USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0.702 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.646 X(o=1.3,f=1) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0311 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.984 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0335 K(o=-0.033,f=-1.2!) USER MOD Single : A 30 THR OG1 : rot 87:sc= -0.335 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 36 GLN : amide:sc= -1.41! C(o=-1.4!,f=-6.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 48 ASN : amide:sc= -2.64! C(o=-2.6!,f=-12!) USER MOD Single : A 53 SER OG : rot 2:sc= 0.325 USER MOD Single : A 54 SER OG : rot -73:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 4:sc= 0.673 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 SER OG : rot 34:sc= 0.588 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 72 SER OG : rot -84:sc= 1.31 USER MOD Single : A 81 THR OG1 : rot 62:sc= 0.361 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 90 THR OG1 : rot -44:sc= 0.407 USER MOD Single : A 94 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.9) USER MOD Single : A 98 SER OG : rot 8:sc= 0.133 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0913 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.802 5.336 16.057 1.00 0.00 N ATOM 2 CA ALA A 1 -16.438 4.283 15.234 1.00 0.00 C ATOM 3 C ALA A 1 -15.448 3.156 14.980 1.00 0.00 C ATOM 4 O ALA A 1 -14.259 3.404 14.781 1.00 0.00 O ATOM 5 CB ALA A 1 -16.936 4.858 13.914 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.024 6.270 15.658 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.163 5.281 17.031 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.771 5.198 16.062 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.296 3.887 15.777 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.400 4.067 13.325 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.668 5.641 14.111 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.096 5.278 13.360 1.00 0.00 H new ATOM 11 N ALA A 2 -15.935 1.925 15.000 1.00 0.00 N ATOM 12 CA ALA A 2 -15.089 0.764 14.772 1.00 0.00 C ATOM 13 C ALA A 2 -15.189 0.296 13.320 1.00 0.00 C ATOM 14 O ALA A 2 -16.166 -0.353 12.937 1.00 0.00 O ATOM 15 CB ALA A 2 -15.472 -0.362 15.721 1.00 0.00 C ATOM 0 H ALA A 2 -16.916 1.704 15.173 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.055 1.049 14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.831 -1.225 15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.348 -0.028 16.751 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.512 -0.641 15.553 1.00 0.00 H new ATOM 21 N PRO A 3 -14.186 0.625 12.490 1.00 0.00 N ATOM 22 CA PRO A 3 -14.158 0.241 11.079 1.00 0.00 C ATOM 23 C PRO A 3 -13.739 -1.213 10.896 1.00 0.00 C ATOM 24 O PRO A 3 -13.350 -1.883 11.853 1.00 0.00 O ATOM 25 CB PRO A 3 -13.110 1.179 10.458 1.00 0.00 C ATOM 26 CG PRO A 3 -12.651 2.082 11.562 1.00 0.00 C ATOM 27 CD PRO A 3 -12.995 1.395 12.849 1.00 0.00 C ATOM 0 HA PRO A 3 -15.141 0.326 10.617 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.275 0.612 10.046 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.540 1.754 9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.578 2.262 11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.142 3.053 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.185 0.752 13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.199 2.108 13.648 1.00 0.00 H new ATOM 35 N THR A 4 -13.805 -1.694 9.665 1.00 0.00 N ATOM 36 CA THR A 4 -13.438 -3.063 9.362 1.00 0.00 C ATOM 37 C THR A 4 -12.316 -3.104 8.327 1.00 0.00 C ATOM 38 O THR A 4 -12.542 -2.894 7.135 1.00 0.00 O ATOM 39 CB THR A 4 -14.653 -3.861 8.844 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.774 -3.682 9.725 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.326 -5.339 8.737 1.00 0.00 C ATOM 0 H THR A 4 -14.111 -1.151 8.857 1.00 0.00 H new ATOM 0 HA THR A 4 -13.087 -3.523 10.286 1.00 0.00 H new ATOM 0 HB THR A 4 -14.905 -3.486 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.540 -4.191 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.199 -5.879 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.495 -5.479 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.049 -5.722 9.719 1.00 0.00 H new ATOM 49 N ALA A 5 -11.099 -3.347 8.793 1.00 0.00 N ATOM 50 CA ALA A 5 -9.947 -3.422 7.911 1.00 0.00 C ATOM 51 C ALA A 5 -9.643 -4.871 7.560 1.00 0.00 C ATOM 52 O ALA A 5 -8.791 -5.507 8.180 1.00 0.00 O ATOM 53 CB ALA A 5 -8.741 -2.760 8.553 1.00 0.00 C ATOM 0 H ALA A 5 -10.886 -3.496 9.779 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.179 -2.887 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.888 -2.826 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.965 -1.712 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.503 -3.266 9.489 1.00 0.00 H new ATOM 59 N THR A 6 -10.359 -5.388 6.577 1.00 0.00 N ATOM 60 CA THR A 6 -10.178 -6.759 6.139 1.00 0.00 C ATOM 61 C THR A 6 -9.159 -6.846 5.004 1.00 0.00 C ATOM 62 O THR A 6 -9.457 -6.505 3.858 1.00 0.00 O ATOM 63 CB THR A 6 -11.516 -7.355 5.676 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.439 -6.292 5.392 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.098 -8.270 6.741 1.00 0.00 C ATOM 0 H THR A 6 -11.076 -4.874 6.065 1.00 0.00 H new ATOM 0 HA THR A 6 -9.802 -7.331 6.988 1.00 0.00 H new ATOM 0 HB THR A 6 -11.343 -7.944 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.087 -5.740 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.045 -8.680 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.402 -9.085 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.265 -7.703 7.657 1.00 0.00 H new ATOM 73 N VAL A 7 -7.959 -7.299 5.322 1.00 0.00 N ATOM 74 CA VAL A 7 -6.907 -7.423 4.323 1.00 0.00 C ATOM 75 C VAL A 7 -6.443 -8.872 4.194 1.00 0.00 C ATOM 76 O VAL A 7 -6.515 -9.642 5.152 1.00 0.00 O ATOM 77 CB VAL A 7 -5.693 -6.529 4.659 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.016 -5.066 4.394 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.252 -6.736 6.102 1.00 0.00 C ATOM 0 H VAL A 7 -7.687 -7.587 6.262 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.332 -7.093 3.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.866 -6.817 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.149 -4.452 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.271 -4.934 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.860 -4.762 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.396 -6.096 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.072 -6.481 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.972 -7.779 6.251 1.00 0.00 H new ATOM 89 N THR A 8 -5.998 -9.242 3.003 1.00 0.00 N ATOM 90 CA THR A 8 -5.502 -10.587 2.754 1.00 0.00 C ATOM 91 C THR A 8 -4.037 -10.525 2.325 1.00 0.00 C ATOM 92 O THR A 8 -3.727 -10.508 1.133 1.00 0.00 O ATOM 93 CB THR A 8 -6.334 -11.293 1.667 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.727 -10.993 1.846 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.133 -12.801 1.719 1.00 0.00 C ATOM 0 H THR A 8 -5.970 -8.626 2.190 1.00 0.00 H new ATOM 0 HA THR A 8 -5.590 -11.160 3.677 1.00 0.00 H new ATOM 0 HB THR A 8 -5.999 -10.930 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.251 -11.443 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.732 -13.275 0.941 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.080 -13.033 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.443 -13.176 2.694 1.00 0.00 H new ATOM 103 N PRO A 9 -3.117 -10.467 3.299 1.00 0.00 N ATOM 104 CA PRO A 9 -1.681 -10.377 3.028 1.00 0.00 C ATOM 105 C PRO A 9 -1.088 -11.683 2.506 1.00 0.00 C ATOM 106 O PRO A 9 -1.525 -12.768 2.880 1.00 0.00 O ATOM 107 CB PRO A 9 -1.091 -10.039 4.398 1.00 0.00 C ATOM 108 CG PRO A 9 -2.048 -10.619 5.377 1.00 0.00 C ATOM 109 CD PRO A 9 -3.405 -10.493 4.745 1.00 0.00 C ATOM 0 HA PRO A 9 -1.464 -9.645 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.096 -10.467 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.993 -8.962 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.809 -11.662 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.008 -10.086 6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.049 -11.331 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.914 -9.585 5.068 1.00 0.00 H new ATOM 117 N SER A 10 -0.089 -11.572 1.643 1.00 0.00 N ATOM 118 CA SER A 10 0.571 -12.739 1.076 1.00 0.00 C ATOM 119 C SER A 10 1.832 -13.087 1.868 1.00 0.00 C ATOM 120 O SER A 10 2.951 -12.874 1.405 1.00 0.00 O ATOM 121 CB SER A 10 0.919 -12.470 -0.388 1.00 0.00 C ATOM 122 OG SER A 10 -0.121 -11.744 -1.022 1.00 0.00 O ATOM 0 H SER A 10 0.284 -10.680 1.318 1.00 0.00 H new ATOM 0 HA SER A 10 -0.108 -13.590 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.851 -11.909 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.081 -13.414 -0.909 1.00 0.00 H new ATOM 0 HG SER A 10 0.119 -11.579 -1.958 1.00 0.00 H new ATOM 128 N SER A 11 1.644 -13.613 3.068 1.00 0.00 N ATOM 129 CA SER A 11 2.764 -13.978 3.922 1.00 0.00 C ATOM 130 C SER A 11 3.226 -15.403 3.625 1.00 0.00 C ATOM 131 O SER A 11 2.513 -16.368 3.897 1.00 0.00 O ATOM 132 CB SER A 11 2.368 -13.840 5.393 1.00 0.00 C ATOM 133 OG SER A 11 1.499 -12.732 5.588 1.00 0.00 O ATOM 0 H SER A 11 0.726 -13.797 3.473 1.00 0.00 H new ATOM 0 HA SER A 11 3.594 -13.302 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.877 -14.754 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.263 -13.716 6.003 1.00 0.00 H new ATOM 0 HG SER A 11 1.259 -12.667 6.536 1.00 0.00 H new ATOM 139 N GLY A 12 4.419 -15.524 3.054 1.00 0.00 N ATOM 140 CA GLY A 12 4.961 -16.830 2.728 1.00 0.00 C ATOM 141 C GLY A 12 4.833 -17.142 1.254 1.00 0.00 C ATOM 142 O GLY A 12 5.370 -18.138 0.763 1.00 0.00 O ATOM 0 H GLY A 12 5.022 -14.738 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.011 -16.870 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.441 -17.593 3.307 1.00 0.00 H new ATOM 146 N LEU A 13 4.122 -16.284 0.542 1.00 0.00 N ATOM 147 CA LEU A 13 3.920 -16.463 -0.885 1.00 0.00 C ATOM 148 C LEU A 13 5.008 -15.730 -1.650 1.00 0.00 C ATOM 149 O LEU A 13 5.538 -14.729 -1.172 1.00 0.00 O ATOM 150 CB LEU A 13 2.533 -15.964 -1.292 1.00 0.00 C ATOM 151 CG LEU A 13 1.369 -16.692 -0.611 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.033 -16.123 -1.060 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.429 -18.185 -0.897 1.00 0.00 C ATOM 0 H LEU A 13 3.674 -15.454 0.931 1.00 0.00 H new ATOM 0 HA LEU A 13 3.979 -17.524 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.462 -14.900 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.427 -16.066 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 13 1.462 -16.539 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.776 -16.657 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.017 -15.065 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.067 -16.238 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.594 -18.684 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.368 -18.352 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.368 -18.590 -0.519 1.00 0.00 H new ATOM 165 N SER A 14 5.346 -16.240 -2.823 1.00 0.00 N ATOM 166 CA SER A 14 6.388 -15.649 -3.651 1.00 0.00 C ATOM 167 C SER A 14 5.952 -14.296 -4.218 1.00 0.00 C ATOM 168 O SER A 14 4.782 -13.918 -4.125 1.00 0.00 O ATOM 169 CB SER A 14 6.728 -16.618 -4.782 1.00 0.00 C ATOM 170 OG SER A 14 6.098 -17.875 -4.570 1.00 0.00 O ATOM 0 H SER A 14 4.910 -17.069 -3.227 1.00 0.00 H new ATOM 0 HA SER A 14 7.270 -15.472 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.406 -16.200 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.808 -16.752 -4.841 1.00 0.00 H new ATOM 0 HG SER A 14 6.325 -18.483 -5.304 1.00 0.00 H new