USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 642 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 174:sc= 1.27 (180deg=1.12) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 4 GLN : amide:sc= -3.19 K(o=-3.2,f=-0.57) USER MOD Single : A 16 ASN : amide:sc= -3.37! C(o=-3.4!,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.624 (180deg=-0.118) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.0499 USER MOD Single : A 42 SER OG : rot -110:sc= -0.101 USER MOD Single : A 43 MET CE :methyl -174:sc= -2.41! (180deg=-2.46) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= 0.731 (180deg=-0.597!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.974 USER MOD Single : A 73 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 80 GLN : amide:sc= -5.71! C(o=-5.7!,f=-11!) USER MOD Single : A 101 SXH O33 : rot 53:sc= -1.28! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.739 -6.543 4.431 1.00 1.43 N ATOM 2 CA ALA A 1 13.295 -7.315 3.281 1.00 0.89 C ATOM 3 C ALA A 1 11.962 -7.971 3.612 1.00 0.84 C ATOM 4 O ALA A 1 11.603 -8.071 4.785 1.00 1.31 O ATOM 5 CB ALA A 1 14.334 -8.367 2.923 1.00 1.02 C ATOM 0 H1 ALA A 1 14.695 -6.174 4.253 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.086 -5.750 4.590 1.00 1.43 H new ATOM 0 H3 ALA A 1 13.754 -7.153 5.273 1.00 1.43 H new ATOM 0 HA ALA A 1 13.170 -6.657 2.421 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.991 -8.939 2.061 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.278 -7.879 2.682 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.478 -9.038 3.769 1.00 1.02 H new ATOM 13 N ALA A 2 11.237 -8.404 2.598 1.00 0.70 N ATOM 14 CA ALA A 2 9.940 -9.063 2.756 1.00 0.62 C ATOM 15 C ALA A 2 9.661 -9.884 1.514 1.00 0.65 C ATOM 16 O ALA A 2 10.589 -10.186 0.749 1.00 0.87 O ATOM 17 CB ALA A 2 8.831 -8.034 2.976 1.00 0.59 C ATOM 0 H ALA A 2 11.530 -8.310 1.626 1.00 0.70 H new ATOM 0 HA ALA A 2 9.966 -9.712 3.631 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.876 -8.547 3.091 1.00 0.59 H new ATOM 0 HB2 ALA A 2 9.043 -7.457 3.876 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.782 -7.363 2.118 1.00 0.59 H new ATOM 23 N THR A 3 8.427 -10.256 1.307 1.00 0.51 N ATOM 24 CA THR A 3 8.043 -11.007 0.144 1.00 0.54 C ATOM 25 C THR A 3 6.855 -10.326 -0.473 1.00 0.42 C ATOM 26 O THR A 3 6.460 -9.253 0.008 1.00 0.37 O ATOM 27 CB THR A 3 7.665 -12.459 0.505 1.00 0.64 C ATOM 28 OG1 THR A 3 6.702 -12.448 1.582 1.00 0.63 O ATOM 29 CG2 THR A 3 8.889 -13.271 0.903 1.00 0.82 C ATOM 0 H THR A 3 7.657 -10.046 1.943 1.00 0.51 H new ATOM 0 HA THR A 3 8.884 -11.046 -0.548 1.00 0.54 H new ATOM 0 HB THR A 3 7.229 -12.932 -0.375 1.00 0.64 H new ATOM 0 HG1 THR A 3 6.459 -13.369 1.813 1.00 0.63 H new ATOM 0 HG21 THR A 3 8.586 -14.288 1.151 1.00 0.82 H new ATOM 0 HG22 THR A 3 9.595 -13.295 0.073 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.364 -12.812 1.771 1.00 0.82 H new ATOM 37 N GLN A 4 6.244 -10.938 -1.473 1.00 0.44 N ATOM 38 CA GLN A 4 5.044 -10.388 -2.053 1.00 0.42 C ATOM 39 C GLN A 4 3.964 -10.425 -1.005 1.00 0.38 C ATOM 40 O GLN A 4 3.339 -9.414 -0.722 1.00 0.38 O ATOM 41 CB GLN A 4 4.644 -11.150 -3.358 1.00 0.52 C ATOM 42 CG GLN A 4 3.326 -10.708 -4.044 1.00 0.66 C ATOM 43 CD GLN A 4 2.065 -11.434 -3.535 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.674 -12.473 -4.070 1.00 1.24 O ATOM 45 NE2 GLN A 4 1.428 -10.897 -2.533 1.00 0.63 N ATOM 0 H GLN A 4 6.562 -11.811 -1.894 1.00 0.44 H new ATOM 0 HA GLN A 4 5.207 -9.354 -2.358 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.455 -11.042 -4.078 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.566 -12.211 -3.122 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.197 -9.636 -3.897 1.00 0.66 H new ATOM 0 HG3 GLN A 4 3.417 -10.874 -5.117 1.00 0.66 H new ATOM 0 HE21 GLN A 4 1.775 -10.036 -2.110 1.00 0.63 H new ATOM 0 HE22 GLN A 4 0.582 -11.337 -2.172 1.00 0.63 H new ATOM 54 N GLU A 5 3.800 -11.583 -0.389 1.00 0.40 N ATOM 55 CA GLU A 5 2.801 -11.791 0.627 1.00 0.46 C ATOM 56 C GLU A 5 2.989 -10.820 1.794 1.00 0.37 C ATOM 57 O GLU A 5 2.049 -10.153 2.208 1.00 0.37 O ATOM 58 CB GLU A 5 2.874 -13.221 1.144 1.00 0.63 C ATOM 59 CG GLU A 5 1.837 -13.519 2.193 1.00 1.35 C ATOM 60 CD GLU A 5 2.045 -14.834 2.876 1.00 1.79 C ATOM 61 OE1 GLU A 5 1.589 -15.868 2.364 1.00 2.08 O ATOM 62 OE2 GLU A 5 2.651 -14.854 3.965 1.00 2.43 O ATOM 0 H GLU A 5 4.365 -12.409 -0.587 1.00 0.40 H new ATOM 0 HA GLU A 5 1.824 -11.610 0.179 1.00 0.46 H new ATOM 0 HB2 GLU A 5 2.747 -13.910 0.309 1.00 0.63 H new ATOM 0 HB3 GLU A 5 3.866 -13.402 1.559 1.00 0.63 H new ATOM 0 HG2 GLU A 5 1.847 -12.725 2.939 1.00 1.35 H new ATOM 0 HG3 GLU A 5 0.850 -13.510 1.731 1.00 1.35 H new ATOM 69 N GLU A 6 4.216 -10.717 2.279 1.00 0.36 N ATOM 70 CA GLU A 6 4.500 -9.899 3.451 1.00 0.37 C ATOM 71 C GLU A 6 4.253 -8.418 3.246 1.00 0.29 C ATOM 72 O GLU A 6 3.646 -7.785 4.108 1.00 0.31 O ATOM 73 CB GLU A 6 5.863 -10.180 4.045 1.00 0.46 C ATOM 74 CG GLU A 6 5.943 -11.542 4.697 1.00 0.67 C ATOM 75 CD GLU A 6 7.254 -11.783 5.375 1.00 1.38 C ATOM 76 OE1 GLU A 6 7.494 -11.199 6.445 1.00 1.91 O ATOM 77 OE2 GLU A 6 8.053 -12.580 4.873 1.00 2.07 O ATOM 0 H GLU A 6 5.030 -11.187 1.882 1.00 0.36 H new ATOM 0 HA GLU A 6 3.764 -10.211 4.192 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.618 -10.111 3.262 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.099 -9.413 4.783 1.00 0.46 H new ATOM 0 HG2 GLU A 6 5.139 -11.639 5.426 1.00 0.67 H new ATOM 0 HG3 GLU A 6 5.783 -12.311 3.942 1.00 0.67 H new ATOM 84 N ILE A 7 4.712 -7.852 2.123 1.00 0.24 N ATOM 85 CA ILE A 7 4.404 -6.460 1.822 1.00 0.19 C ATOM 86 C ILE A 7 2.901 -6.266 1.760 1.00 0.17 C ATOM 87 O ILE A 7 2.353 -5.374 2.417 1.00 0.20 O ATOM 88 CB ILE A 7 5.001 -6.057 0.483 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.499 -6.225 0.537 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.626 -4.613 0.139 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.160 -5.957 -0.761 1.00 0.25 C ATOM 0 H ILE A 7 5.284 -8.328 1.426 1.00 0.24 H new ATOM 0 HA ILE A 7 4.831 -5.840 2.610 1.00 0.19 H new ATOM 0 HB ILE A 7 4.598 -6.699 -0.301 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.907 -5.553 1.292 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.734 -7.241 0.855 1.00 0.23 H new ATOM 0 HG21 ILE A 7 5.062 -4.343 -0.823 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.541 -4.522 0.084 1.00 0.19 H new ATOM 0 HG23 ILE A 7 5.007 -3.944 0.911 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.236 -6.095 -0.657 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.777 -6.647 -1.513 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.954 -4.932 -1.070 1.00 0.25 H new ATOM 103 N VAL A 8 2.258 -7.122 0.991 1.00 0.15 N ATOM 104 CA VAL A 8 0.810 -7.060 0.795 1.00 0.15 C ATOM 105 C VAL A 8 0.068 -7.093 2.129 1.00 0.17 C ATOM 106 O VAL A 8 -0.711 -6.190 2.423 1.00 0.19 O ATOM 107 CB VAL A 8 0.310 -8.198 -0.136 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.208 -8.255 -0.164 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.822 -7.965 -1.538 1.00 0.18 C ATOM 0 H VAL A 8 2.715 -7.879 0.483 1.00 0.15 H new ATOM 0 HA VAL A 8 0.593 -6.109 0.308 1.00 0.15 H new ATOM 0 HB VAL A 8 0.687 -9.145 0.251 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.530 -9.061 -0.824 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.584 -8.438 0.843 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.601 -7.307 -0.531 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.471 -8.764 -2.191 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.453 -7.007 -1.906 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.912 -7.955 -1.530 1.00 0.18 H new ATOM 119 N ALA A 9 0.342 -8.106 2.940 1.00 0.19 N ATOM 120 CA ALA A 9 -0.313 -8.273 4.238 1.00 0.22 C ATOM 121 C ALA A 9 -0.013 -7.101 5.173 1.00 0.18 C ATOM 122 O ALA A 9 -0.864 -6.694 5.950 1.00 0.20 O ATOM 123 CB ALA A 9 0.101 -9.588 4.881 1.00 0.28 C ATOM 0 H ALA A 9 1.021 -8.835 2.721 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.389 -8.292 4.065 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.396 -9.694 5.845 1.00 0.28 H new ATOM 0 HB2 ALA A 9 -0.185 -10.416 4.232 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.181 -9.597 5.027 1.00 0.28 H new ATOM 129 N GLY A 10 1.171 -6.529 5.029 1.00 0.17 N ATOM 130 CA GLY A 10 1.601 -5.440 5.853 1.00 0.17 C ATOM 131 C GLY A 10 0.846 -4.197 5.522 1.00 0.15 C ATOM 132 O GLY A 10 0.464 -3.462 6.396 1.00 0.18 O ATOM 0 H GLY A 10 1.856 -6.817 4.330 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.453 -5.692 6.903 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.669 -5.271 5.713 1.00 0.17 H new ATOM 136 N LEU A 11 0.633 -3.971 4.244 1.00 0.14 N ATOM 137 CA LEU A 11 -0.177 -2.854 3.780 1.00 0.14 C ATOM 138 C LEU A 11 -1.602 -3.104 4.188 1.00 0.13 C ATOM 139 O LEU A 11 -2.248 -2.251 4.788 1.00 0.15 O ATOM 140 CB LEU A 11 -0.124 -2.749 2.247 1.00 0.14 C ATOM 141 CG LEU A 11 1.243 -2.532 1.609 1.00 0.18 C ATOM 142 CD1 LEU A 11 1.131 -2.597 0.095 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.814 -1.199 2.031 1.00 0.26 C ATOM 0 H LEU A 11 1.013 -4.551 3.496 1.00 0.14 H new ATOM 0 HA LEU A 11 0.204 -1.930 4.215 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.549 -3.662 1.831 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.773 -1.928 1.942 1.00 0.14 H new ATOM 0 HG LEU A 11 1.914 -3.322 1.947 1.00 0.18 H new ATOM 0 HD11 LEU A 11 2.114 -2.441 -0.350 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.751 -3.575 -0.200 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.448 -1.822 -0.253 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.790 -1.058 1.567 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.144 -0.400 1.715 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.921 -1.176 3.116 1.00 0.26 H new ATOM 155 