USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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 110:sc= 0.97 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.931 K(o=1.9,f=-0.03) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 50:sc= 1.29 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -151:sc= -0.627 USER MOD Single : A 11 SER OG : rot 180:sc= -0.518 USER MOD Single : A 17 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0894 K(o=-0.089,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot 73:sc= 0.879 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 36 GLN : amide:sc= -1.33! C(o=-1.3!,f=-5.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.882 K(o=0.88,f=-7.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -40:sc= 0.158 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 SER OG : rot 49:sc= 0.337 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -105:sc= 1.23 USER MOD Single : A 81 THR OG1 : rot 109:sc= 1.14 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00464 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 90 THR OG1 : rot -51:sc= 0.159 USER MOD Single : A 94 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00132 USER MOD Single : A 103 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.835 5.375 15.994 1.00 0.00 N ATOM 2 CA ALA A 1 -17.135 4.357 14.959 1.00 0.00 C ATOM 3 C ALA A 1 -15.939 3.441 14.748 1.00 0.00 C ATOM 4 O ALA A 1 -14.824 3.907 14.530 1.00 0.00 O ATOM 5 CB ALA A 1 -17.524 5.019 13.645 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.662 5.991 16.125 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.611 4.901 16.892 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.021 5.948 15.692 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.977 3.760 15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.739 4.252 12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.409 5.636 13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.702 5.643 13.295 1.00 0.00 H new ATOM 11 N ALA A 2 -16.175 2.138 14.818 1.00 0.00 N ATOM 12 CA ALA A 2 -15.114 1.159 14.638 1.00 0.00 C ATOM 13 C ALA A 2 -15.059 0.690 13.188 1.00 0.00 C ATOM 14 O ALA A 2 -16.015 0.097 12.683 1.00 0.00 O ATOM 15 CB ALA A 2 -15.319 -0.022 15.577 1.00 0.00 C ATOM 0 H ALA A 2 -17.094 1.735 14.999 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.162 1.631 14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.518 -0.746 15.431 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.308 0.328 16.609 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.278 -0.494 15.364 1.00 0.00 H new ATOM 21 N PRO A 3 -13.943 0.965 12.495 1.00 0.00 N ATOM 22 CA PRO A 3 -13.764 0.569 11.099 1.00 0.00 C ATOM 23 C PRO A 3 -13.430 -0.918 10.961 1.00 0.00 C ATOM 24 O PRO A 3 -13.046 -1.572 11.936 1.00 0.00 O ATOM 25 CB PRO A 3 -12.590 1.434 10.642 1.00 0.00 C ATOM 26 CG PRO A 3 -11.786 1.658 11.875 1.00 0.00 C ATOM 27 CD PRO A 3 -12.767 1.690 13.019 1.00 0.00 C ATOM 0 HA PRO A 3 -14.668 0.710 10.507 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.004 0.932 9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.934 2.377 10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.054 0.862 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.231 2.594 11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.362 1.206 13.907 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.020 2.712 13.301 1.00 0.00 H new ATOM 35 N THR A 4 -13.582 -1.445 9.756 1.00 0.00 N ATOM 36 CA THR A 4 -13.301 -2.849 9.488 1.00 0.00 C ATOM 37 C THR A 4 -12.311 -2.995 8.332 1.00 0.00 C ATOM 38 O THR A 4 -12.703 -3.121 7.171 1.00 0.00 O ATOM 39 CB THR A 4 -14.595 -3.613 9.146 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.738 -2.891 9.634 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.582 -5.010 9.746 1.00 0.00 C ATOM 0 H THR A 4 -13.900 -0.918 8.943 1.00 0.00 H new ATOM 0 HA THR A 4 -12.863 -3.273 10.392 1.00 0.00 H new ATOM 0 HB THR A 4 -14.655 -3.703 8.061 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.556 -3.383 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.507 -5.525 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.733 -5.568 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.496 -4.939 10.830 1.00 0.00 H new ATOM 49 N ALA A 5 -11.026 -2.962 8.653 1.00 0.00 N ATOM 50 CA ALA A 5 -9.986 -3.084 7.643 1.00 0.00 C ATOM 51 C ALA A 5 -9.624 -4.547 7.413 1.00 0.00 C ATOM 52 O ALA A 5 -8.612 -5.039 7.915 1.00 0.00 O ATOM 53 CB ALA A 5 -8.759 -2.286 8.051 1.00 0.00 C ATOM 0 H ALA A 5 -10.679 -2.852 9.606 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.367 -2.679 6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.989 -2.386 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.028 -1.235 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.379 -2.663 9.000 1.00 0.00 H new ATOM 59 N THR A 6 -10.463 -5.236 6.658 1.00 0.00 N ATOM 60 CA THR A 6 -10.246 -6.641 6.358 1.00 0.00 C ATOM 61 C THR A 6 -9.280 -6.817 5.186 1.00 0.00 C ATOM 62 O THR A 6 -9.645 -6.618 4.025 1.00 0.00 O ATOM 63 CB THR A 6 -11.580 -7.333 6.029 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.527 -6.356 5.559 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.143 -8.042 7.253 1.00 0.00 C ATOM 0 H THR A 6 -11.306 -4.842 6.239 1.00 0.00 H new ATOM 0 HA THR A 6 -9.806 -7.101 7.243 1.00 0.00 H new ATOM 0 HB THR A 6 -11.400 -8.077 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.116 -5.815 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.086 -8.523 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.434 -8.795 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.313 -7.316 8.048 1.00 0.00 H new ATOM 73 N VAL A 7 -8.038 -7.168 5.493 1.00 0.00 N ATOM 74 CA VAL A 7 -7.032 -7.368 4.459 1.00 0.00 C ATOM 75 C VAL A 7 -6.454 -8.777 4.531 1.00 0.00 C ATOM 76 O VAL A 7 -6.510 -9.432 5.576 1.00 0.00 O ATOM 77 CB VAL A 7 -5.887 -6.333 4.555 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.424 -4.923 4.361 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.145 -6.449 5.881 1.00 0.00 C ATOM 0 H VAL A 7 -7.704 -7.319 6.445 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.533 -7.231 3.501 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.176 -6.546 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.604 -4.208 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.891 -4.843 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.162 -4.706 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.346 -5.708 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.839 -6.275 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.718 -7.448 5.973 1.00 0.00 H new ATOM 89 N THR A 8 -5.911 -9.243 3.419 1.00 0.00 N ATOM 90 CA THR A 8 -5.322 -10.570 3.355 1.00 0.00 C ATOM 91 C THR A 8 -3.834 -10.482 3.027 1.00 0.00 C ATOM 92 O THR A 8 -3.459 -10.151 1.902 1.00 0.00 O ATOM 93 CB THR A 8 -6.032 -11.433 2.298 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.453 -11.340 2.478 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.596 -12.894 2.391 1.00 0.00 C ATOM 0 H THR A 8 -5.866 -8.720 2.545 1.00 0.00 H new ATOM 0 HA THR A 8 -5.445 -11.037 4.332 1.00 0.00 H new ATOM 0 HB THR A 8 -5.758 -11.060 1.311 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.905 -11.889 1.803 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.115 -13.478 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.520 -12.964 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.841 -13.285 3.379 1.00 0.00 H new ATOM 103 N PRO A 9 -2.970 -10.762 4.014 1.00 0.00 N ATOM 104 CA PRO A 9 -1.521 -10.716 3.827 1.00 0.00 C ATOM 105 C PRO A 9 -1.003 -11.919 3.042 1.00 0.00 C ATOM 106 O PRO A 9 -1.548 -13.021 3.132 1.00 0.00 O ATOM 107 CB PRO A 9 -0.984 -10.735 5.259 1.00 0.00 C ATOM 108 CG PRO A 9 -2.021 -11.466 6.041 1.00 0.00 C ATOM 109 CD PRO A 9 -3.341 -11.152 5.389 1.00 0.00 C ATOM 0 HA PRO A 9 -1.206 -9.846 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.019 -11.238 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.839 -9.725 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.829 -12.539 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.017 -11.149 7.084 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.006 -12.016 5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.861 -10.346 5.907 1.00 0.00 H new ATOM 117 N SER A 10 0.047 -11.703 2.268 1.00 0.00 N ATOM 118 CA SER A 10 0.646 -12.764 1.472 1.00 0.00 C ATOM 119 C SER A 10 1.808 -13.411 2.227 1.00 0.00 C ATOM 120 O SER A 10 2.821 -13.781 1.635 1.00 0.00 O ATOM 121 CB SER A 10 1.129 -12.192 0.138 1.00 0.00 C ATOM 122 OG SER A 10 0.195 -11.257 -0.377 1.00 0.00 O ATOM 0 H SER A 10 0.506 -10.797 2.173 1.00 0.00 H new ATOM 0 HA SER A 10 -0.104 -13.532 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.097 -11.709 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.274 -13.001 -0.578 1.00 0.00 H new ATOM 0 HG SER A 10 0.246 -11.249 -1.356 1.00 0.00 H new ATOM 128 N SER A 11 1.649 -13.542 3.540 1.00 0.00 N ATOM 129 CA SER A 11 2.671 -14.141 4.384 1.00 0.00 C ATOM 130 C SER A 11 2.824 -15.629 4.079 1.00 0.00 C ATOM 131 O SER A 11 1.960 -16.439 4.416 1.00 0.00 O ATOM 132 CB SER A 11 2.305 -13.933 5.854 1.00 0.00 C ATOM 133 OG SER A 11 1.644 -12.690 6.032 1.00 0.00 O ATOM 0 H SER A 11 0.815 -13.238 4.043 1.00 0.00 H new ATOM 0 HA SER A 11 3.626 -13.657 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.662 -14.745 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.206 -13.963 6.467 1.00 0.00 H new ATOM 0 HG SER A 11 1.415 -12.574 6.978 1.00 0.00 H new ATOM 139 N GLY A 12 3.920 -15.977 3.425 1.00 0.00 N ATOM 140 CA GLY A 12 4.173 -17.356 3.072 1.00 0.00 C ATOM 141 C GLY A 12 4.085 -17.570 1.580 1.00 0.00 C ATOM 142 O GLY A 12 4.175 -18.696 1.094 1.00 0.00 O ATOM 0 H GLY A 12 4.645 -15.322 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.162 -17.647 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.452 -18.000 3.576 1.00 0.00 H new ATOM 146 N LEU A 13 3.911 -16.479 0.852 1.00 0.00 N ATOM 147 CA LEU A 13 3.806 -16.530 -0.594 1.00 0.00 C ATOM 148 C LEU A 13 4.927 -15.716 -1.234 1.00 0.00 C ATOM 149 O LEU A 13 5.417 -14.752 -0.648 1.00 0.00 O ATOM 150 CB LEU A 13 2.437 -16.007 -1.041 1.00 0.00 C ATOM 151 CG LEU A 13 1.237 -16.636 -0.324 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.037 -15.870 -0.639 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.086 -18.101 -0.714 1.00 0.00 C ATOM 0 H LEU A 13 3.839 -15.540 1.245 1.00 0.00 H new ATOM 0 HA LEU A 13 3.905 -17.566 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.409 -14.928 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.332 -16.178 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 13 1.415 -16.582 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.877 -16.332 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.069 -14.837 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.218 -15.891 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.229 -18.529 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.933 -18.177 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.988 -18.646 -0.436 1.00 0.00 H new ATOM 165 N SER A 14 5.347 -16.118 -2.424 1.00 0.00 N ATOM 166 CA SER A 14 6.407 -15.422 -3.141 1.00 0.00 C ATOM 167 C SER A 14 5.887 -14.141 -3.796 1.00 0.00 C ATOM 168 O SER A 14 4.698 -13.826 -3.710 1.00 0.00 O ATOM 169 CB SER A 14 7.000 -16.347 -4.199 1.00 0.00 C ATOM 170 OG SER A 14 7.585 -17.493 -3.603 1.00 0.00 O ATOM 0 H SER A 14 4.968 -16.927 -2.916 1.00 0.00 H new ATOM 0 HA SER A 14 7.179 -15.141 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.221 -16.654 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.752 -15.809 -4.777 1.00 0.00 H new ATOM 0 HG SER A 14 7.042 -18.282 -3.809 1.00 0.00 H new ATOM 176 N ASP A 15 6.780 -13.410 -4.453 1.00 0.00 N ATOM 177 CA ASP A 15 6.408 -12.167 -5.124 1.00 0.00 C ATOM 178 C ASP A 15 5.497 -12.459 -6.312 1.00 0.00 C ATOM 179 O ASP A 15 5.429 -13.591 -6.789 1.00 0.00 O ATOM 180 CB ASP A 15 7.651 -11.405 -5.592 1.00 0.00 C ATOM 181 CG ASP A 15 8.229 -11.961 -6.880 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.747 -13.094 -6.863 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.178 -11.260 -7.910 1.00 0.00 O ATOM 0 H ASP A 15 7.767 -13.655 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 15 5.871 -11.544 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.395 -10.355 -5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.411 -11.443 -4.811 1.00 0.00 H new ATOM 188 N GLY A 16 4.783 -11.441 -6.769 1.00 0.00 N ATOM 189 CA GLY A 16 3.877 -11.614 -7.885 1.00 0.00 C ATOM 190 C GLY A 16 2.478 -11.951 -7.421 1.00 0.00 C ATOM 191 O GLY A 16 1.518 -11.841 -8.183 1.00 0.00 O ATOM 0 H GLY A 16 4.815 -10.496 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.853 -10.701 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.246 -12.408 -8.534 1.00 0.00 H new ATOM 195 N THR A 17 2.369 -12.357 -6.162 1.00 0.00 N ATOM 196 CA THR A 17 1.089 -12.712 -5.581 1.00 0.00 C ATOM 197 C THR A 17 0.215 -11.469 -5.439 1.00 0.00 C ATOM 198 O THR A 17 0.700 -10.393 -5.081 1.00 0.00 O ATOM 199 CB THR A 17 1.270 -13.387 -4.206 1.00 0.00 C ATOM 200 OG1 THR A 17 2.229 -14.452 -4.306 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.049 -13.940 -3.687 1.00 0.00 C ATOM 0 H THR A 17 3.160 -12.448 -5.524 1.00 0.00 H new ATOM 0 HA THR A 17 0.601 -13.422 -6.248 1.00 0.00 H new ATOM 0 HB THR A 17 1.628 -12.633 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.135 -14.082 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.110 -14.410 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.768 -13.128 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.435 -14.679 -4.389 1.00 0.00 H new ATOM 209 N VAL A 18 -1.064 -11.621 -5.727 1.00 0.00 N ATOM 210 CA VAL A 18 -2.003 -10.516 -5.649 1.00 0.00 C ATOM 211 C VAL A 18 -2.562 -10.364 -4.235 1.00 0.00 C ATOM 212 O VAL A 18 -3.235 -11.260 -3.717 1.00 0.00 O ATOM 213 CB VAL A 18 -3.165 -10.713 -6.645 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.090 -9.505 -6.646 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.629 -10.974 -8.044 1.00 0.00 C ATOM 0 H VAL A 18 -1.479 -12.506 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.459 -9.608 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.741 -11.582 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.901 -9.668 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.505 -9.363 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.528 -8.617 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.462 -11.111 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.026 -10.125 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.014 -11.874 -8.036 1.00 0.00 H new ATOM 225 N VAL A 19 -2.265 -9.230 -3.614 1.00 0.00 N ATOM 226 CA VAL A 19 -2.732 -8.939 -2.264 1.00 0.00 C ATOM 227 C VAL A 19 -4.158 -8.396 -2.307 1.00 0.00 C ATOM 228 O VAL A 19 -4.506 -7.625 -3.205 1.00 0.00 O ATOM 229 CB VAL A 19 -1.821 -7.908 -1.563 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.122 -7.838 -0.073 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.350 -8.231 -1.795 1.00 0.00 C ATOM 0 H VAL A 19 -1.698 -8.490 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.705 -9.870 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.029 -6.931 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.467 -7.105 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.161 -7.543 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.954 -8.816 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.269 -7.489 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.128 -9.221 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.138 -8.214 -2.864 1.00 0.00 H new ATOM 241 N LYS A 20 -4.974 -8.793 -1.338 1.00 0.00 N ATOM 242 CA LYS A 20 -6.359 -8.350 -1.279 1.00 0.00 C ATOM 243 C LYS A 20 -6.564 -7.338 -0.158 1.00 0.00 C ATOM 244 O LYS A 20 -6.260 -7.611 1.004 1.00 0.00 O ATOM 245 CB LYS A 20 -7.290 -9.548 -1.069 1.00 0.00 C ATOM 246 CG LYS A 20 -8.763 -9.216 -1.262 1.00 0.00 C ATOM 247 CD LYS A 20 -9.666 -10.369 -0.847 1.00 0.00 C ATOM 248 CE LYS A 20 -9.395 -11.621 -1.668 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.331 -12.725 -1.330 1.00 0.00 N ATOM 0 H LYS A 20 -4.699 -9.421 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.598 -7.868 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.011 -10.341 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.143 -9.940 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.015 -8.330 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.945 -8.971 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.514 -10.587 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.709 -10.075 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.482 -11.384 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.370 -11.951 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.110 -13.558 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.231 -12.970 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.308 -12.421 -1.516 1.00 0.00 H new ATOM 263 N VAL A 21 -7.073 -6.169 -0.521 1.00 0.00 N ATOM 264 CA VAL A 21 -7.340 -5.107 0.434 1.00 0.00 C ATOM 265 C VAL A 21 -8.809 -4.711 0.370 1.00 0.00 C ATOM 266 O VAL A 21 -9.265 -4.180 -0.639 1.00 0.00 O ATOM 267 CB VAL A 21 -6.465 -3.862 0.160 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.839 -2.713 1.089 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.987 -4.205 0.295 1.00 0.00 C ATOM 0 H VAL A 21 -7.311 -5.932 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.096 -5.486 1.427 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.651 -3.538 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.208 -1.851 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.884 -2.445 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.693 -3.020 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.388 -3.316 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.787 -4.561 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.727 -4.984 -0.422 1.00 0.00 H new ATOM 279 N ALA A 22 -9.551 -4.995 1.433 1.00 0.00 N ATOM 280 CA ALA A 22 -10.966 -4.657 1.489 1.00 0.00 C ATOM 281 C ALA A 22 -11.299 -3.922 2.782 1.00 0.00 C ATOM 282 O ALA A 22 -11.571 -4.538 3.812 1.00 0.00 O ATOM 283 CB ALA A 22 -11.822 -5.908 1.351 1.00 0.00 C ATOM 0 H ALA A 22 -9.195 -5.459 2.269 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.188 -3.993 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.876 -5.634 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.612 -6.389 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.592 -6.598 2.163 1.00 0.00 H new ATOM 289 N GLY A 23 -11.274 -2.602 2.727 1.00 0.00 N ATOM 290 CA GLY A 23 -11.570 -1.806 3.902 1.00 0.00 C ATOM 291 C GLY A 23 -13.018 -1.371 3.951 1.00 0.00 C ATOM 292 O GLY A 23 -13.531 -0.810 2.985 1.00 0.00 O ATOM 0 H GLY A 23 -11.054 -2.064 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.336 -2.382 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.928 -0.925 3.913 1.00 0.00 H new ATOM 296 N ALA A 24 -13.679 -1.640 5.067 1.00 0.00 N ATOM 297 CA ALA A 24 -15.074 -1.267 5.246 1.00 0.00 C ATOM 298 C ALA A 24 -15.209 -0.254 6.377 1.00 0.00 C ATOM 299 O ALA A 24 -14.421 -0.263 7.328 1.00 0.00 O ATOM 300 CB ALA A 24 -15.924 -2.500 5.526 1.00 0.00 C ATOM 0 H ALA A 24 -13.268 -2.119 5.868 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.432 -0.807 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.964 -2.203 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.848 -3.193 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.569 -2.988 6.434 1.00 0.00 H new ATOM 306 N GLY A 25 -16.202 0.615 6.268 1.00 0.00 N ATOM 307 CA GLY A 25 -16.417 1.628 7.281 1.00 0.00 C ATOM 308 C GLY A 25 -15.487 2.810 7.104 1.00 0.00 C ATOM 309 O GLY A 25 -15.105 3.468 8.076 1.00 0.00 O ATOM 0 H GLY A 25 -16.865 0.637 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.451 1.970 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.266 1.192 8.268 1.00 0.00 H new ATOM 313 N LEU A 26 -15.124 3.083 5.858 1.00 0.00 N ATOM 314 CA LEU A 26 -14.227 4.182 5.541 1.00 0.00 C ATOM 315 C LEU A 26 -15.017 5.450 5.226 1.00 0.00 C ATOM 316 O LEU A 26 -16.233 5.502 5.417 1.00 0.00 O ATOM 317 CB LEU A 26 -13.350 3.812 4.343 1.00 0.00 C ATOM 318 CG LEU A 26 -12.665 2.447 4.421 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.948 2.143 3.117 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.691 2.404 5.587 1.00 0.00 C ATOM 0 H LEU A 26 -15.441 2.553 5.046 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.595 4.370 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.965 3.839 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.583 4.577 4.227 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.428 1.685 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.465 1.168 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.669 2.133 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.195 2.909 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.213 1.425 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.931 3.174 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.230 2.583 6.518 1.00 0.00 H new ATOM 332 N GLN A 27 -14.321 6.471 4.746 1.00 0.00 N ATOM 333 CA GLN A 27 -14.957 7.730 4.400 1.00 0.00 C ATOM 334 C GLN A 27 -15.463 7.679 2.961 1.00 0.00 C ATOM 335 O GLN A 27 -14.715 7.955 2.019 1.00 0.00 O ATOM 336 CB GLN A 27 -13.970 8.886 4.572 1.00 0.00 C ATOM 337 CG GLN A 27 -14.627 10.218 4.900 1.00 0.00 C ATOM 338 CD GLN A 27 -14.942 10.365 6.374 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.288 9.763 7.228 1.00 0.00 O ATOM 340 NE2 GLN A 27 -15.939 11.173 6.685 1.00 0.00 N ATOM 0 H GLN A 27 -13.314 6.450 4.588 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.804 7.893 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.267 8.634 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.390 8.995 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.969 11.030 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.547 10.317 4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.456 11.653 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.193 11.317 7.662 1.00 0.00 H new ATOM 349 N ALA A 28 -16.727 7.301 2.804 1.00 0.00 N ATOM 350 CA ALA A 28 -17.358 7.191 1.489 1.00 0.00 C ATOM 351 C ALA A 28 -17.196 8.468 0.671 1.00 0.00 C ATOM 352 O ALA A 28 -17.488 9.568 1.146 1.00 0.00 O ATOM 353 CB ALA A 28 -18.835 6.856 1.642 1.00 0.00 C ATOM 0 H ALA A 28 -17.343 7.062 3.581 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.856 6.387 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.294 6.777 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.940 5.908 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.330 7.644 2.210 1.00 0.00 H new ATOM 359 N GLY A 29 -16.724 8.315 -0.559 1.00 0.00 N ATOM 360 CA GLY A 29 -16.536 9.462 -1.426 1.00 0.00 C ATOM 361 C GLY A 29 -15.093 9.923 -1.479 1.00 0.00 C ATOM 362 O GLY A 29 -14.750 10.829 -2.237 1.00 0.00 O ATOM 0 H GLY A 29 -16.468 7.418 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.870 9.210 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.163 10.283 -1.078 1.00 0.00 H new ATOM 366 N THR A 30 -14.246 9.304 -0.673 1.00 0.00 N ATOM 367 CA THR A 30 -12.836 9.659 -0.641 1.00 0.00 C ATOM 368 C THR A 30 -11.987 8.559 -1.278 1.00 0.00 C ATOM 369 O THR A 30 -12.297 7.371 -1.146 1.00 0.00 O ATOM 370 CB THR A 30 -12.358 9.911 0.804 