ATOM 176 N ASP A 15 6.898 -13.568 -4.802 1.00 0.00 N ATOM 177 CA ASP A 15 6.603 -12.263 -5.381 1.00 0.00 C ATOM 178 C ASP A 15 5.712 -12.425 -6.602 1.00 0.00 C ATOM 179 O ASP A 15 5.694 -13.484 -7.238 1.00 0.00 O ATOM 180 CB ASP A 15 7.891 -11.518 -5.754 1.00 0.00 C ATOM 181 CG ASP A 15 8.418 -11.889 -7.129 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.142 -12.900 -7.240 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.122 -11.170 -8.104 1.00 0.00 O ATOM 0 H ASP A 15 7.872 -13.858 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 15 6.078 -11.669 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.705 -10.444 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.656 -11.733 -5.008 1.00 0.00 H new ATOM 188 N GLY A 16 4.962 -11.386 -6.917 1.00 0.00 N ATOM 189 CA GLY A 16 4.070 -11.444 -8.049 1.00 0.00 C ATOM 190 C GLY A 16 2.670 -11.837 -7.629 1.00 0.00 C ATOM 191 O GLY A 16 1.792 -12.028 -8.469 1.00 0.00 O ATOM 0 H GLY A 16 4.955 -10.502 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.044 -10.473 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.449 -12.162 -8.776 1.00 0.00 H new ATOM 195 N THR A 17 2.468 -11.972 -6.328 1.00 0.00 N ATOM 196 CA THR A 17 1.166 -12.330 -5.793 1.00 0.00 C ATOM 197 C THR A 17 0.305 -11.081 -5.625 1.00 0.00 C ATOM 198 O THR A 17 0.812 -10.008 -5.290 1.00 0.00 O ATOM 199 CB THR A 17 1.295 -13.064 -4.444 1.00 0.00 C ATOM 200 OG1 THR A 17 2.219 -14.153 -4.579 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.055 -13.598 -3.978 1.00 0.00 C ATOM 0 H THR A 17 3.192 -11.838 -5.622 1.00 0.00 H new ATOM 0 HA THR A 17 0.688 -13.006 -6.502 1.00 0.00 H new ATOM 0 HB THR A 17 1.659 -12.355 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.126 -13.800 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.066 -14.111 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.752 -12.769 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.445 -14.296 -4.718 1.00 0.00 H new ATOM 209 N VAL A 18 -0.988 -11.221 -5.880 1.00 0.00 N ATOM 210 CA VAL A 18 -1.911 -10.106 -5.767 1.00 0.00 C ATOM 211 C VAL A 18 -2.533 -10.054 -4.373 1.00 0.00 C ATOM 212 O VAL A 18 -3.244 -10.968 -3.962 1.00 0.00 O ATOM 213 CB VAL A 18 -3.026 -10.188 -6.829 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.825 -8.901 -6.853 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.438 -10.478 -8.202 1.00 0.00 C ATOM 0 H VAL A 18 -1.420 -12.099 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.338 -9.194 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.695 -11.007 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.609 -8.973 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.277 -8.735 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.165 -8.068 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.241 -10.532 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.747 -9.682 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.905 -11.428 -8.176 1.00 0.00 H new ATOM 225 N VAL A 19 -2.249 -8.980 -3.653 1.00 0.00 N ATOM 226 CA VAL A 19 -2.765 -8.786 -2.305 1.00 0.00 C ATOM 227 C VAL A 19 -4.118 -8.086 -2.354 1.00 0.00 C ATOM 228 O VAL A 19 -4.280 -7.083 -3.054 1.00 0.00 O ATOM 229 CB VAL A 19 -1.792 -7.943 -1.454 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.254 -7.874 -0.004 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.379 -8.499 -1.543 1.00 0.00 C ATOM 0 H VAL A 19 -1.656 -8.219 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.874 -9.769 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.786 -6.929 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.551 -7.274 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.243 -7.418 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.299 -8.881 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.291 -7.890 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.368 -9.526 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.045 -8.481 -2.581 1.00 0.00 H new ATOM 241 N LYS A 20 -5.085 -8.620 -1.620 1.00 0.00 N ATOM 242 CA LYS A 20 -6.422 -8.043 -1.581 1.00 0.00 C ATOM 243 C LYS A 20 -6.597 -7.147 -0.360 1.00 0.00 C ATOM 244 O LYS A 20 -6.337 -7.559 0.772 1.00 0.00 O ATOM 245 CB LYS A 20 -7.484 -9.143 -1.557 1.00 0.00 C ATOM 246 CG LYS A 20 -8.898 -8.608 -1.393 1.00 0.00 C ATOM 247 CD LYS A 20 -9.894 -9.725 -1.128 1.00 0.00 C ATOM 248 CE LYS A 20 -10.275 -10.451 -2.407 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.379 -11.422 -2.189 1.00 0.00 N ATOM 0 H LYS A 20 -4.968 -9.453 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.546 -7.441 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.425 -9.716 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.266 -9.832 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.924 -7.894 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.189 -8.067 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.466 -10.435 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.789 -9.312 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.576 -9.723 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.404 -10.975 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.608 -11.895 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.084 -12.132 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.219 -10.919 -1.839 1.00 0.00 H new ATOM 263 N VAL A 21 -7.039 -5.922 -0.601 1.00 0.00 N ATOM 264 CA VAL A 21 -7.277 -4.964 0.466 1.00 0.00 C ATOM 265 C VAL A 21 -8.728 -4.491 0.418 1.00 0.00 C ATOM 266 O VAL A 21 -9.139 -3.838 -0.541 1.00 0.00 O ATOM 267 CB VAL A 21 -6.326 -3.749 0.358 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.673 -2.694 1.396 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.875 -4.187 0.512 1.00 0.00 C ATOM 0 H VAL A 21 -7.241 -5.566 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.082 -5.460 1.417 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.453 -3.310 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.990 -1.850 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.696 -2.352 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.582 -3.122 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.222 -3.318 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.738 -4.656 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.625 -4.901 -0.273 1.00 0.00 H new ATOM 279 N ALA A 22 -9.504 -4.842 1.436 1.00 0.00 N ATOM 280 CA ALA A 22 -10.906 -4.455 1.495 1.00 0.00 C ATOM 281 C ALA A 22 -11.209 -3.716 2.791 1.00 0.00 C ATOM 282 O ALA A 22 -11.348 -4.328 3.855 1.00 0.00 O ATOM 283 CB ALA A 22 -11.798 -5.679 1.355 1.00 0.00 C ATOM 0 H ALA A 22 -9.185 -5.394 2.232 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.111 -3.779 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.844 -5.374 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.603 -6.164 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.588 -6.377 2.165 1.00 0.00 H new ATOM 289 N GLY A 23 -11.288 -2.399 2.701 1.00 0.00 N ATOM 290 CA GLY A 23 -11.569 -1.594 3.868 1.00 0.00 C ATOM 291 C GLY A 23 -13.011 -1.138 3.918 1.00 0.00 C ATOM 292 O GLY A 23 -13.516 -0.551 2.959 1.00 0.00 O ATOM 0 H GLY A 23 -11.162 -1.872 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.341 -2.168 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.914 -0.722 3.872 1.00 0.00 H new ATOM 296 N ALA A 24 -13.672 -1.419 5.028 1.00 0.00 N ATOM 297 CA ALA A 24 -15.057 -1.029 5.218 1.00 0.00 C ATOM 298 C ALA A 24 -15.171 -0.146 6.451 1.00 0.00 C ATOM 299 O ALA A 24 -14.351 -0.243 7.364 1.00 0.00 O ATOM 300 CB ALA A 24 -15.941 -2.258 5.359 1.00 0.00 C ATOM 0 H ALA A 24 -13.266 -1.921 5.818 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.393 -0.469 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.976 -1.947 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.865 -2.866 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.617 -2.843 6.220 1.00 0.00 H new ATOM 306 N GLY A 25 -16.188 0.702 6.483 1.00 0.00 N ATOM 307 CA GLY A 25 -16.368 1.599 7.608 1.00 0.00 C ATOM 308 C GLY A 25 -15.495 2.827 7.469 1.00 0.00 C ATOM 309 O GLY A 25 -15.056 3.413 8.461 1.00 0.00 O ATOM 0 H GLY A 25 -16.893 0.786 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.414 1.898 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.125 1.079 8.535 1.00 0.00 H new ATOM 313 N LEU A 26 -15.235 3.204 6.225 1.00 0.00 N ATOM 314 CA LEU A 26 -14.404 4.357 5.923 1.00 0.00 C ATOM 315 C LEU A 26 -15.268 5.533 5.485 1.00 0.00 C ATOM 316 O LEU A 26 -16.499 5.482 5.581 1.00 0.00 O ATOM 317 CB LEU A 26 -13.395 4.002 4.828 1.00 0.00 C ATOM 318 CG LEU A 26 -12.494 2.802 5.136 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.596 2.490 3.948 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.653 3.058 6.382 1.00 0.00 C ATOM 0 H LEU A 26 -15.593 2.721 5.401 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.861 4.644 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.940 3.800 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.764 4.871 4.642 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.133 1.940 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.963 1.635 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.211 2.257 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.970 3.355 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.022 2.191 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.026 3.935 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.309 3.231 7.235 1.00 0.00 H new ATOM 332 N GLN A 27 -14.623 6.585 5.006 1.00 0.00 N ATOM 333 CA GLN A 27 -15.326 7.777 4.559 1.00 0.00 C ATOM 334 C GLN A 27 -15.676 7.660 3.078 1.00 0.00 C ATOM 335 O GLN A 27 -14.789 7.652 2.223 1.00 0.00 O ATOM 336 CB GLN A 27 -14.460 9.016 4.804 1.00 0.00 C ATOM 337 CG GLN A 27 -15.252 10.297 4.996 1.00 0.00 C ATOM 338 CD GLN A 27 -15.868 10.405 6.374 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.365 9.836 7.347 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.959 11.142 6.467 1.00 0.00 N ATOM 0 H GLN A 27 -13.608 6.637 4.917 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.251 7.875 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.844 8.847 5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.781 9.144 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.597 11.152 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.041 10.347 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.341 11.595 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.420 11.259 7.369 1.00 0.00 H new ATOM 349 N ALA A 28 -16.967 7.557 2.783 1.00 0.00 N ATOM 350 CA ALA A 28 -17.443 7.433 1.406 1.00 0.00 C ATOM 351 C ALA A 28 -17.056 8.644 0.559 1.00 0.00 C ATOM 352 O ALA A 28 -17.231 9.792 0.977 1.00 0.00 O ATOM 353 CB ALA A 28 -18.951 7.243 1.390 1.00 0.00 C ATOM 0 H ALA A 28 -17.709 7.557 3.483 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.963 6.558 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.295 7.152 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.210 6.338 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.431 8.102 1.858 1.00 0.00 H new ATOM 359 N GLY A 29 -16.524 8.384 -0.633 1.00 0.00 N ATOM 360 CA GLY A 29 -16.134 9.462 -1.525 1.00 0.00 C ATOM 361 C GLY A 29 -14.634 9.690 -1.567 1.00 0.00 C ATOM 362 O GLY A 29 -14.090 10.115 -2.589 1.00 0.00 O ATOM 0 H GLY A 29 -16.356 7.446 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.489 9.239 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.626 10.382 -1.210 1.00 0.00 H new ATOM 366 N THR A 30 -13.963 9.406 -0.461 1.00 0.00 N ATOM 367 CA THR A 30 -12.522 9.588 -0.369 1.00 0.00 C ATOM 368 C THR A 30 -11.776 8.531 -1.180 1.00 0.00 C ATOM 369 O THR A 30 -12.236 7.391 -1.307 1.00 0.00 O ATOM 370 CB THR A 30 -12.057 9.517 1.098 