USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 hydrogens (27 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Single : A 1 LEU N :NH3+ -172:sc= 0.156 (180deg=0.107) USER MOD Single : A 2 GLN : amide:sc= -0.813 K(o=-0.81,f=0.057) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0572 K(o=-0.057,f=-0.68) USER MOD Single : A 8 ASN : amide:sc= -3.29! C(o=-3.3!,f=-1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -150:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.14) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.572 K(o=-0.57,f=-3.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-0.66) USER MOD Single : A 46 ASN : amide:sc= -0.586 K(o=-0.59,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= -0.652 K(o=-0.65,f=-0.083) USER MOD Single : A 51 THR OG1 : rot -134:sc= 0.354 USER MOD Single : A 52 THR OG1 : rot 91:sc= 0.831 USER MOD Single : A 57 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 165:sc= -0.522 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.131 (180deg=-0.741) USER MOD Single : A 70 ASN : amide:sc= -4.71! C(o=-4.7!,f=-14!) USER MOD Single : A 72 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.042) USER MOD Single : A 74 GLN : amide:sc= -1.82 K(o=-1.8,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.96) USER MOD Single : A 78 NAG O3 : rot 153:sc= -0.014 USER MOD Single : A 78 NAG O6 : rot 9:sc= 0.591 USER MOD Single : A 79 NAG O3 : rot 147:sc= 0.009 USER MOD Single : A 79 NAG O4 : rot 150:sc= 0.00976 USER MOD Single : A 79 NAG O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.696 -12.148 -7.463 1.00 0.00 N ATOM 2 CA LEU A 1 3.049 -10.844 -8.094 1.00 0.00 C ATOM 3 C LEU A 1 3.617 -9.901 -7.032 1.00 0.00 C ATOM 4 O LEU A 1 3.060 -9.743 -5.963 1.00 0.00 O ATOM 5 CB LEU A 1 1.795 -10.218 -8.710 1.00 0.00 C ATOM 6 CG LEU A 1 1.571 -10.792 -10.109 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.078 -10.758 -10.440 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.338 -9.953 -11.133 1.00 0.00 C ATOM 0 H1 LEU A 1 2.438 -12.833 -8.202 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.512 -12.507 -6.928 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.891 -12.015 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 1 3.794 -11.008 -8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.929 -10.419 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.905 -9.135 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 1 1.928 -11.821 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.083 -11.167 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.470 -11.354 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.278 -9.728 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.179 -10.362 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.980 -8.924 -11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.402 -9.975 -10.898 1.00 0.00 H new ATOM 22 N GLN A 2 4.720 -9.270 -7.316 1.00 0.00 N ATOM 23 CA GLN A 2 5.319 -8.337 -6.325 1.00 0.00 C ATOM 24 C GLN A 2 4.874 -6.910 -6.641 1.00 0.00 C ATOM 25 O GLN A 2 4.534 -6.588 -7.761 1.00 0.00 O ATOM 26 CB GLN A 2 6.844 -8.429 -6.396 1.00 0.00 C ATOM 27 CG GLN A 2 7.294 -9.798 -5.882 1.00 0.00 C ATOM 28 CD GLN A 2 8.778 -9.999 -6.192 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.145 -10.919 -6.894 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.654 -9.169 -5.693 1.00 0.00 N ATOM 0 H GLN A 2 5.233 -9.360 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 2 4.988 -8.606 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.181 -8.285 -7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.296 -7.637 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.124 -9.868 -4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.704 -10.586 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.346 -8.396 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.646 -9.294 -5.893 1.00 0.00 H new ATOM 39 N CYS A 3 4.870 -6.052 -5.661 1.00 0.00 N ATOM 40 CA CYS A 3 4.443 -4.647 -5.907 1.00 0.00 C ATOM 41 C CYS A 3 5.096 -3.725 -4.876 1.00 0.00 C ATOM 42 O CYS A 3 5.473 -4.148 -3.800 1.00 0.00 O ATOM 43 CB CYS A 3 2.923 -4.549 -5.795 1.00 0.00 C ATOM 44 SG CYS A 3 2.158 -5.242 -7.284 1.00 0.00 S ATOM 0 H CYS A 3 5.144 -6.262 -4.701 1.00 0.00 H new ATOM 0 HA CYS A 3 4.752 -4.344 -6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.578 -5.087 -4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.624 -3.508 -5.671 1.00 0.00 H new ATOM 49 N TYR A 4 5.239 -2.468 -5.195 1.00 0.00 N ATOM 50 CA TYR A 4 5.872 -1.520 -4.234 1.00 0.00 C ATOM 51 C TYR A 4 4.821 -1.010 -3.249 1.00 0.00 C ATOM 52 O TYR A 4 4.254 0.049 -3.426 1.00 0.00 O ATOM 53 CB TYR A 4 6.464 -0.336 -5.004 1.00 0.00 C ATOM 54 CG TYR A 4 7.644 -0.805 -5.819 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.919 -0.848 -5.244 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.464 -1.199 -7.151 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.015 -1.285 -5.999 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.559 -1.635 -7.906 1.00 0.00 C ATOM 59 CZ TYR A 4 9.834 -1.679 -7.330 1.00 0.00 C ATOM 60 OH TYR A 4 10.914 -2.109 -8.075 1.00 0.00 O ATOM 0 H TYR A 4 4.945 -2.056 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 4 6.663 -2.033 -3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.708 0.101 -5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.775 0.444 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 4 9.058 -0.544 -4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.480 -1.166 -7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.999 -1.318 -5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.420 -1.938 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 4 10.615 -2.346 -8.978 1.00 0.00 H new ATOM 70 N ASN A 5 4.557 -1.753 -2.208 1.00 0.00 N ATOM 71 CA ASN A 5 3.541 -1.308 -1.213 1.00 0.00 C ATOM 72 C ASN A 5 4.206 -0.409 -0.168 1.00 0.00 C ATOM 73 O ASN A 5 5.203 -0.764 0.427 1.00 0.00 O ATOM 74 CB ASN A 5 2.932 -2.528 -0.522 1.00 0.00 C ATOM 75 CG ASN A 5 1.838 -2.075 0.446 1.00 0.00 C ATOM 76 OD1 ASN A 5 0.762 -1.693 0.029 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.068 -2.100 1.730 1.00 0.00 N ATOM 0 H ASN A 5 5.001 -2.648 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 5 2.756 -0.751 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.516 -3.209 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.704 -3.077 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.345 -1.799 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.971 -2.421 2.080 1.00 0.00 H new ATOM 84 N CYS A 6 3.655 0.752 0.062 1.00 0.00 N ATOM 85 CA CYS A 6 4.248 1.676 1.070 1.00 0.00 C ATOM 86 C CYS A 6 3.212 1.973 2.158 1.00 0.00 C ATOM 87 O CYS A 6 2.050 1.651 2.008 1.00 0.00 O ATOM 88 CB CYS A 6 4.657 2.982 0.384 1.00 0.00 C ATOM 89 SG CYS A 6 6.421 2.928 -0.019 1.00 0.00 S ATOM 0 H CYS A 6 2.818 1.101 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 6 5.125 1.212 