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.445 10.408 1.598 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.215 10.916 0.827 1.00 0.00 C ATOM 0 H THR A 30 -14.509 8.555 -0.033 1.00 0.00 H new ATOM 0 HA THR A 30 -12.716 10.579 -1.213 1.00 0.00 H new ATOM 0 HB THR A 30 -12.003 8.966 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.080 9.683 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.894 11.078 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.380 10.530 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.552 11.860 0.399 1.00 0.00 H new ATOM 380 N ALA A 31 -10.930 8.956 -1.977 1.00 0.00 N ATOM 381 CA ALA A 31 -10.045 8.004 -2.635 1.00 0.00 C ATOM 382 C ALA A 31 -8.948 7.517 -1.692 1.00 0.00 C ATOM 383 O ALA A 31 -8.364 8.300 -0.939 1.00 0.00 O ATOM 384 CB ALA A 31 -9.435 8.627 -3.882 1.00 0.00 C ATOM 0 H ALA A 31 -10.665 9.933 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.641 7.139 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.776 7.905 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.229 8.911 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.862 9.512 -3.604 1.00 0.00 H new ATOM 390 N TYR A 32 -8.681 6.217 -1.737 1.00 0.00 N ATOM 391 CA TYR A 32 -7.654 5.606 -0.904 1.00 0.00 C ATOM 392 C TYR A 32 -6.529 5.047 -1.774 1.00 0.00 C ATOM 393 O TYR A 32 -6.756 4.192 -2.633 1.00 0.00 O ATOM 394 CB TYR A 32 -8.256 4.492 -0.043 1.00 0.00 C ATOM 395 CG TYR A 32 -9.076 4.998 1.128 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.358 5.504 0.942 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.566 4.967 2.421 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.106 5.965 2.010 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.309 5.423 3.493 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.576 5.922 3.283 1.00 0.00 C ATOM 401 OH TYR A 32 -11.317 6.377 4.353 1.00 0.00 O ATOM 0 H TYR A 32 -9.167 5.561 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.243 6.372 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.886 3.861 -0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.451 3.862 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.776 5.537 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.572 4.580 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.099 6.356 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.898 5.388 4.491 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.798 6.275 5.178 1.00 0.00 H new ATOM 411 N ASP A 33 -5.322 5.536 -1.545 1.00 0.00 N ATOM 412 CA ASP A 33 -4.152 5.103 -2.298 1.00 0.00 C ATOM 413 C ASP A 33 -3.535 3.878 -1.639 1.00 0.00 C ATOM 414 O ASP A 33 -3.170 3.919 -0.462 1.00 0.00 O ATOM 415 CB ASP A 33 -3.119 6.232 -2.369 1.00 0.00 C ATOM 416 CG ASP A 33 -3.418 7.242 -3.462 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.559 7.739 -3.523 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.507 7.552 -4.261 1.00 0.00 O ATOM 0 H ASP A 33 -5.123 6.241 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.462 4.846 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.083 6.745 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.131 5.803 -2.539 1.00 0.00 H new ATOM 423 N VAL A 34 -3.449 2.781 -2.383 1.00 0.00 N ATOM 424 CA VAL A 34 -2.879 1.547 -1.854 1.00 0.00 C ATOM 425 C VAL A 34 -1.861 0.947 -2.822 1.00 0.00 C ATOM 426 O VAL A 34 -2.176 0.693 -3.986 1.00 0.00 O ATOM 427 CB VAL A 34 -3.970 0.485 -1.568 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.413 -0.633 -0.698 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.188 1.112 -0.905 1.00 0.00 C ATOM 0 H VAL A 34 -3.765 2.721 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.386 1.814 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.283 0.063 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.194 -1.369 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.579 -1.112 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.066 -0.219 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.936 0.342 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.893 1.570 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.608 1.874 -1.562 1.00 0.00 H new ATOM 439 N GLY A 35 -0.636 0.747 -2.351 1.00 0.00 N ATOM 440 CA GLY A 35 0.382 0.153 -3.192 1.00 0.00 C ATOM 441 C GLY A 35 1.382 -0.637 -2.381 1.00 0.00 C ATOM 442 O GLY A 35 1.250 -0.737 -1.162 1.00 0.00 O ATOM 0 H GLY A 35 -0.332 0.984 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.088 -0.500 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.900 0.936 -3.746 1.00 0.00 H new ATOM 446 N GLN A 36 2.365 -1.224 -3.043 1.00 0.00 N ATOM 447 CA GLN A 36 3.388 -1.980 -2.338 1.00 0.00 C ATOM 448 C GLN A 36 4.453 -1.013 -1.841 1.00 0.00 C ATOM 449 O GLN A 36 4.974 -0.202 -2.610 1.00 0.00 O ATOM 450 CB GLN A 36 4.004 -3.067 -3.225 1.00 0.00 C ATOM 451 CG GLN A 36 4.671 -2.541 -4.486 1.00 0.00 C ATOM 452 CD GLN A 36 5.728 -3.484 -5.026 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.877 -3.643 -6.232 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.486 -4.106 -4.133 1.00 0.00 N ATOM 0 H GLN A 36 2.477 -1.193 -4.056 1.00 0.00 H new ATOM 0 HA GLN A 36 2.930 -2.492 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.740 -3.621 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.224 -3.774 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.913 -2.376 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.127 -1.574 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.333 -3.949 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.222 -4.741 -4.442 1.00 0.00 H new ATOM 463 N CYS A 37 4.747 -1.068 -0.554 1.00 0.00 N ATOM 464 CA CYS A 37 5.727 -0.177 0.036 1.00 0.00 C ATOM 465 C CYS A 37 6.622 -0.929 1.010 1.00 0.00 C ATOM 466 O CYS A 37 6.385 -2.102 1.301 1.00 0.00 O ATOM 467 CB CYS A 37 4.997 0.962 0.752 1.00 0.00 C ATOM 468 SG CYS A 37 3.296 1.217 0.147 1.00 0.00 S ATOM 0 H CYS A 37 4.320 -1.722 0.102 1.00 0.00 H new ATOM 0 HA CYS A 37 6.361 0.232 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.968 0.751 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.563 1.885 0.625 1.00 0.00 H new ATOM 473 N ALA A 38 7.659 -0.255 1.486 1.00 0.00 N ATOM 474 CA ALA A 38 8.589 -0.833 2.445 1.00 0.00 C ATOM 475 C ALA A 38 9.498 0.253 3.000 1.00 0.00 C ATOM 476 O ALA A 38 9.306 1.435 2.702 1.00 0.00 O ATOM 477 CB ALA A 38 9.410 -1.947 1.814 1.00 0.00 C ATOM 0 H ALA A 38 7.879 0.705 1.219 1.00 0.00 H new ATOM 0 HA ALA A 38 8.014 -1.269 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.095 -2.359 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.744 -2.734 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.980 -1.548 0.975 1.00 0.00 H new ATOM 483 N TRP A 39 10.485 -0.143 3.793 1.00 0.00 N ATOM 484 CA TRP A 39 11.416 0.806 4.390 1.00 0.00 C ATOM 485 C TRP A 39 12.399 1.324 3.346 1.00 0.00 C ATOM 486 O TRP A 39 13.218 0.569 2.820 1.00 0.00 O ATOM 487 CB TRP A 39 12.178 0.154 5.547 1.00 0.00 C ATOM 488 CG TRP A 39 11.290 -0.292 6.665 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.882 -1.568 6.927 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.697 0.536 7.670 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.069 -1.585 8.034 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.940 -0.304 8.507 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.734 1.907 7.944 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.225 0.182 9.598 1.00 0.00 C ATOM 495 CZ3 TRP A 39 10.021 2.389 9.028 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.277 1.528 9.843 1.00 0.00 C ATOM 0 H TRP A 39 10.662 -1.117 4.038 1.00 0.00 H new ATOM 0 HA TRP A 39 10.841 1.648 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.733 -0.704 5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.911 0.862 5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.158 -2.437 6.348 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.633 -2.414 8.438 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.308 2.577 7.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.650 -0.479 10.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.039 3.446 9.248 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.733 1.934 10.683 1.00 0.00 H new ATOM 507 N VAL A 40 12.312 2.609 3.044 1.00 0.00 N ATOM 508 CA VAL A 40 13.191 3.216 2.054 1.00 0.00 C ATOM 509 C VAL A 40 14.337 3.963 2.737 1.00 0.00 C ATOM 510 O VAL A 40 15.403 4.164 2.151 1.00 0.00 O ATOM 511 CB VAL A 40 12.411 4.170 1.112 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.983 5.440 1.834 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.230 4.504 -0.130 1.00 0.00 C ATOM 0 H VAL A 40 11.644 3.252 3.468 1.00 0.00 H new ATOM 0 HA VAL A 40 13.608 2.413 1.447 1.00 0.00 H new ATOM 0 HB VAL A 40 11.508 3.649 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.439 6.085 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.338 5.181 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.865 5.964 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.659 5.174 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.159 4.990 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.458 3.587 -0.673 1.00 0.00 H new ATOM 523 N ASP A 41 14.114 4.353 3.987 1.00 0.00 N ATOM 524 CA ASP A 41 15.118 5.077 4.756 1.00 0.00 C ATOM 525 C ASP A 41 14.911 4.819 6.244 1.00 0.00 C ATOM 526 O ASP A 41 14.135 3.939 6.623 1.00 0.00 O ATOM 527 CB ASP A 41 15.030 6.580 4.465 1.00 0.00 C ATOM 528 CG ASP A 41 16.374 7.278 4.551 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.853 7.526 5.675 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.954 7.595 3.491 1.00 0.00 O ATOM 0 H ASP A 41 13.244 4.179 4.490 1.00 0.00 H new ATOM 0 HA ASP A 41 16.108 4.725 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.612 6.728 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.341 7.042 5.172 1.00 0.00 H new ATOM 535 N THR A 42 15.588 5.593 7.080 1.00 0.00 N ATOM 536 CA THR A 42 15.479 5.454 8.524 1.00 0.00 C ATOM 537 C THR A 42 14.142 6.000 9.019 1.00 0.00 C ATOM 538 O THR A 42 13.966 7.209 9.144 1.00 0.00 O ATOM 539 CB THR A 42 16.627 6.194 9.235 1.00 0.00 C ATOM 540 OG1 THR A 42 17.860 5.961 8.538 1.00 0.00 O ATOM 541 CG2 THR A 42 16.760 5.733 10.677 1.00 0.00 C ATOM 0 H THR A 42 16.225 6.331 6.778 1.00 0.00 H new ATOM 0 HA THR A 42 15.542 4.392 8.759 1.00 0.00 H new ATOM 0 HB THR A 42 16.401 7.260 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.587 6.435 8.993 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.578 6.271 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.831 5.934 11.210 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.967 4.663 10.699 1.00 0.00 H new ATOM 549 N GLY A 43 13.195 5.101 9.267 1.00 0.00 N ATOM 550 CA GLY A 43 11.881 5.506 9.739 1.00 0.00 C ATOM 551 C GLY A 43 10.992 5.995 8.612 1.00 0.00 C ATOM 552 O GLY A 43 9.808 6.269 8.811 1.00 0.00 O ATOM 0 H GLY A 43 13.314 4.095 9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.401 4.664 10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.991 6.297 10.481 1.00 0.00 H new ATOM 556 N VAL A 44 11.562 6.092 7.417 1.00 0.00 N ATOM 557 CA VAL A 44 10.830 6.560 6.250 1.00 0.00 C ATOM 558 C VAL A 44 10.476 5.394 5.338 1.00 0.00 C ATOM 559 O VAL A 44 11.320 4.540 5.043 1.00 0.00 O ATOM 560 CB VAL A 44 11.643 7.598 5.441 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.752 8.331 4.446 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.339 8.585 6.369 1.00 0.00 C ATOM 0 H VAL A 44 12.536 5.851 7.232 1.00 0.00 H new ATOM 0 HA VAL A 44 9.920 7.036 6.616 1.00 0.00 H new ATOM 0 HB VAL A 44 12.408 7.062 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.347 9.055 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.313 7.613 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.958 8.850 