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.158 9.797 1.970 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.930 10.504 1.368 1.00 0.00 C ATOM 0 H THR A 30 -14.396 9.047 0.390 1.00 0.00 H new ATOM 0 HA THR A 30 -12.294 10.573 -0.777 1.00 0.00 H new ATOM 0 HB THR A 30 -11.683 8.510 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.648 8.969 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.624 10.430 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.082 10.273 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.276 11.517 1.163 1.00 0.00 H new ATOM 380 N ALA A 31 -10.645 8.922 -1.752 1.00 0.00 N ATOM 381 CA ALA A 31 -9.828 8.005 -2.529 1.00 0.00 C ATOM 382 C ALA A 31 -8.685 7.479 -1.670 1.00 0.00 C ATOM 383 O ALA A 31 -7.925 8.259 -1.092 1.00 0.00 O ATOM 384 CB ALA A 31 -9.292 8.683 -3.782 1.00 0.00 C ATOM 0 H ALA A 31 -10.274 9.870 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.448 7.166 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.684 7.976 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.126 9.018 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.682 9.541 -3.499 1.00 0.00 H new ATOM 390 N TYR A 32 -8.585 6.161 -1.567 1.00 0.00 N ATOM 391 CA TYR A 32 -7.542 5.535 -0.769 1.00 0.00 C ATOM 392 C TYR A 32 -6.464 4.951 -1.673 1.00 0.00 C ATOM 393 O TYR A 32 -6.727 4.061 -2.485 1.00 0.00 O ATOM 394 CB TYR A 32 -8.139 4.448 0.134 1.00 0.00 C ATOM 395 CG TYR A 32 -9.014 4.998 1.243 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.300 5.462 0.981 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.548 5.066 2.548 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.095 5.970 1.992 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.339 5.574 3.564 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.610 6.027 3.281 1.00 0.00 C ATOM 401 OH TYR A 32 -11.400 6.542 4.286 1.00 0.00 O ATOM 0 H TYR A 32 -9.215 5.504 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.085 6.294 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.727 3.762 -0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.329 3.867 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.683 5.425 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.552 4.717 2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.093 6.321 1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.962 5.615 4.575 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.911 6.510 5.135 1.00 0.00 H new ATOM 411 N ASP A 33 -5.252 5.470 -1.535 1.00 0.00 N ATOM 412 CA ASP A 33 -4.123 5.017 -2.336 1.00 0.00 C ATOM 413 C ASP A 33 -3.477 3.808 -1.684 1.00 0.00 C ATOM 414 O ASP A 33 -3.083 3.866 -0.520 1.00 0.00 O ATOM 415 CB ASP A 33 -3.098 6.139 -2.493 1.00 0.00 C ATOM 416 CG ASP A 33 -2.021 5.804 -3.504 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.367 5.408 -4.635 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.826 5.957 -3.180 1.00 0.00 O ATOM 0 H ASP A 33 -5.024 6.210 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.485 4.736 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.608 7.052 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.635 6.341 -1.527 1.00 0.00 H new ATOM 423 N VAL A 34 -3.391 2.712 -2.425 1.00 0.00 N ATOM 424 CA VAL A 34 -2.811 1.483 -1.898 1.00 0.00 C ATOM 425 C VAL A 34 -1.722 0.929 -2.817 1.00 0.00 C ATOM 426 O VAL A 34 -1.880 0.898 -4.042 1.00 0.00 O ATOM 427 CB VAL A 34 -3.888 0.392 -1.707 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.387 -0.711 -0.787 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.184 0.982 -1.170 1.00 0.00 C ATOM 0 H VAL A 34 -3.714 2.648 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.372 1.742 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.093 -0.041 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.164 -1.467 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.497 -1.169 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.141 -0.288 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.921 0.189 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.996 1.456 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.564 1.725 -1.872 1.00 0.00 H new ATOM 439 N GLY A 35 -0.615 0.507 -2.217 1.00 0.00 N ATOM 440 CA GLY A 35 0.475 -0.070 -2.974 1.00 0.00 C ATOM 441 C GLY A 35 1.456 -0.787 -2.072 1.00 0.00 C ATOM 442 O GLY A 35 1.309 -0.759 -0.851 1.00 0.00 O ATOM 0 H GLY A 35 -0.454 0.556 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.078 -0.769 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.992 0.715 -3.525 1.00 0.00 H new ATOM 446 N GLN A 36 2.441 -1.450 -2.658 1.00 0.00 N ATOM 447 CA GLN A 36 3.452 -2.144 -1.874 1.00 0.00 C ATOM 448 C GLN A 36 4.490 -1.133 -1.414 1.00 0.00 C ATOM 449 O GLN A 36 5.063 -0.411 -2.231 1.00 0.00 O ATOM 450 CB GLN A 36 4.116 -3.261 -2.683 1.00 0.00 C ATOM 451 CG GLN A 36 4.622 -2.818 -4.049 1.00 0.00 C ATOM 452 CD GLN A 36 5.588 -3.808 -4.672 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.611 -3.982 -5.886 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.398 -4.459 -3.850 1.00 0.00 N ATOM 0 H GLN A 36 2.562 -1.522 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 36 2.976 -2.609 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.952 -3.663 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.401 -4.073 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.772 -2.678 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.114 -1.850 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.350 -4.288 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.069 -5.131 -4.222 1.00 0.00 H new ATOM 463 N CYS A 37 4.718 -1.066 -0.115 1.00 0.00 N ATOM 464 CA CYS A 37 5.660 -0.110 0.435 1.00 0.00 C ATOM 465 C CYS A 37 6.677 -0.780 1.349 1.00 0.00 C ATOM 466 O CYS A 37 6.491 -1.917 1.785 1.00 0.00 O ATOM 467 CB CYS A 37 4.894 0.971 1.202 1.00 0.00 C ATOM 468 SG CYS A 37 3.201 1.249 0.581 1.00 0.00 S ATOM 0 H CYS A 37 4.264 -1.662 0.578 1.00 0.00 H new ATOM 0 HA CYS A 37 6.211 0.340 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.844 0.691 2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.450 1.907 1.147 1.00 0.00 H new ATOM 473 N ALA A 38 7.762 -0.069 1.617 1.00 0.00 N ATOM 474 CA ALA A 38 8.819 -0.555 2.490 1.00 0.00 C ATOM 475 C ALA A 38 9.666 0.622 2.957 1.00 0.00 C ATOM 476 O ALA A 38 9.433 1.756 2.529 1.00 0.00 O ATOM 477 CB ALA A 38 9.672 -1.594 1.770 1.00 0.00 C ATOM 0 H ALA A 38 7.934 0.861 1.235 1.00 0.00 H new ATOM 0 HA ALA A 38 8.377 -1.039 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.458 -1.946 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.046 -2.435 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.123 -1.145 0.885 1.00 0.00 H new ATOM 483 N TRP A 39 10.626 0.362 3.837 1.00 0.00 N ATOM 484 CA TRP A 39 11.498 1.412 4.357 1.00 0.00 C ATOM 485 C TRP A 39 12.434 1.925 3.274 1.00 0.00 C ATOM 486 O TRP A 39 13.351 1.227 2.845 1.00 0.00 O ATOM 487 CB TRP A 39 12.314 0.904 5.548 1.00 0.00 C ATOM 488 CG TRP A 39 11.716 1.249 6.877 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.925 2.323 7.175 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.873 0.518 8.097 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.577 2.296 8.503 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.148 1.200 9.090 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.552 -0.653 8.444 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.090 0.756 10.406 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.493 -1.093 9.754 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.764 -0.390 10.719 1.00 0.00 C ATOM 0 H TRP A 39 10.822 -0.568 4.207 1.00 0.00 H new ATOM 0 HA TRP A 39 10.863 2.233 4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.413 -0.179 5.474 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.320 1.321 5.493 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.619 3.081 6.470 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.988 2.982 8.975 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.112 -1.204 7.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.532 1.298 11.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.018 -1.994 10.036 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.733 -0.761 11.733 1.00 0.00 H new ATOM 507 N VAL A 40 12.198 3.149 2.837 1.00 0.00 N ATOM 508 CA VAL A 40 13.018 3.763 1.808 1.00 0.00 C ATOM 509 C VAL A 40 14.115 4.616 2.447 1.00 0.00 C ATOM 510 O VAL A 40 15.115 4.958 1.810 1.00 0.00 O ATOM 511 CB VAL A 40 12.155 4.615 0.847 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.751 5.941 1.478 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.875 4.835 -0.473 1.00 0.00 C ATOM 0 H VAL A 40 11.441 3.740 3.181 1.00 0.00 H new ATOM 0 HA VAL A 40 13.486 2.971 1.224 1.00 0.00 H new ATOM 0 HB VAL A 40 11.239 4.059 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.146 6.510 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.172 5.752 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.645 6.511 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.250 5.436 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.816 5.355 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.077 3.872 -0.942 1.00 0.00 H new ATOM 523 N ASP A 41 13.928 4.927 3.722 1.00 0.00 N ATOM 524 CA ASP A 41 14.882 5.732 4.473 1.00 0.00 C ATOM 525 C ASP A 41 14.800 5.369 5.952 1.00 0.00 C ATOM 526 O ASP A 41 14.226 4.339 6.307 1.00 0.00 O ATOM 527 CB ASP A 41 14.606 7.228 4.266 1.00 0.00 C ATOM 528 CG ASP A 41 15.830 8.089 4.500 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.594 8.324 3.544 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.034 8.533 5.646 1.00 0.00 O ATOM 0 H ASP A 41 13.116 4.631 4.263 1.00 0.00 H new ATOM 0 HA ASP A 41 15.889 5.524 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.243 7.389 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.811 7.543 4.942 1.00 0.00 H new ATOM 535 N THR A 42 15.355 6.210 6.812 1.00 0.00 N ATOM 536 CA THR A 42 15.337 5.958 8.243 1.00 0.00 C ATOM 537 C THR A 42 13.974 6.306 8.841 1.00 0.00 C ATOM 538 O THR A 42 13.747 7.433 9.284 1.00 0.00 O ATOM 539 CB THR A 42 16.428 6.771 8.961 1.00 0.00 C ATOM 540 OG1 THR A 42 17.523 7.006 8.065 1.00 0.00 O ATOM 541 CG2 THR A 42 16.929 6.038 10.197 1.00 0.00 C ATOM 0 H THR A 42 15.824 7.074 6.542 1.00 0.00 H new ATOM 0 HA THR A 42 15.532 4.895 8.388 1.00 0.00 H new ATOM 0 HB THR A 42 15.997 7.722 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.216 7.525 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.699 6.634 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.100 5.880 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.347 5.075 9.904 1.00 0.00 H new ATOM 549 N GLY A 43 13.064 5.340 8.824 1.00 0.00 N ATOM 550 CA GLY A 43 11.731 5.554 9.363 1.00 0.00 C ATOM 551 C GLY A 43 10.743 5.975 8.294 1.00 0.00 C ATOM 552 O GLY A 43 9.530 5.958 8.508 1.00 0.00 O ATOM 0 H GLY A 43 13.225 4.407 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.381 4.637 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.773 6.319 10.138 1.00 0.00 H new ATOM 556 N VAL A 44 11.265 6.340 7.134 1.00 0.00 N ATOM 557 CA VAL A 44 10.435 6.773 6.025 1.00 0.00 C ATOM 558 C VAL A 44 10.064 5.592 5.136 1.00 0.00 C ATOM 559 O VAL A 44 10.927 4.816 4.719 1.00 0.00 O ATOM 560 CB VAL A 44 11.143 7.843 5.174 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.158 8.525 4.237 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.834 8.863 6.060 1.00 0.00 C ATOM 0 H VAL A 44 12.266 6.344 6.937 1.00 0.00 H new ATOM 0 HA VAL A 44 9.531 7.207 6.452 1.00 0.00 H new ATOM 0 HB VAL A 44 11.902 7.348 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.680 9.277 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.715 7.783 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.372 