N ALA A 12 -2.057 -4.312 3.899 1.00 0.12 N ATOM 156 CA ALA A 12 -3.410 -4.735 4.141 1.00 0.13 C ATOM 157 C ALA A 12 -3.825 -4.559 5.569 1.00 0.13 C ATOM 158 O ALA A 12 -4.877 -4.001 5.814 1.00 0.15 O ATOM 159 CB ALA A 12 -3.609 -6.159 3.727 1.00 0.14 C ATOM 0 H ALA A 12 -1.475 -5.037 3.480 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.044 -4.090 3.533 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.640 -6.453 3.921 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.396 -6.262 2.663 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.936 -6.801 4.295 1.00 0.14 H new ATOM 165 N GLU A 13 -2.991 -5.003 6.516 1.00 0.13 N ATOM 166 CA GLU A 13 -3.316 -4.887 7.941 1.00 0.18 C ATOM 167 C GLU A 13 -3.532 -3.441 8.340 1.00 0.18 C ATOM 168 O GLU A 13 -4.309 -3.146 9.242 1.00 0.27 O ATOM 169 CB GLU A 13 -2.276 -5.572 8.848 1.00 0.27 C ATOM 170 CG GLU A 13 -0.874 -5.029 8.701 1.00 0.28 C ATOM 171 CD GLU A 13 0.121 -5.659 9.634 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.596 -6.778 9.344 1.00 0.76 O ATOM 173 OE2 GLU A 13 0.407 -5.095 10.692 1.00 0.66 O ATOM 0 H GLU A 13 -2.091 -5.443 6.323 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.254 -5.422 8.090 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.589 -5.464 9.887 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.265 -6.639 8.628 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.542 -5.180 7.674 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.891 -3.953 8.875 1.00 0.28 H new ATOM 180 N ILE A 14 -2.872 -2.551 7.649 1.00 0.13 N ATOM 181 CA ILE A 14 -3.051 -1.128 7.883 1.00 0.13 C ATOM 182 C ILE A 14 -4.395 -0.673 7.252 1.00 0.13 C ATOM 183 O ILE A 14 -5.226 -0.030 7.909 1.00 0.17 O ATOM 184 CB ILE A 14 -1.883 -0.347 7.272 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.574 -0.911 7.805 1.00 0.19 C ATOM 186 CG2 ILE A 14 -1.999 1.114 7.670 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.637 -0.430 7.058 1.00 0.25 C ATOM 0 H ILE A 14 -2.201 -2.779 6.915 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.073 -0.932 8.955 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.906 -0.435 6.186 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.473 -0.641 8.856 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.611 -1.999 7.758 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.171 1.676 7.238 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -2.942 1.518 7.302 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -1.968 1.199 8.756 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.533 -0.873 7.493 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.559 -0.723 6.011 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.699 0.656 7.127 1.00 0.25 H new ATOM 199 N VAL A 15 -4.590 -1.013 5.966 1.00 0.10 N ATOM 200 CA VAL A 15 -5.829 -0.729 5.209 1.00 0.11 C ATOM 201 C VAL A 15 -7.051 -1.233 5.993 1.00 0.12 C ATOM 202 O VAL A 15 -8.091 -0.569 6.025 1.00 0.17 O ATOM 203 CB VAL A 15 -5.814 -1.442 3.831 1.00 0.12 C ATOM 204 CG1 VAL A 15 -6.986 -1.000 2.972 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.529 -1.184 3.109 1.00 0.15 C ATOM 0 H VAL A 15 -3.884 -1.499 5.413 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.886 0.349 5.062 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.904 -2.512 4.017 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.949 -1.516 2.013 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.920 -1.242 3.479 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -6.931 0.076 2.807 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.544 -1.695 2.146 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.410 -0.112 2.950 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.696 -1.557 3.705 1.00 0.15 H new ATOM 215 N ASN A 16 -6.901 -2.419 6.596 1.00 0.11 N ATOM 216 CA ASN A 16 -7.915 -3.051 7.487 1.00 0.15 C ATOM 217 C ASN A 16 -8.470 -2.061 8.490 1.00 0.19 C ATOM 218 O ASN A 16 -9.677 -1.938 8.654 1.00 0.27 O ATOM 219 CB ASN A 16 -7.287 -4.195 8.317 1.00 0.18 C ATOM 220 CG ASN A 16 -7.171 -5.548 7.661 1.00 0.32 C ATOM 221 OD1 ASN A 16 -7.200 -6.568 8.346 1.00 0.85 O ATOM 222 ND2 ASN A 16 -7.039 -5.602 6.374 1.00 0.15 N ATOM 0 H ASN A 16 -6.061 -2.986 6.484 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.702 -3.421 6.830 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.288 -3.881 8.620 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -7.875 -4.312 9.228 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -6.956 -6.505 5.907 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -7.018 -4.741 5.827 1.00 0.15 H new ATOM 229 N GLU A 17 -7.580 -1.339 9.118 1.00 0.21 N ATOM 230 CA GLU A 17 -7.931 -0.456 10.198 1.00 0.29 C ATOM 231 C GLU A 17 -8.662 0.778 9.705 1.00 0.27 C ATOM 232 O GLU A 17 -9.701 1.142 10.242 1.00 0.39 O ATOM 233 CB GLU A 17 -6.677 -0.043 10.955 1.00 0.40 C ATOM 234 CG GLU A 17 -5.814 -1.217 11.349 1.00 0.51 C ATOM 235 CD GLU A 17 -4.592 -0.830 12.128 1.00 1.42 C ATOM 236 OE1 GLU A 17 -3.944 0.174 11.801 1.00 2.35 O ATOM 237 OE2 GLU A 17 -4.264 -1.545 13.105 1.00 1.56 O ATOM 0 H GLU A 17 -6.585 -1.347 8.893 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.604 -0.997 10.863 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.093 0.639 10.336 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -6.964 0.507 11.851 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -6.409 -1.911 11.943 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -5.507 -1.750 10.449 1.00 0.51 H new ATOM 244 N ILE A 18 -8.145 1.405 8.665 1.00 0.21 N ATOM 245 CA ILE A 18 -8.711 2.677 8.247 1.00 0.22 C ATOM 246 C ILE A 18 -9.886 2.486 7.283 1.00 0.23 C ATOM 247 O ILE A 18 -10.975 2.983 7.534 1.00 0.28 O ATOM 248 CB ILE A 18 -7.663 3.526 7.513 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.330 3.562 8.255 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.187 4.950 7.367 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.242 4.209 7.451 1.00 0.27 C ATOM 0 H ILE A 18 -7.359 1.070 8.108 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.049 3.173 9.157 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.491 3.071 6.537 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.455 4.103 9.193 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -6.033 2.545 8.511 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.447 5.558 6.846 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -9.115 4.939 6.796 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.374 5.372 8.354 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.316 4.208 8.025 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -5.095 3.654 6.525 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.524 5.236 7.218 1.00 0.27 H new ATOM 263 N ALA A 19 -9.672 1.767 6.184 1.00 0.21 N ATOM 264 CA ALA A 19 -10.747 1.600 5.198 1.00 0.26 C ATOM 265 C ALA A 19 -11.550 0.332 5.406 1.00 0.26 C ATOM 266 O ALA A 19 -12.704 0.238 4.977 1.00 0.44 O ATOM 267 CB ALA A 19 -10.195 1.621 3.809 1.00 0.28 C ATOM 0 H ALA A 19 -8.794 1.302 5.953 1.00 0.21 H new ATOM 0 HA ALA A 19 -11.425 2.441 5.341 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -11.007 1.496 3.093 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.697 2.574 3.630 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.478 0.809 3.690 1.00 0.28 H new ATOM 273 N GLY A 20 -10.947 -0.652 6.010 1.00 0.18 N ATOM 274 CA GLY A 20 -11.657 -1.875 6.264 1.00 0.22 C ATOM 275 C GLY A 20 -11.525 -2.883 5.148 1.00 0.18 C ATOM 276 O GLY A 20 -12.302 -3.836 5.088 1.00 0.27 O ATOM 0 H GLY A 20 -9.979 -0.634 6.332 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.287 -2.317 7.189 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.712 -1.650 6.418 1.00 0.22 H new ATOM 280 N ILE A 21 -10.566 -2.675 4.244 1.00 0.14 N ATOM 281 CA ILE A 21 -10.315 -3.637 3.204 1.00 0.15 C ATOM 282 C ILE A 21 -9.576 -4.798 3.836 1.00 0.16 C ATOM 283 O ILE A 21 -8.474 -4.591 4.343 1.00 0.17 O ATOM 284 CB ILE A 21 -9.411 -3.048 2.122 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.108 -1.860 1.491 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.111 -4.113 1.085 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.495 -2.205 1.029 1.00 0.25 C ATOM 0 H ILE A 21 -9.963 -1.853 4.222 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.261 -3.937 2.753 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.468 -2.713 2.555 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.158 -1.044 2.211 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.522 -1.503 0.644 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.466 -3.696 0.311 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.608 -4.954 1.562 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.043 -4.455 0.635 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -11.959 -1.325 0.583 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.444 -3.003 0.289 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.090 -2.537 1.880 1.00 0.25 H new ATOM 299 N PRO A 22 -10.154 -6.010 3.842 1.00 0.21 N ATOM 300 CA PRO A 22 -9.564 -7.168 4.523 1.00 0.24 C ATOM 301 C PRO A 22 -8.220 -7.594 3.934 1.00 0.21 C ATOM 302 O PRO A 22 -7.961 -7.398 2.741 1.00 0.21 O ATOM 303 CB PRO A 22 -10.590 -8.286 4.321 1.00 0.33 C ATOM 304 CG PRO A 22 -11.834 -7.613 3.870 1.00 0.33 C ATOM 305 CD PRO A 22 -11.416 -6.354 3.179 1.00 0.25 C ATOM 0 HA PRO A 22 -9.359 -6.934 5.568 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.244 -9.006 3.580 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.756 -8.837 5.247 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.399 -8.256 3.195 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.483 -7.392 4.717 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.279 -6.509 2.109 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.160 -5.565 3.295 