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.904 9.305 5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.594 9.111 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.018 8.046 7.030 1.00 0.00 H new ATOM 572 N LEU A 45 9.231 5.355 4.901 1.00 0.00 N ATOM 573 CA LEU A 45 8.764 4.307 4.016 1.00 0.00 C ATOM 574 C LEU A 45 8.416 4.905 2.664 1.00 0.00 C ATOM 575 O LEU A 45 8.289 6.121 2.537 1.00 0.00 O ATOM 576 CB LEU A 45 7.544 3.610 4.615 1.00 0.00 C ATOM 577 CG LEU A 45 7.742 3.063 6.029 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.807 3.753 7.004 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.528 1.556 6.057 1.00 0.00 C ATOM 0 H LEU A 45 8.520 6.044 5.148 1.00 0.00 H new ATOM 0 HA LEU A 45 9.554 3.567 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.712 4.314 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.256 2.787 3.960 1.00 0.00 H new ATOM 0 HG LEU A 45 8.768 3.268 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.963 3.350 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.011 4.824 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.774 3.582 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.674 1.187 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.514 1.326 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.243 1.075 5.390 1.00 0.00 H new ATOM 591 N ALA A 46 8.270 4.060 1.658 1.00 0.00 N ATOM 592 CA ALA A 46 7.941 4.536 0.324 1.00 0.00 C ATOM 593 C ALA A 46 7.171 3.486 -0.460 1.00 0.00 C ATOM 594 O ALA A 46 7.484 2.298 -0.390 1.00 0.00 O ATOM 595 CB ALA A 46 9.200 4.930 -0.422 1.00 0.00 C ATOM 0 H ALA A 46 8.373 3.048 1.737 1.00 0.00 H new ATOM 0 HA ALA A 46 7.304 5.414 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.937 5.284 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.712 5.724 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.859 4.066 -0.506 1.00 0.00 H new ATOM 601 N CYS A 47 6.164 3.936 -1.200 1.00 0.00 N ATOM 602 CA CYS A 47 5.339 3.048 -2.013 1.00 0.00 C ATOM 603 C CYS A 47 5.756 3.136 -3.468 1.00 0.00 C ATOM 604 O CYS A 47 6.616 3.938 -3.827 1.00 0.00 O ATOM 605 CB CYS A 47 3.855 3.412 -1.896 1.00 0.00 C ATOM 606 SG CYS A 47 3.147 3.204 -0.231 1.00 0.00 S ATOM 0 H CYS A 47 5.897 4.919 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 47 5.483 2.032 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.724 4.449 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.288 2.798 -2.596 1.00 0.00 H new ATOM 611 N ASN A 48 5.148 2.311 -4.300 1.00 0.00 N ATOM 612 CA ASN A 48 5.444 2.316 -5.721 1.00 0.00 C ATOM 613 C ASN A 48 4.343 3.055 -6.477 1.00 0.00 C ATOM 614 O ASN A 48 3.169 2.716 -6.353 1.00 0.00 O ATOM 615 CB ASN A 48 5.572 0.888 -6.250 1.00 0.00 C ATOM 616 CG ASN A 48 6.186 0.851 -7.634 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.558 0.412 -8.591 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.415 1.330 -7.752 1.00 0.00 N ATOM 0 H ASN A 48 4.445 1.628 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 48 6.394 2.828 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.184 0.301 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.587 0.421 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.872 1.342 -8.664 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.904 1.686 -6.931 1.00 0.00 H new ATOM 625 N PRO A 49 4.707 4.076 -7.268 1.00 0.00 N ATOM 626 CA PRO A 49 3.747 4.877 -8.037 1.00 0.00 C ATOM 627 C PRO A 49 3.403 4.264 -9.390 1.00 0.00 C ATOM 628 O PRO A 49 2.697 4.870 -10.195 1.00 0.00 O ATOM 629 CB PRO A 49 4.502 6.184 -8.228 1.00 0.00 C ATOM 630 CG PRO A 49 5.923 5.759 -8.358 1.00 0.00 C ATOM 631 CD PRO A 49 6.087 4.552 -7.468 1.00 0.00 C ATOM 0 HA PRO A 49 2.787 4.969 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.161 6.717 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.361 6.855 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.163 5.514 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.598 6.560 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.709 3.790 -7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.562 4.813 -6.522 1.00 0.00 H new ATOM 639 N ALA A 50 3.906 3.066 -9.638 1.00 0.00 N ATOM 640 CA ALA A 50 3.646 2.380 -10.892 1.00 0.00 C ATOM 641 C ALA A 50 2.712 1.198 -10.668 1.00 0.00 C ATOM 642 O ALA A 50 1.558 1.208 -11.108 1.00 0.00 O ATOM 643 CB ALA A 50 4.955 1.929 -11.532 1.00 0.00 C ATOM 0 H ALA A 50 4.497 2.549 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 50 3.156 3.074 -11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.744 1.417 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.583 2.798 -11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.475 1.249 -10.857 1.00 0.00 H new ATOM 649 N ASP A 51 3.197 0.198 -9.948 1.00 0.00 N ATOM 650 CA ASP A 51 2.408 -0.992 -9.672 1.00 0.00 C ATOM 651 C ASP A 51 1.573 -0.804 -8.416 1.00 0.00 C ATOM 652 O ASP A 51 1.863 -1.373 -7.364 1.00 0.00 O ATOM 653 CB ASP A 51 3.308 -2.221 -9.533 1.00 0.00 C ATOM 654 CG ASP A 51 2.885 -3.345 -10.455 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.669 -3.498 -10.690 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.768 -4.074 -10.959 1.00 0.00 O ATOM 0 H ASP A 51 4.134 0.187 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 51 1.735 -1.152 -10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.339 -1.942 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.285 -2.571 -8.501 1.00 0.00 H new ATOM 661 N PHE A 52 0.552 0.031 -8.530 1.00 0.00 N ATOM 662 CA PHE A 52 -0.350 0.303 -7.425 1.00 0.00 C ATOM 663 C PHE A 52 -1.719 0.695 -7.967 1.00 0.00 C ATOM 664 O PHE A 52 -1.863 0.948 -9.166 1.00 0.00 O ATOM 665 CB PHE A 52 0.218 1.398 -6.503 1.00 0.00 C ATOM 666 CG PHE A 52 -0.177 2.807 -6.866 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.326 3.416 -8.004 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.053 3.522 -6.061 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.037 4.710 -8.332 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.417 4.814 -6.386 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.909 5.409 -7.522 1.00 0.00 C ATOM 0 H PHE A 52 0.327 0.536 -9.387 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.456 -0.601 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.108 1.197 -5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.306 1.329 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.009 2.875 -8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.455 3.063 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.362 5.173 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.100 5.359 -5.751 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.193 6.419 -7.777 1.00 0.00 H new ATOM 681 N SER A 53 -2.717 0.749 -7.101 1.00 0.00 N ATOM 682 CA SER A 53 -4.061 1.099 -7.523 1.00 0.00 C ATOM 683 C SER A 53 -4.804 1.854 -6.429 1.00 0.00 C ATOM 684 O SER A 53 -4.907 1.392 -5.295 1.00 0.00 O ATOM 685 CB SER A 53 -4.837 -0.167 -7.907 1.00 0.00 C ATOM 686 OG SER A 53 -4.252 -0.812 -9.032 1.00 0.00 O ATOM 0 H SER A 53 -2.622 0.555 -6.104 1.00 0.00 H new ATOM 0 HA SER A 53 -3.983 1.753 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.857 -0.854 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.872 0.092 -8.131 1.00 0.00 H new ATOM 0 HG SER A 53 -4.767 -1.616 -9.252 1.00 0.00 H new ATOM 692 N SER A 54 -5.298 3.032 -6.774 1.00 0.00 N ATOM 693 CA SER A 54 -6.051 3.845 -5.838 1.00 0.00 C ATOM 694 C SER A 54 -7.524 3.476 -5.924 1.00 0.00 C ATOM 695 O SER A 54 -8.138 3.589 -6.987 1.00 0.00 O ATOM 696 CB SER A 54 -5.851 5.329 -6.148 1.00 0.00 C ATOM 697 OG SER A 54 -4.528 5.568 -6.595 1.00 0.00 O ATOM 0 H SER A 54 -5.189 3.446 -7.700 1.00 0.00 H new ATOM 0 HA SER A 54 -5.694 3.658 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.562 5.646 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.053 5.923 -5.257 1.00 0.00 H new ATOM 0 HG SER A 54 -3.902 5.029 -6.068 1.00 0.00 H new ATOM 703 N VAL A 55 -8.086 3.022 -4.818 1.00 0.00 N ATOM 704 CA VAL A 55 -9.481 2.630 -4.792 1.00 0.00 C ATOM 705 C VAL A 55 -10.310 3.649 -4.019 1.00 0.00 C ATOM 706 O VAL A 55 -9.964 4.037 -2.903 1.00 0.00 O ATOM 707 CB VAL A 55 -9.665 1.214 -4.196 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.942 1.082 -2.866 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.142 0.875 -4.049 1.00 0.00 C ATOM 0 H VAL A 55 -7.598 2.916 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.834 2.602 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.222 0.499 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.089 0.077 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.877 1.263 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.341 1.811 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.246 -0.125 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.617 1.598 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.622 0.909 -5.027 1.00 0.00 H new ATOM 719 N THR A 56 -11.384 4.110 -4.633 1.00 0.00 N ATOM 720 CA THR A 56 -12.252 5.079 -3.996 1.00 0.00 C ATOM 721 C THR A 56 -13.328 4.371 -3.177 1.00 0.00 C ATOM 722 O THR A 56 -13.810 3.301 -3.560 1.00 0.00 O ATOM 723 CB THR A 56 -12.896 6.031 -5.036 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.578 7.105 -4.372 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.870 5.291 -5.949 1.00 0.00 C ATOM 0 H THR A 56 -11.674 3.829 -5.570 1.00 0.00 H new ATOM 0 HA THR A 56 -11.643 5.685 -3.325 1.00 0.00 H new ATOM 0 HB THR A 56 -12.093 6.435 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.979 7.700 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.301 5.991 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.340 4.504 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.666 4.848 -5.350 1.00 0.00 H new ATOM 733 N ALA A 57 -13.679 4.953 -2.041 1.00 0.00 N ATOM 734 CA ALA A 57 -14.692 4.377 -1.171 1.00 0.00 C ATOM 735 C ALA A 57 -16.075 4.525 -1.793 1.00 0.00 C ATOM 736 O ALA A 57 -16.503 5.635 -2.128 1.00 0.00 O ATOM 737 CB ALA A 57 -14.645 5.033 0.200 1.00 0.00 C ATOM 0 H ALA A 57 -13.276 5.826 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.485 3.314 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.409 4.592 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.663 4.876 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.830 6.102 0.098 1.00 0.00 H new ATOM 743 N ASP A 58 -16.765 3.402 -1.948 1.00 0.00 N ATOM 744 CA ASP A 58 -18.100 3.387 -2.538 1.00 0.00 C ATOM 745 C ASP A 58 -19.137 3.964 -1.579 1.00 0.00 C ATOM 746 O ASP A 58 -18.804 4.392 -0.474 1.00 0.00 O ATOM 747 CB ASP A 58 -18.501 1.963 -2.948 1.00 0.00 C ATOM 748 CG ASP A 58 -18.227 0.917 -1.879 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.574 1.147 -0.703 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.666 -0.147 -2.218 1.00 0.00 O ATOM 0 H ASP A 58 -16.420 2.483 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.069 4.014 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.563 1.951 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.963 1.691 -3.856 1.00 0.00 H new ATOM 755 N ALA A 59 -20.399 3.956 -2.008 1.00 0.00 N ATOM 756 CA ALA A 59 -21.496 4.485 -1.198 1.00 0.00 C ATOM 757 C ALA A 59 -21.682 3.677 0.081 1.00 0.00 C ATOM 758 O ALA A 59 -22.232 4.172 1.069 1.00 0.00 O ATOM 759 CB ALA A 59 -22.788 4.507 -2.004 1.00 0.00 C ATOM 0 H ALA A 59 -20.687 3.588 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.240 5.506 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.595 4.903 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.658 5.140 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.037 3.494 -2.320 1.00 0.00 H new ATOM 765 N ASN A 60 -21.212 2.435 0.063 1.00 0.00 N ATOM 766 CA ASN A 60 -21.323 1.558 1.222 1.00 0.00 C ATOM 767 C ASN A 60 -20.263 1.931 2.250 1.00 