9.004 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.328 9.610 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.096 9.351 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.575 8.362 6.682 1.00 0.00 H new ATOM 572 N LEU A 45 8.779 5.457 4.864 1.00 0.00 N ATOM 573 CA LEU A 45 8.282 4.383 4.023 1.00 0.00 C ATOM 574 C LEU A 45 7.891 4.935 2.659 1.00 0.00 C ATOM 575 O LEU A 45 7.557 6.113 2.535 1.00 0.00 O ATOM 576 CB LEU A 45 7.079 3.704 4.687 1.00 0.00 C ATOM 577 CG LEU A 45 7.391 2.961 5.988 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.218 3.054 6.952 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.726 1.507 5.698 1.00 0.00 C ATOM 0 H LEU A 45 8.055 6.083 5.217 1.00 0.00 H new ATOM 0 HA LEU A 45 9.069 3.641 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.321 4.460 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.643 2.999 3.979 1.00 0.00 H new ATOM 0 HG LEU A 45 8.256 3.431 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.459 2.520 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.018 4.101 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.335 2.609 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.946 0.991 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.877 1.028 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.596 1.458 5.043 1.00 0.00 H new ATOM 591 N ALA A 46 7.963 4.096 1.637 1.00 0.00 N ATOM 592 CA ALA A 46 7.607 4.507 0.284 1.00 0.00 C ATOM 593 C ALA A 46 7.015 3.339 -0.493 1.00 0.00 C ATOM 594 O ALA A 46 7.437 2.196 -0.313 1.00 0.00 O ATOM 595 CB ALA A 46 8.825 5.060 -0.432 1.00 0.00 C ATOM 0 H ALA A 46 8.265 3.125 1.717 1.00 0.00 H new ATOM 0 HA ALA A 46 6.853 5.291 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.547 5.364 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.208 5.922 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.597 4.292 -0.484 1.00 0.00 H new ATOM 601 N CYS A 47 6.048 3.623 -1.357 1.00 0.00 N ATOM 602 CA CYS A 47 5.395 2.577 -2.140 1.00 0.00 C ATOM 603 C CYS A 47 5.793 2.650 -3.604 1.00 0.00 C ATOM 604 O CYS A 47 6.389 3.627 -4.047 1.00 0.00 O ATOM 605 CB CYS A 47 3.874 2.689 -2.023 1.00 0.00 C ATOM 606 SG CYS A 47 3.283 3.054 -0.344 1.00 0.00 S ATOM 0 H CYS A 47 5.698 4.565 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 47 5.722 1.618 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.525 3.471 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.425 1.755 -2.359 1.00 0.00 H new ATOM 611 N ASN A 48 5.461 1.601 -4.342 1.00 0.00 N ATOM 612 CA ASN A 48 5.767 1.525 -5.764 1.00 0.00 C ATOM 613 C ASN A 48 4.735 2.288 -6.587 1.00 0.00 C ATOM 614 O ASN A 48 3.541 2.013 -6.498 1.00 0.00 O ATOM 615 CB ASN A 48 5.800 0.069 -6.218 1.00 0.00 C ATOM 616 CG ASN A 48 6.058 -0.068 -7.704 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.167 -0.443 -8.462 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.266 0.259 -8.131 1.00 0.00 N ATOM 0 H ASN A 48 4.975 0.783 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 48 6.745 1.979 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.576 -0.463 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.851 -0.407 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.488 0.205 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.976 0.566 -7.466 1.00 0.00 H new ATOM 625 N PRO A 49 5.185 3.242 -7.415 1.00 0.00 N ATOM 626 CA PRO A 49 4.303 4.060 -8.254 1.00 0.00 C ATOM 627 C PRO A 49 3.967 3.408 -9.595 1.00 0.00 C ATOM 628 O PRO A 49 3.596 4.094 -10.548 1.00 0.00 O ATOM 629 CB PRO A 49 5.149 5.304 -8.478 1.00 0.00 C ATOM 630 CG PRO A 49 6.542 4.780 -8.555 1.00 0.00 C ATOM 631 CD PRO A 49 6.602 3.624 -7.589 1.00 0.00 C ATOM 0 HA PRO A 49 3.334 4.232 -7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.865 5.821 -9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.035 6.017 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.782 4.456 -9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.265 5.551 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.193 2.799 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.058 3.916 -6.643 1.00 0.00 H new ATOM 639 N ALA A 50 4.093 2.093 -9.671 1.00 0.00 N ATOM 640 CA ALA A 50 3.800 1.382 -10.908 1.00 0.00 C ATOM 641 C ALA A 50 2.637 0.414 -10.734 1.00 0.00 C ATOM 642 O ALA A 50 1.631 0.505 -11.437 1.00 0.00 O ATOM 643 CB ALA A 50 5.035 0.646 -11.408 1.00 0.00 C ATOM 0 H ALA A 50 4.394 1.499 -8.898 1.00 0.00 H new ATOM 0 HA ALA A 50 3.508 2.122 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.796 0.121 -12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.835 1.362 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.359 -0.073 -10.656 1.00 0.00 H new ATOM 649 N ASP A 51 2.770 -0.499 -9.783 1.00 0.00 N ATOM 650 CA ASP A 51 1.733 -1.493 -9.530 1.00 0.00 C ATOM 651 C ASP A 51 0.764 -1.026 -8.451 1.00 0.00 C ATOM 652 O ASP A 51 0.070 -1.830 -7.831 1.00 0.00 O ATOM 653 CB ASP A 51 2.358 -2.827 -9.125 1.00 0.00 C ATOM 654 CG ASP A 51 1.840 -3.971 -9.962 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.649 -4.319 -9.840 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.621 -4.531 -10.757 1.00 0.00 O ATOM 0 H ASP A 51 3.584 -0.573 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 51 1.173 -1.626 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.442 -2.765 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.147 -3.022 -8.074 1.00 0.00 H new ATOM 661 N PHE A 52 0.714 0.278 -8.234 1.00 0.00 N ATOM 662 CA PHE A 52 -0.182 0.850 -7.241 1.00 0.00 C ATOM 663 C PHE A 52 -1.595 0.944 -7.812 1.00 0.00 C ATOM 664 O PHE A 52 -1.783 0.876 -9.032 1.00 0.00 O ATOM 665 CB PHE A 52 0.306 2.241 -6.814 1.00 0.00 C ATOM 666 CG PHE A 52 -0.010 3.328 -7.810 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.658 3.395 -9.021 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.981 4.277 -7.534 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.367 4.388 -9.938 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.276 5.272 -8.448 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.602 5.326 -9.650 1.00 0.00 C ATOM 0 H PHE A 52 1.284 0.962 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.192 0.203 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.146 2.496 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.384 2.206 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.416 2.662 -9.252 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.513 4.239 -6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.897 4.429 -10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.034 6.007 -8.221 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.833 6.102 -10.365 1.00 0.00 H new ATOM 681 N SER A 53 -2.578 1.091 -6.940 1.00 0.00 N ATOM 682 CA SER A 53 -3.967 1.205 -7.360 1.00 0.00 C ATOM 683 C SER A 53 -4.786 1.915 -6.289 1.00 0.00 C ATOM 684 O SER A 53 -5.056 1.356 -5.226 1.00 0.00 O ATOM 685 CB SER A 53 -4.564 -0.176 -7.656 1.00 0.00 C ATOM 686 OG SER A 53 -3.898 -0.805 -8.746 1.00 0.00 O ATOM 0 H SER A 53 -2.440 1.135 -5.930 1.00 0.00 H new ATOM 0 HA SER A 53 -3.999 1.794 -8.277 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.488 -0.805 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.625 -0.074 -7.885 1.00 0.00 H new ATOM 0 HG SER A 53 -3.176 -0.225 -9.066 1.00 0.00 H new ATOM 692 N SER A 54 -5.158 3.152 -6.563 1.00 0.00 N ATOM 693 CA SER A 54 -5.940 3.937 -5.627 1.00 0.00 C ATOM 694 C SER A 54 -7.425 3.693 -5.859 1.00 0.00 C ATOM 695 O SER A 54 -7.943 3.946 -6.950 1.00 0.00 O ATOM 696 CB SER A 54 -5.607 5.418 -5.795 1.00 0.00 C ATOM 697 OG SER A 54 -4.323 5.577 -6.382 1.00 0.00 O ATOM 0 H SER A 54 -4.929 3.636 -7.431 1.00 0.00 H new ATOM 0 HA SER A 54 -5.695 3.636 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.361 5.897 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.634 5.915 -4.825 1.00 0.00 H new ATOM 0 HG SER A 54 -3.632 5.350 -5.725 1.00 0.00 H new ATOM 703 N VAL A 55 -8.103 3.188 -4.844 1.00 0.00 N ATOM 704 CA VAL A 55 -9.524 2.901 -4.946 1.00 0.00 C ATOM 705 C VAL A 55 -10.322 3.855 -4.061 1.00 0.00 C ATOM 706 O VAL A 55 -9.949 4.116 -2.916 1.00 0.00 O ATOM 707 CB VAL A 55 -9.833 1.429 -4.568 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.343 1.106 -3.164 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.320 1.129 -4.701 1.00 0.00 C ATOM 0 H VAL A 55 -7.692 2.967 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.821 3.048 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.294 0.790 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.574 0.067 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.265 1.259 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.838 1.760 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.507 0.090 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.884 1.785 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.634 1.297 -5.731 1.00 0.00 H new ATOM 719 N THR A 56 -11.393 4.407 -4.605 1.00 0.00 N ATOM 720 CA THR A 56 -12.221 5.326 -3.854 1.00 0.00 C ATOM 721 C THR A 56 -13.340 4.580 -3.135 1.00 0.00 C ATOM 722 O THR A 56 -13.844 3.566 -3.623 1.00 0.00 O ATOM 723 CB THR A 56 -12.802 6.442 -4.761 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.228 7.559 -3.968 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.974 5.935 -5.596 1.00 0.00 C ATOM 0 H THR A 56 -11.706 4.234 -5.560 1.00 0.00 H new ATOM 0 HA THR A 56 -11.587 5.804 -3.107 1.00 0.00 H new ATOM 0 HB THR A 56 -12.009 6.756 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.996 7.401 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.355 6.745 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.640 5.115 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.766 5.582 -4.935 1.00 0.00 H new ATOM 733 N ALA A 57 -13.694 5.061 -1.955 1.00 0.00 N ATOM 734 CA ALA A 57 -14.751 4.449 -1.175 1.00 0.00 C ATOM 735 C ALA A 57 -16.093 4.656 -1.855 1.00 0.00 C ATOM 736 O ALA A 57 -16.415 5.767 -2.288 1.00 0.00 O ATOM 737 CB ALA A 57 -14.767 5.014 0.235 1.00 0.00 C ATOM 0 H ALA A 57 -13.263 5.875 -1.517 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.561 3.378 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.567 4.543 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.810 4.815 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.935 6.090 0.194 1.00 0.00 H new ATOM 743 N ASP A 58 -16.854 3.578 -1.969 1.00 0.00 N ATOM 744 CA ASP A 58 -18.168 3.620 -2.597 1.00 0.00 C ATOM 745 C ASP A 58 -19.184 4.284 -1.678 1.00 0.00 C ATOM 746 O ASP A 58 -18.833 4.777 -0.604 1.00 0.00 O ATOM 747 CB ASP A 58 -18.647 2.206 -2.976 1.00 0.00 C ATOM 748 CG ASP A 58 -18.561 1.196 -1.838 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.640 1.591 -0.657 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.409 -0.010 -2.128 1.00 0.00 O ATOM 0 H ASP A 58 -16.582 2.655 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.080 4.211 -3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.680 2.263 -3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.052 1.845 -3.815 1.00 0.00 H new ATOM 755 N ALA A 59 -20.445 4.279 -2.094 1.00 0.00 N ATOM 756 CA ALA A 59 -21.516 4.886 -1.310 1.00 0.00 C ATOM 757 C ALA A 59 -21.771 4.113 -0.020 1.00 0.00 C ATOM 758 O ALA A 59 -22.532 4.554 0.838 1.00 0.00 O ATOM 759 CB ALA A 59 -22.790 4.972 -2.134 1.00 0.00 C ATOM 0 H ALA A 59 -20.752 3.860 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.200 5.893 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.580 5.427 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.610 5.580 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.095 3.971 -2.437 1.00 0.00 H new ATOM 765 N ASN A 60 -21.127 2.959 0.110 1.00 0.00 N ATOM 766 CA ASN A 60 -21.274 2.128 1.295 1.00 0.00 C ATOM 767 C ASN A 60 -20.150 2.427 