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.070 3.127 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.449 3.829 1.038 1.00 0.00 H new ATOM 94 N PRO A 7 3.666 2.580 3.225 1.00 0.00 N ATOM 95 CA PRO A 7 2.802 2.937 4.365 1.00 0.00 C ATOM 96 C PRO A 7 1.993 4.200 4.052 1.00 0.00 C ATOM 97 O PRO A 7 1.090 4.565 4.778 1.00 0.00 O ATOM 98 CB PRO A 7 3.796 3.193 5.501 1.00 0.00 C ATOM 99 CG PRO A 7 5.150 3.526 4.830 1.00 0.00 C ATOM 100 CD PRO A 7 5.083 2.964 3.397 1.00 0.00 C ATOM 0 HA PRO A 7 2.073 2.164 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.462 4.017 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.886 2.317 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.321 4.602 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.976 3.079 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.386 3.710 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.746 2.107 3.274 1.00 0.00 H new ATOM 108 N ASN A 8 2.310 4.869 2.976 1.00 0.00 N ATOM 109 CA ASN A 8 1.558 6.105 2.621 1.00 0.00 C ATOM 110 C ASN A 8 1.742 6.404 1.131 1.00 0.00 C ATOM 111 O ASN A 8 2.540 5.772 0.468 1.00 0.00 O ATOM 112 CB ASN A 8 2.088 7.281 3.443 1.00 0.00 C ATOM 113 CG ASN A 8 1.027 7.720 4.456 1.00 0.00 C ATOM 114 OD1 ASN A 8 0.436 6.898 5.126 1.00 0.00 O ATOM 115 ND2 ASN A 8 0.761 8.990 4.592 1.00 0.00 N ATOM 0 H ASN A 8 3.056 4.613 2.329 1.00 0.00 H new ATOM 0 HA ASN A 8 0.500 5.958 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.003 6.993 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.343 8.112 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.055 9.294 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.259 9.679 4.028 1.00 0.00 H new ATOM 122 N PRO A 9 0.997 7.367 0.652 1.00 0.00 N ATOM 123 CA PRO A 9 1.056 7.783 -0.757 1.00 0.00 C ATOM 124 C PRO A 9 2.302 8.631 -1.000 1.00 0.00 C ATOM 125 O PRO A 9 2.253 9.845 -1.029 1.00 0.00 O ATOM 126 CB PRO A 9 -0.224 8.603 -0.947 1.00 0.00 C ATOM 127 CG PRO A 9 -0.646 9.079 0.463 1.00 0.00 C ATOM 128 CD PRO A 9 0.031 8.130 1.469 1.00 0.00 C ATOM 0 HA PRO A 9 1.118 6.948 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.048 9.452 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.008 8.000 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.335 10.110 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.730 9.051 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.531 8.683 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.695 7.472 1.946 1.00 0.00 H new ATOM 136 N THR A 10 3.420 7.990 -1.170 1.00 0.00 N ATOM 137 CA THR A 10 4.686 8.737 -1.409 1.00 0.00 C ATOM 138 C THR A 10 4.847 9.014 -2.905 1.00 0.00 C ATOM 139 O THR A 10 4.054 8.579 -3.716 1.00 0.00 O ATOM 140 CB THR A 10 5.871 7.904 -0.913 1.00 0.00 C ATOM 141 OG1 THR A 10 7.083 8.575 -1.224 1.00 0.00 O ATOM 142 CG2 THR A 10 5.853 6.534 -1.594 1.00 0.00 C ATOM 0 H THR A 10 3.514 6.974 -1.154 1.00 0.00 H new ATOM 0 HA THR A 10 4.654 9.683 -0.869 1.00 0.00 H new ATOM 0 HB THR A 10 5.797 7.772 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.842 8.044 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.697 5.941 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.922 6.020 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.927 6.663 -2.674 1.00 0.00 H new ATOM 150 N ALA A 11 5.871 9.735 -3.276 1.00 0.00 N ATOM 151 CA ALA A 11 6.085 10.038 -4.719 1.00 0.00 C ATOM 152 C ALA A 11 7.316 9.282 -5.219 1.00 0.00 C ATOM 153 O ALA A 11 8.077 9.777 -6.027 1.00 0.00 O ATOM 154 CB ALA A 11 