.863 -5.186 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.712 -4.778 -6.398 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.806 -3.707 -8.550 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.028 -4.733 -7.761 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.526 -3.527 -8.971 1.00 0.71 H new ATOM 263 N ALA A 19 -10.068 -1.416 -5.970 1.00 0.40 N ATOM 264 CA ALA A 19 -11.274 -1.397 -5.196 1.00 0.46 C ATOM 265 C ALA A 19 -12.174 -0.261 -5.620 1.00 0.45 C ATOM 266 O ALA A 19 -13.321 -0.480 -6.026 1.00 0.68 O ATOM 267 CB ALA A 19 -10.939 -1.303 -3.718 1.00 0.52 C ATOM 0 H ALA A 19 -9.430 -0.643 -5.781 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.815 -2.327 -5.373 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.861 -1.289 -3.136 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.338 -2.164 -3.426 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.377 -0.388 -3.530 1.00 0.52 H new ATOM 273 N GLY A 20 -11.658 0.931 -5.566 1.00 0.44 N ATOM 274 CA GLY A 20 -12.463 2.078 -5.899 1.00 0.46 C ATOM 275 C GLY A 20 -12.695 2.958 -4.707 1.00 0.52 C ATOM 276 O GLY A 20 -13.732 2.882 -4.054 1.00 0.93 O ATOM 0 H GLY A 20 -10.696 1.138 -5.298 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.971 2.652 -6.685 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.421 1.746 -6.299 1.00 0.46 H new ATOM 280 N ILE A 21 -11.718 3.761 -4.406 1.00 0.38 N ATOM 281 CA ILE A 21 -11.772 4.709 -3.312 1.00 0.39 C ATOM 282 C ILE A 21 -11.139 6.013 -3.749 1.00 0.43 C ATOM 283 O ILE A 21 -10.269 6.001 -4.622 1.00 0.50 O ATOM 284 CB ILE A 21 -11.077 4.170 -1.999 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.791 3.352 -2.282 1.00 0.41 C ATOM 286 CG2 ILE A 21 -12.042 3.384 -1.128 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.609 4.137 -2.831 1.00 0.43 C ATOM 0 H ILE A 21 -10.838 3.782 -4.921 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.821 4.866 -3.062 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.768 5.056 -1.445 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.481 2.867 -1.356 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -10.036 2.560 -2.990 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.523 3.032 -0.236 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.873 4.026 -0.835 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.423 2.529 -1.687 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.767 3.463 -2.990 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.888 4.600 -3.778 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.324 4.911 -2.119 1.00 0.43 H new ATOM 299 N PRO A 22 -11.576 7.148 -3.208 1.00 0.52 N ATOM 300 CA PRO A 22 -10.962 8.425 -3.515 1.00 0.60 C ATOM 301 C PRO A 22 -9.535 8.436 -3.005 1.00 0.55 C ATOM 302 O PRO A 22 -9.256 7.932 -1.907 1.00 0.52 O ATOM 303 CB PRO A 22 -11.807 9.448 -2.739 1.00 0.74 C ATOM 304 CG PRO A 22 -13.063 8.733 -2.403 1.00 0.75 C ATOM 305 CD PRO A 22 -12.693 7.285 -2.272 1.00 0.63 C ATOM 0 HA PRO A 22 -10.930 8.636 -4.584 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.292 9.784 -1.839 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.006 10.334 -3.342 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.491 9.112 -1.475 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -13.813 8.875 -3.181 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.399 7.033 -1.253 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.524 6.630 -2.535 1.00 0.63 H new ATOM 313 N VAL A 23 -8.645 9.025 -3.756 1.00 0.62 N ATOM 314 CA VAL A 23 -7.226 9.051 -3.403 1.00 0.65 C ATOM 315 C VAL A 23 -6.903 9.984 -2.225 1.00 0.73 C ATOM 316 O VAL A 23 -5.753 10.164 -1.858 1.00 1.02 O ATOM 317 CB VAL A 23 -6.321 9.362 -4.615 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.469 8.274 -5.667 1.00 1.48 C ATOM 319 CG2 VAL A 23 -6.660 10.724 -5.208 1.00 1.35 C ATOM 0 H VAL A 23 -8.868 9.503 -4.629 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.003 8.037 -3.070 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.285 9.388 -4.276 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -5.827 8.501 -6.518 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.179 7.314 -5.240 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.507 8.226 -5.997 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.010 10.922 -6.060 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -7.700 10.730 -5.535 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -6.513 11.496 -4.453 1.00 1.35 H new ATOM 329 N GLU A 24 -7.941 10.511 -1.615 1.00 0.66 N ATOM 330 CA GLU A 24 -7.816 11.341 -0.449 1.00 0.76 C ATOM 331 C GLU A 24 -8.422 10.620 0.759 1.00 0.69 C ATOM 332 O GLU A 24 -8.252 11.041 1.901 1.00 0.80 O ATOM 333 CB GLU A 24 -8.524 12.680 -0.675 1.00 0.99 C ATOM 334 CG GLU A 24 -10.003 12.551 -1.018 1.00 1.22 C ATOM 335 CD GLU A 24 -10.691 13.881 -1.095 1.00 1.54 C ATOM 336 OE1 GLU A 24 -10.973 14.474 -0.036 1.00 2.03 O ATOM 337 OE2 GLU A 24 -10.989 14.361 -2.202 1.00 1.89 O ATOM 0 H GLU A 24 -8.904 10.371 -1.922 1.00 0.66 H new ATOM 0 HA GLU A 24 -6.761 11.535 -0.259 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -8.422 13.289 0.223 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -8.020 13.214 -1.481 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.108 12.035 -1.972 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -10.495 11.934 -0.266 1.00 1.22 H new ATOM 344 N ASP A 25 -9.119 9.514 0.496 1.00 0.60 N ATOM 345 CA ASP A 25 -9.801 8.751 1.554 1.00 0.64 C ATOM 346 C ASP A 25 -8.790 7.949 2.331 1.00 0.55 C ATOM 347 O ASP A 25 -8.899 7.766 3.556 1.00 0.58 O ATOM 348 CB ASP A 25 -10.849 7.805 0.958 1.00 0.72 C ATOM 349 CG ASP A 25 -11.572 6.997 2.016 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.584 7.488 2.570 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.157 5.870 2.311 1.00 0.98 O ATOM 0 H ASP A 25 -9.229 9.123 -0.439 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.304 9.456 2.215 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.576 8.385 0.389 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.364 7.127 0.256 1.00 0.72 H new ATOM 356 N VAL A 26 -7.792 7.510 1.618 1.00 0.51 N ATOM 357 CA VAL A 26 -6.732 6.723 2.170 1.00 0.47 C ATOM 358 C VAL A 26 -5.769 7.652 2.880 1.00 0.47 C ATOM 359 O VAL A 26 -4.948 8.302 2.261 1.00 0.51 O ATOM 360 CB VAL A 26 -5.988 5.941 1.057 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.974 4.975 1.653 1.00 0.73 C ATOM 362 CG2 VAL A 26 -6.975 5.196 0.181 1.00 0.70 C ATOM 0 H VAL A 26 -7.693 7.694 0.620 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.145 5.997 2.870 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.449 6.661 0.441 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.466 4.439 0.851 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.242 5.531 2.238 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.487 4.261 2.298 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.435 4.653 -0.595 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.542 4.492 0.790 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.659 