1.00 0.25 H new ATOM 313 N VAL A 23 -7.395 -8.246 4.764 1.00 0.24 N ATOM 314 CA VAL A 23 -6.056 -8.701 4.360 1.00 0.29 C ATOM 315 C VAL A 23 -6.128 -9.753 3.260 1.00 0.35 C ATOM 316 O VAL A 23 -5.174 -9.970 2.525 1.00 0.51 O ATOM 317 CB VAL A 23 -5.201 -9.271 5.544 1.00 0.37 C ATOM 318 CG1 VAL A 23 -4.856 -8.199 6.556 1.00 0.84 C ATOM 319 CG2 VAL A 23 -5.923 -10.424 6.230 1.00 0.90 C ATOM 0 H VAL A 23 -7.634 -8.472 5.729 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.560 -7.804 3.989 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.269 -9.642 5.116 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.263 -8.635 7.360 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.283 -7.410 6.069 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -5.773 -7.779 6.968 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.310 -10.802 7.048 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -6.877 -10.073 6.624 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.100 -11.223 5.510 1.00 0.90 H new ATOM 329 N GLU A 24 -7.281 -10.370 3.142 1.00 0.37 N ATOM 330 CA GLU A 24 -7.502 -11.389 2.157 1.00 0.54 C ATOM 331 C GLU A 24 -8.075 -10.811 0.888 1.00 0.40 C ATOM 332 O GLU A 24 -8.065 -11.469 -0.144 1.00 0.46 O ATOM 333 CB GLU A 24 -8.419 -12.471 2.703 1.00 0.87 C ATOM 334 CG GLU A 24 -9.742 -11.955 3.237 1.00 1.32 C ATOM 335 CD GLU A 24 -10.590 -13.058 3.783 1.00 2.07 C ATOM 336 OE1 GLU A 24 -10.226 -13.651 4.813 1.00 2.99 O ATOM 337 OE2 GLU A 24 -11.633 -13.361 3.181 1.00 2.34 O ATOM 0 H GLU A 24 -8.091 -10.175 3.731 1.00 0.37 H new ATOM 0 HA GLU A 24 -6.536 -11.834 1.919 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -8.617 -13.196 1.914 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -7.900 -13.002 3.501 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -9.556 -11.219 4.019 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -10.281 -11.443 2.440 1.00 1.32 H new ATOM 344 N ASP A 25 -8.576 -9.587 0.950 1.00 0.30 N ATOM 345 CA ASP A 25 -9.166 -8.996 -0.216 1.00 0.25 C ATOM 346 C ASP A 25 -8.075 -8.260 -0.961 1.00 0.20 C ATOM 347 O ASP A 25 -8.034 -8.266 -2.183 1.00 0.20 O ATOM 348 CB ASP A 25 -10.328 -8.072 0.174 1.00 0.31 C ATOM 349 CG ASP A 25 -11.245 -7.745 -0.988 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.796 -8.686 -1.598 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.489 -6.562 -1.268 1.00 0.53 O ATOM 0 H ASP A 25 -8.581 -9.001 1.785 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.591 -9.761 -0.866 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -10.909 -8.544 0.966 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.926 -7.145 0.583 1.00 0.31 H new ATOM 356 N VAL A 26 -7.159 -7.654 -0.184 1.00 0.18 N ATOM 357 CA VAL A 26 -5.964 -6.985 -0.700 1.00 0.16 C ATOM 358 C VAL A 26 -5.062 -7.998 -1.428 1.00 0.16 C ATOM 359 O VAL A 26 -4.298 -8.736 -0.804 1.00 0.19 O ATOM 360 CB VAL A 26 -5.154 -6.335 0.472 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.884 -5.656 -0.015 1.00 0.16 C ATOM 362 CG2 VAL A 26 -5.993 -5.338 1.225 1.00 0.18 C ATOM 0 H VAL A 26 -7.234 -7.618 0.833 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.282 -6.209 -1.396 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.873 -7.150 1.139 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.356 -5.220 0.833 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.243 -6.390 -0.503 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.141 -4.870 -0.725 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.404 -4.903 2.033 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.317 -4.549 0.546 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.867 -5.839 1.642 1.00 0.18 H new ATOM 372 N LYS A 27 -5.252 -8.103 -2.709 1.00 0.21 N ATOM 373 CA LYS A 27 -4.423 -8.934 -3.559 1.00 0.25 C ATOM 374 C LYS A 27 -3.767 -8.029 -4.556 1.00 0.44 C ATOM 375 O LYS A 27 -4.213 -6.921 -4.719 1.00 1.20 O ATOM 376 CB LYS A 27 -5.232 -10.054 -4.221 1.00 0.26 C ATOM 377 CG LYS A 27 -5.805 -11.057 -3.237 1.00 0.36 C ATOM 378 CD LYS A 27 -4.695 -11.773 -2.498 1.00 1.43 C ATOM 379 CE LYS A 27 -5.227 -12.630 -1.368 1.00 1.66 C ATOM 380 NZ LYS A 27 -4.127 -13.230 -0.591 1.00 2.03 N ATOM 0 H LYS A 27 -5.994 -7.612 -3.208 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.662 -9.447 -2.971 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -6.048 -9.612 -4.792 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.594 -10.579 -4.932 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -6.453 -10.546 -2.525 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.423 -11.782 -3.767 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -4.139 -12.398 -3.196 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -3.994 -11.040 -2.098 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -5.851 -12.024 -0.711 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -5.862 -13.418 -1.773 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -4.521 -13.812 0.176 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -3.547 -13.826 -1.215 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -3.537 -12.476 -0.186 1.00 2.03 H new ATOM 394 N LEU A 28 -2.756 -8.477 -5.250 1.00 0.34 N ATOM 395 CA LEU A 28 -1.941 -7.538 -5.995 1.00 0.34 C ATOM 396 C LEU A 28 -2.663 -6.790 -7.123 1.00 0.32 C ATOM 397 O LEU A 28 -2.421 -5.600 -7.321 1.00 0.46 O ATOM 398 CB LEU A 28 -0.625 -8.104 -6.469 1.00 0.56 C ATOM 399 CG LEU A 28 -0.602 -8.889 -7.750 1.00 0.58 C ATOM 400 CD1 LEU A 28 0.798 -8.812 -8.281 1.00 1.20 C ATOM 401 CD2 LEU A 28 -0.995 -10.339 -7.514 1.00 1.12 C ATOM 0 H LEU A 28 -2.477 -9.456 -5.320 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.715 -6.784 -5.241 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.073 -7.274 -6.576 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.237 -8.747 -5.679 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.319 -8.477 -8.460 1.00 0.58 H new ATOM 0 HD11 LEU A 28 0.864 -9.370 -9.215 1.00 1.20 H new ATOM 0 HD12 LEU A 28 1.062 -7.770 -8.461 1.00 1.20 H new ATOM 0 HD13 LEU A 28 1.487 -9.240 -7.553 1.00 1.20 H new ATOM 0 HD21 LEU A 28 -0.969 -10.881 -8.459 1.00 1.12 H new ATOM 0 HD22 LEU A 28 -0.296 -10.796 -6.814 1.00 1.12 H new ATOM 0 HD23 LEU A 28 -2.002 -10.380 -7.100 1.00 1.12 H new ATOM 413 N ASP A 29 -3.588 -7.425 -7.805 1.00 0.34 N ATOM 414 CA ASP A 29 -4.290 -6.713 -8.912 1.00 0.46 C ATOM 415 C ASP A 29 -5.479 -5.942 -8.400 1.00 0.34 C ATOM 416 O ASP A 29 -6.256 -5.362 -9.161 1.00 0.56 O ATOM 417 CB ASP A 29 -4.700 -7.622 -10.084 1.00 0.79 C ATOM 418 CG ASP A 29 -5.668 -8.733 -9.733 1.00 1.41 C ATOM 419 OD1 ASP A 29 -6.865 -8.434 -9.512 1.00 1.85 O ATOM 420 OD2 ASP A 29 -5.269 -9.908 -9.616 1.00 2.12 O ATOM 0 H ASP A 29 -3.881 -8.389 -7.644 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.556 -6.015 -9.314 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -5.148 -7.004 -10.862 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -3.800 -8.067 -10.509 1.00 0.79 H new ATOM 425 N LYS A 30 -5.564 -5.849 -7.107 1.00 0.26 N ATOM 426 CA LYS A 30 -6.629 -5.210 -6.477 1.00 0.21 C ATOM 427 C LYS A 30 -6.276 -3.790 -6.307 1.00 0.22 C ATOM 428 O LYS A 30 -5.547 -3.421 -5.396 1.00 0.32 O ATOM 429 CB LYS A 30 -6.953 -5.860 -5.133 1.00 0.23 C ATOM 430 CG LYS A 30 -7.840 -7.101 -5.185 1.00 0.43 C ATOM 431 CD LYS A 30 -7.367 -8.153 -6.150 1.00 0.61 C ATOM 432 CE LYS A 30 -8.278 -9.361 -6.134 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.677 -9.024 -6.460 1.00 1.38 N ATOM 0 H LYS A 30 -4.868 -6.231 -6.466 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.525 -5.300 -7.091 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.015 -6.128 -4.647 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.439 -5.117 -4.501 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -7.896 -7.537 -4.187 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -8.851 -6.801 -5.459 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -7.329 -7.736 -7.156 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -6.352 -8.456 -5.892 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -7.910 -10.098 -6.848 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -8.241 -9.826 -5.149 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.150 -9.858 -6.862 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -10.173 -8.727 -5.595 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -9.695 -8.249 -7.153 1.00 1.38 H new ATOM 447 N SER A 31 -6.655 -3.030 -7.273 1.00 0.20 N ATOM 448 CA SER A 31 -6.523 -1.619 -7.212 1.00 0.21 C ATOM 449 C SER A 31 -7.302 -1.156 -6.003 1.00 0.19 C ATOM 450 O SER A 31 -8.532 -1.312 -5.947 1.00 0.21 O ATOM 451 CB SER A 31 -7.075 -0.995 -8.485 1.00 0.26 C ATOM 452 OG SER A 31 -6.896 0.404 -8.510 1.00 1.23 O ATOM 0 H SER A 31 -7.070 -3.376 -8.138 1.00 0.20 H new ATOM 0 HA SER A 31 -5.478 -1.320 -7.126 1.00 0.21 H new ATOM 0 HB2 SER A 31 -6.581 -1.439 -9.350 1.00 0.26 H new ATOM 0 HB3 SER A 31 -8.137 -1.226 -8.571 1.00 0.26 H new ATOM 0 HG SER A 31 -7.262 0.766 -9.344 1.00 1.23 H new ATOM 458 N PHE A 32 -6.577 -0.736 -5.005 1.00 0.21 N ATOM 459 CA PHE A 32 -7.134 -0.250 -3.756 1.00 0.20 C ATOM 460 C PHE A 32 -8.430 0.596 -3.898 1.00 0.23 C ATOM 461 O PHE A 32 -9.443 0.271 -3.269 1.00 0.28 O ATOM 462 CB PHE A 32 -6.085 0.483 -2.949 1.00 0.21 C ATOM 463 CG PHE A 32 -5.153 -0.412 -2.183 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.489 -0.935 -0.933 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.932 -0.758 -2.739 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.628 -1.778 -0.281 1.00 0.22 C ATOM 467 CE2 PHE A 32 -3.066 -1.587 -2.079 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.458 -2.019 -0.690 1.00 0.18 C ATOM 0 H PHE A 32 -5.557 -0.718 -5.029 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.447 -1.144 -3.217 