6.301 11.542 -4.898 1.00 0.00 C ATOM 0 H ALA A 11 6.568 10.127 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 11 5.210 9.727 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.458 11.764 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.424 12.081 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.176 11.854 -4.328 1.00 0.00 H new ATOM 160 N ASP A 12 7.519 8.086 -4.739 1.00 0.00 N ATOM 161 CA ASP A 12 8.701 7.294 -5.179 1.00 0.00 C ATOM 162 C ASP A 12 8.841 6.065 -4.280 1.00 0.00 C ATOM 163 O ASP A 12 9.930 5.671 -3.912 1.00 0.00 O ATOM 164 CB ASP A 12 9.962 8.153 -5.073 1.00 0.00 C ATOM 165 CG ASP A 12 10.505 8.442 -6.474 1.00 0.00 C ATOM 166 OD1 ASP A 12 10.801 7.493 -7.180 1.00 0.00 O ATOM 167 OD2 ASP A 12 10.612 9.607 -6.817 1.00 0.00 O ATOM 0 H ASP A 12 6.916 7.623 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 12 8.568 6.979 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.736 9.088 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.716 7.638 -4.479 1.00 0.00 H new ATOM 172 N CYS A 13 7.743 5.461 -3.919 1.00 0.00 N ATOM 173 CA CYS A 13 7.800 4.261 -3.038 1.00 0.00 C ATOM 174 C CYS A 13 8.806 3.253 -3.597 1.00 0.00 C ATOM 175 O CYS A 13 8.840 2.985 -4.782 1.00 0.00 O ATOM 176 CB CYS A 13 6.417 3.612 -2.968 1.00 0.00 C ATOM 177 SG CYS A 13 6.481 2.161 -1.887 1.00 0.00 S ATOM 0 H CYS A 13 6.805 5.748 -4.198 1.00 0.00 H new ATOM 0 HA CYS A 13 8.113 4.566 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.687 4.328 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.090 3.320 -3.966 1.00 0.00 H new ATOM 182 N LYS A 14 9.621 2.689 -2.749 1.00 0.00 N ATOM 183 CA LYS A 14 10.622 1.692 -3.221 1.00 0.00 C ATOM 184 C LYS A 14 10.630 0.504 -2.260 1.00 0.00 C ATOM 185 O LYS A 14 11.642 -0.140 -2.058 1.00 0.00 O ATOM 186 CB LYS A 14 12.011 2.334 -3.254 1.00 0.00 C ATOM 187 CG LYS A 14 12.229 3.010 -4.609 1.00 0.00 C ATOM 188 CD LYS A 14 13.714 2.948 -4.981 1.00 0.00 C ATOM 189 CE LYS A 14 14.254 4.367 -5.165 1.00 0.00 C ATOM 190 NZ LYS A 14 15.744 4.339 -5.141 1.00 0.00 N ATOM 0 H LYS A 14 9.637 2.876 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 14 10.361 1.354 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.104 3.066 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.777 1.577 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.631 2.515 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.897 4.047 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.274 2.433 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.846 2.375 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.903 4.782 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.879 5.016 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.111 5.304 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.069 3.960 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.092 3.733 -5.911 1.00 0.00 H new ATOM 204 N THR A 15 9.509 0.213 -1.659 1.00 0.00 N ATOM 205 CA THR A 15 9.444 -0.929 -0.704 1.00 0.00 C ATOM 206 C THR A 15 8.918 -2.173 -1.423 1.00 0.00 C ATOM 207 O THR A 15 7.752 -2.503 -1.339 1.00 0.00 O ATOM 208 CB THR A 15 8.504 -0.569 0.450 1.00 0.00 C ATOM 209 OG1 THR A 15 9.084 0.475 1.220 1.00 0.00 O ATOM 210 CG2 THR A 15 8.282 -1.794 1.339 1.00 0.00 C ATOM 0 H THR A 15 8.633 0.719 -1.789 1.00 0.00 H new ATOM 0 HA THR A 15 10.441 -1.135 -0.314 1.00 0.00 H new ATOM 0 HB THR A 15 7.546 -0.240 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.484 0.709 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.613 -1.532 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.838 -2.596 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.237 -2.128 1.744 1.00 0.00 H new ATOM 218 N ALA A 16 9.768 -2.868 -2.127 1.00 0.00 N ATOM 219 CA ALA A 16 9.314 -4.092 -2.846 1.00 0.00 C ATOM 220 C ALA A 16 8.815 -5.123 -1.830 1.00 0.00 C ATOM 221 O ALA A 16 9.478 -5.419 -0.857 1.00 0.00 O ATOM 222 CB ALA A 16 10.483 -4.681 -3.637 1.00 0.00 C ATOM 0 H ALA A 16 10.757 -2.642 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 16 8.506 -3.834 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.152 -5.576 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.840 -3.947 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.291 -4.940 -2.953 1.00 0.00 H new ATOM 228 N VAL A 17 7.650 -5.670 -2.047 1.00 0.00 N ATOM 229 CA VAL A 17 7.112 -6.679 -1.093 1.00 0.00 C ATOM 230 C VAL A 17 6.106 -7.580 -1.813 1.00 0.00 C ATOM 231 O VAL A 17 5.364 -7.139 -2.668 1.00 0.00 O ATOM 232 CB VAL A 17 6.417 -5.964 0.066 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.126 -5.314 -0.435 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.083 -6.978 1.163 1.00 0.00 C ATOM 0 H VAL A 17 7.048 -5.461 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 17 7.931 -7.286 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 17 7.078 -5.196 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.631 -4.804 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.362 -4.592 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.464 -6.081 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.587 -6.469 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.422 -7.745 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.002 -7.443 1.521 1.00 0.00 H new ATOM 244 N ASN A 18 6.077 -8.838 -1.474 1.00 0.00 N ATOM 245 CA ASN A 18 5.122 -9.770 -2.135 1.00 0.00 C ATOM 246 C ASN A 18 3.717 -9.558 -1.563 1.00 0.00 C ATOM 247 O ASN A 18 3.492 -9.706 -0.378 1.00 0.00 O ATOM 248 CB ASN A 18 5.562 -11.214 -1.878 1.00 0.00 C ATOM 249 CG ASN A 18 6.575 -11.641 -2.942 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.280 -11.665 -4.120 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.768 -11.982 -2.534 1.00 0.00 N ATOM 0 H ASN A 18 6.675 -9.262 -0.765 1.00 0.00 H new ATOM 0 HA ASN A 18 5.110 -9.575 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.005 -11.298 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.697 -11.877 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.994 -11.954 -1.540 1.00 0.00 H new ATOM 257 N CYS A 19 2.771 -9.217 -2.395 1.00 0.00 N ATOM 258 CA CYS A 19 1.381 -9.002 -1.898 1.00 0.00 C ATOM 259 C CYS A 19 0.582 -10.298 -2.057 1.00 0.00 C ATOM 260 O CYS A 19 -0.582 -10.282 -2.407 1.00 0.00 O ATOM 261 CB CYS A 19 0.712 -7.891 -2.709 1.00 0.00 C ATOM 262 SG CYS A 19 -0.812 -7.374 -1.881 1.00 0.00 S ATOM 0 H CYS A 19 2.900 -9.078 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 19 1.411 -8.715 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.389 -7.043 -2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.490 -8.244 -3.716 1.00 0.00 H new ATOM 267 N SER A 20 1.199 -11.420 -1.808 1.00 0.00 N ATOM 268 CA SER A 20 0.480 -12.718 -1.951 1.00 0.00 C ATOM 269 C SER A 20 -0.840 -12.668 -1.178 1.00 0.00 C ATOM 270 O SER A 20 -0.900 -12.197 -0.060 1.00 0.00 O ATOM 271 CB SER A 20 1.350 -13.846 -1.397 1.00 0.00 C ATOM 272 OG SER A 20 2.264 -14.269 -2.400 1.00 0.00 O ATOM 0 H SER A 20 2.172 -11.494 -1.511 1.00 