5.907 -0.283 1.00 0.70 H new ATOM 372 N LYS A 27 -6.004 7.826 4.143 1.00 0.49 N ATOM 373 CA LYS A 27 -5.141 8.597 4.990 1.00 0.54 C ATOM 374 C LYS A 27 -4.253 7.633 5.764 1.00 0.47 C ATOM 375 O LYS A 27 -4.380 6.433 5.580 1.00 0.51 O ATOM 376 CB LYS A 27 -5.969 9.490 5.905 1.00 0.65 C ATOM 377 CG LYS A 27 -6.753 10.551 5.150 1.00 0.83 C ATOM 378 CD LYS A 27 -7.619 11.370 6.079 1.00 1.53 C ATOM 379 CE LYS A 27 -8.322 12.500 5.342 1.00 2.02 C ATOM 380 NZ LYS A 27 -9.190 12.012 4.252 1.00 2.83 N ATOM 0 H LYS A 27 -6.812 7.432 4.624 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.505 9.259 4.403 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.662 8.872 6.476 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -5.309 9.976 6.623 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.062 11.208 4.622 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.378 10.074 4.395 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -8.361 10.724 6.548 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -7.005 11.784 6.879 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -8.921 13.073 6.050 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -7.576 13.180 4.931 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -9.865 12.757 3.986 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -8.606 11.764 3.428 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -9.711 11.171 4.573 1.00 2.83 H new ATOM 394 N LEU A 28 -3.406 8.139 6.639 1.00 0.49 N ATOM 395 CA LEU A 28 -2.382 7.316 7.312 1.00 0.47 C ATOM 396 C LEU A 28 -2.919 6.166 8.152 1.00 0.50 C ATOM 397 O LEU A 28 -2.375 5.047 8.101 1.00 0.56 O ATOM 398 CB LEU A 28 -1.386 8.162 8.128 1.00 0.54 C ATOM 399 CG LEU A 28 -0.268 8.862 7.342 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.525 7.843 6.557 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.801 9.963 6.429 1.00 0.99 C ATOM 0 H LEU A 28 -3.396 9.122 6.912 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.851 6.850 6.482 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.949 8.923 8.669 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.924 7.517 8.875 1.00 0.54 H new ATOM 0 HG LEU A 28 0.389 9.348 8.063 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.316 8.347 6.002 1.00 1.07 H new ATOM 0 HD12 LEU A 28 0.967 7.119 7.242 1.00 1.07 H new ATOM 0 HD13 LEU A 28 -0.135 7.327 5.860 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.029 10.427 5.896 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.499 9.534 5.711 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.314 10.716 7.028 1.00 0.99 H new ATOM 413 N ASP A 29 -3.962 6.380 8.897 1.00 0.56 N ATOM 414 CA ASP A 29 -4.443 5.302 9.717 1.00 0.65 C ATOM 415 C ASP A 29 -5.625 4.618 9.063 1.00 0.61 C ATOM 416 O ASP A 29 -6.768 4.719 9.501 1.00 1.03 O ATOM 417 CB ASP A 29 -4.722 5.732 11.158 1.00 0.87 C ATOM 418 CG ASP A 29 -4.917 4.551 12.084 1.00 1.73 C ATOM 419 OD1 ASP A 29 -3.931 3.841 12.380 1.00 2.34 O ATOM 420 OD2 ASP A 29 -6.055 4.310 12.542 1.00 2.47 O ATOM 0 H ASP A 29 -4.482 7.255 8.957 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.644 4.565 9.794 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -3.894 6.341 11.520 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.613 6.360 11.181 1.00 0.87 H new ATOM 425 N LYS A 30 -5.335 4.028 7.930 1.00 0.43 N ATOM 426 CA LYS A 30 -6.265 3.259 7.140 1.00 0.39 C ATOM 427 C LYS A 30 -5.575 1.951 6.763 1.00 0.38 C ATOM 428 O LYS A 30 -4.471 1.968 6.227 1.00 0.57 O ATOM 429 CB LYS A 30 -6.640 4.027 5.848 1.00 0.44 C ATOM 430 CG LYS A 30 -7.392 5.353 6.057 1.00 0.51 C ATOM 431 CD LYS A 30 -8.894 5.174 6.318 1.00 0.75 C ATOM 432 CE LYS A 30 -9.608 4.598 5.091 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.078 4.518 5.248 1.00 1.06 N ATOM 0 H LYS A 30 -4.404 4.072 7.515 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.177 3.076 7.709 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.726 4.232 5.291 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.254 3.376 5.225 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.947 5.885 6.898 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.257 5.980 5.176 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.041 4.511 7.171 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.337 6.135 6.581 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.376 5.215 4.223 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.217 3.601 4.888 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.363 3.522 5.343 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.365 5.043 6.098 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.539 4.932 4.413 1.00 1.06 H new ATOM 447 N SER A 31 -6.172 0.846 7.106 1.00 0.46 N ATOM 448 CA SER A 31 -5.654 -0.446 6.761 1.00 0.44 C ATOM 449 C SER A 31 -6.330 -0.927 5.502 1.00 0.45 C ATOM 450 O SER A 31 -7.466 -0.534 5.230 1.00 0.57 O ATOM 451 CB SER A 31 -5.887 -1.411 7.912 1.00 0.49 C ATOM 452 OG SER A 31 -7.265 -1.436 8.274 1.00 1.31 O ATOM 0 H SER A 31 -7.041 0.817 7.639 1.00 0.46 H new ATOM 0 HA SER A 31 -4.581 -0.387 6.580 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.562 -2.412 7.626 1.00 0.49 H new ATOM 0 HB3 SER A 31 -5.285 -1.114 8.771 1.00 0.49 H new ATOM 0 HG SER A 31 -7.457 -0.692 8.882 1.00 1.31 H new ATOM 458 N PHE A 32 -5.679 -1.825 4.786 1.00 0.41 N ATOM 459 CA PHE A 32 -6.118 -2.313 3.468 1.00 0.46 C ATOM 460 C PHE A 32 -7.291 -3.290 3.551 1.00 0.55 C ATOM 461 O PHE A 32 -7.475 -4.114 2.661 1.00 1.03 O ATOM 462 CB PHE A 32 -4.930 -2.981 2.772 1.00 0.51 C ATOM 463 CG PHE A 32 -3.763 -2.057 2.511 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.681 -1.338 1.328 1.00 0.55 C ATOM 465 CD2 PHE A 32 -2.741 -1.924 3.440 1.00 0.52 C ATOM 466 CE1 PHE A 32 -2.609 -0.504 1.079 1.00 0.59 C ATOM 467 CE2 PHE A 32 -1.668 -1.093 3.196 1.00 0.58 C ATOM 468 CZ PHE A 32 -1.600 -0.384 2.013 1.00 0.60 C ATOM 0 H PHE A 32 -4.808 -2.253 5.102 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.472 -1.455 2.897 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.588 -3.816 3.384 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.267 -3.398 1.823 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -4.466 -1.432 0.592 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -2.786 -2.478 4.366 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -2.560 0.053 0.155 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -0.881 -0.997 3.930 1.00 0.58 H new ATOM 0 HZ PHE A 32 -0.758 0.264 1.819 1.00 0.60 H new ATOM 478 N THR A 33 -8.116 -3.154 4.577 1.00 0.47 N ATOM 479 CA THR A 33 -9.229 -4.049 4.757 1.00 0.50 C ATOM 480 C THR A 33 -10.243 -3.512 5.792 1.00 0.60 C ATOM 481 O THR A 33 -11.419 -3.336 5.478 1.00 1.13 O ATOM 482 CB THR A 33 -8.730 -5.505 5.107 1.00 0.65 C ATOM 483 OG1 THR A 33 -9.811 -6.404 5.350 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.774 -5.533 6.301 1.00 1.21 C ATOM 0 H THR A 33 -8.030 -2.432 5.292 1.00 0.47 H new ATOM 0 HA THR A 33 -9.764 -4.107 3.809 1.00 0.50 H new ATOM 0 HB THR A 33 -8.186 -5.837 