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.498 1.108 -3.622 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.585 1.151 -2.248 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.433 -0.674 -0.477 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.659 -0.367 -3.708 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.966 -2.259 0.625 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -2.143 -1.917 -2.533 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.749 -2.527 -0.054 1.00 0.18 H new ATOM 478 N THR A 33 -8.415 1.649 -4.696 1.00 0.25 N ATOM 479 CA THR A 33 -9.613 2.469 -4.897 1.00 0.37 C ATOM 480 C THR A 33 -10.474 2.035 -6.100 1.00 0.37 C ATOM 481 O THR A 33 -11.192 2.859 -6.697 1.00 0.59 O ATOM 482 CB THR A 33 -9.262 3.966 -5.010 1.00 0.56 C ATOM 483 OG1 THR A 33 -8.101 4.155 -5.832 1.00 1.39 O ATOM 484 CG2 THR A 33 -9.019 4.563 -3.658 1.00 0.88 C ATOM 0 H THR A 33 -7.595 1.961 -5.216 1.00 0.25 H new ATOM 0 HA THR A 33 -10.219 2.307 -4.005 1.00 0.37 H new ATOM 0 HB THR A 33 -10.112 4.470 -5.471 1.00 0.56 H new ATOM 0 HG1 THR A 33 -7.294 3.981 -5.303 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.773 5.619 -3.766 1.00 0.88 H new ATOM 0 HG22 THR A 33 -9.916 4.459 -3.048 1.00 0.88 H new ATOM 0 HG23 THR A 33 -8.190 4.045 -3.175 1.00 0.88 H new ATOM 492 N ASP A 34 -10.475 0.749 -6.403 1.00 0.27 N ATOM 493 CA ASP A 34 -11.280 0.241 -7.519 1.00 0.29 C ATOM 494 C ASP A 34 -11.811 -1.162 -7.254 1.00 0.30 C ATOM 495 O ASP A 34 -12.979 -1.433 -7.449 1.00 0.46 O ATOM 496 CB ASP A 34 -10.484 0.267 -8.825 1.00 0.34 C ATOM 497 CG ASP A 34 -11.260 -0.291 -9.997 1.00 0.44 C ATOM 498 OD1 ASP A 34 -12.314 0.268 -10.344 1.00 0.59 O ATOM 499 OD2 ASP A 34 -10.859 -1.326 -10.567 1.00 0.54 O ATOM 0 H ASP A 34 -9.938 0.039 -5.905 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.139 0.905 -7.616 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -10.190 1.293 -9.045 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.566 -0.307 -8.697 1.00 0.34 H new ATOM 504 N ASP A 35 -10.953 -2.045 -6.808 1.00 0.22 N ATOM 505 CA ASP A 35 -11.343 -3.433 -6.540 1.00 0.25 C ATOM 506 C ASP A 35 -11.754 -3.579 -5.096 1.00 0.28 C ATOM 507 O ASP A 35 -12.828 -4.081 -4.778 1.00 0.47 O ATOM 508 CB ASP A 35 -10.159 -4.378 -6.804 1.00 0.29 C ATOM 509 CG ASP A 35 -10.530 -5.864 -6.680 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.880 -6.314 -5.566 1.00 1.28 O ATOM 511 OD2 ASP A 35 -10.553 -6.582 -7.691 1.00 1.31 O ATOM 0 H ASP A 35 -9.972 -1.839 -6.618 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.175 -3.689 -7.197 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.769 -4.190 -7.804 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.357 -4.151 -6.101 1.00 0.29 H new ATOM 516 N LEU A 36 -10.889 -3.121 -4.246 1.00 0.19 N ATOM 517 CA LEU A 36 -11.030 -3.245 -2.817 1.00 0.18 C ATOM 518 C LEU A 36 -12.097 -2.317 -2.283 1.00 0.22 C ATOM 519 O LEU A 36 -13.129 -2.760 -1.759 1.00 0.41 O ATOM 520 CB LEU A 36 -9.681 -2.917 -2.205 1.00 0.16 C ATOM 521 CG LEU A 36 -8.554 -3.832 -2.655 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.255 -3.486 -1.990 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.907 -5.256 -2.376 1.00 0.21 C ATOM 0 H LEU A 36 -10.038 -2.635 -4.529 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.341 -4.257 -2.558 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.421 -1.889 -2.456 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.765 -2.969 -1.119 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.424 -3.692 -3.728 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.476 -4.164 -2.339 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -6.982 -2.460 -2.237 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.362 -3.582 -0.910 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -8.093 -5.903 -2.702 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.069 -5.388 -1.306 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.817 -5.518 -2.916 1.00 0.21 H new ATOM 535 N ASP A 37 -11.790 -1.055 -2.416 1.00 0.21 N ATOM 536 CA ASP A 37 -12.599 0.120 -2.023 1.00 0.31 C ATOM 537 C ASP A 37 -12.101 0.796 -0.789 1.00 0.32 C ATOM 538 O ASP A 37 -12.792 0.893 0.227 1.00 0.65 O ATOM 539 CB ASP A 37 -14.137 -0.042 -2.020 1.00 0.49 C ATOM 540 CG ASP A 37 -14.777 0.174 -3.380 1.00 0.82 C ATOM 541 OD1 ASP A 37 -14.914 1.343 -3.792 1.00 1.05 O ATOM 542 OD2 ASP A 37 -15.185 -0.798 -4.043 1.00 1.24 O ATOM 0 H ASP A 37 -10.902 -0.775 -2.833 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.428 0.788 -2.867 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.387 -1.042 -1.665 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -14.566 0.665 -1.310 1.00 0.49 H new ATOM 547 N VAL A 38 -10.863 1.215 -0.859 1.00 0.30 N ATOM 548 CA VAL A 38 -10.265 1.983 0.189 1.00 0.32 C ATOM 549 C VAL A 38 -10.725 3.429 -0.022 1.00 0.38 C ATOM 550 O VAL A 38 -11.021 3.810 -1.147 1.00 0.52 O ATOM 551 CB VAL A 38 -8.689 1.874 0.145 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.108 2.525 -1.075 1.00 0.65 C ATOM 553 CG2 VAL A 38 -8.028 2.428 1.380 1.00 0.79 C ATOM 0 H VAL A 38 -10.245 1.030 -1.649 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.569 1.614 1.169 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.479 0.805 0.103 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -7.023 2.424 -1.060 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.505 2.043 -1.968 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.374 3.582 -1.085 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.947 2.325 1.291 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -8.285 3.482 1.488 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -8.374 1.878 2.255 1.00 0.79 H new ATOM 563 N ASP A 39 -10.754 4.226 1.022 1.00 0.47 N ATOM 564 CA ASP A 39 -11.223 5.624 0.923 1.00 0.61 C ATOM 565 C ASP A 39 -10.169 6.521 0.323 1.00 0.60 C ATOM 566 O ASP A 39 -10.348 7.725 0.269 1.00 1.08 O ATOM 567 CB ASP A 39 -11.570 6.181 2.307 1.00 0.82 C ATOM 568 CG ASP A 39 -12.741 5.509 2.957 1.00 1.49 C ATOM 569 OD1 ASP A 39 -13.871 5.928 2.723 1.00 1.92 O ATOM 570 OD2 ASP A 39 -12.542 4.545 3.727 1.00 2.28 O ATOM 0 H ASP A 39 -10.462 3.946 1.958 1.00 0.47 H new ATOM 0 HA ASP A 39 -12.105 5.610 0.283 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -10.700 6.081 2.956 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -11.780 7.247 2.217 1.00 0.82 H new ATOM 575 N SER A 40 -9.054 5.912 -0.085 1.00 0.38 N ATOM 576 CA SER A 40 -7.830 6.548 -0.598 1.00 0.37 C ATOM 577 C SER A 40 -7.113 7.388 0.458 1.00 0.32 C ATOM 578 O SER A 40 -5.910 7.399 0.509 1.00 0.37 O ATOM 579 CB SER A 40 -8.041 7.335 -1.897 1.00 0.56 C ATOM 580 OG SER A 40 -8.714 8.593 -1.675 1.00 0.75 O ATOM 0 H SER A 40 -8.972 4.895 -0.066 1.00 0.38 H new ATOM 0 HA SER A 40 -7.171 5.717 -0.852 1.00 0.37 H new ATOM 0 HB2 SER A 40 -7.075 7.521 -2.367 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.624 6.732 -2.593 1.00 0.56 H new ATOM 585 N LEU A 41 -7.870 8.001 1.338 1.00 0.31 N ATOM 586 CA LEU A 41 -7.363 8.870 2.376 1.00 0.32 C ATOM 587 C LEU A 41 -6.590 8.039 3.347 1.00 0.26 C ATOM 588 O LEU A 41 -5.600 8.479 3.921 1.00 0.36 O ATOM 589 CB LEU A 41 -8.526 9.540 3.092 1.00 0.39 C ATOM 590 CG LEU A 41 -9.506 10.304 2.206 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.659 10.824 3.032 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.810 11.449 1.492 1.00 0.77 C ATOM 0 H LEU A 41 -8.886 7.906 1.352 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.722 9.639 1.944 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.080 8.776 3.638 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -8.122 10.230 3.832 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.893 9.618 1.452 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.351 11.367 2.389 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -11.178 9.987 3.499 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -10.280 11.493 3.805 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.529 11.978 0.867 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -8.393 12.137 2.228 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -8.008 11.055 0.868 1.00 0.77 H new ATOM 604 N SER A 42 -7.031 6.794 3.456 1.00 0.16 N ATOM 605 CA SER A 42 -6.453 5.810 4.270 1.00 0.19 C ATOM 606 C SER A 42 -5.040 5.614 3.849 1.00 0.15 C ATOM 607 O SER A 42 -4.176 5.472 4.664 1.00 0.15 O ATOM 608 CB SER A 42 -7.192 4.513 3.995 1.00 0.30 C ATOM 609 OG SER A 42 -8.593 4.730 3.931 1.00 0.71 O ATOM 0 H SER A 42 -7.844 6.456 2.941 1.00 0.16 H new ATOM 0 HA SER A 42 -6.504 6.096 5.321 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.844 4.084 3.056 1.00 0.30 H new ATOM 0 HB3 SER A 42 -6.968 3.789 4.779 1.00 0.30 H new ATOM 0 HG SER A 42 -9.023 4.325 4.713 1.00 0.71 H new ATOM 615 N MET A 43 -4.819 5.717 2.548 1.00 0.18 N ATOM 616 CA MET A 43 -3.572 5.357 1.944 1.00 0.21 C ATOM 617 C MET A 43 -2.458 6.256 2.397 1.00 0.18 C ATOM 618 O MET A 43 -1.322 5.861 2.376 1.00 0.21 O ATOM 619 CB MET A 43 -3.686 5.353 0.439 1.00 0.28 C ATOM 620 CG MET A 43 -2.648 4.496 -0.222 1.00 0.39 C ATOM 621 SD MET A 43 -2.795 2.780 0.298 1.00 0.42 S ATOM 622 CE MET A 43 -4.453 2.431 -0.239 1.00 0.34 C ATOM 0 H MET A 43 -5.516 6.058 1.886 1.00 0.18 H new ATOM 0 HA MET A 43 -3.328 4.346 2.270 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.677 4.998 0.156 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.595 6.375 0.070 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.754 4.561 -1.305 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.654 4.869 0.024 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.744 1.437 0.102 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.134 3.172 0.179 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.499 2.469 -1.327 1.00 0.34 H new ATOM 632 N VAL A 