2.275 1.00 0.00 C ATOM 768 O ASN A 60 -20.139 1.929 3.398 1.00 0.00 O ATOM 769 CB ASN A 60 -21.248 0.645 0.919 1.00 0.00 C ATOM 770 CG ASN A 60 -22.382 0.257 -0.002 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.516 0.701 0.167 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.078 -0.563 -0.995 1.00 0.00 N ATOM 0 H ASN A 60 -20.496 2.578 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.233 2.353 1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.298 0.413 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.300 0.043 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.798 -0.851 -1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.123 -0.908 -1.098 1.00 0.00 H new ATOM 779 N GLY A 61 -19.205 3.249 1.836 1.00 0.00 N ATOM 780 CA GLY A 61 -18.078 3.600 2.674 1.00 0.00 C ATOM 781 C GLY A 61 -17.051 2.492 2.714 1.00 0.00 C ATOM 782 O GLY A 61 -16.377 2.290 3.729 1.00 0.00 O ATOM 0 H GLY A 61 -19.201 3.679 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.615 4.513 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.427 3.811 3.685 1.00 0.00 H new ATOM 786 N SER A 62 -16.933 1.768 1.608 1.00 0.00 N ATOM 787 CA SER A 62 -15.991 0.667 1.516 1.00 0.00 C ATOM 788 C SER A 62 -15.162 0.753 0.238 1.00 0.00 C ATOM 789 O SER A 62 -15.601 1.329 -0.762 1.00 0.00 O ATOM 790 CB SER A 62 -16.745 -0.662 1.565 1.00 0.00 C ATOM 791 OG SER A 62 -18.091 -0.518 1.123 1.00 0.00 O ATOM 0 H SER A 62 -17.481 1.926 0.762 1.00 0.00 H new ATOM 0 HA SER A 62 -15.308 0.729 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.233 -1.395 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.736 -1.049 2.584 1.00 0.00 H new ATOM 0 HG SER A 62 -18.133 0.162 0.418 1.00 0.00 H new ATOM 797 N ALA A 63 -13.967 0.183 0.269 1.00 0.00 N ATOM 798 CA ALA A 63 -13.087 0.192 -0.886 1.00 0.00 C ATOM 799 C ALA A 63 -12.240 -1.072 -0.927 1.00 0.00 C ATOM 800 O ALA A 63 -11.551 -1.395 0.041 1.00 0.00 O ATOM 801 CB ALA A 63 -12.196 1.427 -0.864 1.00 0.00 C ATOM 0 H ALA A 63 -13.585 -0.293 1.086 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.702 0.222 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.542 1.419 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.816 2.323 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.591 1.423 0.043 1.00 0.00 H new ATOM 807 N SER A 64 -12.313 -1.796 -2.037 1.00 0.00 N ATOM 808 CA SER A 64 -11.543 -3.019 -2.204 1.00 0.00 C ATOM 809 C SER A 64 -10.662 -2.924 -3.444 1.00 0.00 C ATOM 810 O SER A 64 -11.131 -2.562 -4.526 1.00 0.00 O ATOM 811 CB SER A 64 -12.471 -4.232 -2.306 1.00 0.00 C ATOM 812 OG SER A 64 -13.836 -3.839 -2.313 1.00 0.00 O ATOM 0 H SER A 64 -12.900 -1.555 -2.836 1.00 0.00 H new ATOM 0 HA SER A 64 -10.906 -3.145 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.246 -4.789 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.288 -4.904 -1.467 1.00 0.00 H new ATOM 0 HG SER A 64 -14.405 -4.634 -2.381 1.00 0.00 H new ATOM 818 N THR A 65 -9.386 -3.239 -3.277 1.00 0.00 N ATOM 819 CA THR A 65 -8.432 -3.188 -4.373 1.00 0.00 C ATOM 820 C THR A 65 -7.486 -4.398 -4.326 1.00 0.00 C ATOM 821 O THR A 65 -7.437 -5.122 -3.326 1.00 0.00 O ATOM 822 CB THR A 65 -7.619 -1.870 -4.331 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.726 -1.793 -5.448 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.839 -1.746 -3.031 1.00 0.00 C ATOM 0 H THR A 65 -8.986 -3.534 -2.386 1.00 0.00 H new ATOM 0 HA THR A 65 -8.990 -3.221 -5.309 1.00 0.00 H new ATOM 0 HB THR A 65 -8.326 -1.042 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.222 -0.954 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.278 -0.811 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.531 -1.754 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.148 -2.584 -2.940 1.00 0.00 H new ATOM 832 N SER A 66 -6.751 -4.612 -5.414 1.00 0.00 N ATOM 833 CA SER A 66 -5.814 -5.721 -5.518 1.00 0.00 C ATOM 834 C SER A 66 -4.449 -5.208 -5.991 1.00 0.00 C ATOM 835 O SER A 66 -4.344 -4.589 -7.048 1.00 0.00 O ATOM 836 CB SER A 66 -6.370 -6.761 -6.492 1.00 0.00 C ATOM 837 OG SER A 66 -7.729 -7.049 -6.205 1.00 0.00 O ATOM 0 H SER A 66 -6.790 -4.022 -6.245 1.00 0.00 H new ATOM 0 HA SER A 66 -5.683 -6.187 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.280 -6.392 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.780 -7.675 -6.430 1.00 0.00 H new ATOM 0 HG SER A 66 -8.064 -7.715 -6.841 1.00 0.00 H new ATOM 843 N LEU A 67 -3.406 -5.464 -5.208 1.00 0.00 N ATOM 844 CA LEU A 67 -2.062 -4.990 -5.540 1.00 0.00 C ATOM 845 C LEU A 67 -1.083 -6.141 -5.731 1.00 0.00 C ATOM 846 O LEU A 67 -1.032 -7.064 -4.926 1.00 0.00 O ATOM 847 CB LEU A 67 -1.523 -4.072 -4.432 1.00 0.00 C ATOM 848 CG LEU A 67 -2.206 -2.708 -4.287 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.368 -2.043 -5.642 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.553 -2.847 -3.599 1.00 0.00 C ATOM 0 H LEU A 67 -3.463 -5.996 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.148 -4.440 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.606 -4.599 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.461 -3.905 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.570 -2.077 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.855 -1.076 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.388 -1.900 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.978 -2.675 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.018 -1.865 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.197 -3.500 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.412 -3.275 -2.607 1.00 0.00 H new ATOM 862 N THR A 68 -0.292 -6.070 -6.788 1.00 0.00 N ATOM 863 CA THR A 68 0.702 -7.097 -7.065 1.00 0.00 C ATOM 864 C THR A 68 2.031 -6.725 -6.413 1.00 0.00 C ATOM 865 O THR A 68 2.695 -5.778 -6.837 1.00 0.00 O ATOM 866 CB THR A 68 0.909 -7.277 -8.581 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.201 -6.721 -9.297 1.00 0.00 O ATOM 868 CG2 THR A 68 1.067 -8.747 -8.942 1.00 0.00 C ATOM 0 H THR A 68 -0.318 -5.312 -7.470 1.00 0.00 H new ATOM 0 HA THR A 68 0.338 -8.037 -6.651 1.00 0.00 H new ATOM 0 HB THR A 68 1.823 -6.754 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.024 -5.816 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.212 -8.844 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.932 -9.159 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.171 -9.293 -8.646 1.00 0.00 H new ATOM 876 N VAL A 69 2.411 -7.457 -5.374 1.00 0.00 N ATOM 877 CA VAL A 69 3.654 -7.181 -4.662 1.00 0.00 C ATOM 878 C VAL A 69 4.867 -7.749 -5.409 1.00 0.00 C ATOM 879 O VAL A 69 4.980 -8.957 -5.628 1.00 0.00 O ATOM 880 CB VAL A 69 3.611 -7.720 -3.208 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.277 -9.205 -3.168 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.923 -7.446 -2.494 1.00 0.00 C ATOM 0 H VAL A 69 1.878 -8.245 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 69 3.760 -6.097 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 69 2.815 -7.190 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.256 -9.545 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.301 -9.371 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.034 -9.763 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.871 -7.832 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.737 -7.937 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.104 -6.372 -2.466 1.00 0.00 H new ATOM 892 N ARG A 70 5.753 -6.861 -5.831 1.00 0.00 N ATOM 893 CA ARG A 70 6.957 -7.254 -6.546 1.00 0.00 C ATOM 894 C ARG A 70 8.117 -7.400 -5.569 1.00 0.00 C ATOM 895 O ARG A 70 8.021 -6.975 -4.418 1.00 0.00 O ATOM 896 CB ARG A 70 7.313 -6.216 -7.615 1.00 0.00 C ATOM 897 CG ARG A 70 6.144 -5.825 -8.507 1.00 0.00 C ATOM 898 CD ARG A 70 5.572 -7.025 -9.238 1.00 0.00 C ATOM 899 NE ARG A 70 4.418 -6.662 -10.052 1.00 0.00 N ATOM 900 CZ ARG A 70 3.854 -7.465 -10.945 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.320 -8.691 -11.140 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.815 -7.040 -11.638 1.00 0.00 N ATOM 0 H ARG A 70 5.659 -5.855 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 70 6.771 -8.210 -7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.699 -5.322 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.116 -6.610 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.364 -5.361 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.472 -5.080 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.341 -7.465 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.282 -7.787 -8.515 1.00 0.00 H new ATOM 0 HE ARG A 70 4.019 -5.732 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.119 -9.025 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.879 -9.301 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.450 -6.100 -11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.376 -7.652 -12.326 1.00 0.00 H new ATOM 916 N ARG A 71 9.207 -7.996 -6.039 1.00 0.00 N ATOM 917 CA ARG A 71 10.395 -8.201 -5.215 1.00 0.00 C ATOM 918 C ARG A 71 11.169 -6.896 -5.060 1.00 0.00 C ATOM 919 O ARG A 71 11.605 -6.546 -3.964 1.00 0.00 O ATOM 920 CB ARG A 71 11.293 -9.268 -5.844 1.00 0.00 C ATOM 921 CG ARG A 71 12.381 -9.791 -4.914 1.00 0.00 C ATOM 922 CD ARG A 71 11.919 -11.017 -4.137 1.00 0.00 C ATOM 923 NE ARG A 71 11.427 -12.071 -5.025 1.00 0.00 N ATOM 924 CZ ARG A 71 11.336 -13.356 -4.691 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.712 -13.772 -3.487 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.862 -14.228 -5.566 1.00 0.00 N ATOM 0 H ARG A 71 9.293 -8.348 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 71 10.078 -8.538 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.674 -10.104 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.761 -8.854 -6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.267 -10.042 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.671 -9.006 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.746 -11.402 -3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.130 -10.730 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 71 11.134 -11.802 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.075 -13.104 -2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.638 -14.759 -3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.569 -13.914 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.790 -15.214 -5.315 1.00 0.00 H new ATOM 940 N SER A 72 11.340 -6.187 -6.168 1.00 0.00 N ATOM 941 CA SER A 72 12.048 -4.917 -6.171 1.00 0.00 C ATOM 942 C SER A 72 11.151 -3.839 -6.774 1.00 0.00 C ATOM 943 O SER A 72 10.444 -4.095 -7.753 1.00 0.00 O ATOM 944 CB SER A 72 13.349 -5.044 -6.967 1.00 0.00 C ATOM 945 OG SER A 72 13.994 -6.282 -6.700 1.00 0.00 O ATOM 0 H SER A 72 10.994 -6.475 -7.083 1.00 0.00 H new ATOM 0 HA SER A 72 12.299 -4.637 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.136 -4.964 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.016 -4.221 -6.713 1.00 0.00 H new ATOM 0 HG SER A 72 14.532 -6.201 -5.885 1.00 0.00 H new ATOM 951 N PHE A 73 11.164 -2.647 -6.191 1.00 0.00 N ATOM 952 CA PHE A 73 10.324 -1.565 -6.678 1.00 0.00 C ATOM 953 C PHE A 73 10.859 -0.199 -6.264 1.00 0.00 C ATOM 954 O PHE A 73 11.560 -0.073 -5.257 1.00 0.00 O ATOM 955 CB PHE A 73 8.904 -1.738 -6.135 1.00 0.00 C ATOM 956 CG PHE A 73 8.804 -1.587 -4.637 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.075 -2.656 -3.797 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.436 -0.377 -4.071 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.980 -2.520 -2.427 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.340 -0.235 -2.701 1.00 0.00 C ATOM 961 CZ PHE A 73 8.611 -1.309 -1.878 1.00 0.00 C ATOM 0 H PHE A 73 11.743 -2.408 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 73 10.323 -1.609 -7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.251 -1.005 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.534 -2.724 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.364 -3.607 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.221 0.467 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.194 -3.361 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.053 0.715 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.534 -1.202 -0.806 1.00 0.00 H new ATOM 971 N GLU A 74 10.543 0.818 -7.054 1.00 0.00 N ATOM 972 CA GLU A 74 10.956 2.176 -6.743 1.00 0.00 C ATOM 973 C GLU A 74 10.078 2.712 -5.620 1.00 0.00 C ATOM 974 O GLU A 74 8.881 2.430 -5.579 1.00 0.00 O ATOM 975 CB GLU A 74 10.845 3.084 -7.974 1.00 0.00 C ATOM 976 CG GLU A 74 11.321 2.435 -9.265 1.00 0.00 C ATOM 977 CD GLU A 74 10.184 1.824 -10.058 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.611 0.817 -9.600 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.851 2.357 -11.139 1.00 0.00 O ATOM 0 H GLU A 74 10.002 0.727 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 74 12.000 2.165 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.806 3.390 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.426 3.990 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.828 3.180 -9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.054 1.662 -9.031 1.00 0.00 H new ATOM 986 N GLY A 75 10.668 3.478 -4.720 1.00 0.00 N ATOM 987 CA GLY A 75 9.915 4.023 -3.611 1.00 0.00 C ATOM 988 C GLY A 75 9.489 5.456 -3.838 1.00 0.00 C ATOM 989 O GLY A 75 10.319 6.315 -4.155 1.00 0.00 O ATOM 0 H GLY A 75 11.655 3.733 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.031 3.409 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.519 3.968 -2.706 1.00 0.00 H new ATOM 993 N PHE A 76 8.197 5.718 -3.675 1.00 0.00 N ATOM 994 CA PHE A 76 7.655 7.053 -3.860 1.00 0.00 C ATOM 995 C PHE A 76 6.911 7.476 -2.610 1.00 0.00 C ATOM 996 O PHE A 76 6.260 6.657 -1.958 1.00 0.00 O ATOM 997 CB PHE A 76 6.715 7.090 -5.066 1.00 0.00 C ATOM 998 CG PHE A 76 7.360 7.595 -6.325 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.503 6.995 -6.829 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.816 8.670 -7.011 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.091 7.458 -7.992 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.399 9.136 -8.174 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.537 8.530 -8.664 1.00 0.00 C ATOM 0 H PHE A 76 7.504 5.017 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 76 8.478 7.744 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.329 6.086 -5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.860 7.723 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.940 6.156 -6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.926 9.149 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.982 6.982 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.964 9.974 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.994 8.893 -9.572 1.00 0.00 H new ATOM 1013 N LEU A 77 7.024 8.744 -2.266 1.00 0.00 N ATOM 1014 CA LEU A 77 6.362 9.267 -1.087 1.00 0.00 C ATOM 1015 C LEU A 77 4.899 9.568 -1.388 1.00 0.00 C ATOM 1016 O LEU A 77 4.455 9.460 -2.533 1.00 0.00 O ATOM 1017 CB LEU A 77 7.074 10.522 -0.588 1.00 0.00 C ATOM 1018 CG LEU A 77 8.569 10.356 -0.307 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.129 11.615 0.325 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.827 9.153 0.587 1.00 0.00 C ATOM 0 H LEU A 77 7.568 9.432 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 77 6.405 8.511 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.945 11.312 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.584 10.859 0.326 1.00 0.00 H new ATOM 0 HG LEU A 77 9.076 10.185 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.193 11.482 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.986 12.457 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.611 11.813 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.897 9.059 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.307 9.286 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.462 8.250 0.097 1.00 0.00 H new ATOM 1032 N PHE A 78 4.157 9.963 -0.365 1.00 0.00 N ATOM 1033 CA PHE A 78 2.741 10.256 -0.515 1.00 0.00 C ATOM 1034 C PHE A 78 2.532 11.689 -0.992 1.00 0.00 C ATOM 1035 O PHE A 78 2.003 12.533 -0.265 1.00 0.00 O ATOM 1036 CB PHE A 78 2.011 10.013 0.810 1.00 0.00 C ATOM 1037 CG PHE A 78 0.514 9.920 0.673 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.063 9.257 -0.400 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.312 10.498 1.619 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.434 9.176 -0.524 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.685 10.419 1.500 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.247 9.756 0.427 1.00 0.00 C ATOM 0 H PHE A 78 4.514 10.088 0.582 1.00 0.00 H new ATOM 0 HA PHE A 78 2.326 9.588 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.383 9.090 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.253 10.821 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.569 8.799 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.122 11.017 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.871 8.659 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.319 10.875 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.321 9.692 0.333 1.00 0.00 H new ATOM 1052 N ASP A 79 2.954 11.944 -2.225 1.00 0.00 N ATOM 1053 CA ASP A 79 2.829 13.262 -2.846 1.00 0.00 C ATOM 1054 C ASP A 79 3.394 13.227 -4.259 1.00 0.00 C ATOM 1055 O ASP A 79 2.915 13.927 -5.151 1.00 0.00 O ATOM 1056 CB ASP A 79 3.560 14.337 -2.027 1.00 0.00 C ATOM 1057 CG ASP A 79 5.041 14.404 -2.329 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.764 13.439 -2.014 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.493 15.421 -2.890 1.00 0.00 O ATOM 0 H ASP A 79 3.393 11.245 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 79 1.770 13.517 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.109 15.309 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.420 14.135 -0.965 1.00 0.00 H new ATOM 1064 N GLY A 80 4.412 12.399 -4.450 1.00 0.00 N ATOM 1065 CA GLY A 80 5.044 12.279 -5.746 1.00 0.00 C ATOM 1066 C GLY A 80 6.548 12.382 -5.650 1.00 0.00 C ATOM 1067 O GLY A 80 7.263 12.105 -6.616 1.00 0.00 O ATOM 0 H GLY A 80 4.813 11.805 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.773 11.323 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.668 13.060 -6.407 1.00 0.00 H new ATOM 1071 N THR A 81 7.031 12.791 -4.487 1.00 0.00 N ATOM 1072 CA THR A 81 8.456 12.914 -4.255 1.00 0.00 C ATOM 1073 C THR A 81 9.109 11.536 -4.263 1.00 0.00 C ATOM 1074 O THR A 81 8.681 10.625 -3.552 1.00 0.00 O ATOM 1075 CB THR A 81 8.733 13.632 -2.918 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.160 14.946 -2.951 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.225 13.739 -2.635 1.00 0.00 C ATOM 0 H THR A 81 6.451 13.044 -3.687 1.00 0.00 H new ATOM 0 HA THR A 81 8.886 13.513 -5.058 1.00 0.00 H new ATOM 0 HB THR A 81 8.279 13.042 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.189 14.877 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.379 14.251 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.658 12.740 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.707 14.303 -3.433 1.00 0.00 H new ATOM 1085 N ARG A 82 10.129 11.378 -5.095 1.00 0.00 N ATOM 1086 CA ARG A 82 10.833 10.108 -5.200 1.00 0.00 C ATOM 1087 C ARG A 82 11.987 10.066 -4.210 1.00 0.00 C ATOM 1088 O ARG A 82 12.526 11.107 -3.827 1.00 0.00 O ATOM 1089 CB ARG A 82 11.349 9.873 -6.626 1.00 0.00 C ATOM 1090 CG ARG A 82 11.740 11.140 -7.367 1.00 0.00 C ATOM 1091 CD ARG A 82 10.564 11.728 -8.133 1.00 0.00 C ATOM 1092 NE ARG A 82 10.862 13.061 -8.649 1.00 0.00 N ATOM 1093 CZ ARG A 82 10.010 14.084 -8.610 1.00 0.00 C ATOM 1094 NH1 ARG A 82 8.794 13.933 -8.087 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.374 15.263 -9.095 1.00 0.00 N ATOM 0 H ARG A 82 10.487 12.112 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 82 10.128 9.311 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.213 9.210 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.579 9.355 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.116 11.876 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.553 10.921 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.303 11.068 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.693 11.778 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 82 11.780 13.219 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.509 13.028 -7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.148 14.722 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.304 15.384 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.724 16.049 -9.067 1.00 0.00 H new ATOM 1109 N TRP A 83 12.370 8.868 -3.799 1.00 0.00 N ATOM 1110 CA TRP A 83 13.451 8.719 -2.837 1.00 0.00 C ATOM 1111 C TRP A 83 14.524 7.772 -3.358 1.00 0.00 C ATOM 1112 O TRP A 83 15.718 8.028 -3.202 1.00 0.00 O ATOM 1113 CB TRP A 83 12.905 8.208 -1.506 1.00 0.00 C ATOM 1114 CG TRP A 83 13.616 8.774 -0.320 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.583 8.167 0.423 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.418 10.068 0.260 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.990 8.999 1.435 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.289 10.173 1.357 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.582 11.146 -0.041 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.352 11.313 2.153 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.646 12.279 0.749 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.524 12.353 1.837 1.00 0.00 C ATOM 0 H TRP A 83 11.953 7.992 -4.113 1.00 0.00 H new ATOM 0 HA TRP A 83 13.905 9.698 -2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.845 8.454 -1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.982 7.121 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.972 7.176 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.700 8.779 2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.898 11.095 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.031 11.373 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.008 13.121 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.547 13.250 2.438 1.00 0.00 H new ATOM 1133 N GLY A 84 14.095 6.689 -3.987 1.00 0.00 N ATOM 1134 CA GLY A 84 15.032 5.721 -4.522 1.00 0.00 C ATOM 1135 C GLY A 84 14.357 4.413 -4.859 1.00 0.00 C ATOM 1136 O GLY A 84 13.193 4.401 -5.265 1.00 0.00 O ATOM 0 H GLY A 84 13.112 6.462 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.503 6.128 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.826 5.544 -3.796 1.00 0.00 H new ATOM 1140 N THR A 85 15.072 3.314 -4.680 1.00 0.00 N ATOM 1141 CA THR A 85 14.528 1.999 -4.968 1.00 0.00 C ATOM 1142 C THR A 85 14.650 1.087 -3.750 1.00 0.00 C ATOM 1143 O THR A 85 15.681 1.069 -3.074 1.00 0.00 O ATOM 1144 CB THR A 85 15.252 1.353 -6.171 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.374 2.307 -7.242 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.510 0.121 -6.670 1.00 0.00 C ATOM 0 H THR A 85 16.032 3.308 -4.336 1.00 0.00 H new ATOM 0 HA THR A 85 13.474 2.124 -5.217 1.00 0.00 H new ATOM 0 HB THR A 85 16.243 1.044 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.835 1.891 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.046 -0.309 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.447 -0.615 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.505 0.404 -6.983 1.00 0.00 H new ATOM 1154 N VAL A 86 13.589 0.345 -3.471 1.00 0.00 N ATOM 1155 CA VAL A 86 13.566 -0.578 -2.349 1.00 0.00 C ATOM 1156 C