0.00 C ATOM 768 O ASN A 60 -20.359 1.563 3.421 1.00 0.00 O ATOM 769 CB ASN A 60 -21.149 0.086 0.820 1.00 0.00 C ATOM 770 CG ASN A 60 -22.028 -0.327 -0.345 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.117 0.211 -0.543 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.560 -1.286 -1.130 1.00 0.00 N ATOM 0 H ASN A 60 -20.750 2.013 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.317 1.684 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.106 -0.091 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.375 -0.547 1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.107 -1.602 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.652 -1.708 -0.934 1.00 0.00 H new ATOM 779 N GLY A 61 -19.260 2.672 1.797 1.00 0.00 N ATOM 780 CA GLY A 61 -18.182 3.085 2.667 1.00 0.00 C ATOM 781 C GLY A 61 -17.067 2.063 2.675 1.00 0.00 C ATOM 782 O GLY A 61 -16.344 1.929 3.659 1.00 0.00 O ATOM 0 H GLY A 61 -19.176 2.996 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.794 4.049 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.560 3.223 3.680 1.00 0.00 H new ATOM 786 N SER A 62 -16.935 1.339 1.575 1.00 0.00 N ATOM 787 CA SER A 62 -15.911 0.317 1.457 1.00 0.00 C ATOM 788 C SER A 62 -14.988 0.588 0.274 1.00 0.00 C ATOM 789 O SER A 62 -15.352 1.289 -0.671 1.00 0.00 O ATOM 790 CB SER A 62 -16.571 -1.050 1.305 1.00 0.00 C ATOM 791 OG SER A 62 -17.955 -0.911 1.005 1.00 0.00 O ATOM 0 H SER A 62 -17.526 1.442 0.750 1.00 0.00 H new ATOM 0 HA SER A 62 -15.304 0.333 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.077 -1.612 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.449 -1.622 2.225 1.00 0.00 H new ATOM 0 HG SER A 62 -18.069 -0.265 0.277 1.00 0.00 H new ATOM 797 N ALA A 63 -13.786 0.049 0.359 1.00 0.00 N ATOM 798 CA ALA A 63 -12.799 0.194 -0.691 1.00 0.00 C ATOM 799 C ALA A 63 -12.005 -1.094 -0.837 1.00 0.00 C ATOM 800 O ALA A 63 -11.189 -1.431 0.023 1.00 0.00 O ATOM 801 CB ALA A 63 -11.875 1.366 -0.396 1.00 0.00 C ATOM 0 H ALA A 63 -13.468 -0.501 1.157 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.311 0.396 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.140 1.460 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.460 2.283 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.362 1.196 0.551 1.00 0.00 H new ATOM 807 N SER A 64 -12.269 -1.821 -1.911 1.00 0.00 N ATOM 808 CA SER A 64 -11.584 -3.077 -2.167 1.00 0.00 C ATOM 809 C SER A 64 -10.694 -2.958 -3.400 1.00 0.00 C ATOM 810 O SER A 64 -11.104 -2.400 -4.420 1.00 0.00 O ATOM 811 CB SER A 64 -12.601 -4.205 -2.349 1.00 0.00 C ATOM 812 OG SER A 64 -13.677 -4.064 -1.435 1.00 0.00 O ATOM 0 H SER A 64 -12.954 -1.562 -2.621 1.00 0.00 H new ATOM 0 HA SER A 64 -10.953 -3.311 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.982 -4.197 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.114 -5.168 -2.198 1.00 0.00 H new ATOM 0 HG SER A 64 -14.317 -4.794 -1.568 1.00 0.00 H new ATOM 818 N THR A 65 -9.475 -3.470 -3.296 1.00 0.00 N ATOM 819 CA THR A 65 -8.528 -3.420 -4.396 1.00 0.00 C ATOM 820 C THR A 65 -7.529 -4.577 -4.311 1.00 0.00 C ATOM 821 O THR A 65 -7.441 -5.260 -3.287 1.00 0.00 O ATOM 822 CB THR A 65 -7.777 -2.072 -4.423 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.097 -1.917 -5.674 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.785 -1.959 -3.272 1.00 0.00 C ATOM 0 H THR A 65 -9.120 -3.926 -2.456 1.00 0.00 H new ATOM 0 HA THR A 65 -9.095 -3.517 -5.322 1.00 0.00 H new ATOM 0 HB THR A 65 -8.513 -1.276 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.624 -1.059 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.275 -0.997 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.317 -2.037 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.052 -2.762 -3.343 1.00 0.00 H new ATOM 832 N SER A 66 -6.792 -4.787 -5.396 1.00 0.00 N ATOM 833 CA SER A 66 -5.802 -5.849 -5.475 1.00 0.00 C ATOM 834 C SER A 66 -4.470 -5.291 -5.978 1.00 0.00 C ATOM 835 O SER A 66 -4.432 -4.556 -6.969 1.00 0.00 O ATOM 836 CB SER A 66 -6.299 -6.951 -6.413 1.00 0.00 C ATOM 837 OG SER A 66 -7.592 -7.409 -6.039 1.00 0.00 O ATOM 0 H SER A 66 -6.866 -4.225 -6.244 1.00 0.00 H new ATOM 0 HA SER A 66 -5.651 -6.269 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.327 -6.575 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.598 -7.786 -6.399 1.00 0.00 H new ATOM 0 HG SER A 66 -7.882 -8.111 -6.658 1.00 0.00 H new ATOM 843 N LEU A 67 -3.384 -5.637 -5.296 1.00 0.00 N ATOM 844 CA LEU A 67 -2.060 -5.150 -5.672 1.00 0.00 C ATOM 845 C LEU A 67 -1.115 -6.289 -6.026 1.00 0.00 C ATOM 846 O LEU A 67 -1.159 -7.361 -5.422 1.00 0.00 O ATOM 847 CB LEU A 67 -1.444 -4.320 -4.537 1.00 0.00 C ATOM 848 CG LEU A 67 -1.994 -2.898 -4.372 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.194 -2.238 -5.725 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.292 -2.909 -3.578 1.00 0.00 C ATOM 0 H LEU A 67 -3.393 -6.251 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.193 -4.525 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.591 -4.857 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.369 -4.256 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.262 -2.314 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.585 -1.230 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.240 -2.187 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.901 -2.822 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.663 -1.890 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.033 -3.513 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.111 -3.332 -2.590 1.00 0.00 H new ATOM 862 N THR A 68 -0.256 -6.035 -7.002 1.00 0.00 N ATOM 863 CA THR A 68 0.725 -7.013 -7.439 1.00 0.00 C ATOM 864 C THR A 68 2.098 -6.627 -6.894 1.00 0.00 C ATOM 865 O THR A 68 2.755 -5.725 -7.414 1.00 0.00 O ATOM 866 CB THR A 68 0.780 -7.108 -8.979 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.530 -6.905 -9.530 1.00 0.00 O ATOM 868 CG2 THR A 68 1.307 -8.467 -9.411 1.00 0.00 C ATOM 0 H THR A 68 -0.220 -5.151 -7.509 1.00 0.00 H new ATOM 0 HA THR A 68 0.432 -7.990 -7.055 1.00 0.00 H new ATOM 0 HB THR A 68 1.453 -6.334 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.487 -6.965 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.339 -8.516 -10.499 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.311 -8.612 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.650 -9.249 -9.032 1.00 0.00 H new ATOM 876 N VAL A 69 2.518 -7.302 -5.834 1.00 0.00 N ATOM 877 CA VAL A 69 3.796 -7.008 -5.196 1.00 0.00 C ATOM 878 C VAL A 69 4.982 -7.506 -6.022 1.00 0.00 C ATOM 879 O VAL A 69 5.057 -8.680 -6.397 1.00 0.00 O ATOM 880 CB VAL A 69 3.863 -7.601 -3.765 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.535 -9.091 -3.771 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.231 -7.352 -3.133 1.00 0.00 C ATOM 0 H VAL A 69 1.993 -8.059 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 69 3.864 -5.922 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 69 3.112 -7.093 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.590 -9.480 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.529 -9.241 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.252 -9.619 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.251 -7.778 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.004 -7.821 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.415 -6.279 -3.076 1.00 0.00 H new ATOM 892 N ARG A 70 5.894 -6.588 -6.321 1.00 0.00 N ATOM 893 CA ARG A 70 7.102 -6.909 -7.070 1.00 0.00 C ATOM 894 C ARG A 70 8.269 -7.053 -6.099 1.00 0.00 C ATOM 895 O ARG A 70 8.205 -6.544 -4.977 1.00 0.00 O ATOM 896 CB ARG A 70 7.402 -5.825 -8.114 1.00 0.00 C ATOM 897 CG ARG A 70 6.247 -5.550 -9.066 1.00 0.00 C ATOM 898 CD ARG A 70 5.730 -6.833 -9.696 1.00 0.00 C ATOM 899 NE ARG A 70 4.665 -6.591 -10.662 1.00 0.00 N ATOM 900 CZ ARG A 70 4.162 -7.527 -11.466 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.642 -8.766 -11.440 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.184 -7.217 -12.307 1.00 0.00 N ATOM 0 H ARG A 70 5.818 -5.607 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 70 6.953 -7.849 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.664 -4.901 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.275 -6.125 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.439 -5.056 -8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.573 -4.865 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.553 -7.349 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.362 -7.496 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 70 4.282 -5.648 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.401 -9.006 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.252 -9.477 -12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.820 -6.265 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.796 -7.931 -12.924 1.00 0.00 H new ATOM 916 N ARG A 71 9.325 -7.741 -6.522 1.00 0.00 N ATOM 917 CA ARG A 71 10.489 -7.956 -5.668 1.00 0.00 C ATOM 918 C ARG A 71 11.269 -6.656 -5.480 1.00 0.00 C ATOM 919 O ARG A 71 11.711 -6.340 -4.380 1.00 0.00 O ATOM 920 CB ARG A 71 11.397 -9.032 -6.265 1.00 0.00 C ATOM 921 CG ARG A 71 12.346 -9.656 -5.257 1.00 0.00 C ATOM 922 CD ARG A 71 11.609 -10.584 -4.303 1.00 0.00 C ATOM 923 NE ARG A 71 11.091 -11.776 -4.982 1.00 0.00 N ATOM 924 CZ ARG A 71 11.065 -12.995 -4.442 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.518 -13.190 -3.210 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.561 -14.012 -5.129 1.00 0.00 N ATOM 0 H ARG A 71 9.399 -8.159 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 71 10.138 -8.293 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.778 -9.816 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.979 -8.595 -7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.122 -10.213 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.845 -8.870 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.282 -10.888 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.784 -10.044 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 71 10.727 -11.666 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.888 -12.406 -2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.496 -14.124 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.194 -13.861 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.540 -14.945 -4.717 1.00 0.00 H new ATOM 940 N SER A 72 11.438 -5.911 -6.561 1.00 0.00 N ATOM 941 CA SER A 72 12.147 -4.639 -6.511 1.00 0.00 C ATOM 942 C SER A 72 11.268 -3.553 -7.110 1.00 0.00 C ATOM 943 O SER A 72 10.628 -3.777 -8.136 1.00 0.00 O ATOM 944 CB SER A 72 13.473 -4.733 -7.271 1.00 0.00 C ATOM 945 OG SER A 72 14.193 -5.899 -6.895 1.00 0.00 O ATOM 0 H SER A 72 11.093 -6.165 -7.487 1.00 0.00 H new ATOM 0 HA SER A 72 12.370 -4.392 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.281 -4.750 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.076 -3.848 -7.069 1.00 0.00 H new ATOM 0 HG SER A 72 14.937 -5.649 -6.308 1.00 0.00 H new ATOM 951 N PHE A 73 11.217 -2.394 -6.469 1.00 0.00 N ATOM 952 CA PHE A 73 10.385 -1.301 -6.959 1.00 0.00 C ATOM 953 C PHE A 73 10.943 0.058 -6.551 1.00 0.00 C ATOM 954 O PHE A 73 11.719 0.168 -5.605 1.00 0.00 O ATOM 955 CB PHE A 73 8.954 -1.444 -6.427 1.00 0.00 C ATOM 956 CG PHE A 73 8.842 -1.310 -4.932 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.206 -2.358 -4.101 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.368 -0.140 -4.359 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.099 -2.240 -2.730 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.260 -0.018 -2.987 1.00 0.00 C ATOM 961 CZ PHE A 73 8.626 -1.071 -2.172 1.00 0.00 C ATOM 0 H PHE A 73 11.736 -2.186 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 