44 -2.783 7.459 2.825 1.00 0.19 N ATOM 633 CA VAL A 44 -1.765 8.314 3.388 1.00 0.22 C ATOM 634 C VAL A 44 -1.230 7.629 4.636 1.00 0.20 C ATOM 635 O VAL A 44 -0.066 7.269 4.700 1.00 0.35 O ATOM 636 CB VAL A 44 -2.293 9.731 3.742 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.213 10.558 4.440 1.00 0.45 C ATOM 638 CG2 VAL A 44 -2.733 10.440 2.490 1.00 0.49 C ATOM 0 H VAL A 44 -3.721 7.857 2.795 1.00 0.19 H new ATOM 0 HA VAL A 44 -0.982 8.461 2.644 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.139 9.619 4.420 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -1.608 11.546 4.677 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -0.909 10.058 5.360 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.351 10.661 3.781 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.102 11.433 2.745 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -1.888 10.531 1.807 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.528 9.870 2.009 1.00 0.49 H new ATOM 648 N GLU A 45 -2.118 7.373 5.578 1.00 0.13 N ATOM 649 CA GLU A 45 -1.755 6.739 6.819 1.00 0.14 C ATOM 650 C GLU A 45 -1.245 5.323 6.569 1.00 0.16 C ATOM 651 O GLU A 45 -0.314 4.880 7.222 1.00 0.25 O ATOM 652 CB GLU A 45 -2.951 6.712 7.748 1.00 0.20 C ATOM 653 CG GLU A 45 -3.458 8.081 8.135 1.00 0.31 C ATOM 654 CD GLU A 45 -2.424 8.869 8.885 1.00 1.00 C ATOM 655 OE1 GLU A 45 -2.018 8.451 9.987 1.00 1.07 O ATOM 656 OE2 GLU A 45 -2.001 9.933 8.388 1.00 1.85 O ATOM 0 H GLU A 45 -3.109 7.601 5.499 1.00 0.13 H new ATOM 0 HA GLU A 45 -0.954 7.312 7.286 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.758 6.159 7.268 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.684 6.166 8.652 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -3.750 8.627 7.238 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -4.352 7.977 8.750 1.00 0.31 H new ATOM 663 N VAL A 46 -1.836 4.650 5.580 1.00 0.15 N ATOM 664 CA VAL A 46 -1.453 3.298 5.224 1.00 0.20 C ATOM 665 C VAL A 46 -0.014 3.265 4.756 1.00 0.24 C ATOM 666 O VAL A 46 0.782 2.457 5.240 1.00 0.30 O ATOM 667 CB VAL A 46 -2.400 2.654 4.133 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.875 1.308 3.665 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.795 2.438 4.682 1.00 0.22 C ATOM 0 H VAL A 46 -2.590 5.032 5.010 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.558 2.695 6.126 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.426 3.353 3.297 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.550 0.895 2.916 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.884 1.435 3.229 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.813 0.627 4.513 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.425 1.994 3.911 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.748 1.769 5.542 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.217 3.395 4.989 1.00 0.22 H new ATOM 679 N VAL A 47 0.354 4.167 3.871 1.00 0.30 N ATOM 680 CA VAL A 47 1.652 4.100 3.326 1.00 0.51 C ATOM 681 C VAL A 47 2.664 4.743 4.240 1.00 0.37 C ATOM 682 O VAL A 47 3.752 4.284 4.310 1.00 0.31 O ATOM 683 CB VAL A 47 1.732 4.631 1.896 1.00 0.91 C ATOM 684 CG1 VAL A 47 3.055 4.289 1.296 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.639 4.038 1.053 1.00 0.96 C ATOM 0 H VAL A 47 -0.229 4.933 3.532 1.00 0.30 H new ATOM 0 HA VAL A 47 1.906 3.043 3.253 1.00 0.51 H new ATOM 0 HB VAL A 47 1.613 5.714 1.926 1.00 0.91 H new ATOM 0 HG11 VAL A 47 3.102 4.672 0.277 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.851 4.739 1.890 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.180 3.206 1.283 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.711 4.427 0.037 1.00 0.96 H new ATOM 0 HG22 VAL A 47 0.742 2.953 1.034 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.330 4.303 1.475 1.00 0.96 H new ATOM 695 N VAL A 48 2.275 5.746 5.005 1.00 0.39 N ATOM 696 CA VAL A 48 3.187 6.337 6.013 1.00 0.39 C ATOM 697 C VAL A 48 3.529 5.282 7.078 1.00 0.30 C ATOM 698 O VAL A 48 4.639 5.246 7.643 1.00 0.37 O ATOM 699 CB VAL A 48 2.583 7.619 6.671 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.438 8.125 7.822 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.449 8.709 5.630 1.00 0.76 C ATOM 0 H VAL A 48 1.351 6.176 4.963 1.00 0.39 H new ATOM 0 HA VAL A 48 4.100 6.647 5.505 1.00 0.39 H new ATOM 0 HB VAL A 48 1.604 7.354 7.071 1.00 0.48 H new ATOM 0 HG11 VAL A 48 2.981 9.017 8.250 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.512 7.352 8.587 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.435 8.369 7.455 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.028 9.602 6.091 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.431 8.942 5.218 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.792 8.369 4.830 1.00 0.76 H new ATOM 711 N ALA A 49 2.596 4.394 7.304 1.00 0.20 N ATOM 712 CA ALA A 49 2.808 3.285 8.194 1.00 0.19 C ATOM 713 C ALA A 49 3.727 2.285 7.497 1.00 0.18 C ATOM 714 O ALA A 49 4.684 1.777 8.080 1.00 0.25 O ATOM 715 CB ALA A 49 1.481 2.647 8.561 1.00 0.22 C ATOM 0 H ALA A 49 1.670 4.420 6.877 1.00 0.20 H new ATOM 0 HA ALA A 49 3.274 3.623 9.120 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.655 1.808 9.235 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.847 3.384 9.054 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.987 2.290 7.658 1.00 0.22 H new ATOM 721 N ALA A 50 3.460 2.070 6.219 1.00 0.15 N ATOM 722 CA ALA A 50 4.248 1.192 5.375 1.00 0.18 C ATOM 723 C ALA A 50 5.689 1.690 5.234 1.00 0.18 C ATOM 724 O ALA A 50 6.617 0.901 5.234 1.00 0.20 O ATOM 725 CB ALA A 50 3.608 1.055 4.010 1.00 0.21 C ATOM 0 H ALA A 50 2.677 2.508 5.733 1.00 0.15 H new ATOM 0 HA ALA A 50 4.277 0.214 5.855 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.212 0.393 3.390 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.607 0.638 4.118 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.544 2.036 3.538 1.00 0.21 H new ATOM 731 N GLU A 51 5.859 3.000 5.139 1.00 0.20 N ATOM 732 CA GLU A 51 7.149 3.642 5.019 1.00 0.23 C ATOM 733 C GLU A 51 8.014 3.265 6.175 1.00 0.24 C ATOM 734 O GLU A 51 9.150 2.869 6.008 1.00 0.29 O ATOM 735 CB GLU A 51 6.996 5.161 5.038 1.00 0.23 C ATOM 736 CG GLU A 51 6.238 5.763 3.886 1.00 0.29 C ATOM 737 CD GLU A 51 6.229 7.258 3.968 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.714 7.820 4.948 1.00 0.59 O ATOM 739 OE2 GLU A 51 6.834 7.895 3.115 1.00 0.73 O ATOM 0 H GLU A 51 5.080 3.659 5.144 1.00 0.20 H new ATOM 0 HA GLU A 51 7.595 3.320 4.078 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.495 5.444 5.964 1.00 0.23 H new ATOM 0 HB3 GLU A 51 7.991 5.606 5.065 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.691 5.450 2.945 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.214 5.390 3.886 1.00 0.29 H new ATOM 746 N GLU A 52 7.409 3.311 7.322 1.00 0.24 N ATOM 747 CA GLU A 52 8.070 3.128 8.573 1.00 0.30 C ATOM 748 C GLU A 52 8.332 1.649 8.852 1.00 0.28 C ATOM 749 O GLU A 52 9.395 1.272 9.345 1.00 0.41 O ATOM 750 CB GLU A 52 7.190 3.753 9.641 1.00 0.41 C ATOM 751 CG GLU A 52 7.709 3.670 11.044 1.00 1.14 C ATOM 752 CD GLU A 52 6.793 4.368 11.995 1.00 1.75 C ATOM 753 OE1 GLU A 52 5.680 3.846 12.258 1.00 2.46 O ATOM 754 OE2 GLU A 52 7.139 5.464 12.468 1.00 2.26 O ATOM 0 H GLU A 52 6.408 3.483 7.414 1.00 0.24 H new ATOM 0 HA GLU A 52 9.048 3.609 8.563 1.00 0.30 H new ATOM 0 HB2 GLU A 52 7.038 4.803 9.391 1.00 0.41 H new ATOM 0 HB3 GLU A 52 6.212 3.273 9.606 1.00 0.41 H new ATOM 0 HG2 GLU A 52 7.814 2.625 11.335 1.00 1.14 H new ATOM 0 HG3 GLU A 52 8.702 4.117 11.095 1.00 1.14 H new ATOM 761 N ARG A 53 7.383 0.813 8.498 1.00 0.21 N ATOM 762 CA ARG A 53 7.506 -0.600 8.781 1.00 0.23 C ATOM 763 C ARG A 53 8.367 -1.311 7.734 1.00 0.23 C ATOM 764 O ARG A 53 9.101 -2.245 8.048 1.00 0.32 O ATOM 765 CB ARG A 53 6.127 -1.256 8.886 1.00 0.25 C ATOM 766 CG ARG A 53 5.352 -1.285 7.596 1.00 0.23 C ATOM 767 CD ARG A 53 4.009 -1.937 7.758 1.00 0.34 C ATOM 768 NE ARG A 53 4.100 -3.349 8.151 1.00 0.86 N ATOM 769 CZ ARG A 53 3.157 -3.996 8.864 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.227 -3.309 9.543 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.176 -5.326 8.950 1.00 1.72 N ATOM 0 H ARG A 53 6.524 1.083 8.018 1.00 0.21 H new ATOM 0 HA ARG A 53 8.008 -0.700 9.743 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.251 -2.278 9.244 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.541 -0.724 9.636 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.218 -0.267 7.231 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.926 -1.822 6.841 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.435 -1.393 8.508 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.459 -1.861 6.820 1.00 0.34 H new ATOM 0 HE ARG A 53 4.928 -3.872 7.867 1.00 0.86 H new ATOM 0 HH11 ARG A 53 2.230 -2.289 9.522 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.517 -3.806 10.080 1.00 1.08 H new ATOM 0 HH21 ARG A 53 3.906 -5.857 8.475 1.00 1.72 H new ATOM 0 HH22 ARG A 53 2.461 -5.812 9.491 1.00 1.72 H new ATOM 785 N PHE A 54 8.288 -0.858 6.504 1.00 0.17 N ATOM 786 CA PHE A 54 9.024 -1.472 5.424 1.00 0.19 C ATOM 787 C PHE A 54 10.362 -0.795 5.195 1.00 0.20 C ATOM 788 O PHE A 54 11.203 -1.310 4.452 1.00 0.28 O ATOM 789 CB PHE A 54 8.183 -1.520 4.139 1.00 0.19 C ATOM 790 CG PHE A 54 6.992 -2.438 4.201 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.157 -3.797 4.406 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.712 -1.946 4.033 1.00 0.27 C ATOM 793 CE1 PHE A 54 6.066 -4.641 4.450 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.617 -2.784 4.076 1.00 0.32 C ATOM 795 CZ PHE A 54 4.796 -4.131 4.285 1.00 0.34 C ATOM 0 H PHE A 54 7.717 -0.060 6.226 1.00 0.17 H new ATOM 0 HA PHE A 54 9.238 -2.500 5.717 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.836 -0.512 3.910 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.823 -1.832 3.314 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.150 -4.201 4.533 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.566 -0.889 3.865 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.207 -5.699 4.613 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.623 -2.383 3.946 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.941 -4.790 4.320 1.00 0.34 H new ATOM 805 N ASP A 55 10.525 0.385 5.815 1.00 0.19 N ATOM 806 CA ASP A 55 11.764 1.222 5.770 1.00 0.26 C ATOM 807 C ASP A 55 12.081 1.626 4.315 1.00 0.29 C ATOM 808 O ASP A 55 13.162 2.081 3.974 1.00 0.47 O ATOM 809 CB ASP A 55 12.947 0.478 6.435 1.00 0.36 C ATOM 810 CG ASP A 55 14.096 1.393 6.831 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.077 1.967 7.927 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.046 1.573 6.010 1.00 1.56 O ATOM 0 H ASP A 55 9.787 0.806 6.380 1.00 0.19 H new ATOM 0 HA ASP A 55 11.598 2.137 6.338 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.586 -0.042 7.322 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.319 -0.283 5.749 1.00 0.36 H new ATOM 817 N VAL A 56 11.077 1.508 3.488 1.00 0.22 N ATOM 818 CA VAL A 56 11.184 1.766 2.077 1.00 0.29 C ATOM 819 C VAL A 56 10.814 3.210 1.774 1.00 0.25 C ATOM 820 O VAL A 56 11.507 3.898 1.018 1.00 0.34 O ATOM 821 CB VAL A 56 10.278 0.779 1.273 1.00 0.42 C ATOM 822 CG1 VAL A 56 8.829 0.847 1.714 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.375 1.041 -0.198 1.00 1.16 C ATOM 0 H VAL A 56 10.143 1.224 3.782 1.00 0.22 H new ATOM 0 HA VAL A 56 12.217 1.607 1.769 1.00 0.29 H new ATOM 0 HB VAL A 56 10.645 -0.226 1.482 1.00 0.42 H new ATOM 0 HG11 VAL A 56 8.237 0.144 1.128 1.00 0.93 H new ATOM 0 HG12 VAL A 56 8.758 0.589 2.771 1.00 0.93 H new ATOM 0 HG13 VAL A 56 8.449 1.857 1.561 1.00 0.93 H new ATOM 0 HG21 VAL A 56 9.735 0.341 -0.735 1.00 1.16 H new ATOM 0 HG22 VAL A 56 10.053 2.061 -0.408 1.00 1.16 H new ATOM 0 HG23 VAL A 56 11.407 0.912 -0.523 1.00 1.16 H new ATOM 833 N LYS A 57 9.739 3.647 2.398 1.00 0.20 N ATOM 834 CA LYS A 57 9.176 4.976 2.211 1.00 0.23 C ATOM 835 C LYS A 57 8.600 5.230 0.803 1.00 0.22 C ATOM 836 O LYS A 57 9.332 5.390 -0.174 1.00 0.31 O ATOM 837 CB LYS A 57 10.151 6.087 2.665 1.00 0.33 C ATOM 838 CG LYS A 57 9.732 7.507 2.278 1.00 0.72 C ATOM 839 CD LYS A 57 10.488 8.550 3.074 1.00 1.20 C ATOM 840 CE LYS A 57 9.991 8.607 4.517 1.00 1.08 C ATOM 841 NZ LYS A 57 8.638 9.181 4.619 1.00 1.48 N ATOM 0 H LYS A 57 9.218 3.078 3.065 1.00 0.20 H new ATOM 0 HA LYS A 57 8.310 5.016 2.871 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.257 6.037 3.749 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.134 5.885 2.239 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.910 7.662 1.214 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.661 7.628 2.443 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.553 8.320 3.062 1.00 1.20 H new ATOM 0 HD3 LYS A 57 10.368 9.527 2.606 1.00 1.20 H new ATOM 0 HE2 LYS A 57 9.990 7.602 4.939 1.00 1.08 H new ATOM 0 HE3 LYS A 57 10.682 9.202 5.114 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 8.140 8.755 5.427 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 8.707 10.209 4.758 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 8.111 8.984 3.744 1.00 1.48 H new ATOM 855 N ILE A 58 7.279 5.201 0.718 1.00 0.18 N ATOM 856 CA ILE A 58 6.576 5.609 -0.495 1.00 0.20 C ATOM 857 C ILE A 58 5.728 6.782 -0.087 1.00 0.22 C ATOM 858 O ILE A 58 4.818 6.624 0.708 1.00 0.34 O ATOM 859 CB ILE A 58 5.576 4.548 -1.127 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.113 3.113 -1.081 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.195 4.948 -2.569 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.021 2.463 0.284 1.00 0.52 C ATOM 0 H ILE A 58 6.667 4.898 1.476 1.00 0.18 H new ATOM 0 HA ILE A 58 7.340 5.788 -1.251 1.00 0.20 H new ATOM 0 HB ILE A 58 4.679 4.560 -0.508 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.561 2.506 -1.799 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.155 3.116 -1.401 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.510 4.208 -2.983 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.712 5.925 -2.560 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.094 4.994 -3.184 1.00 0.28 H new ATOM 0 HD11 ILE A 58 6.421 1.450 0.232 1.00 0.52 H new ATOM 0 HD12 ILE A 58 6.597 3.045 1.004 1.00 0.52 H new ATOM 0 HD13 ILE A 58 4.978 2.426 0.600 1.00 0.52 H new ATOM 874 N PRO A 59 6.039 7.967 -0.536 1.00 0.23 N ATOM 875 CA PRO A 59 5.196 9.117 -0.254 1.00 0.25 C ATOM 876 C PRO A 59 3.858 8.909 -0.956 1.00 0.19 C ATOM 877 O PRO A 59 3.847 8.381 -2.080 1.00 0.19 O ATOM 878 CB PRO A 59 5.954 10.288 -0.905 1.00 0.34 C ATOM 879 CG PRO A 59 7.344 9.782 -1.131 1.00 0.41 C ATOM 880 CD PRO A 59 7.223 8.302 -1.330 1.00 0.34 C ATOM 0 HA PRO A 59 5.004 9.281 0.806 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.486 10.586 -1.844 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.955 11.165 -0.257 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.794 10.256 -2.003 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.984 10.009 -0.279 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.092 8.044 -2.381 1.00 0.34 H new ATOM 0 HD3 PRO A 59 8.109 7.772 -0.980 1.00 0.34 H new ATOM 888 N ASP A 60 2.730 9.287 -0.323 1.00 0.21 N ATOM 889 CA ASP A 60 1.383 9.141 -0.956 1.00 0.26 C ATOM 890 C ASP A 60 1.332 9.750 -2.384 1.00 0.25 C ATOM 891 O ASP A 60 0.538 9.347 -3.209 1.00 0.35 O ATOM 892 CB ASP A 60 0.224 9.707 -0.085 1.00 0.36 C ATOM 893 CG ASP A 60 0.204 11.228 0.029 1.00 0.65 C ATOM 894 OD1 ASP A 60 -0.242 11.911 -0.925 1.00 0.95 O ATOM 895 OD2 ASP A 60 0.656 11.769 1.052 1.00 0.88 O ATOM 0 H ASP A 60 2.712 9.691 0.613 1.00 0.21 H new ATOM 0 HA ASP A 60 1.228 8.065 -1.036 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.725 9.374 -0.505 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.297 9.281 0.916 1.00 0.36 H new ATOM 900 N ASP A 61 2.235 10.658 -2.669 1.00 0.22 N ATOM 901 CA ASP A 61 2.335 11.291 -3.991 1.00 0.26 C ATOM 902 C ASP A 61 2.898 10.315 -5.026 1.00 0.27 C ATOM 903 O ASP A 61 2.555 10.379 -6.191 1.00 0.33 O ATOM 904 CB ASP A 61 3.192 12.562 -3.906 1.00 0.36 C ATOM 905 CG ASP A 61 3.340 13.299 -5.229 1.00 0.75 C ATOM 906 OD1 ASP A 61 2.448 14.098 -5.591 1.00 0.81 O ATOM 907 OD2 ASP A 61 4.332 13.057 -5.957 1.00 1.16 O ATOM 0 H ASP A 61 2.929 10.989 -1.999 1.00 0.22 H new ATOM 0 HA ASP A 61 1.333 11.572 -4.316 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.750 13.237 -3.173 1.00 0.36 H new ATOM 0 HB3 ASP A 61 4.183 12.296 -3.537 1.00 0.36 H new ATOM 912 N ASP A 62 3.728 9.392 -4.586 1.00 0.25 N ATOM 913 CA ASP A 62 4.308 8.374 -5.493 1.00 0.28 C ATOM 914 C ASP A 62 3.354 7.216 -5.564 1.00 0.26 C ATOM 915 O ASP A 62 3.226 6.546 -6.581 1.00 0.36 O ATOM 916 CB ASP A 62 5.681 7.877 -5.039 1.00 0.33 C ATOM 917 CG ASP A 62 6.335 6.983 -6.095 1.00 0.89 C ATOM 918 OD1 ASP A 62 7.007 7.488 -7.003 1.00 1.58 O ATOM 919 OD2 ASP A 62 6.179 5.738 -6.000 1.00 1.58 O ATOM 0 H ASP A 62 4.026 9.310 -3.614 1.00 0.25 H new ATOM 0 HA ASP A 62 4.454 8.837 -6.469 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.327 8.730 -4.833 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.578 7.323 -4.106 1.00 0.33 H new ATOM 924 N VAL A 63 2.635 7.049 -4.461 1.00 0.21 N ATOM 925 CA VAL A 63 1.577 6.053 -4.259 1.00 0.25 C ATOM 926 C VAL A 63 0.544 6.042 -5.404 1.00 0.24 C ATOM 927 O VAL A 63 -0.104 5.032 -5.666 1.00 0.26 O ATOM 928 CB VAL A 63 0.904 6.291 -2.866 1.00 0.40 C ATOM 929 CG1 VAL A 63 -0.420 5.591 -2.694 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.840 5.852 -1.773 1.00 0.73 C ATOM 0 H VAL A 63 2.778 7.633 -3.637 1.00 0.21 H new ATOM 0 HA VAL A 63 2.032 5.063 -4.271 1.00 0.25 H new ATOM 0 HB VAL A 63 0.699 7.360 -2.808 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.820 5.807 -1.703 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -1.119 5.944 -3.452 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.280 4.516 -2.802 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.371 6.018 -0.803 1.00 0.73 H new ATOM 0 HG22 VAL A 63 2.065 4.792 -1.890 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.764 6.427 -1.832 1.00 0.73 H new ATOM 940 N LYS A 64 0.440 7.145 -6.121 1.00 0.29 N ATOM 941 CA LYS A 64 -0.487 7.231 -7.227 1.00 0.37 C ATOM 942 C LYS A 64 -0.052 6.347 -8.384 1.00 0.34 C ATOM 943 O LYS A 64 -0.859 5.941 -9.212 1.00 0.42 O ATOM 944 CB LYS A 64 -0.679 8.653 -7.724 1.00 0.51 C ATOM 945 CG LYS A 64 0.583 9.280 -8.270 1.00 0.58 C ATOM 946 CD LYS A 64 0.333 10.644 -8.860 1.00 0.72 C ATOM 947 CE LYS A 64 -0.309 11.594 -7.863 1.00 0.61 C ATOM 948 NZ LYS A 64 -0.439 12.944 -8.419 1.00 0.87 N ATOM 0 H LYS A 64 0.986 7.991 -5.956 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.443 6.879 -6.841 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.442 8.657 -8.502 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -1.055 9.267 -6.906 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.321 9.361 -7.472 1.00 0.58 H new ATOM 0 HG3 LYS A 64 1.009 8.629 -9.033 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.276 11.067 -9.206 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.312 10.547 -9.733 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -1.293 11.218 -7.582 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.291 11.629 -6.954 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 -0.881 13.569 -7.714 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 0.503 13.310 -8.665 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -1.032 12.912 -9.273 1.00 0.87 H new ATOM 962 N ASN A 65 1.228 6.064 -8.435 1.00 0.30 N ATOM 963 CA ASN A 65 1.761 5.195 -9.473 1.00 0.36 C ATOM 964 C ASN A 65 1.484 3.782 -9.097 1.00 0.34 C ATOM 965 O ASN A 65 1.446 2.900 -9.937 1.00 