4.223 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.456 -7.293 5.561 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.464 -6.560 6.495 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.897 -4.925 6.079 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.279 -5.134 7.181 1.00 1.21 H new ATOM 492 N ASP A 34 -9.792 -3.241 7.013 1.00 0.55 N ATOM 493 CA ASP A 34 -10.705 -2.824 8.071 1.00 0.60 C ATOM 494 C ASP A 34 -11.143 -1.387 7.882 1.00 0.58 C ATOM 495 O ASP A 34 -12.314 -1.051 8.054 1.00 0.75 O ATOM 496 CB ASP A 34 -10.076 -3.016 9.452 1.00 0.72 C ATOM 497 CG ASP A 34 -11.042 -2.694 10.573 1.00 1.46 C ATOM 498 OD1 ASP A 34 -11.893 -3.548 10.900 1.00 1.58 O ATOM 499 OD2 ASP A 34 -10.961 -1.588 11.151 1.00 2.31 O ATOM 0 H ASP A 34 -8.813 -3.302 7.292 1.00 0.55 H new ATOM 0 HA ASP A 34 -11.589 -3.459 8.009 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -9.735 -4.046 9.554 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.196 -2.379 9.540 1.00 0.72 H new ATOM 504 N ASP A 35 -10.214 -0.545 7.509 1.00 0.48 N ATOM 505 CA ASP A 35 -10.535 0.859 7.281 1.00 0.50 C ATOM 506 C ASP A 35 -10.911 1.078 5.851 1.00 0.56 C ATOM 507 O ASP A 35 -11.900 1.731 5.554 1.00 0.86 O ATOM 508 CB ASP A 35 -9.365 1.779 7.592 1.00 0.47 C ATOM 509 CG ASP A 35 -8.877 1.696 9.005 1.00 0.99 C ATOM 510 OD1 ASP A 35 -9.352 2.442 9.857 1.00 1.67 O ATOM 511 OD2 ASP A 35 -7.971 0.878 9.272 1.00 1.47 O ATOM 0 H ASP A 35 -9.237 -0.793 7.355 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.363 1.096 7.949 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.541 1.540 6.920 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.660 2.807 7.381 1.00 0.47 H new ATOM 516 N LEU A 36 -10.104 0.552 4.960 1.00 0.44 N ATOM 517 CA LEU A 36 -10.318 0.736 3.552 1.00 0.49 C ATOM 518 C LEU A 36 -11.490 -0.054 3.053 1.00 0.53 C ATOM 519 O LEU A 36 -11.863 -1.064 3.641 1.00 0.64 O ATOM 520 CB LEU A 36 -9.054 0.403 2.752 1.00 0.51 C ATOM 521 CG LEU A 36 -7.949 1.448 2.806 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.749 1.023 1.976 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.490 2.744 2.299 1.00 0.69 C ATOM 0 H LEU A 36 -9.286 -0.012 5.193 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.550 1.790 3.400 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.653 -0.543 3.116 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.335 0.250 1.710 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.614 1.558 3.838 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -5.976 1.790 2.034 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.356 0.082 2.360 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.053 0.892 0.937 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -7.708 3.503 2.332 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -8.831 2.619 1.271 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.327 3.058 2.923 1.00 0.69 H new ATOM 535 N ASP A 37 -12.051 0.392 1.959 1.00 0.63 N ATOM 536 CA ASP A 37 -13.172 -0.278 1.336 1.00 0.76 C ATOM 537 C ASP A 37 -12.606 -1.229 0.343 1.00 0.78 C ATOM 538 O ASP A 37 -12.615 -1.006 -0.861 1.00 1.33 O ATOM 539 CB ASP A 37 -14.167 0.700 0.675 1.00 1.14 C ATOM 540 CG ASP A 37 -15.385 0.009 0.064 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.244 -0.521 0.818 1.00 2.15 O ATOM 542 OD2 ASP A 37 -15.477 -0.079 -1.181 1.00 1.96 O ATOM 0 H ASP A 37 -11.745 1.233 1.470 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.755 -0.799 2.095 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -14.504 1.422 1.419 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -13.650 1.262 -0.103 1.00 1.14 H new ATOM 547 N VAL A 38 -11.948 -2.181 0.881 1.00 0.65 N ATOM 548 CA VAL A 38 -11.291 -3.210 0.150 1.00 0.96 C ATOM 549 C VAL A 38 -11.582 -4.498 0.861 1.00 0.89 C ATOM 550 O VAL A 38 -11.543 -4.525 2.100 1.00 1.43 O ATOM 551 CB VAL A 38 -9.729 -3.004 0.145 1.00 1.60 C ATOM 552 CG1 VAL A 38 -9.032 -4.072 -0.693 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.335 -1.618 -0.345 1.00 2.14 C ATOM 0 H VAL A 38 -11.843 -2.276 1.891 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.643 -3.205 -0.882 1.00 0.96 H new ATOM 0 HB VAL A 38 -9.400 -3.099 1.180 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.955 -3.902 -0.676 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -9.250 -5.057 -0.281 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.392 -4.020 -1.721 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.249 -1.522 -0.331 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.699 -1.475 -1.362 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.774 -0.863 0.307 1.00 2.14 H new ATOM 563 N ASP A 39 -11.994 -5.505 0.095 1.00 0.82 N ATOM 564 CA ASP A 39 -12.123 -6.894 0.579 1.00 1.15 C ATOM 565 C ASP A 39 -10.930 -7.213 1.453 1.00 1.18 C ATOM 566 O ASP A 39 -11.073 -7.305 2.670 1.00 2.04 O ATOM 567 CB ASP A 39 -12.191 -7.833 -0.639 1.00 1.60 C ATOM 568 CG ASP A 39 -11.992 -9.297 -0.320 1.00 2.37 C ATOM 569 OD1 ASP A 39 -12.956 -9.980 0.072 1.00 2.78 O ATOM 570 OD2 ASP A 39 -10.862 -9.795 -0.516 1.00 2.96 O ATOM 0 H ASP A 39 -12.251 -5.389 -0.885 1.00 0.82 H new ATOM 0 HA ASP A 39 -13.030 -7.025 1.169 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -13.160 -7.709 -1.123 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.433 -7.526 -1.360 1.00 1.60 H new ATOM 575 N SER A 40 -9.791 -7.351 0.793 1.00 0.85 N ATOM 576 CA SER A 40 -8.447 -7.416 1.358 1.00 0.86 C ATOM 577 C SER A 40 -7.582 -8.219 0.473 1.00 0.74 C ATOM 578 O SER A 40 -6.547 -7.768 0.086 1.00 0.81 O ATOM 579 CB SER A 40 -8.355 -7.985 2.739 1.00 1.19 C ATOM 580 OG SER A 40 -8.808 -9.346 2.775 1.00 1.18 O ATOM 0 H SER A 40 -9.778 -7.426 -0.224 1.00 0.85 H new ATOM 0 HA SER A 40 -8.125 -6.377 1.434 1.00 0.86 H new ATOM 0 HB2 SER A 40 -7.323 -7.934 3.087 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.953 -7.383 3.423 1.00 1.19 H new ATOM 0 HG SER A 40 -8.735 -9.691 3.689 1.00 1.18 H new ATOM 585 N LEU A 41 -8.059 -9.400 0.075 1.00 0.71 N ATOM 586 CA LEU A 41 -7.258 -10.309 -0.741 1.00 0.70 C ATOM 587 C LEU A 41 -6.947 -9.666 -2.084 1.00 0.65 C ATOM 588 O LEU A 41 -5.995 -10.014 -2.749 1.00 0.71 O ATOM 589 CB LEU A 41 -7.924 -11.696 -0.948 1.00 0.83 C ATOM 590 CG LEU A 41 -8.046 -12.635 0.279 1.00 1.01 C ATOM 591 CD1 LEU A 41 -9.100 -12.168 1.266 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.322 -14.063 -0.159 1.00 1.34 C ATOM 0 H LEU A 41 -8.991 -9.746 0.304 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.333 -10.490 -0.193 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.927 -11.530 -1.342 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.362 -12.224 -1.718 1.00 0.83 H new ATOM 0 HG LEU A 41 -7.087 -12.603 0.796 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -9.144 -12.861 2.106 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.843 -11.173 1.630 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -10.071 -12.134 0.772 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.404 -14.704 0.719 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.255 -14.097 -0.721 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.505 -14.414 -0.790 1.00 1.34 H new ATOM 604 N SER A 42 -7.760 -8.699 -2.438 1.00 0.65 N ATOM 605 CA SER A 42 -7.608 -7.909 -3.633 1.00 0.66 C ATOM 606 C SER A 42 -6.359 -6.981 -3.550 1.00 0.50 C ATOM 607 O SER A 42 -5.844 -6.526 -4.572 1.00 0.47 O ATOM 608 CB SER A 42 -8.871 -7.076 -3.789 1.00 0.84 C ATOM 609 OG SER A 42 -10.022 -7.905 -3.642 1.00 1.26 O ATOM 0 H SER A 42 -8.573 -8.433 -1.882 1.00 0.65 H new ATOM 0 HA SER A 42 -7.460 -8.564 -4.492 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.887 -6.281 -3.043 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.881 -6.595 -4.767 1.00 0.84 H new ATOM 0 HG SER A 42 -10.831 -7.362 -3.742 1.00 1.26 H new ATOM 615 N MET A 43 -5.865 -6.733 -2.329 1.00 0.45 N ATOM 616 CA MET A 43 -4.717 -5.853 -2.106 1.00 0.35 C ATOM 617 C MET A 43 -3.454 -6.467 -2.717 1.00 0.30 C ATOM 618 O MET A 43 -2.540 -5.766 -3.107 1.00 0.27 O ATOM 619 CB MET A 43 -4.549 -5.592 -0.591 1.00 0.39 C ATOM 620 CG MET A 43 -3.568 -4.485 -0.173 1.00 0.47 C ATOM 621 SD MET A 43 -1.812 -4.834 -0.438 1.00 0.97 S ATOM 622 CE MET A 43 -1.622 -6.362 0.466 1.00 0.54 C ATOM 0 H MET A 43 -6.250 -7.136 -1.475 1.00 0.45 H new ATOM 0 HA MET A 43 -4.888 -4.896 -2.598 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.529 -5.348 -0.180 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.229 -6.522 -0.122 1.00 0.39 H new ATOM 0 HG2 MET A 43 -3.823 -3.577 -0.719 1.00 0.47 H new ATOM 0 HG3 MET A 43 -3.720 -4.274 0.886 1.00 0.47 H new ATOM 0 HE1 MET A 43 -0.744 -6.298 1.109 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.508 -6.536 1.077 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.498 -7.187 -0.236 1.00 0.54 H new ATOM 632 N VAL A 44 -3.443 -7.768 -2.856 1.00 0.36 N ATOM 633 CA VAL A 44 -2.303 -8.471 -3.439 1.00 0.39 C ATOM 634 C VAL A 44 -1.991 -7.926 -4.862 1.00 0.37 C ATOM 635 O VAL A 44 -0.825 -7.802 -5.257 1.00 0.42 O ATOM 636 CB VAL A 44 -2.537 -10.006 -3.468 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.319 -10.744 -4.002 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.899 -10.508 -2.071 1.00 0.57 C ATOM 0 H VAL A 44 -4.212 -8.376 -2.574 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.436 -8.285 -2.805 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.367 -10.209 -4.144 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.517 -11.816 -4.009 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.106 -10.408 -5.017 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.460 -10.538 -3.364 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.061 -11.585 -2.102 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.085 -10.283 -1.381 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.809 -10.014 -1.731 1.00 0.57 H new ATOM 648 N GLU A 45 -3.033 -7.526 -5.580 1.00 0.37 N ATOM 649 CA GLU A 45 -2.863 -6.942 -6.895 1.00 0.38 C ATOM 650 C GLU A 45 -2.303 -5.502 -6.823 1.00 0.31 C ATOM 651 O GLU A 45 -1.607 -5.060 -7.739 1.00 0.37 O ATOM 652 CB GLU A 45 -4.163 -6.989 -7.703 1.00 0.46 C ATOM 653 CG GLU A 45 -4.637 -8.398 -8.006 1.00 0.64 C ATOM 654 CD GLU A 45 -5.892 -8.436 -8.837 1.00 1.21 C ATOM 655 OE1 GLU A 45 -6.996 -8.370 -8.269 1.00 2.06 O ATOM 656 OE2 GLU A 45 -5.796 -8.556 -10.076 1.00 1.31 O ATOM 0 H GLU A 45 -4.002 -7.597 -5.270 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.124 -7.550 -7.417 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.943 -6.462 -7.153 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.018 -6.453 -8.641 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.846 -8.936 -8.529 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.814 -8.924 -7.068 1.00 0.64 H new ATOM 663 N VAL A 46 -2.577 -4.777 -5.739 1.00 0.30 N ATOM 664 CA VAL A 46 -2.049 -3.427 -5.615 1.00 0.30 C ATOM 665 C VAL A 46 -0.617 -3.439 -5.086 1.00 0.29 C ATOM 666 O VAL A 46 0.206 -2.667 -5.546 1.00 0.39 O ATOM 667 CB VAL A 46 -2.967 -2.437 -4.788 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.166 -2.869 -3.369 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.423 -1.023 -4.801 1.00 1.43 C ATOM 0 H VAL A 46 -3.147 -5.094 -4.955 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.043 -3.025 -6.628 1.00 0.30 H new ATOM 0 HB VAL A 46 -3.935 -2.460 -5.289 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.804 -2.149 -2.856 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.639 -3.851 -3.351 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.200 -2.922 -2.866 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.081 -0.375 -4.223 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.426 -1.013 -4.361 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.370 -0.663 -5.828 1.00 1.43 H new ATOM 679 N VAL A 47 -0.304 -4.355 -4.170 1.00 0.28 N ATOM 680 CA VAL A 47 1.050 -4.418 -3.607 1.00 0.33 C ATOM 681 C VAL A 47 2.104 -4.752 -4.685 1.00 0.31 C ATOM 682 O VAL A 47 3.154 -4.116 -4.747 1.00 0.35 O ATOM 683 CB VAL A 47 1.168 -5.375 -2.363 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.862 -6.826 -2.698 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.536 -5.255 -1.702 1.00 0.53 C ATOM 0 H VAL A 47 -0.953 -5.052 -3.806 1.00 0.28 H new ATOM 0 HA VAL A 47 1.262 -3.416 -3.233 1.00 0.33 H new ATOM 0 HB VAL A 47 0.406 -5.047 -1.656 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.960 -7.435 -1.800 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.156 -6.904 -3.080 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.562 -7.180 -3.455 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.587 -5.928 -0.846 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.312 -5.522 -2.420 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.689 -4.229 -1.367 1.00 0.53 H new ATOM 695 N VAL A 48 1.780 -5.683 -5.582 1.00 0.29 N ATOM 696 CA VAL A 48 2.713 -6.069 -6.640 1.00 0.31 C ATOM 697 C VAL A 48 2.842 -4.941 -7.693 1.00 0.29 C ATOM 698 O VAL A 48 3.855 -4.814 -8.390 1.00 0.35 O ATOM 699 CB VAL A 48 2.312 -7.431 -7.309 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.985 -7.338 -8.053 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.413 -7.963 -8.215 1.00 0.65 C ATOM 0 H VAL A 48 0.889 -6.179 -5.598 1.00 0.29 H new ATOM 0 HA VAL A 48 3.689 -6.219 -6.179 1.00 0.31 H new ATOM 0 HB VAL A 48 2.178 -8.146 -6.497 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.749 -8.304 -8.499 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.196 -7.058 -7.355 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.060 -6.585 -8.837 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.095 -8.907 -8.658 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.614 -7.240 -9.006 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.319 -8.123 -7.631 1.00 0.65 H new ATOM 711 N ALA A 49 1.840 -4.088 -7.746 1.00 0.28 N ATOM 712 CA ALA A 49 1.844 -2.970 -8.657 1.00 0.28 C ATOM 713 C ALA A 49 2.564 -1.793 -8.024 1.00 0.27 C ATOM 714 O ALA A 49 3.184 -0.991 -8.698 1.00 0.32 O ATOM 715 CB ALA A 49 0.422 -2.583 -9.031 1.00 0.32 