VAL A 86 13.534 -2.012 -2.864 1.00 0.00 C ATOM 1157 O VAL A 86 12.880 -2.314 -3.868 1.00 0.00 O ATOM 1158 CB VAL A 86 12.351 -0.336 -1.425 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.519 -1.090 -0.115 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.147 1.151 -1.164 1.00 0.00 C ATOM 0 H VAL A 86 12.725 0.366 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 86 14.470 -0.408 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 86 11.463 -0.713 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.654 -0.908 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.602 -2.158 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.421 -0.745 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.285 1.291 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.036 1.562 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.974 1.666 -2.109 1.00 0.00 H new ATOM 1170 N ASP A 87 14.253 -2.889 -2.188 1.00 0.00 N ATOM 1171 CA ASP A 87 14.315 -4.285 -2.584 1.00 0.00 C ATOM 1172 C ASP A 87 13.955 -5.194 -1.415 1.00 0.00 C ATOM 1173 O ASP A 87 14.472 -5.032 -0.311 1.00 0.00 O ATOM 1174 CB ASP A 87 15.712 -4.625 -3.101 1.00 0.00 C ATOM 1175 CG ASP A 87 15.855 -6.086 -3.466 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.554 -6.450 -4.617 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.270 -6.885 -2.599 1.00 0.00 O ATOM 0 H ASP A 87 14.803 -2.659 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 87 13.591 -4.447 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.931 -4.012 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.450 -4.370 -2.340 1.00 0.00 H new ATOM 1182 N CYS A 88 13.072 -6.151 -1.659 1.00 0.00 N ATOM 1183 CA CYS A 88 12.650 -7.072 -0.621 1.00 0.00 C ATOM 1184 C CYS A 88 13.136 -8.493 -0.897 1.00 0.00 C ATOM 1185 O CYS A 88 12.493 -9.463 -0.498 1.00 0.00 O ATOM 1186 CB CYS A 88 11.125 -7.049 -0.490 1.00 0.00 C ATOM 1187 SG CYS A 88 10.462 -5.493 0.193 1.00 0.00 S ATOM 0 H CYS A 88 12.635 -6.308 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 88 13.098 -6.747 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.684 -7.220 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.813 -7.876 0.148 1.00 0.00 H new ATOM 1192 N THR A 89 14.272 -8.627 -1.577 1.00 0.00 N ATOM 1193 CA THR A 89 14.818 -9.949 -1.859 1.00 0.00 C ATOM 1194 C THR A 89 15.372 -10.565 -0.576 1.00 0.00 C ATOM 1195 O THR A 89 15.254 -11.767 -0.345 1.00 0.00 O ATOM 1196 CB THR A 89 15.922 -9.896 -2.935 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.476 -9.105 -4.043 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.285 -11.292 -3.426 1.00 0.00 C ATOM 0 H THR A 89 14.824 -7.849 -1.938 1.00 0.00 H new ATOM 0 HA THR A 89 14.008 -10.568 -2.246 1.00 0.00 H new ATOM 0 HB THR A 89 16.809 -9.448 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.179 -9.071 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.066 -11.220 -4.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.646 -11.890 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.404 -11.767 -3.857 1.00 0.00 H new ATOM 1206 N THR A 90 15.953 -9.722 0.266 1.00 0.00 N ATOM 1207 CA THR A 90 16.506 -10.164 1.537 1.00 0.00 C ATOM 1208 C THR A 90 15.875 -9.361 2.676 1.00 0.00 C ATOM 1209 O THR A 90 16.368 -9.340 3.809 1.00 0.00 O ATOM 1210 CB THR A 90 18.049 -10.024 1.556 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.594 -10.684 2.705 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.478 -8.563 1.556 1.00 0.00 C ATOM 0 H THR A 90 16.054 -8.722 0.090 1.00 0.00 H new ATOM 0 HA THR A 90 16.272 -11.220 1.671 1.00 0.00 H new ATOM 0 HB THR A 90 18.432 -10.493 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.049 -10.474 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.566 -8.503 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.099 -8.072 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.076 -8.066 2.439 1.00 0.00 H new ATOM 1220 N ALA A 91 14.755 -8.721 2.362 1.00 0.00 N ATOM 1221 CA ALA A 91 14.033 -7.903 3.327 1.00 0.00 C ATOM 1222 C ALA A 91 12.539 -8.200 3.259 1.00 0.00 C ATOM 1223 O ALA A 91 12.106 -9.073 2.502 1.00 0.00 O ATOM 1224 CB ALA A 91 14.299 -6.425 3.074 1.00 0.00 C ATOM 0 H ALA A 91 14.325 -8.754 1.438 1.00 0.00 H new ATOM 0 HA ALA A 91 14.388 -8.148 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.752 -5.827 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.367 -6.226 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.969 -6.163 2.069 1.00 0.00 H new ATOM 1230 N ALA A 92 11.756 -7.473 4.044 1.00 0.00 N ATOM 1231 CA ALA A 92 10.317 -7.670 4.074 1.00 0.00 C ATOM 1232 C ALA A 92 9.584 -6.496 3.434 1.00 0.00 C ATOM 1233 O ALA A 92 9.958 -5.335 3.620 1.00 0.00 O ATOM 1234 CB ALA A 92 9.848 -7.872 5.508 1.00 0.00 C ATOM 0 H ALA A 92 12.095 -6.741 4.668 1.00 0.00 H new ATOM 0 HA ALA A 92 10.084 -8.563 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.768 -8.019 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.338 -8.749 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.101 -6.993 6.101 1.00 0.00 H new ATOM 1240 N CYS A 93 8.549 -6.808 2.678 1.00 0.00 N ATOM 1241 CA CYS A 93 7.734 -5.800 2.017 1.00 0.00 C ATOM 1242 C CYS A 93 6.399 -5.705 2.741 1.00 0.00 C ATOM 1243 O CYS A 93 5.902 -6.707 3.248 1.00 0.00 O ATOM 1244 CB CYS A 93 7.506 -6.173 0.547 1.00 0.00 C ATOM 1245 SG CYS A 93 8.615 -5.336 -0.635 1.00 0.00 S ATOM 0 H CYS A 93 8.247 -7.767 2.503 1.00 0.00 H new ATOM 0 HA CYS A 93 8.247 -4.839 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.627 -7.251 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.474 -5.940 0.283 1.00 0.00 H new ATOM 1250 N GLN A 94 5.817 -4.522 2.812 1.00 0.00 N ATOM 1251 CA GLN A 94 4.545 -4.373 3.494 1.00 0.00 C ATOM 1252 C GLN A 94 3.523 -3.677 2.611 1.00 0.00 C ATOM 1253 O GLN A 94 3.871 -2.944 1.685 1.00 0.00 O ATOM 1254 CB GLN A 94 4.726 -3.622 4.818 1.00 0.00 C ATOM 1255 CG GLN A 94 5.189 -2.183 4.672 1.00 0.00 C ATOM 1256 CD GLN A 94 5.430 -1.521 6.012 1.00 0.00 C ATOM 1257 OE1 GLN A 94 4.524 -0.936 6.602 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.650 -1.623 6.511 1.00 0.00 N ATOM 0 H GLN A 94 6.197 -3.664 2.413 1.00 0.00 H new ATOM 0 HA GLN A 94 4.165 -5.370 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.779 -3.632 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.448 -4.162 5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.107 -2.156 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.440 -1.617 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.374 -2.117 5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.867 -1.208 7.417 1.00 0.00 H new ATOM 1267 N VAL A 95 2.258 -3.937 2.885 1.00 0.00 N ATOM 1268 CA VAL A 95 1.176 -3.334 2.133 1.00 0.00 C ATOM 1269 C VAL A 95 0.800 -2.009 2.775 1.00 0.00 C ATOM 1270 O VAL A 95 0.495 -1.961 3.968 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.060 -4.252 2.089 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.072 -3.750 1.069 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.349 -5.684 1.781 1.00 0.00 C ATOM 0 H VAL A 95 1.954 -4.566 3.628 1.00 0.00 H new ATOM 0 HA VAL A 95 1.516 -3.177 1.109 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.533 -4.234 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.936 -4.415 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.392 -2.744 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.614 -3.732 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.537 -6.318 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.850 -5.719 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.028 -6.043 2.554 1.00 0.00 H new ATOM 1283 N GLY A 96 0.831 -0.942 1.993 1.00 0.00 N ATOM 1284 CA GLY A 96 0.514 0.363 2.522 1.00 0.00 C ATOM 1285 C GLY A 96 -0.652 1.020 1.822 1.00 0.00 C ATOM 1286 O GLY A 96 -0.809 0.905 0.606 1.00 0.00 O ATOM 0 H GLY A 96 1.070 -0.958 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.288 0.272 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.390 1.006 2.436 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.473 1.706 2.605 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.639 2.404 2.089 1.00 0.00 C ATOM 1292 C LEU A 97 -2.834 3.707 2.851 1.00 0.00 C ATOM 1293 O LEU A 97 -2.559 3.781 4.053 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.897 1.530 2.189 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.406 1.238 3.603 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.896 0.951 3.567 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.662 0.059 4.214 1.00 0.00 C ATOM 0 H LEU A 97 -1.349 1.793 3.614 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.472 2.625 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.697 2.016 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.694 0.580 1.695 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.224 2.116 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.251 0.744 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.424 1.817 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.085 0.086 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.041 -0.129 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.814 -0.826 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.597 0.287 4.265 1.00 0.00 H new ATOM 1309 N SER A 98 -3.288 4.736 2.156 1.00 0.00 N ATOM 1310 CA SER A 98 -3.500 6.033 2.774 1.00 0.00 C ATOM 1311 C SER A 98 -4.728 6.734 2.198 1.00 0.00 C ATOM 1312 O SER A 98 -5.071 6.550 1.029 1.00 0.00 O ATOM 1313 CB SER A 98 -2.259 6.900 2.588 1.00 0.00 C ATOM 1314 OG SER A 98 -1.220 6.498 3.465 1.00 0.00 O ATOM 0 H SER A 98 -3.517 4.698 1.163 1.00 0.00 H new ATOM 0 HA SER A 98 -3.679 5.878 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.915 6.832 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.510 7.945 2.772 1.00 0.00 H new ATOM 0 HG SER A 98 -1.475 5.665 3.914 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.386 7.532 3.036 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.580 8.275 2.640 1.00 0.00 C ATOM 1322 C ASP A 99 -6.197 9.608 1.988 1.00 0.00 C ATOM 1323 O ASP A 99 -5.175 9.700 1.310 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.487 8.500 3.866 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.970 9.561 4.830 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.744 9.650 5.031 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.798 10.317 5.378 1.00 0.00 O ATOM 0 H ASP A 99 -5.108 7.682 4.006 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.131 7.691 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.481 8.788 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.596 7.558 4.403 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.022 10.634 2.184 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.761 11.950 1.614 1.00 0.00 C ATOM 1334 C ALA A 100 -5.681 12.699 2.395 1.00 0.00 C ATOM 1335 O ALA A 100 -5.131 13.690 1.916 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.041 12.768 1.581 1.00 0.00 C ATOM 0 H ALA A 100 -7.879 10.577 2.735 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.397 11.805 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.835 13.749 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.785 12.255 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.423 12.887 2.595 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.383 12.224 3.599 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.375 12.859 4.441 1.00 0.00 C ATOM 1344 C ALA A 101 -3.120 12.001 4.540 1.00 0.00 C ATOM 1345 O ALA A 101 -2.001 12.499 4.422 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.936 13.126 5.830 1.00 0.00 C ATOM 0 H ALA A 101 -5.824 11.403 4.014 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.103 13.808 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.172 13.600 