0.56 O ATOM 966 CB ASN A 65 3.279 5.366 -9.671 1.00 0.49 C ATOM 967 CG ASN A 65 3.679 6.765 -10.054 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.655 7.127 -11.229 1.00 1.09 O ATOM 969 ND2 ASN A 65 4.104 7.538 -9.088 1.00 0.67 N ATOM 0 H ASN A 65 1.922 6.418 -7.776 1.00 0.30 H new ATOM 0 HA ASN A 65 1.276 5.465 -10.411 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.791 5.089 -8.750 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.617 4.675 -10.443 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.432 8.481 -9.296 1.00 0.67 H new ATOM 0 HD22 ASN A 65 4.107 7.198 -8.126 1.00 0.67 H new ATOM 976 N LEU A 66 1.194 3.588 -7.835 1.00 0.22 N ATOM 977 CA LEU A 66 1.040 2.271 -7.274 1.00 0.23 C ATOM 978 C LEU A 66 -0.383 1.933 -7.134 1.00 0.37 C ATOM 979 O LEU A 66 -0.734 1.248 -6.210 1.00 0.89 O ATOM 980 CB LEU A 66 1.636 2.206 -5.889 1.00 0.25 C ATOM 981 CG LEU A 66 3.055 2.691 -5.708 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.446 2.596 -4.260 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.026 1.926 -6.558 1.00 0.31 C ATOM 0 H LEU A 66 1.057 4.345 -7.165 1.00 0.22 H new ATOM 0 HA LEU A 66 1.544 1.578 -7.947 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.997 2.785 -5.222 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.591 1.170 -5.554 1.00 0.25 H new ATOM 0 HG LEU A 66 3.092 3.732 -6.030 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.470 2.947 -4.136 1.00 0.41 H new ATOM 0 HD12 LEU A 66 2.776 3.213 -3.661 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.376 1.559 -3.931 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.033 2.309 -6.395 1.00 0.31 H new ATOM 0 HD22 LEU A 66 3.992 0.870 -6.289 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.760 2.042 -7.609 1.00 0.31 H new ATOM 995 N LYS A 67 -1.197 2.376 -8.045 1.00 0.26 N ATOM 996 CA LYS A 67 -2.606 2.083 -8.009 1.00 0.30 C ATOM 997 C LYS A 67 -2.934 0.663 -8.366 1.00 0.36 C ATOM 998 O LYS A 67 -3.424 0.364 -9.444 1.00 0.72 O ATOM 999 CB LYS A 67 -3.448 3.065 -8.757 1.00 0.45 C ATOM 1000 CG LYS A 67 -3.497 4.416 -8.091 1.00 1.06 C ATOM 1001 CD LYS A 67 -4.461 5.353 -8.779 1.00 1.55 C ATOM 1002 CE LYS A 67 -5.881 4.798 -8.829 1.00 1.97 C ATOM 1003 NZ LYS A 67 -6.802 5.744 -9.475 1.00 2.81 N ATOM 0 H LYS A 67 -0.907 2.951 -8.836 1.00 0.26 H new ATOM 0 HA LYS A 67 -2.876 2.201 -6.960 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -3.057 3.177 -9.768 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -4.461 2.673 -8.849 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -3.791 4.295 -7.048 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.500 4.857 -8.092 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -4.467 6.310 -8.258 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -4.114 5.545 -9.794 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -5.886 3.854 -9.373 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -6.226 4.585 -7.817 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -7.759 5.338 -9.494 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -6.814 6.636 -8.941 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -6.485 5.928 -10.448 1.00 2.81 H new ATOM 1017 N THR A 68 -2.477 -0.161 -7.492 1.00 0.21 N ATOM 1018 CA THR A 68 -2.680 -1.565 -7.347 1.00 0.19 C ATOM 1019 C THR A 68 -1.779 -2.056 -6.261 1.00 0.18 C ATOM 1020 O THR A 68 -0.672 -1.527 -6.086 1.00 0.25 O ATOM 1021 CB THR A 68 -2.446 -2.407 -8.597 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.363 -1.881 -9.382 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.701 -2.574 -9.412 1.00 0.22 C ATOM 0 H THR A 68 -1.862 0.183 -6.754 1.00 0.21 H new ATOM 0 HA THR A 68 -3.739 -1.687 -7.118 1.00 0.19 H new ATOM 0 HB THR A 68 -2.157 -3.405 -8.266 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.233 -2.440 -10.176 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.486 -3.180 -10.292 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.463 -3.067 -8.809 1.00 0.22 H new ATOM 0 HG23 THR A 68 -4.064 -1.595 -9.726 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.213 -3.064 -5.541 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.397 -3.603 -4.463 1.00 0.14 C ATOM 1033 C VAL A 69 -0.075 -4.121 -5.007 1.00 0.16 C ATOM 1034 O VAL A 69 0.981 -3.944 -4.402 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.085 -4.747 -3.736 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.274 -5.093 -2.536 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.493 -4.390 -3.333 1.00 0.15 C ATOM 0 H VAL A 69 -3.112 -3.526 -5.674 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.234 -2.785 -3.761 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.156 -5.602 -4.408 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.751 -5.913 -1.999 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.274 -5.396 -2.847 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.203 -4.224 -1.882 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -3.949 -5.235 -2.816 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.473 -3.526 -2.669 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.076 -4.151 -4.222 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.149 -4.729 -6.149 1.00 0.17 N ATOM 1048 CA GLY A 70 1.002 -5.289 -6.790 1.00 0.20 C ATOM 1049 C GLY A 70 1.986 -4.261 -7.203 1.00 0.16 C ATOM 1050 O GLY A 70 3.175 -4.505 -7.148 1.00 0.17 O ATOM 0 H GLY A 70 -1.018 -4.853 -6.669 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.483 -5.994 -6.112 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.685 -5.855 -7.666 1.00 0.20 H new ATOM 1054 N ASP A 71 1.507 -3.082 -7.562 1.00 0.15 N ATOM 1055 CA ASP A 71 2.404 -2.045 -8.021 1.00 0.16 C ATOM 1056 C ASP A 71 3.133 -1.527 -6.823 1.00 0.14 C ATOM 1057 O ASP A 71 4.347 -1.317 -6.853 1.00 0.15 O ATOM 1058 CB ASP A 71 1.658 -0.898 -8.659 1.00 0.21 C ATOM 1059 CG ASP A 71 2.526 -0.112 -9.645 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.395 0.680 -9.200 1.00 0.46 O ATOM 1061 OD2 ASP A 71 2.346 -0.227 -10.845 1.00 0.62 O ATOM 0 H ASP A 71 0.520 -2.825 -7.544 1.00 0.15 H new ATOM 0 HA ASP A 71 3.078 -2.463 -8.769 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.781 -1.283 -9.179 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.297 -0.225 -7.881 1.00 0.21 H new ATOM 1066 N ALA A 72 2.384 -1.382 -5.732 1.00 0.15 N ATOM 1067 CA ALA A 72 2.933 -0.947 -4.462 1.00 0.16 C ATOM 1068 C ALA A 72 4.011 -1.904 -4.041 1.00 0.15 C ATOM 1069 O ALA A 72 5.146 -1.516 -3.836 1.00 0.17 O ATOM 1070 CB ALA A 72 1.841 -0.936 -3.428 1.00 0.21 C ATOM 0 H ALA A 72 1.381 -1.564 -5.710 1.00 0.15 H new ATOM 0 HA ALA A 72 3.350 0.055 -4.561 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.249 -0.610 -2.471 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.052 -0.251 -3.739 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.429 -1.940 -3.323 1.00 0.21 H new ATOM 1076 N THR A 73 3.650 -3.165 -4.003 1.00 0.14 N ATOM 1077 CA THR A 73 4.529 -4.252 -3.622 1.00 0.16 C ATOM 1078 C THR A 73 5.772 -4.309 -4.540 1.00 0.18 C ATOM 1079 O THR A 73 6.868 -4.612 -4.090 1.00 0.28 O ATOM 1080 CB THR A 73 3.733 -5.579 -3.689 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.559 -5.447 -2.875 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.539 -6.753 -3.179 1.00 0.19 C ATOM 0 H THR A 73 2.708 -3.475 -4.243 1.00 0.14 H new ATOM 0 HA THR A 73 4.887 -4.090 -2.605 1.00 0.16 H new ATOM 0 HB THR A 73 3.481 -5.769 -4.732 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.840 -5.040 -3.402 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.940 -7.661 -3.245 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.439 -6.867 -3.784 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.819 -6.578 -2.140 1.00 0.19 H new ATOM 1090 N LYS A 74 5.584 -3.932 -5.792 1.00 0.15 N ATOM 1091 CA LYS A 74 6.625 -3.963 -6.803 1.00 0.18 C ATOM 1092 C LYS A 74 7.670 -2.903 -6.478 1.00 0.18 C ATOM 1093 O LYS A 74 8.876 -3.153 -6.541 1.00 0.26 O ATOM 1094 CB LYS A 74 6.001 -3.652 -8.164 1.00 0.23 C ATOM 1095 CG LYS A 74 6.851 -4.004 -9.364 1.00 0.39 C ATOM 1096 CD LYS A 74 6.929 -5.508 -9.563 1.00 1.21 C ATOM 1097 CE LYS A 74 5.541 -6.110 -9.795 1.00 1.65 C ATOM 1098 NZ LYS A 74 5.620 -7.531 -10.176 1.00 2.01 N ATOM 0 H LYS A 74 4.688 -3.590 -6.140 1.00 0.15 H new ATOM 0 HA LYS A 74 7.094 -4.946 -6.824 1.00 0.18 H new ATOM 0 HB2 LYS A 74 5.054 -4.187 -8.241 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.770 -2.588 -8.204 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.434 -3.538 -10.257 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.855 -3.600 -9.233 1.00 0.39 H new ATOM 0 HD2 LYS A 74 7.572 -5.732 -10.414 1.00 1.21 H new ATOM 0 HD3 LYS A 74 7.387 -5.970 -8.688 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.944 -6.009 -8.888 1.00 1.65 H new ATOM 0 HE3 LYS A 74 5.028 -5.551 -10.578 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 4.661 -7.904 -10.325 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 6.168 -7.625 -11.055 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 6.087 -8.068 -9.418 1.00 2.01 H new ATOM 1112 N TYR A 75 7.188 -1.730 -6.112 1.00 0.15 N ATOM 1113 CA TYR A 75 8.028 -0.627 -5.771 1.00 0.16 C ATOM 1114 C TYR A 75 8.695 -0.886 -4.441 1.00 0.16 C ATOM 1115 O TYR A 75 9.915 -0.722 -4.294 1.00 0.18 O ATOM 1116 CB TYR A 75 7.178 0.640 -5.694 1.00 0.22 C ATOM 1117 CG TYR A 75 7.923 1.844 -5.205 1.00 0.26 C ATOM 1118 CD1 TYR A 75 8.787 2.520 -6.027 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.766 2.293 -3.915 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.482 3.611 -5.580 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.457 3.386 -3.460 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.314 4.042 -4.295 1.00 0.44 C ATOM 1123 OH TYR A 75 10.016 5.134 -3.840 1.00 0.50 O ATOM 0 H TYR A 75 6.191 -1.527 -6.046 1.00 0.15 H new ATOM 0 HA TYR A 75 8.800 -0.501 -6.531 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.772 0.853 -6.683 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.330 0.457 -5.034 1.00 0.22 H new ATOM 0 HD1 TYR A 75 8.922 2.186 -7.045 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.089 1.777 -3.251 1.00 0.32 H new ATOM 0 HE1 TYR A 75 10.161 4.129 -6.241 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.324 3.727 -2.444 1.00 0.37 H new ATOM 0 HH TYR A 75 9.780 5.309 -2.905 1.00 0.50 H new ATOM 1133 N ILE A 76 7.882 -1.294 -3.491 1.00 0.16 N ATOM 1134 CA ILE A 76 8.303 -1.558 -2.158 1.00 0.18 C ATOM 1135 C ILE A 76 9.395 -2.597 -2.121 1.00 0.21 C ATOM 1136 O ILE A 76 10.505 -2.257 -1.793 1.00 0.32 O ATOM 1137 CB ILE A 76 7.106 -1.952 -1.243 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.172 -0.747 -1.095 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.588 -2.441 0.130 1.00 0.28 C ATOM 1140 CD1 ILE A 76 4.917 -1.007 -0.298 1.00 0.21 C ATOM 0 H ILE A 76 6.886 -1.451 -3.642 1.00 0.16 H new ATOM 0 HA ILE A 76 8.719 -0.632 -1.760 1.00 0.18 H new ATOM 0 HB ILE A 76 6.565 -2.778 -1.705 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.724 0.065 -0.621 1.00 0.20 H new ATOM 0 HG13 ILE A 76 5.888 -0.402 -2.089 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.728 -2.708 0.744 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.227 -3.315 0.001 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.152 -1.648 0.621 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.322 -0.095 -0.249 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.337 -1.794 -0.779 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.185 -1.320 0.711 1.00 0.21 H new ATOM 1152 N LEU A 77 9.075 -3.830 -2.523 1.00 0.19 N ATOM 1153 CA LEU A 77 9.978 -5.002 -2.427 1.00 0.23 C ATOM 1154 C LEU A 77 11.398 -4.694 -2.966 1.00 0.29 C ATOM 1155 O LEU A 77 12.411 -5.102 -2.382 1.00 0.34 O ATOM 1156 CB LEU A 77 9.424 -6.160 -3.258 1.00 0.23 C ATOM 1157 CG LEU A 77 10.174 -7.487 -3.148 1.00 0.34 C ATOM 1158 CD1 LEU A 77 9.839 -8.199 -1.854 1.00 0.92 C ATOM 1159 CD2 LEU A 77 9.897 -8.363 -4.345 1.00 0.87 C ATOM 0 H LEU A 77 8.168 -4.056 -2.932 1.00 0.19 H new ATOM 0 HA LEU A 77 10.039 -5.259 -1.369 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.387 -6.327 -2.965 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.415 -5.857 -4.305 1.00 0.23 H new ATOM 0 HG LEU A 77 11.242 -7.270 -3.135 1.00 0.34 H new ATOM 0 HD11 LEU A 77 10.387 -9.140 -1.804 1.00 0.92 H new ATOM 0 HD12 LEU A 77 10.120 -7.570 -1.009 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.768 -8.401 -1.816 1.00 0.92 H new ATOM 0 HD21 LEU A 77 10.442 -9.301 -4.243 1.00 0.87 H new ATOM 0 HD22 LEU A 77 8.828 -8.569 -4.406 1.00 0.87 H new ATOM 0 HD23 LEU A 77 10.220 -7.852 -5.252 1.00 0.87 H new ATOM 1171 N ASP A 78 11.449 -3.964 -4.071 1.00 0.33 N ATOM 1172 CA ASP A 78 12.708 -3.640 -4.752 1.00 0.41 C ATOM 1173 C ASP A 78 13.504 -2.567 -4.005 1.00 0.45 C ATOM 1174 O ASP A 78 14.721 -2.525 -4.071 1.00 0.53 O ATOM 1175 CB ASP A 78 12.423 -3.187 -6.189 1.00 0.43 C ATOM 1176 CG ASP A 78 13.675 -2.852 -6.973 1.00 0.52 C ATOM 1177 OD1 ASP A 78 14.466 -3.771 -7.273 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.901 -1.657 -7.267 1.00 0.54 O ATOM 0 H ASP A 78 10.622 -3.577 -4.526 1.00 0.33 H new ATOM 0 HA ASP A 78 13.318 -4.543 -4.769 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.877 -3.974 -6.709 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.774 -2.312 -6.164 1.00 0.43 H new ATOM 1183 N HIS A 79 12.799 -1.734 -3.283 1.00 0.41 N ATOM 1184 CA HIS A 79 13.386 -0.620 -2.538 1.00 0.47 C ATOM 1185 C HIS A 79 13.508 -0.931 -1.027 1.00 0.52 C ATOM 1186 O HIS A 79 13.866 -0.051 -0.236 1.00 0.74 O ATOM 1187 CB HIS A 79 12.538 0.650 -2.731 1.00 0.47 C ATOM 1188 CG HIS A 79 12.700 1.383 -4.035 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.217 2.654 -4.109 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.350 1.052 -5.305 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.180 3.073 -5.357 1.00 0.79 C ATOM 1192 NE2 HIS A 79 12.659 2.127 -6.103 1.00 0.67 N ATOM 0 H HIS A 79 11.786 -1.801 -3.187 1.00 0.41 H new ATOM 0 HA HIS A 79 14.390 -0.462 -2.931 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.488 0.377 -2.623 1.00 0.47 H new ATOM 0 HB3 HIS A 79 12.773 1.341 -1.921 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.911 0.119 -5.627 1.00 0.53 H new ATOM 0 HE1 HIS A 79 13.522 4.035 -5.708 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.508 2.181 -7.110 1.00 0.67 H new ATOM 1201 N GLN A 80 13.184 -2.160 -0.635 1.00 0.47 N ATOM 1202 CA GLN A 80 13.148 -2.544 0.786 1.00 0.52 C ATOM 1203 C GLN A 80 14.511 -2.603 1.430 1.00 0.62 C ATOM 1204 O GLN A 80 15.542 -2.755 0.762 1.00 0.89 O ATOM 1205 CB GLN A 80 12.462 -3.894 0.992 1.00 0.64 C ATOM 1206 CG GLN A 80 11.070 -3.931 0.507 1.00 0.53 C ATOM 1207 CD GLN A 80 10.283 -5.070 1.032 1.00 0.58 C ATOM 1208 OE1 GLN A 80 10.294 -6.155 0.496 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.520 -4.797 2.009 1.00 0.53 N ATOM 0 H GLN A 80 12.941 -2.914 -1.278 1.00 0.47 H new ATOM 0 HA GLN A 80 12.575 -1.752 1.269 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.037 -4.666 0.480 1.00 0.64 H new ATOM 0 HB3 GLN A 80 12.474 -4.140 2.054 1.00 0.64 H new ATOM 0 HG2 GLN A 80 10.574 -3.001 0.784 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.076 -3.977 -0.582 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.544 -3.869 2.431 1.00 0.53 H new ATOM 0 HE22 GLN A 80 8.883 -5.506 2.372 1.00 0.53 H new ATOM 1218 N ALA A 81 14.499 -2.525 2.720 1.00 0.73 N ATOM 1219 CA ALA A 81 15.666 -2.657 3.515 1.00 0.89 C ATOM 1220 C ALA A 81 15.401 -3.759 4.507 1.00 1.93 C ATOM 1221 O ALA A 81 15.860 -4.898 4.295 1.00 2.48 O ATOM 1222 CB ALA A 81 15.984 -1.351 4.216 1.00 1.57 C ATOM 1223 OXT ALA A 81 14.637 -3.531 5.456 1.00 2.75 O ATOM 0 H ALA A 81 13.650 -2.363 3.262 1.00 0.73 H new ATOM 0 HA ALA A 81 16.532 -2.902 2.900 1.00 0.89 H new ATOM 0 HB1 ALA A 81 16.883 -1.472 4.821 1.00 1.57 H new ATOM 0 HB2 ALA A 81 16.149 -0.570 3.473 1.00 1.57 H new ATOM 0 HB3 ALA A 81 15.149 -1.070 4.858 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -8.369 9.778 -2.649 1.00 0.86 P HETATM 1231 O26 SXH A 101 -9.510 10.716 -2.616 1.00 1.13 O HETATM 1232 O23 SXH A 101 -7.944 9.226 -3.973 1.00 1.10 O HETATM 1233 O27 SXH A 101 -7.125 10.548 -2.000 1.00 0.87 O HETATM 1234 C28 SXH A 101 -5.856 9.807 -1.790 1.00 0.52 C HETATM 1235 C29 SXH A 101 -4.725 10.719 -1.279 1.00 0.73 C HETATM 1236 C30 SXH A 101 -4.495 11.797 -2.302 1.00 1.22 C HETATM 1237 C31 SXH A 101 -5.157 11.372 0.036 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.393 9.861 -0.997 1.00 1.23 C HETATM 1239 O33 SXH A 101 -3.623 8.978 0.075 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.050 8.954 -2.135 1.00 1.30 C HETATM 1241 O35 SXH A 101 -3.212 7.736 -1.982 1.00 2.26 O HETATM 1242 N36 SXH A 101 -2.573 9.477 -3.218 1.00 0.83 N HETATM 1243 C37 SXH A 101 -2.197 8.713 -4.403 1.00 1.02 C HETATM 1244 C38 SXH A 101 -3.297 8.744 -5.473 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.497 7.812 -5.230 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.541 7.952 -5.864 1.00 1.41 O HETATM 1247 N41 SXH A 101 -4.320 6.893 -4.305 1.00 0.55 N HETATM 1248 C42 SXH A 101 -5.303 5.917 -3.876 1.00 0.93 C HETATM 1249 C43 SXH A 101 -4.653 4.593 -3.673 1.00 0.65 C HETATM 1250 S1 SXH A 101 -4.605 3.812 -5.204 1.00 1.15 S HETATM 1251 C1 SXH A 101 -3.641 2.415 -4.830 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.952 1.264 -5.179 1.00 1.38 O HETATM 1253 C2 SXH A 101 -2.295 2.702 -4.163 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.891 1.662 -3.153 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.545 1.971 -2.526 1.00 0.62 C HETATM 1256 C5 SXH A 101 -0.210 0.970 -1.432 1.00 0.60 C HETATM 1257 C6 SXH A 101 1.156 1.272 -0.862 1.00 0.67 C HETATM 0 HO33 SXH A 101 -4.425 8.445 -0.106 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -3.408 6.865 -3.848 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -2.452 10.489 -3.245 1.00 0.83 H new HETATM 0 H43A SXH A 101 -3.647 4.715 -3.272 1.00 0.65 H new HETATM 0 H42A SXH A 101 -5.773 6.246 -2.949 1.00 0.93 H new HETATM 0 H38A SXH A 101 -3.667 9.766 -5.557 1.00 1.13 H new HETATM 0 H37A SXH A 101 -1.274 9.117 -4.819 1.00 1.02 H new HETATM 0 H31B SXH A 101 -6.056 11.965 -0.130 1.00 1.14 H new HETATM 0 H31A SXH A 101 -5.364 10.598 0.776 1.00 1.14 H new HETATM 0 H30B SXH A 101 -4.211 11.343 -3.251 1.00 1.22 H new HETATM 0 H30A SXH A 101 -5.410 12.374 -2.435 1.00 1.22 H new HETATM 0 H28A SXH A 101 -6.022 9.002 -1.074 1.00 0.52 H new HETATM 0 H6B SXH A 101 1.903 1.205 -1.653 1.00 0.67 H new HETATM 0 H6A SXH A 101 1.161 2.278 -0.443 1.00 0.67 H new HETATM 0 H6 SXH A 101 1.391 0.552 -0.078 1.00 0.67 H new HETATM 0 H5A SXH A 101 -0.961 1.015 -0.643 1.00 0.60 H new HETATM 0 H5 SXH A 101 -0.230 -0.043 -1.835 1.00 0.60 H new HETATM 0 H4A SXH A 101 0.230 1.951 -3.292 1.00 0.62 H new HETATM 0 H43 SXH A 101 -5.213 3.996 -2.953 1.00 0.65 H new HETATM 0 H42 SXH A 101 -6.093 5.833 -4.622 1.00 0.93 H new HETATM 0 H4 SXH A 101 -0.556 2.979 -2.111 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.649 1.601 -2.372 1.00 0.46 H new HETATM 0 H38 SXH A 101 -2.850 8.487 -6.433 1.00 1.13 H new HETATM 0 H37 SXH A 101 -1.994 7.680 -4.120 1.00 1.02 H new HETATM 0 H32 SXH A 101 -2.602 10.589 -0.815 1.00 1.23 H new HETATM 0 H31 SXH A 101 -4.359 12.018 0.401 1.00 1.14 H new HETATM 0 H30 SXH A 101 -3.697 12.457 -1.962 1.00 1.22 H new HETATM 0 H3 SXH A 101 -1.851 0.685 -3.635 1.00 0.46 H new HETATM 0 H2A SXH A 101 -1.525 2.769 -4.931 1.00 0.61 H new HETATM 0 H28 SXH A 101 -5.550 9.342 -2.727 1.00 0.52 H new HETATM 0 H2 SXH A 101 -2.342 3.674 -3.673 1.00 0.61 H new