C ATOM 0 H ALA A 49 1.007 -4.152 -7.162 1.00 0.28 H new ATOM 0 HA ALA A 49 2.370 -3.259 -9.567 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.444 -1.738 -9.719 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -0.071 -3.429 -9.511 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.128 -2.305 -8.132 1.00 0.32 H new ATOM 721 N ALA A 50 2.509 -1.717 -6.714 1.00 0.27 N ATOM 722 CA ALA A 50 3.130 -0.639 -5.980 1.00 0.30 C ATOM 723 C ALA A 50 4.646 -0.737 -6.036 1.00 0.29 C ATOM 724 O ALA A 50 5.338 0.273 -5.923 1.00 0.32 O ATOM 725 CB ALA A 50 2.643 -0.613 -4.538 1.00 0.36 C ATOM 0 H ALA A 50 2.032 -2.401 -6.127 1.00 0.27 H new ATOM 0 HA ALA A 50 2.838 0.298 -6.455 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.125 0.207 -4.006 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.562 -0.471 -4.521 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.893 -1.557 -4.053 1.00 0.36 H new ATOM 731 N GLU A 51 5.155 -1.947 -6.244 1.00 0.32 N ATOM 732 CA GLU A 51 6.593 -2.171 -6.331 1.00 0.39 C ATOM 733 C GLU A 51 7.207 -1.317 -7.437 1.00 0.39 C ATOM 734 O GLU A 51 8.188 -0.611 -7.212 1.00 0.47 O ATOM 735 CB GLU A 51 6.913 -3.647 -6.549 1.00 0.49 C ATOM 736 CG GLU A 51 6.299 -4.555 -5.504 1.00 0.36 C ATOM 737 CD GLU A 51 6.764 -5.977 -5.613 1.00 0.44 C ATOM 738 OE1 GLU A 51 6.580 -6.587 -6.680 1.00 0.70 O ATOM 739 OE2 GLU A 51 7.294 -6.538 -4.630 1.00 0.78 O ATOM 0 H GLU A 51 4.591 -2.789 -6.356 1.00 0.32 H new ATOM 0 HA GLU A 51 7.034 -1.872 -5.380 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.557 -3.947 -7.535 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.995 -3.781 -6.546 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.543 -4.174 -4.512 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.214 -4.526 -5.599 1.00 0.36 H new ATOM 746 N GLU A 52 6.583 -1.320 -8.602 1.00 0.36 N ATOM 747 CA GLU A 52 7.077 -0.521 -9.713 1.00 0.41 C ATOM 748 C GLU A 52 6.769 0.965 -9.475 1.00 0.38 C ATOM 749 O GLU A 52 7.579 1.837 -9.775 1.00 0.47 O ATOM 750 CB GLU A 52 6.457 -0.965 -11.054 1.00 0.49 C ATOM 751 CG GLU A 52 4.945 -0.791 -11.120 1.00 0.53 C ATOM 752 CD GLU A 52 4.366 -1.020 -12.480 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.722 -0.298 -13.417 1.00 0.94 O ATOM 754 OE2 GLU A 52 3.543 -1.927 -12.643 1.00 0.96 O ATOM 0 H GLU A 52 5.742 -1.860 -8.804 1.00 0.36 H new ATOM 0 HA GLU A 52 8.155 -0.670 -9.769 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.915 -0.394 -11.862 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.701 -2.013 -11.227 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.479 -1.481 -10.417 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.691 0.217 -10.793 1.00 0.53 H new ATOM 761 N ARG A 53 5.613 1.232 -8.878 1.00 0.32 N ATOM 762 CA ARG A 53 5.125 2.592 -8.711 1.00 0.36 C ATOM 763 C ARG A 53 5.916 3.383 -7.683 1.00 0.35 C ATOM 764 O ARG A 53 5.938 4.606 -7.729 1.00 0.48 O ATOM 765 CB ARG A 53 3.631 2.616 -8.360 1.00 0.46 C ATOM 766 CG ARG A 53 2.726 2.010 -9.425 1.00 1.11 C ATOM 767 CD ARG A 53 2.862 2.716 -10.767 1.00 1.21 C ATOM 768 NE ARG A 53 2.447 4.122 -10.714 1.00 2.17 N ATOM 769 CZ ARG A 53 2.559 4.993 -11.724 1.00 2.78 C ATOM 770 NH1 ARG A 53 3.210 4.660 -12.836 1.00 2.79 N ATOM 771 NH2 ARG A 53 2.053 6.211 -11.590 1.00 3.85 N ATOM 0 H ARG A 53 4.993 0.516 -8.499 1.00 0.32 H new ATOM 0 HA ARG A 53 5.268 3.079 -9.676 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.481 2.078 -7.424 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.327 3.648 -8.187 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.967 0.954 -9.546 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.690 2.064 -9.092 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.899 2.660 -11.098 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.261 2.192 -11.511 1.00 1.21 H new ATOM 0 HE ARG A 53 2.042 4.462 -9.841 1.00 2.17 H new ATOM 0 HH11 ARG A 53 3.629 3.734 -12.924 1.00 2.79 H new ATOM 0 HH12 ARG A 53 3.290 5.331 -13.600 1.00 2.79 H new ATOM 0 HH21 ARG A 53 1.584 6.476 -10.724 1.00 3.85 H new ATOM 0 HH22 ARG A 53 2.133 6.883 -12.353 1.00 3.85 H new ATOM 785 N PHE A 54 6.545 2.704 -6.752 1.00 0.29 N ATOM 786 CA PHE A 54 7.305 3.396 -5.724 1.00 0.30 C ATOM 787 C PHE A 54 8.778 3.079 -5.785 1.00 0.33 C ATOM 788 O PHE A 54 9.526 3.441 -4.866 1.00 0.40 O ATOM 789 CB PHE A 54 6.758 3.078 -4.342 1.00 0.31 C ATOM 790 CG PHE A 54 5.368 3.553 -4.172 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.101 4.889 -4.011 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.325 2.655 -4.153 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.821 5.327 -3.833 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.042 3.086 -3.974 1.00 0.38 C ATOM 795 CZ PHE A 54 2.789 4.441 -3.901 1.00 0.37 C ATOM 0 H PHE A 54 6.550 1.687 -6.680 1.00 0.29 H new ATOM 0 HA PHE A 54 7.193 4.463 -5.917 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.796 2.001 -4.176 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.393 3.539 -3.586 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.912 5.602 -4.025 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.523 1.601 -4.281 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.627 6.372 -3.639 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.234 2.375 -3.890 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.770 4.799 -3.898 1.00 0.37 H new ATOM 805 N ASP A 55 9.200 2.402 -6.868 1.00 0.36 N ATOM 806 CA ASP A 55 10.618 2.039 -7.065 1.00 0.44 C ATOM 807 C ASP A 55 11.102 1.148 -5.923 1.00 0.46 C ATOM 808 O ASP A 55 12.231 1.293 -5.428 1.00 0.77 O ATOM 809 CB ASP A 55 11.508 3.307 -7.170 1.00 0.53 C ATOM 810 CG ASP A 55 11.367 4.068 -8.472 1.00 1.14 C ATOM 811 OD1 ASP A 55 10.362 4.785 -8.673 1.00 1.95 O ATOM 812 OD2 ASP A 55 12.281 3.971 -9.325 1.00 1.23 O ATOM 0 H ASP A 55 8.582 2.095 -7.619 1.00 0.36 H new ATOM 0 HA ASP A 55 10.699 1.487 -8.002 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.264 3.976 -6.345 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.551 3.015 -7.046 1.00 0.53 H new ATOM 817 N VAL A 56 10.269 0.213 -5.530 1.00 0.35 N ATOM 818 CA VAL A 56 10.572 -0.673 -4.426 1.00 0.40 C ATOM 819 C VAL A 56 10.414 -2.128 -4.836 1.00 0.52 C ATOM 820 O VAL A 56 10.226 -2.442 -6.016 1.00 1.14 O ATOM 821 CB VAL A 56 9.676 -0.404 -3.163 1.00 0.55 C ATOM 822 CG1 VAL A 56 9.946 0.952 -2.569 1.00 1.00 C ATOM 823 CG2 VAL A 56 8.193 -0.534 -3.498 1.00 1.37 C ATOM 0 H VAL A 56 9.362 0.044 -5.965 1.00 0.35 H new ATOM 0 HA VAL A 56 11.608 -0.469 -4.158 1.00 0.40 H new ATOM 0 HB VAL A 56 9.937 -1.162 -2.424 1.00 0.55 H new ATOM 0 HG11 VAL A 56 9.308 1.101 -1.698 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.992 1.016 -2.268 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.734 1.723 -3.310 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.600 -0.342 -2.604 1.00 1.37 H new ATOM 0 HG22 VAL A 56 7.930 0.189 -4.270 1.00 1.37 H new ATOM 0 HG23 VAL A 56 7.989 -1.542 -3.860 1.00 1.37 H new ATOM 833 N LYS A 57 10.492 -2.989 -3.864 1.00 0.41 N ATOM 834 CA LYS A 57 10.242 -4.387 -4.010 1.00 0.40 C ATOM 835 C LYS A 57 9.852 -4.842 -2.622 1.00 0.45 C ATOM 836 O LYS A 57 10.571 -4.548 -1.661 1.00 0.67 O ATOM 837 CB LYS A 57 11.500 -5.118 -4.516 1.00 0.57 C ATOM 838 CG LYS A 57 11.211 -6.481 -5.118 1.00 1.30 C ATOM 839 CD LYS A 57 10.234 -6.331 -6.272 1.00 1.77 C ATOM 840 CE LYS A 57 9.889 -7.653 -6.928 1.00 2.45 C ATOM 841 NZ LYS A 57 8.843 -7.465 -7.954 1.00 3.34 N ATOM 0 H LYS A 57 10.742 -2.723 -2.912 1.00 0.41 H new ATOM 0 HA LYS A 57 9.465 -4.603 -4.743 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.994 -4.498 -5.264 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.199 -5.237 -3.688 1.00 0.57 H new ATOM 0 HG2 LYS A 57 12.136 -6.939 -5.468 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.795 -7.144 -4.360 1.00 1.30 H new ATOM 0 HD2 LYS A 57 9.320 -5.862 -5.909 1.00 1.77 H new ATOM 0 HD3 LYS A 57 10.661 -5.661 -7.018 1.00 1.77 H new ATOM 0 HE2 LYS A 57 10.781 -8.083 -7.384 1.00 2.45 H new ATOM 0 HE3 LYS A 57 9.544 -8.361 -6.174 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 8.522 -8.393 -8.297 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 8.039 -6.952 -7.540 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 9.231 -6.917 -8.749 1.00 3.34 H new ATOM 855 N ILE A 58 8.711 -5.468 -2.488 1.00 0.36 N ATOM 856 CA ILE A 58 8.178 -5.772 -1.173 1.00 0.42 C ATOM 857 C ILE A 58 7.975 -7.277 -0.999 1.00 0.46 C ATOM 858 O ILE A 58 7.162 -7.883 -1.705 1.00 0.52 O ATOM 859 CB ILE A 58 6.827 -5.028 -0.951 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.011 -3.520 -1.212 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.313 -5.257 0.475 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.730 -2.719 -1.195 1.00 0.57 C ATOM 0 H ILE A 58 8.130 -5.779 -3.267 1.00 0.36 H new ATOM 0 HA ILE A 58 8.900 -5.432 -0.431 1.00 0.42 H new ATOM 0 HB ILE A 58 6.091 -5.425 -1.650 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.688 -3.114 -0.460 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.494 -3.388 -2.180 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.369 -4.730 0.611 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.160 -6.324 0.640 1.00 0.55 H new ATOM 0 HG23 ILE A 58 7.045 -4.881 1.190 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.954 -1.670 -1.387 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.057 -3.093 -1.966 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.254 -2.815 -0.219 1.00 0.57 H new ATOM 874 N PRO A 59 8.712 -7.893 -0.060 1.00 0.47 N ATOM 875 CA PRO A 59 8.611 -9.324 0.228 1.00 0.53 C ATOM 876 C PRO A 59 7.230 -9.683 0.763 1.00 0.53 C ATOM 877 O PRO A 59 6.700 -9.003 1.654 1.00 0.46 O ATOM 878 CB PRO A 59 9.671 -9.553 1.313 1.00 0.59 C ATOM 879 CG PRO A 59 10.563 -8.374 1.232 1.00 0.63 C ATOM 880 CD PRO A 59 9.698 -7.243 0.795 1.00 0.50 C ATOM 0 HA PRO A 59 8.762 -9.936 -0.661 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.215 -9.636 2.299 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.222 -10.477 1.138 1.00 0.59 H new ATOM 0 HG2 PRO A 59 11.023 -8.164 2.198 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.373 -8.544 0.523 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.230 -6.743 1.643 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.266 -6.487 0.253 1.00 0.50 H new ATOM 888 N ASP A 60 6.674 -10.767 0.249 1.00 0.68 N ATOM 889 CA ASP A 60 5.308 -11.212 0.579 1.00 0.77 C ATOM 890 C ASP A 60 5.111 -11.471 2.077 1.00 0.70 C ATOM 891 O ASP A 60 4.032 -11.204 2.632 1.00 0.69 O ATOM 892 CB ASP A 60 4.938 -12.452 -0.231 1.00 1.08 C ATOM 893 CG ASP A 60 3.529 -12.923 0.042 1.00 1.50 C ATOM 894 OD1 ASP A 60 2.577 -12.254 -0.386 1.00 1.84 O ATOM 895 OD2 ASP A 60 3.345 -13.998 0.648 1.00 2.30 O ATOM 0 H ASP A 60 7.152 -11.376 -0.415 1.00 0.68 H new ATOM 0 HA ASP A 60 4.639 -10.394 0.311 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.045 -12.233 -1.293 1.00 1.08 H new ATOM 0 HB3 ASP A 60 5.637 -13.255 0.001 1.00 1.08 H new ATOM 900 N ASP A 61 6.164 -11.934 2.738 1.00 0.75 N ATOM 901 CA ASP A 61 6.108 -12.216 4.180 1.00 0.85 C ATOM 902 C ASP A 61 5.910 -10.927 4.955 1.00 0.71 C ATOM 903 O ASP A 61 5.273 -10.916 6.012 1.00 0.79 O ATOM 904 CB ASP A 61 7.401 -12.901 4.700 1.00 1.13 C ATOM 905 CG ASP A 61 8.584 -11.942 4.899 1.00 1.80 C ATOM 906 OD1 ASP A 61 9.372 -11.739 3.942 1.00 2.38 O ATOM 907 OD2 ASP A 61 8.742 -11.379 6.008 1.00 2.31 O ATOM 0 H ASP A 61 7.068 -12.124 2.306 1.00 0.75 H new ATOM 0 HA ASP A 61 5.270 -12.896 4.333 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.183 -13.392 5.648 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.694 -13.681 3.997 1.00 1.13 H new ATOM 912 N ASP A 62 6.426 -9.837 4.411 1.00 0.60 N ATOM 913 CA ASP A 62 6.388 -8.576 5.102 1.00 0.62 C ATOM 914 C ASP A 62 5.067 -7.900 4.835 1.00 0.51 C ATOM 915 O ASP A 62 4.528 -7.209 5.691 1.00 0.61 O ATOM 916 CB ASP A 62 7.565 -7.687 4.696 1.00 0.74 C ATOM 917 CG ASP A 62 7.849 -6.656 5.745 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.410 -7.040 6.807 1.00 1.52 O ATOM 919 OD2 ASP A 62 7.558 -5.483 5.547 1.00 1.17 O ATOM 0 H ASP A 62 6.873 -9.808 3.495 1.00 0.60 H new ATOM 0 HA ASP A 62 6.481 -8.753 6.173 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.451 -8.302 4.537 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.344 -7.195 3.749 1.00 0.74 H new ATOM 924 N VAL A 63 4.526 -8.173 3.643 1.00 0.43 N ATOM 925 CA VAL A 63 3.206 -7.701 3.229 1.00 0.46 C ATOM 926 C VAL A 63 2.175 -8.092 4.287 1.00 0.46 C ATOM 927 O VAL A 63 1.575 -7.233 4.916 1.00 0.55 O ATOM 928 CB VAL A 63 2.795 -8.329 1.861 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.397 -7.897 1.457 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.781 -7.949 0.774 1.00 0.73 C ATOM 0 H VAL A 63 4.999 -8.733 2.934 1.00 0.43 H new ATOM 0 HA VAL A 63 3.245 -6.617 3.120 1.00 0.46 H new ATOM 0 HB VAL A 63 2.803 -9.412 1.984 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.138 -8.350 0.500 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.683 -8.219 2.216 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.364 -6.811 1.365 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.473 -8.399 -0.170 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.806 -6.864 0.668 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.774 -8.310 1.041 1.00 0.73 H new ATOM 940 N LYS A 64 2.025 -9.397 4.521 1.00 0.46 N ATOM 941 CA LYS A 64 1.043 -9.907 5.493 1.00 0.55 C ATOM 942 C LYS A 64 1.383 -9.524 6.938 1.00 0.54 C ATOM 943 O LYS A 64 0.600 -9.771 7.849 1.00 0.63 O ATOM 944 CB LYS A 64 0.904 -11.424 5.420 1.00 0.68 C ATOM 945 CG LYS A 64 0.373 -11.974 4.115 1.00 0.77 C ATOM 946 CD LYS A 64 0.105 -13.461 4.263 1.00 0.99 C ATOM 947 CE LYS A 64 -0.378 -14.100 2.976 1.00 1.17 C ATOM 948 NZ LYS A 64 0.644 -14.061 1.912 1.00 1.24 N ATOM 0 H LYS A 64 2.568 -10.123 4.054 1.00 0.46 H new ATOM 0 HA LYS A 64 0.100 -9.436 5.215 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.881 -11.869 5.609 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.244 -11.749 6.225 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.544 -11.455 3.836 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.094 -11.801 3.316 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.017 -13.959 4.591 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.641 -13.616 5.043 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -0.658 -15.136 3.170 1.00 1.17 H new ATOM 0 HE3 LYS A 64 -1.276 -13.586 2.633 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 0.329 -14.639 1.107 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 0.783 -13.079 1.600 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 1.541 -14.438 2.279 1.00 1.24 H new ATOM 962 N ASN A 65 2.538 -8.954 7.151 1.00 0.50 N ATOM 963 CA ASN A 65 2.948 -8.568 8.484 1.00 0.56 C ATOM 964 C ASN A 65 2.464 -7.165 8.823 1.00 0.52 C ATOM 965 O ASN A 65 2.223 -6.838 10.002 1.00 0.65 O ATOM 966 CB ASN A 65 4.473 -8.681 8.634 1.00 0.64 C ATOM 967 CG ASN A 65 4.987 -8.157 9.964 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.373 -6.996 10.076 1.00 1.95 O ATOM 969 ND2 ASN A 65 4.981 -8.984 10.971 1.00 2.07 N ATOM 0 H ASN A 65 3.217 -8.744 6.420 1.00 0.50 H new ATOM 0 HA ASN A 65 2.486 -9.254 9.194 1.00 0.56 H new ATOM 0 HB2 ASN A 65 4.765 -9.725 8.526 1.00 0.64 H new ATOM 0 HB3 ASN A 65 4.952 -8.130 7.825 1.00 0.64 H new ATOM 0 HD21 ASN A 65 5.304 -8.674 11.888 1.00 2.07 H new ATOM 0 HD22 ASN A 65 4.654 -9.942 10.843 1.00 2.07 H new ATOM 976 N LEU A 66 2.259 -6.360 7.803 1.00 0.43 N ATOM 977 CA LEU A 66 1.873 -4.978 7.996 1.00 0.43 C ATOM 978 C LEU A 66 0.376 -4.865 8.216 1.00 0.43 C ATOM 979 O LEU A 66 -0.335 -5.862 8.155 1.00 0.47 O ATOM 980 CB LEU A 66 2.300 -4.140 6.810 1.00 0.44 C ATOM 981 CG LEU A 66 3.788 -4.162 6.479 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.046 -3.288 5.298 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.624 -3.704 7.665 1.00 0.60 C ATOM 0 H LEU A 66 2.354 -6.640 6.827 1.00 0.43 H new ATOM 0 HA LEU A 66 2.378 -4.602 8.886 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.748 -4.478 5.933 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.004 -3.107 6.994 1.00 0.44 H new ATOM 0 HG LEU A 66 4.076 -5.187 6.246 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.110 -3.303 5.060 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.478 -3.654 4.443 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.739 -2.267 5.527 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.680 -3.731 7.398 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.344 -2.686 7.936 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.447 -4.367 8.512 1.00 0.60 H new ATOM 995 N LYS A 67 -0.111 -3.663 8.480 1.00 0.45 N ATOM 996 CA LYS A 67 -1.521 -3.479 8.772 1.00 0.50 C ATOM 997 C LYS A 67 -2.105 -2.280 8.034 1.00 0.43 C ATOM 998 O LYS A 67 -2.888 -2.429 7.089 1.00 0.52 O ATOM 999 CB LYS A 67 -1.732 -3.319 10.283 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.201 -4.483 11.085 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.402 -4.284 12.572 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.925 -5.495 13.352 1.00 1.86 C ATOM 1003 NZ LYS A 67 -1.051 -5.304 14.809 1.00 2.69 N ATOM 0 H LYS A 67 0.445 -2.808 8.498 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.046 -4.369 8.423 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -1.243 -2.404 10.616 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -2.797 -3.203 10.484 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -1.702 -5.399 10.771 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -0.139 -4.613 10.877 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.859 -3.398 12.901 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -2.457 -4.106 12.779 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -1.502 -6.369 13.051 1.00 1.86 H new ATOM 0 HE3 LYS A 67 0.116 -5.699 13.103 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -0.714 -6.156 15.301 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -0.480 -4.486 15.102 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -2.048 -5.136 15.052 1.00 2.69 H new ATOM 1017 N THR A 68 -1.727 -1.098 8.454 1.00 0.37 N ATOM 1018 CA THR A 68 -2.255 0.097 7.874 1.00 0.35 C ATOM 1019 C THR A 68 -1.319 0.636 6.814 1.00 0.32 C ATOM 1020 O THR A 68 -0.224 0.088 6.596 1.00 0.33 O ATOM 1021 CB THR A 68 -2.524 1.195 8.942 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.304 1.531 9.632 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.562 0.731 9.952 1.00 0.46 C ATOM 0 H THR A 68 -1.050 -0.945 9.201 1.00 0.37 H new ATOM 0 HA THR A 68 -3.208 -0.167 7.416 1.00 0.35 H new ATOM 0 HB THR A 68 -2.905 2.076 8.426 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.980 0.747 10.123 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.731 1.518 10.687 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.497 0.508 9.437 1.00 0.46 H new ATOM 0 HG23 THR A 68 -3.203 -0.166 10.456 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.701 1.727 6.190 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.838 2.370 5.238 1.00 0.33 C ATOM 1033 C VAL A 69 0.275 3.104 5.973 1.00 0.34 C ATOM 1034 O VAL A 69 1.319 3.397 5.410 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.584 3.319 4.268 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.634 2.566 3.479 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.223 4.449 5.012 1.00 0.56 C ATOM 0 H VAL A 69 -2.603 2.184 6.327 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.413 1.587 4.610 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.849 3.728 3.575 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.145 3.253 2.805 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.156 1.776 2.899 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.358 2.125 4.165 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.741 5.101 4.309 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.938 4.052 5.732 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.456 5.018 5.538 1.00 0.56 H new ATOM 1047 N GLY A 70 0.055 3.336 7.265 1.00 0.36 N ATOM 1048 CA GLY A 70 1.065 3.917 8.105 1.00 0.38 C ATOM 1049 C GLY A 70 2.186 2.933 8.322 1.00 0.39 C ATOM 1050 O GLY A 70 3.348 3.306 8.424 1.00 0.46 O ATOM 0 H GLY A 70 -0.822 3.125 7.742 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.453 4.826 7.646 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.632 4.204 9.063 1.00 0.38 H new ATOM 1054 N ASP A 71 1.835 1.658 8.354 1.00 0.42 N ATOM 1055 CA ASP A 71 2.832 0.600 8.510 1.00 0.50 C ATOM 1056 C ASP A 71 3.528 0.376 7.177 1.00 0.49 C ATOM 1057 O ASP A 71 4.736 0.192 7.106 1.00 0.58 O ATOM 1058 CB ASP A 71 2.185 -0.724 8.963 1.00 0.62 C ATOM 1059 CG ASP A 71 1.420 -0.622 10.261 1.00 0.82 C ATOM 1060 OD1 ASP A 71 2.035 -0.645 11.349 1.00 1.00 O ATOM 1061 OD2 ASP A 71 0.179 -0.526 10.222 1.00 1.62 O ATOM 0 H ASP A 71 0.874 1.327 8.275 1.00 0.42 H new ATOM 0 HA ASP A 71 3.545 0.913 9.273 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.510 -1.072 8.182 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.964 -1.479 9.071 1.00 0.62 H new ATOM 1066 N ALA A 72 