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.800 13.786 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.238 12.184 6.288 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.315 10.712 4.751 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.196 9.800 4.872 1.00 0.00 C ATOM 1354 C GLY A 102 -2.406 8.796 5.983 1.00 0.00 C ATOM 1355 O GLY A 102 -1.454 8.194 6.479 1.00 0.00 O ATOM 0 H GLY A 102 -4.233 10.276 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.053 9.273 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.284 10.367 5.062 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.658 8.609 6.365 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.000 7.689 7.437 1.00 0.00 C ATOM 1361 C ASN A 103 -4.844 6.540 6.912 1.00 0.00 C ATOM 1362 O ASN A 103 -4.946 6.332 5.701 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.758 8.434 8.536 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.898 9.461 9.241 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.767 9.176 9.631 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.424 10.668 9.390 1.00 0.00 N ATOM 0 H ASN A 103 -4.458 9.084 5.947 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.078 7.278 7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.627 8.929 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.132 7.716 9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.886 11.406 9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.367 10.859 9.051 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.452 5.806 7.829 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.280 4.682 7.461 1.00 0.00 C ATOM 1375 C GLY A 104 -5.822 3.424 8.161 1.00 0.00 C ATOM 1376 O GLY A 104 -5.007 3.501 9.079 1.00 0.00 O ATOM 0 H GLY A 104 -5.384 5.973 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.318 4.890 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.244 4.536 6.381 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.335 2.252 7.765 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.944 0.974 8.370 1.00 0.00 C ATOM 1382 C PRO A 105 -4.429 0.781 8.382 1.00 0.00 C ATOM 1383 O PRO A 105 -3.739 1.160 7.433 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.609 -0.063 7.465 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.780 0.647 6.879 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.350 2.079 6.711 1.00 0.00 C ATOM 0 HA PRO A 105 -6.248 0.904 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.926 -0.409 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.920 -0.942 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.064 0.209 5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.649 0.574 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.936 2.261 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.185 2.768 6.839 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.920 0.207 9.466 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.490 -0.029 9.609 1.00 0.00 C ATOM 1396 C GLU A 106 -1.985 -0.973 8.523 1.00 0.00 C ATOM 1397 O GLU A 106 -2.720 -1.845 8.057 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.183 -0.608 10.988 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.512 0.340 12.127 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.480 -0.337 13.478 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -3.504 -0.927 13.877 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.432 -0.278 14.154 1.00 0.00 O ATOM 0 H GLU A 106 -4.479 -0.104 10.260 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.976 0.926 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.747 -1.532 11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.126 -0.870 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.802 1.167 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.501 0.769 11.963 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.729 -0.793 8.135 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.136 -1.623 7.106 1.00 0.00 C ATOM 1411 C GLY A 107 0.142 -3.034 7.583 1.00 0.00 C ATOM 1412 O GLY A 107 0.097 -3.314 8.784 1.00 0.00 O ATOM 0 H GLY A 107 -0.107 -0.081 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.803 -1.660 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.795 -1.167 6.769 1.00 0.00 H new ATOM 1416 N VAL A 108 0.433 -3.922 6.644 1.00 0.00 N ATOM 1417 CA VAL A 108 0.716 -5.313 6.967 1.00 0.00 C ATOM 1418 C VAL A 108 2.005 -5.762 6.297 1.00 0.00 C ATOM 1419 O VAL A 108 2.135 -5.692 5.072 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.426 -6.253 6.522 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.160 -7.675 7.003 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.773 -5.753 7.026 1.00 0.00 C ATOM 0 H VAL A 108 0.479 -3.703 5.649 1.00 0.00 H new ATOM 0 HA VAL A 108 0.814 -5.372 8.051 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.460 -6.258 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.973 -8.326 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.779 -8.032 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.095 -7.685 8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.559 -6.433 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.761 -5.710 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.965 -4.757 6.626 1.00 0.00 H new ATOM 1432 N ALA A 109 2.956 -6.208 7.104 1.00 0.00 N ATOM 1433 CA ALA A 109 4.235 -6.681 6.596 1.00 0.00 C ATOM 1434 C ALA A 109 4.135 -8.132 6.141 1.00 0.00 C ATOM 1435 O ALA A 109 3.597 -8.983 6.851 1.00 0.00 O ATOM 1436 CB ALA A 109 5.315 -6.531 7.656 1.00 0.00 C ATOM 0 H ALA A 109 2.865 -6.252 8.119 1.00 0.00 H new ATOM 0 HA ALA A 109 4.505 -6.071 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.265 -6.889 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.410 -5.481 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.045 -7.115 8.536 1.00 0.00 H new ATOM 1442 N ILE A 110 4.644 -8.402 4.952 1.00 0.00 N ATOM 1443 CA ILE A 110 4.626 -9.746 4.393 1.00 0.00 C ATOM 1444 C ILE A 110 6.027 -10.148 3.956 1.00 0.00 C ATOM 1445 O ILE A 110 6.946 -9.327 3.953 1.00 0.00 O ATOM 1446 CB ILE A 110 3.654 -9.871 3.192 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.103 -8.987 2.025 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.237 -9.508 3.617 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.339 -9.241 0.741 1.00 0.00 C ATOM 0 H ILE A 110 5.079 -7.703 4.349 1.00 0.00 H new ATOM 0 HA ILE A 110 4.272 -10.415 5.177 1.00 0.00 H new ATOM 0 HB ILE A 110 3.666 -10.907 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.985 -7.941 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.165 -9.151 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.566 -9.601 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.911 -10.182 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.219 -8.482 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.711 -8.579 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.477 -10.278 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.279 -9.049 0.905 1.00 0.00 H new ATOM 1461 N SER A 111 6.197 -11.410 3.597 1.00 0.00 N ATOM 1462 CA SER A 111 7.490 -11.912 3.166 1.00 0.00 C ATOM 1463 C SER A 111 7.309 -13.026 2.142 1.00 0.00 C ATOM 1464 O SER A 111 6.271 -13.690 2.119 1.00 0.00 O ATOM 1465 CB SER A 111 8.284 -12.415 4.371 1.00 0.00 C ATOM 1466 OG SER A 111 8.346 -11.419 5.377 1.00 0.00 O ATOM 0 H SER A 111 5.452 -12.107 3.596 1.00 0.00 H new ATOM 0 HA SER A 111 8.046 -11.100 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.817 -13.315 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.292 -12.689 4.060 1.00 0.00 H new ATOM 0 HG SER A 111 8.856 -11.758 6.142 1.00 0.00 H new ATOM 1472 N PHE A 112 8.313 -13.218 1.299 1.00 0.00 N ATOM 1473 CA PHE A 112 8.263 -14.247 0.269 1.00 0.00 C ATOM 1474 C PHE A 112 8.979 -15.507 0.736 1.00 0.00 C ATOM 1475 O PHE A 112 9.775 -15.467 1.679 1.00 0.00 O ATOM 1476 CB PHE A 112 8.904 -13.735 -1.026 1.00 0.00 C ATOM 1477 CG PHE A 112 8.521 -12.324 -1.384 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.208 -11.997 -1.691 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.478 -11.323 -1.415 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.861 -10.700 -2.022 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.137 -10.025 -1.745 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.828 -9.713 -2.048 1.00 0.00 C ATOM 0 H PHE A 112 9.175 -12.673 1.308 1.00 0.00 H new ATOM 0 HA PHE A 112 7.217 -14.488 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.988 -13.793 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.621 -14.396 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.448 -12.764 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.505 -11.560 -1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.836 -10.459 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.895 -9.256 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.559 -8.699 -2.305 1.00 0.00 H new ATOM 1492 N ASN A 113 8.705 -16.619 0.069 1.00 0.00 N ATOM 1493 CA ASN A 113 9.324 -17.892 0.417 1.00 0.00 C ATOM 1494 C ASN A 113 10.696 -18.013 -0.229 1.00 0.00 C ATOM 1495 O ASN A 113 11.541 -18.761 0.301 1.00 0.00 O ATOM 1496 CB ASN A 113 8.444 -19.072 -0.008 1.00 0.00 C ATOM 1497 CG ASN A 113 8.177 -19.105 -1.502 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.013 -19.553 -2.289 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.001 -18.649 -1.901 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.935 -17.340 -1.253 1.00 0.00 O ATOM 0 H ASN A 113 8.057 -16.666 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 113 9.436 -17.919 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.926 -20.003 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.494 -19.020 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.759 -18.660 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.336 -18.286 -1.218 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.788 5.866 4.346 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.355 7.078 3.979 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.709 7.363 2.649 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.465 6.324 1.608 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.865 5.073 2.071 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.559 4.887 3.382 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.943 3.711 4.095 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.698 2.559 4.333 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.118 1.473 4.991 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.790 1.477 5.442 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.071 2.652 5.184 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.621 3.750 4.526 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.758 6.521 0.423 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.283 8.623 2.343 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.490 9.560 3.368 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.124 9.235 4.691 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.557 8.000 4.998 1.00 20.00 C HETATM 0 H8 FLN A 114 4.276 7.761 6.024 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.288 9.962 5.486 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.016 4.639 4.349 1.00 20.00 H new HETATM 0 H6 FLN A 114 5.930 10.531 3.143 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.034 2.709 5.513 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.562 8.863 1.317 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.347 0.625 5.958 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.724 0.583 5.162 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.660 4.278 1.354 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.737 2.509 4.006 1.00 20.00 H new