73 10.381 -1.357 -8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.325 -0.688 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.562 -2.416 -6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.577 -3.277 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.080 0.686 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.386 -3.064 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.890 0.899 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.542 -0.979 -1.099 1.00 0.00 H new ATOM 971 N GLU A 74 10.544 1.089 -7.278 1.00 0.00 N ATOM 972 CA GLU A 74 10.974 2.445 -6.980 1.00 0.00 C ATOM 973 C GLU A 74 10.153 2.992 -5.818 1.00 0.00 C ATOM 974 O GLU A 74 8.920 2.927 -5.837 1.00 0.00 O ATOM 975 CB GLU A 74 10.815 3.350 -8.206 1.00 0.00 C ATOM 976 CG GLU A 74 11.049 2.641 -9.533 1.00 0.00 C ATOM 977 CD GLU A 74 9.767 2.100 -10.128 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.352 0.983 -9.748 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.162 2.792 -10.967 1.00 0.00 O ATOM 0 H GLU A 74 9.921 1.012 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 74 12.029 2.426 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.811 3.774 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.513 4.183 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.510 3.334 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.753 1.822 -9.386 1.00 0.00 H new ATOM 986 N GLY A 75 10.836 3.507 -4.806 1.00 0.00 N ATOM 987 CA GLY A 75 10.147 4.037 -3.651 1.00 0.00 C ATOM 988 C GLY A 75 9.812 5.504 -3.793 1.00 0.00 C ATOM 989 O GLY A 75 10.699 6.340 -4.009 1.00 0.00 O ATOM 0 H GLY A 75 11.853 3.567 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.228 3.473 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.767 3.894 -2.766 1.00 0.00 H new ATOM 993 N PHE A 76 8.536 5.821 -3.653 1.00 0.00 N ATOM 994 CA PHE A 76 8.067 7.188 -3.758 1.00 0.00 C ATOM 995 C PHE A 76 7.281 7.554 -2.514 1.00 0.00 C ATOM 996 O PHE A 76 6.562 6.718 -1.960 1.00 0.00 O ATOM 997 CB PHE A 76 7.181 7.370 -4.993 1.00 0.00 C ATOM 998 CG PHE A 76 7.935 7.592 -6.279 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.827 6.643 -6.760 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.736 8.748 -7.018 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.502 6.841 -7.947 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.408 8.950 -8.212 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.292 7.995 -8.676 1.00 0.00 C ATOM 0 H PHE A 76 7.801 5.140 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 76 8.934 7.842 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.550 6.488 -5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.517 8.218 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.995 5.737 -6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.049 9.500 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.194 6.094 -8.306 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.241 9.853 -8.780 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.818 8.151 -9.607 1.00 0.00 H new ATOM 1013 N LEU A 77 7.429 8.789 -2.067 1.00 0.00 N ATOM 1014 CA LEU A 77 6.722 9.259 -0.890 1.00 0.00 C ATOM 1015 C LEU A 77 5.274 9.571 -1.249 1.00 0.00 C ATOM 1016 O LEU A 77 4.924 9.636 -2.431 1.00 0.00 O ATOM 1017 CB LEU A 77 7.407 10.497 -0.314 1.00 0.00 C ATOM 1018 CG LEU A 77 8.904 10.347 -0.038 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.467 11.643 0.511 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.164 9.201 0.933 1.00 0.00 C ATOM 0 H LEU A 77 8.034 9.485 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 77 6.738 8.476 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.263 11.327 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.908 10.768 0.616 1.00 0.00 H new ATOM 0 HG LEU A 77 9.405 10.116 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.533 11.524 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.316 12.442 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.957 11.897 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.235 9.114 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.652 9.399 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.791 8.270 0.506 1.00 0.00 H new ATOM 1032 N PHE A 78 4.440 9.785 -0.243 1.00 0.00 N ATOM 1033 CA PHE A 78 3.032 10.078 -0.481 1.00 0.00 C ATOM 1034 C PHE A 78 2.869 11.452 -1.118 1.00 0.00 C ATOM 1035 O PHE A 78 1.867 11.724 -1.781 1.00 0.00 O ATOM 1036 CB PHE A 78 2.236 10.003 0.824 1.00 0.00 C ATOM 1037 CG PHE A 78 0.758 9.825 0.619 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.245 8.595 0.247 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.114 10.887 0.790 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.110 8.425 0.050 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.472 10.724 0.594 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.970 9.490 0.221 1.00 0.00 C ATOM 0 H PHE A 78 4.710 9.762 0.740 1.00 0.00 H new ATOM 0 HA PHE A 78 2.642 9.328 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.614 9.174 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.408 10.914 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.913 7.758 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.272 11.853 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.497 7.459 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.143 11.559 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.030 9.360 0.064 1.00 0.00 H new ATOM 1052 N ASP A 79 3.867 12.309 -0.923 1.00 0.00 N ATOM 1053 CA ASP A 79 3.844 13.654 -1.486 1.00 0.00 C ATOM 1054 C ASP A 79 4.002 13.600 -3.004 1.00 0.00 C ATOM 1055 O ASP A 79 3.569 14.512 -3.712 1.00 0.00 O ATOM 1056 CB ASP A 79 4.947 14.526 -0.866 1.00 0.00 C ATOM 1057 CG ASP A 79 6.235 14.531 -1.670 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.925 13.495 -1.710 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.572 15.575 -2.266 1.00 0.00 O ATOM 0 H ASP A 79 4.703 12.095 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 79 2.879 14.104 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.582 15.549 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.158 14.169 0.142 1.00 0.00 H new ATOM 1064 N GLY A 80 4.619 12.530 -3.498 1.00 0.00 N ATOM 1065 CA GLY A 80 4.806 12.375 -4.928 1.00 0.00 C ATOM 1066 C GLY A 80 6.267 12.372 -5.335 1.00 0.00 C ATOM 1067 O GLY A 80 6.592 12.085 -6.488 1.00 0.00 O ATOM 0 H GLY A 80 4.993 11.768 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.342 11.443 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.291 13.184 -5.446 1.00 0.00 H new ATOM 1071 N THR A 81 7.147 12.692 -4.396 1.00 0.00 N ATOM 1072 CA THR A 81 8.576 12.729 -4.675 1.00 0.00 C ATOM 1073 C THR A 81 9.227 11.373 -4.399 1.00 0.00 C ATOM 1074 O THR A 81 8.847 10.673 -3.457 1.00 0.00 O ATOM 1075 CB THR A 81 9.270 13.819 -3.827 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.580 15.065 -3.976 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.723 13.999 -4.241 1.00 0.00 C ATOM 0 H THR A 81 6.897 12.929 -3.436 1.00 0.00 H new ATOM 0 HA THR A 81 8.698 12.966 -5.732 1.00 0.00 H new ATOM 0 HB THR A 81 9.243 13.500 -2.785 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.111 15.281 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.183 14.772 -3.626 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.259 13.060 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.769 14.294 -5.289 1.00 0.00 H new ATOM 1085 N ARG A 82 10.191 10.999 -5.228 1.00 0.00 N ATOM 1086 CA ARG A 82 10.895 9.735 -5.058 1.00 0.00 C ATOM 1087 C ARG A 82 11.975 9.873 -3.990 1.00 0.00 C ATOM 1088 O ARG A 82 12.475 10.972 -3.741 1.00 0.00 O ATOM 1089 CB ARG A 82 11.528 9.282 -6.377 1.00 0.00 C ATOM 1090 CG ARG A 82 12.580 10.242 -6.908 1.00 0.00 C ATOM 1091 CD ARG A 82 13.715 9.502 -7.599 1.00 0.00 C ATOM 1092 NE ARG A 82 14.867 10.373 -7.818 1.00 0.00 N ATOM 1093 CZ ARG A 82 16.061 10.197 -7.248 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.295 9.132 -6.489 1.00 0.00 N ATOM 1095 NH2 ARG A 82 17.026 11.077 -7.471 1.00 0.00 N ATOM 0 H ARG A 82 10.504 11.553 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 82 10.171 8.984 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.982 8.301 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.744 9.165 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.118 10.937 -7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.979 10.836 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.014 8.646 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.367 9.110 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 82 14.751 11.167 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.559 8.442 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.210 9.005 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.853 11.881 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.941 10.950 -7.039 1.00 0.00 H new ATOM 1109 N TRP A 83 12.334 8.762 -3.369 1.00 0.00 N ATOM 1110 CA TRP A 83 13.363 8.772 -2.340 1.00 0.00 C ATOM 1111 C TRP A 83 14.515 7.853 -2.732 1.00 0.00 C ATOM 1112 O TRP A 83 15.688 8.215 -2.613 1.00 0.00 O ATOM 1113 CB TRP A 83 12.771 8.346 -0.996 1.00 0.00 C ATOM 1114 CG TRP A 83 13.628 8.714 0.174 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.580 7.937 0.766 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.614 9.951 0.895 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.156 8.614 1.809 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.581 9.850 1.912 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.880 11.134 0.778 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.832 10.885 2.807 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.126 12.159 1.671 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.096 12.029 2.673 1.00 0.00 C ATOM 0 H TRP A 83 11.931 7.844 -3.558 1.00 0.00 H new ATOM 0 HA TRP A 83 13.750 9.786 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.790 8.806 -0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.619 7.267 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.841 6.935 0.458 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.895 8.253 2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.135 11.245 0.