2.742 0.474 6.115 1.00 0.43 N ATOM 1067 CA ALA A 72 3.201 0.224 4.761 1.00 0.48 C ATOM 1068 C ALA A 72 4.216 1.250 4.328 1.00 0.44 C ATOM 1069 O ALA A 72 5.271 0.911 3.795 1.00 0.47 O ATOM 1070 CB ALA A 72 2.020 0.219 3.805 1.00 0.51 C ATOM 0 H ALA A 72 1.757 0.732 6.172 1.00 0.43 H new ATOM 0 HA ALA A 72 3.684 -0.753 4.742 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.373 0.031 2.791 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.319 -0.564 4.096 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.519 1.186 3.841 1.00 0.51 H new ATOM 1076 N THR A 73 3.909 2.496 4.594 1.00 0.40 N ATOM 1077 CA THR A 73 4.746 3.595 4.216 1.00 0.39 C ATOM 1078 C THR A 73 6.138 3.497 4.818 1.00 0.39 C ATOM 1079 O THR A 73 7.120 3.769 4.131 1.00 0.41 O ATOM 1080 CB THR A 73 4.103 4.931 4.582 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.614 4.884 5.916 1.00 0.36 O ATOM 1082 CG2 THR A 73 2.980 5.274 3.637 1.00 0.46 C ATOM 0 H THR A 73 3.059 2.773 5.085 1.00 0.40 H new ATOM 0 HA THR A 73 4.854 3.543 3.133 1.00 0.39 H new ATOM 0 HB THR A 73 4.865 5.707 4.500 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.709 4.508 5.920 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.542 6.230 3.924 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.368 5.343 2.621 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.216 4.498 3.682 1.00 0.46 H new ATOM 1090 N LYS A 74 6.215 3.059 6.080 1.00 0.47 N ATOM 1091 CA LYS A 74 7.478 2.938 6.797 1.00 0.53 C ATOM 1092 C LYS A 74 8.412 1.956 6.081 1.00 0.48 C ATOM 1093 O LYS A 74 9.624 2.148 6.067 1.00 0.55 O ATOM 1094 CB LYS A 74 7.236 2.511 8.259 1.00 0.65 C ATOM 1095 CG LYS A 74 8.483 2.542 9.146 1.00 1.26 C ATOM 1096 CD LYS A 74 8.160 2.111 10.573 1.00 1.88 C ATOM 1097 CE LYS A 74 9.386 2.163 11.491 1.00 2.66 C ATOM 1098 NZ LYS A 74 10.502 1.332 10.988 1.00 3.54 N ATOM 0 H LYS A 74 5.401 2.780 6.628 1.00 0.47 H new ATOM 0 HA LYS A 74 7.963 3.914 6.810 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.480 3.165 8.694 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.826 1.501 8.266 1.00 0.65 H new ATOM 0 HG2 LYS A 74 9.245 1.884 8.729 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.901 3.549 9.154 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.380 2.756 10.977 1.00 1.88 H new ATOM 0 HD3 LYS A 74 7.761 1.097 10.562 1.00 1.88 H new ATOM 0 HE2 LYS A 74 9.721 3.196 11.588 1.00 2.66 H new ATOM 0 HE3 LYS A 74 9.105 1.824 12.488 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 11.247 1.276 11.712 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 10.154 0.375 10.775 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 10.891 1.759 10.123 1.00 3.54 H new ATOM 1112 N TYR A 75 7.848 0.925 5.469 1.00 0.45 N ATOM 1113 CA TYR A 75 8.650 -0.009 4.701 1.00 0.44 C ATOM 1114 C TYR A 75 9.013 0.607 3.346 1.00 0.40 C ATOM 1115 O TYR A 75 10.179 0.593 2.922 1.00 0.48 O ATOM 1116 CB TYR A 75 7.928 -1.368 4.484 1.00 0.49 C ATOM 1117 CG TYR A 75 8.799 -2.353 3.716 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.677 -3.188 4.382 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.794 -2.384 2.324 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.535 -4.010 3.695 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.634 -3.220 1.634 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.508 -4.021 2.327 1.00 0.69 C ATOM 1123 OH TYR A 75 11.405 -4.792 1.638 1.00 0.83 O ATOM 0 H TYR A 75 6.850 0.717 5.490 1.00 0.45 H new ATOM 0 HA TYR A 75 9.555 -0.208 5.275 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.660 -1.796 5.450 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.998 -1.203 3.939 1.00 0.49 H new ATOM 0 HD1 TYR A 75 9.688 -3.194 5.462 1.00 0.68 H new ATOM 0 HD2 TYR A 75 8.119 -1.740 1.780 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.227 -4.644 4.230 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.608 -3.248 0.555 1.00 0.61 H new ATOM 0 HH TYR A 75 11.640 -5.578 2.174 1.00 0.83 H new ATOM 1133 N ILE A 76 8.012 1.147 2.676 1.00 0.37 N ATOM 1134 CA ILE A 76 8.163 1.700 1.333 1.00 0.43 C ATOM 1135 C ILE A 76 9.210 2.802 1.288 1.00 0.52 C ATOM 1136 O ILE A 76 10.162 2.697 0.547 1.00 0.65 O ATOM 1137 CB ILE A 76 6.824 2.225 0.794 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.810 1.089 0.755 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.011 2.807 -0.608 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.430 1.538 0.394 1.00 0.55 C ATOM 0 H ILE A 76 7.064 1.217 3.046 1.00 0.37 H new ATOM 0 HA ILE A 76 8.503 0.885 0.694 1.00 0.43 H new ATOM 0 HB ILE A 76 6.458 3.013 1.453 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.141 0.341 0.035 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.783 0.602 1.730 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.055 3.176 -0.979 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.726 3.629 -0.568 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.385 2.032 -1.277 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.759 0.679 0.385 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.080 2.264 1.128 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.444 1.998 -0.594 1.00 0.55 H new ATOM 1152 N LEU A 77 9.048 3.842 2.095 1.00 0.52 N ATOM 1153 CA LEU A 77 9.994 4.959 2.095 1.00 0.71 C ATOM 1154 C LEU A 77 11.396 4.540 2.512 1.00 0.78 C ATOM 1155 O LEU A 77 12.379 5.223 2.218 1.00 0.96 O ATOM 1156 CB LEU A 77 9.471 6.217 2.843 1.00 0.86 C ATOM 1157 CG LEU A 77 8.994 6.083 4.299 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.132 5.808 5.271 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.229 7.323 4.698 1.00 0.99 C ATOM 0 H LEU A 77 8.277 3.939 2.755 1.00 0.52 H new ATOM 0 HA LEU A 77 10.078 5.274 1.055 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.266 6.962 2.826 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.642 6.622 2.263 1.00 0.86 H new ATOM 0 HG LEU A 77 8.336 5.216 4.351 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.734 5.723 6.282 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.628 4.877 4.997 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.850 6.627 5.231 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.892 7.226 5.730 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.877 8.195 4.608 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.365 7.444 4.044 1.00 0.99 H new ATOM 1171 N ASP A 78 11.473 3.432 3.201 1.00 0.71 N ATOM 1172 CA ASP A 78 12.747 2.883 3.641 1.00 0.84 C ATOM 1173 C ASP A 78 13.510 2.285 2.452 1.00 0.94 C ATOM 1174 O ASP A 78 14.706 2.504 2.293 1.00 1.09 O ATOM 1175 CB ASP A 78 12.513 1.825 4.724 1.00 0.91 C ATOM 1176 CG ASP A 78 13.773 1.131 5.177 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.572 1.748 5.906 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.003 -0.028 4.779 1.00 1.26 O ATOM 0 H ASP A 78 10.662 2.879 3.477 1.00 0.71 H new ATOM 0 HA ASP A 78 13.352 3.685 4.063 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.040 2.298 5.585 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.814 1.079 4.346 1.00 0.91 H new