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.581 10.788 3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.561 13.076 1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.266 12.850 3.354 1.00 0.00 H new ATOM 1133 N GLY A 84 14.167 6.668 -3.209 1.00 0.00 N ATOM 1134 CA GLY A 84 15.163 5.698 -3.614 1.00 0.00 C ATOM 1135 C GLY A 84 14.523 4.380 -3.996 1.00 0.00 C ATOM 1136 O GLY A 84 13.341 4.166 -3.734 1.00 0.00 O ATOM 0 H GLY A 84 13.202 6.358 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.731 6.088 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.871 5.539 -2.801 1.00 0.00 H new ATOM 1140 N THR A 85 15.287 3.506 -4.628 1.00 0.00 N ATOM 1141 CA THR A 85 14.785 2.208 -5.040 1.00 0.00 C ATOM 1142 C THR A 85 14.697 1.268 -3.842 1.00 0.00 C ATOM 1143 O THR A 85 15.662 1.108 -3.097 1.00 0.00 O ATOM 1144 CB THR A 85 15.692 1.585 -6.119 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.231 2.613 -6.965 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.918 0.581 -6.960 1.00 0.00 C ATOM 0 H THR A 85 16.264 3.674 -4.868 1.00 0.00 H new ATOM 0 HA THR A 85 13.789 2.351 -5.459 1.00 0.00 H new ATOM 0 HB THR A 85 16.509 1.065 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.807 2.207 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.578 0.154 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.537 -0.214 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.083 1.083 -7.449 1.00 0.00 H new ATOM 1154 N VAL A 86 13.534 0.670 -3.648 1.00 0.00 N ATOM 1155 CA VAL A 86 13.331 -0.253 -2.547 1.00 0.00 C ATOM 1156 C VAL A 86 13.409 -1.685 -3.054 1.00 0.00 C ATOM 1157 O VAL A 86 12.699 -2.062 -3.989 1.00 0.00 O ATOM 1158 CB VAL A 86 11.973 -0.030 -1.853 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.945 -0.702 -0.492 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.666 1.453 -1.718 1.00 0.00 C ATOM 0 H VAL A 86 12.715 0.808 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 86 14.118 -0.070 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 86 11.202 -0.483 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.977 -0.531 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.106 -1.773 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.732 -0.285 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.702 1.582 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.444 1.933 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.631 1.909 -2.707 1.00 0.00 H new ATOM 1170 N ASP A 87 14.274 -2.479 -2.451 1.00 0.00 N ATOM 1171 CA ASP A 87 14.446 -3.856 -2.871 1.00 0.00 C ATOM 1172 C ASP A 87 14.017 -4.831 -1.784 1.00 0.00 C ATOM 1173 O ASP A 87 14.499 -4.774 -0.650 1.00 0.00 O ATOM 1174 CB ASP A 87 15.901 -4.104 -3.255 1.00 0.00 C ATOM 1175 CG ASP A 87 16.117 -5.484 -3.826 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.283 -6.441 -3.043 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.112 -5.625 -5.067 1.00 0.00 O ATOM 0 H ASP A 87 14.867 -2.195 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 87 13.808 -4.025 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.213 -3.358 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.533 -3.974 -2.377 1.00 0.00 H new ATOM 1182 N CYS A 88 13.107 -5.724 -2.138 1.00 0.00 N ATOM 1183 CA CYS A 88 12.612 -6.720 -1.209 1.00 0.00 C ATOM 1184 C CYS A 88 13.127 -8.107 -1.583 1.00 0.00 C ATOM 1185 O CYS A 88 12.500 -9.116 -1.273 1.00 0.00 O ATOM 1186 CB CYS A 88 11.080 -6.718 -1.184 1.00 0.00 C ATOM 1187 SG CYS A 88 10.344 -5.404 -0.150 1.00 0.00 S ATOM 0 H CYS A 88 12.695 -5.777 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 88 12.979 -6.468 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.712 -6.609 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.733 -7.686 -0.822 1.00 0.00 H new ATOM 1192 N THR A 89 14.269 -8.165 -2.261 1.00 0.00 N ATOM 1193 CA THR A 89 14.851 -9.447 -2.640 1.00 0.00 C ATOM 1194 C THR A 89 15.571 -10.050 -1.434 1.00 0.00 C ATOM 1195 O THR A 89 15.710 -11.267 -1.307 1.00 0.00 O ATOM 1196 CB THR A 89 15.832 -9.303 -3.823 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.293 -8.396 -4.794 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.099 -10.647 -4.487 1.00 0.00 C ATOM 0 H THR A 89 14.805 -7.349 -2.556 1.00 0.00 H new ATOM 0 HA THR A 89 14.045 -10.106 -2.962 1.00 0.00 H new ATOM 0 HB THR A 89 16.773 -8.916 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.920 -8.307 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.793 -10.512 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.532 -11.333 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.163 -11.060 -4.862 1.00 0.00 H new ATOM 1206 N THR A 90 16.015 -9.176 -0.543 1.00 0.00 N ATOM 1207 CA THR A 90 16.695 -9.592 0.673 1.00 0.00 C ATOM 1208 C THR A 90 15.970 -9.015 1.890 1.00 0.00 C ATOM 1209 O THR A 90 16.453 -9.082 3.021 1.00 0.00 O ATOM 1210 CB THR A 90 18.179 -9.142 0.668 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.922 -9.857 1.665 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.304 -7.645 0.920 1.00 0.00 C ATOM 0 H THR A 90 15.915 -8.166 -0.642 1.00 0.00 H new ATOM 0 HA THR A 90 16.678 -10.681 0.723 1.00 0.00 H new ATOM 0 HB THR A 90 18.587 -9.364 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.454 -9.802 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.356 -7.361 0.910 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.774 -7.099 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.872 -7.402 1.891 1.00 0.00 H new ATOM 1220 N ALA A 91 14.785 -8.468 1.644 1.00 0.00 N ATOM 1221 CA ALA A 91 13.987 -7.865 2.697 1.00 0.00 C ATOM 1222 C ALA A 91 12.513 -8.192 2.506 1.00 0.00 C ATOM 1223 O ALA A 91 12.140 -8.864 1.544 1.00 0.00 O ATOM 1224 CB ALA A 91 14.200 -6.359 2.710 1.00 0.00 C ATOM 0 H ALA A 91 14.357 -8.431 0.719 1.00 0.00 H new ATOM 0 HA ALA A 91 14.305 -8.275 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.598 -5.913 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.253 -6.142 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.901 -5.941 1.749 1.00 0.00 H new ATOM 1230 N ALA A 92 11.681 -7.712 3.417 1.00 0.00 N ATOM 1231 CA ALA A 92 10.250 -7.955 3.343 1.00 0.00 C ATOM 1232 C ALA A 92 9.503 -6.680 2.972 1.00 0.00 C ATOM 1233 O ALA A 92 9.843 -5.594 3.434 1.00 0.00 O ATOM 1234 CB ALA A 92 9.737 -8.509 4.661 1.00 0.00 C ATOM 0 H ALA A 92 11.973 -7.151 4.217 1.00 0.00 H new ATOM 0 HA ALA A 92 10.069 -8.694 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.664 -8.685 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.245 -9.448 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.934 -7.792 5.458 1.00 0.00 H new ATOM 1240 N CYS A 93 8.495 -6.821 2.134 1.00 0.00 N ATOM 1241 CA CYS A 93 7.690 -5.687 1.698 1.00 0.00 C ATOM 1242 C CYS A 93 6.422 -5.587 2.548 1.00 0.00 C ATOM 1243 O CYS A 93 6.123 -6.489 3.332 1.00 0.00 O ATOM 1244 CB CYS A 93 7.322 -5.840 0.215 1.00 0.00 C ATOM 1245 SG CYS A 93 8.505 -5.096 -0.963 1.00 0.00 S ATOM 0 H CYS A 93 8.209 -7.716 1.736 1.00 0.00 H new ATOM 0 HA CYS A 93 8.271 -4.773 1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.228 -6.902 -0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.342 -5.392 0.053 1.00 0.00 H new ATOM 1250 N GLN A 94 5.686 -4.489 2.414 1.00 0.00 N ATOM 1251 CA GLN A 94 4.451 -4.306 3.169 1.00 0.00 C ATOM 1252 C GLN A 94 3.398 -3.599 2.326 1.00 0.00 C ATOM 1253 O GLN A 94 3.708 -3.014 1.286 1.00 0.00 O ATOM 1254 CB GLN A 94 4.704 -3.527 4.466 1.00 0.00 C ATOM 1255 CG GLN A 94 5.733 -2.420 4.341 1.00 0.00 C ATOM 1256 CD GLN A 94 6.900 -2.603 5.294 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.437 -1.636 5.827 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.307 -3.847 5.515 1.00 0.00 N ATOM 0 H GLN A 94 5.921 -3.715 1.793 1.00 0.00 H new ATOM 0 HA GLN A 94 4.077 -5.295 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.763 -3.095 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.031 -4.225 5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.105 -2.388 3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.255 -1.460 4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.837 -4.627 5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.090 -4.023 6.145 1.00 0.00 H new ATOM 1267 N VAL A 95 2.154 -3.673 2.774 1.00 0.00 N ATOM 1268 CA VAL A 95 1.047 -3.044 2.070 1.00 0.00 C ATOM 1269 C VAL A 95 0.838 -1.620 2.570 1.00 0.00 C ATOM 1270 O VAL A 95 0.610 -1.398 3.759 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.266 -3.836 2.249 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.317 -3.367 1.254 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.021 -5.330 2.101 1.00 0.00 C ATOM 0 H VAL A 95 1.885 -4.165 3.626 1.00 0.00 H new ATOM 0 HA VAL A 95 1.306 -3.032 1.011 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.639 -3.649 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.234 -3.938 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.521 -2.308 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.950 -3.519 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.960 -5.867 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.381 -5.536 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.693 -5.658 2.857 1.00 0.00 H new ATOM 1283 N GLY A 96 0.937 -0.663 1.662 1.00 0.00 N ATOM 1284 CA GLY A 96 0.755 0.726 2.020 1.00 0.00 C ATOM 1285 C GLY A 96 -0.615 1.238 1.640 1.00 0.00 C ATOM 1286 O GLY A 96 -0.902 1.441 0.462 1.00 0.00 O ATOM 0 H GLY A 96 1.142 -0.826 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.901 0.845 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.517 1.330 1.526 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.459 1.438 2.638 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.810 1.925 2.418 1.00 0.00 C ATOM 1292 C LEU A 97 -3.028 3.229 3.170 1.00 0.00 C ATOM 1293 O LEU A 97 -2.861 3.288 4.389 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.838 0.875 2.869 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.276 -0.281 3.707 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.110 0.132 5.163 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.168 -1.508 3.597 1.00 0.00 C ATOM 0 H LEU A 97 -1.229 1.269 3.617 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.944 2.108 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.614 1.376 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.319 0.459 1.984 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.292 -0.535 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.710 -0.705 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.423 0.976 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.078 0.422 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.751 -2.316 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.167 -1.265 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.225 -1.824 2.555 1.00 0.00 H new ATOM 1309 N SER A 98 -3.366 4.281 2.441 1.00 0.00 N ATOM 1310 CA SER A 98 -3.607 5.584 3.042 1.00 0.00 C ATOM 1311 C SER A 98 -4.684 6.343 2.267 1.00 0.00 C ATOM 1312 O SER A 98 -4.848 6.145 1.065 1.00 0.00 O ATOM 1313 CB SER A 98 -2.312 6.400 3.089 1.00 0.00 C ATOM 1314 OG SER A 98 -1.307 5.707 3.813 1.00 0.00 O ATOM 0 H SER A 98 -3.480 4.258 1.428 1.00 0.00 H new ATOM 0 HA SER A 98 -3.959 5.430 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.965 6.599 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.502 7.366 3.556 1.00 0.00 H new ATOM 0 HG SER A 98 -0.487 6.244 3.830 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.427 7.192 2.967 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.487 7.984 2.347 1.00 0.00 C ATOM 1322 C ASP A 99 -5.906 9.233 1.685 1.00 0.00 C ATOM 1323 O ASP A 99 -4.691 9.401 1.634 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.539 8.370 3.395 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.205 9.653 4.132 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.155 9.709 4.799 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.991 10.617 4.032 1.00 0.00 O ATOM 0 H ASP A 99 -5.316 7.351 3.968 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.967 7.382 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.507 8.481 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.638 7.559 4.117 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.781 10.109 1.195 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.359 11.340 0.530 1.00 0.00 C ATOM 1334 C ALA A 100 -5.573 12.259 1.471 1.00 0.00 C ATOM 1335 O ALA A 100 -4.823 13.126 1.019 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.569 12.070 -0.034 1.00 0.00 C ATOM 0 H ALA A 100 -7.792 9.988 1.247 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.692 11.063 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.244 12.986 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.077 11.430 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.255 12.318 0.776 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.767 12.086 2.771 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.065 12.892 3.762 1.00 0.00 C ATOM 1344 C ALA A 101 -3.731 12.250 4.128 1.00 0.00 C ATOM 1345 O ALA A 101 -2.709 12.935 4.237 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.918 13.077 5.006 1.00 0.00 C ATOM 0 H ALA A 101 -6.405 11.394 3.165 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.872 13.872 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.375 13.681 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.848 13.579 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.144 12.103 5.440 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.749 10.938 4.324 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.536 10.222 4.671 1.00 0.00 C ATOM 1354 C GLY A 102 -2.729 9.292 5.854 1.00 0.00 C ATOM 1355 O GLY A 102 -1.758 8.788 6.423 1.00 0.00 O ATOM 0 H GLY A 102 -4.583 10.356 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.200 9.644 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.748 10.939 4.901 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.981 9.055 6.218 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.304 8.187 7.343 1.00 0.00 C ATOM 1361 C ASN A 103 -5.034 6.938 6.867 1.00 0.00 C ATOM 1362 O ASN A 103 -5.108 6.671 5.668 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.170 8.932 8.365 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.369 9.436 9.550 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.311 8.896 9.880 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.875 10.466 10.211 1.00 0.00 N ATOM 0 H ASN A 103 -4.794 9.454 5.748 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.369 7.890 7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.658 9.775 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.959 8.269 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.386 10.840 11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.753 10.886 9.906 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.572 6.177 7.809 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.294 4.970 7.465 1.00 0.00 C ATOM 1375 C GLY A 104 -5.891 3.803 8.342 1.00 0.00 C ATOM 1376 O GLY A 104 -5.520 4.001 9.499 1.00 0.00 O ATOM 0 H GLY A 104 -5.521 6.375 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.365 5.146 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.108 4.721 6.420 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.969 2.568 7.828 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.593 1.371 8.586 1.00 0.00 C ATOM 1382 C PRO A 105 -4.078 1.253 8.734 1.00 0.00 C ATOM 1383 O PRO A 105 -3.324 1.945 8.046 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.138 0.206 7.742 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.961 0.830 6.660 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.436 2.226 6.481 1.00 0.00 C ATOM 0 HA PRO A 105 -5.992 1.390 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.324 -0.385 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.740 -0.468 8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.879 0.262 5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.016 0.844 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.628 2.265 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.212 2.909 6.135 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.638 0.391 9.634 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.214 0.186 9.859 1.00 0.00 C ATOM 1396 C GLU A 106 -1.625 -0.693 8.758 1.00 0.00 C ATOM 1397 O GLU A 106 -2.303 -1.577 8.230 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.979 -0.449 11.226 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.633 -0.106 11.836 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.506 -0.625 13.247 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.111 -1.798 13.419 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.821 0.129 14.190 1.00 0.00 O ATOM 0 H GLU A 106 -4.245 -0.180 10.222 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.715 1.155 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.768 -0.128 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.060 -1.532 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.162 -0.528 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.498 0.976 11.834 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.368 -0.440 8.415 1.00 0.00 N ATOM 1410 CA GLY A 107 0.291 -1.203 7.377 1.00 0.00 C ATOM 1411 C GLY A 107 0.622 -2.614 7.814 1.00 0.00 C ATOM 1412 O GLY A 107 1.023 -2.841 8.958 1.00 0.00 O ATOM 0 H GLY A 107 0.208 0.285 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.350 -1.240 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.208 -0.693 7.083 1.00 0.00 H new ATOM 1416 N VAL A 108 0.453 -3.558 6.900 1.00 0.00 N ATOM 1417 CA VAL A 108 0.727 -4.962 7.174 1.00 0.00 C ATOM 1418 C VAL A 108 1.900 -5.448 6.330 1.00 0.00 C ATOM 1419 O VAL A 108 1.912 -5.266 5.109 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.509 -5.845 6.882 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.269 -7.281 7.322 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.750 -5.280 7.560 1.00 0.00 C ATOM 0 H VAL A 108 0.124 -3.375 5.952 1.00 0.00 H new ATOM 0 HA VAL A 108 0.975 -5.047 8.232 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.675 -5.842 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.153 -7.880 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.587 -7.688 6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.068 -7.305 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.607 -5.917 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.591 -5.244 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.942 -4.274 7.188 1.00 0.00 H new ATOM 1432 N ALA A 109 2.886 -6.050 6.977 1.00 0.00 N ATOM 1433 CA ALA A 109 4.057 -6.556 6.281 1.00 0.00 C ATOM 1434 C ALA A 109 3.815 -7.978 5.785 1.00 0.00 C ATOM 1435 O ALA A 109 3.095 -8.750 6.420 1.00 0.00 O ATOM 1436 CB ALA A 109 5.281 -6.497 7.186 1.00 0.00 C ATOM 0 H ALA A 109 2.898 -6.200 7.986 1.00 0.00 H new ATOM 0 HA ALA A 109 4.244 -5.923 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.149 -6.880 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.464 -5.464 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.107 -7.105 8.074 1.00 0.00 H new ATOM 1442 N ILE A 110 4.411 -8.316 4.650 1.00 0.00 N ATOM 1443 CA ILE A 110 4.257 -9.640 4.069 1.00 0.00 C ATOM 1444 C ILE A 110 5.585 -10.385 4.066 1.00 0.00 C ATOM 1445 O ILE A 110 6.649 -9.777 3.933 1.00 0.00 O ATOM 1446 CB ILE A 110 3.707 -9.578 2.625 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.617 -8.723 1.734 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.288 -9.026 2.624 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.214 -8.720 0.276 1.00 0.00 C ATOM 0 H ILE A 110 5.008 -7.688 4.112 1.00 0.00 H new ATOM 0 HA ILE A 110 3.537 -10.174 4.689 1.00 0.00 H new ATOM 0 HB ILE A 110 3.688 -10.590 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.614 -7.698 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.640 -9.089 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.913 -8.988 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.646 -9.673 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.288 -8.022 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.904 -8.094 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.245 -9.738 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.203 -8.325 0.179 1.00 0.00 H new ATOM 1461 N SER A 111 5.515 -11.696 4.215 1.00 0.00 N ATOM 1462 CA SER A 111 6.706 -12.531 4.230 1.00 0.00 C ATOM 1463 C SER A 111 6.751 -13.406 2.982 1.00 0.00 C ATOM 1464 O SER A 111 5.795 -14.129 2.693 1.00 0.00 O ATOM 1465 CB SER A 111 6.720 -13.399 5.491 1.00 0.00 C ATOM 1466 OG SER A 111 6.138 -12.708 6.588 1.00 0.00 O ATOM 0 H SER A 111 4.641 -12.209 4.328 1.00 0.00 H new ATOM 0 HA SER A 111 7.588 -11.890 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.173 -14.324 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.745 -13.678 5.734 1.00 0.00 H new ATOM 0 HG SER A 111 6.156 -13.281 7.382 1.00 0.00 H new ATOM 1472 N PHE A 112 7.850 -13.326 2.241 1.00 0.00 N ATOM 1473 CA PHE A 112 8.009 -14.113 1.024 1.00 0.00 C ATOM 1474 C PHE A 112 8.422 -15.544 1.352 1.00 0.00 C ATOM 1475 O PHE A 112 9.188 -15.777 2.288 1.00 0.00 O ATOM 1476 CB PHE A 112 9.050 -13.470 0.104 1.00 0.00 C ATOM 1477 CG PHE A 112 8.694 -12.078 -0.341 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.952 -11.875 -1.493 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.108 -10.974 0.385 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.631 -10.599 -1.912 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.788 -9.692 -0.028 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.049 -9.506 -1.179 1.00 0.00 C ATOM 0 H PHE A 112 8.644 -12.725 2.461 1.00 0.00 H new ATOM 0 HA PHE A 112 7.047 -14.138 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.009 -13.441 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.181 -14.100 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.620 -12.725 -2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.688 -11.115 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 112 7.053 -10.456 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.116 -8.840 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.798 -8.508 -1.506 1.00 0.00 H new ATOM 1492 N ASN A 113 7.921 -16.490 0.574 1.00 0.00 N ATOM 1493 CA ASN A 113 8.231 -17.903 0.775 1.00 0.00 C ATOM 1494 C ASN A 113 9.707 -18.177 0.505 1.00 0.00 C ATOM 1495 O ASN A 113 10.331 -18.913 1.296 1.00 0.00 O ATOM 1496 CB ASN A 113 7.337 -18.776 -0.121 1.00 0.00 C ATOM 1497 CG ASN A 113 8.089 -19.887 -0.838 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.372 -20.942 -0.267 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.387 -19.670 -2.107 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.247 -17.626 -0.477 1.00 0.00 O ATOM 0 H ASN A 113 7.293 -16.306 -0.209 1.00 0.00 H new ATOM 0 HA ASN A 113 8.029 -18.158 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.548 -19.218 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.850 -18.142 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.868 -20.389 -2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.136 -18.784 -2.545 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.498 5.482 4.477 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.064 6.723 4.197 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.320 7.141 2.880 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.973 6.223 1.757 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.383 4.935 2.129 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.170 4.615 3.435 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.587 3.376 4.059 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.298 3.400 4.594 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.768 2.246 5.174 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.476 1.037 5.247 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.763 1.059 4.697 1.00 20.00 C HETATM 1519 C6' FLN A 114 4.319 2.193 4.115 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.178 6.543 0.578 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.899 8.417 2.662 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.205 9.241 3.760 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.937 8.786 5.070 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.364 7.532 5.293 1.00 20.00 C HETATM 0 H8 FLN A 114 5.155 7.191 6.307 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.181 9.423 5.920 1.00 20.00 H new HETATM 0 H6' FLN A 114 5.327 2.156 3.703 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.646 10.225 3.601 1.00 20.00 H new HETATM 0 H5' FLN A 114 4.357 0.145 4.726 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.106 8.758 1.648 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.053 0.141 5.701 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.761 2.286 5.588 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.111 4.223 1.350 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.708 4.316 4.559 1.00 20.00 H new