0.00 H new ATOM 0 HA SER A 20 0.273 -12.899 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.892 -13.503 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.725 -14.682 -1.082 1.00 0.00 H new ATOM 0 HG SER A 20 2.825 -14.991 -2.048 1.00 0.00 H new ATOM 278 N SER A 21 -1.896 -13.160 -1.765 1.00 0.00 N ATOM 279 CA SER A 21 -3.213 -13.153 -1.067 1.00 0.00 C ATOM 280 C SER A 21 -3.776 -11.729 -1.034 1.00 0.00 C ATOM 281 O SER A 21 -3.096 -10.789 -0.676 1.00 0.00 O ATOM 282 CB SER A 21 -3.034 -13.662 0.363 1.00 0.00 C ATOM 283 OG SER A 21 -3.959 -14.713 0.607 1.00 0.00 O ATOM 0 H SER A 21 -1.904 -13.568 -2.700 1.00 0.00 H new ATOM 0 HA SER A 21 -3.906 -13.801 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.014 -14.018 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.193 -12.850 1.073 1.00 0.00 H new ATOM 0 HG SER A 21 -3.845 -15.043 1.523 1.00 0.00 H new ATOM 289 N ASP A 22 -5.019 -11.567 -1.401 1.00 0.00 N ATOM 290 CA ASP A 22 -5.634 -10.209 -1.384 1.00 0.00 C ATOM 291 C ASP A 22 -5.039 -9.356 -2.507 1.00 0.00 C ATOM 292 O ASP A 22 -4.636 -8.230 -2.292 1.00 0.00 O ATOM 293 CB ASP A 22 -5.359 -9.540 -0.037 1.00 0.00 C ATOM 294 CG ASP A 22 -6.275 -8.324 0.127 1.00 0.00 C ATOM 295 OD1 ASP A 22 -6.364 -7.545 -0.806 1.00 0.00 O ATOM 296 OD2 ASP A 22 -6.870 -8.195 1.184 1.00 0.00 O ATOM 0 H ASP A 22 -5.635 -12.318 -1.712 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.710 -10.301 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.529 -10.248 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.315 -9.232 0.022 1.00 0.00 H new ATOM 301 N PHE A 23 -4.984 -9.876 -3.702 1.00 0.00 N ATOM 302 CA PHE A 23 -4.418 -9.086 -4.831 1.00 0.00 C ATOM 303 C PHE A 23 -4.444 -9.922 -6.115 1.00 0.00 C ATOM 304 O PHE A 23 -4.728 -11.103 -6.098 1.00 0.00 O ATOM 305 CB PHE A 23 -2.975 -8.679 -4.499 1.00 0.00 C ATOM 306 CG PHE A 23 -2.035 -9.825 -4.792 1.00 0.00 C ATOM 307 CD1 PHE A 23 -2.442 -11.142 -4.550 1.00 0.00 C ATOM 308 CD2 PHE A 23 -0.762 -9.569 -5.310 1.00 0.00 C ATOM 309 CE1 PHE A 23 -1.576 -12.203 -4.826 1.00 0.00 C ATOM 310 CE2 PHE A 23 0.107 -10.632 -5.586 1.00 0.00 C ATOM 311 CZ PHE A 23 -0.300 -11.949 -5.344 1.00 0.00 C ATOM 0 H PHE A 23 -5.306 -10.813 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.019 -8.189 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.691 -7.805 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.901 -8.396 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.426 -11.338 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.449 -8.552 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.891 -13.219 -4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.091 -10.435 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.370 -12.769 -5.557 1.00 0.00 H new ATOM 321 N ASP A 24 -4.141 -9.312 -7.228 1.00 0.00 N ATOM 322 CA ASP A 24 -4.140 -10.053 -8.520 1.00 0.00 C ATOM 323 C ASP A 24 -3.842 -9.073 -9.656 1.00 0.00 C ATOM 324 O ASP A 24 -4.360 -9.193 -10.749 1.00 0.00 O ATOM 325 CB ASP A 24 -5.511 -10.694 -8.745 1.00 0.00 C ATOM 326 CG ASP A 24 -5.491 -11.502 -10.043 1.00 0.00 C ATOM 327 OD1 ASP A 24 -5.101 -12.657 -9.993 1.00 0.00 O ATOM 328 OD2 ASP A 24 -5.868 -10.954 -11.065 1.00 0.00 O ATOM 0 H ASP A 24 -3.892 -8.325 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.379 -10.833 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.763 -11.341 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.280 -9.923 -8.796 1.00 0.00 H new ATOM 333 N ALA A 25 -3.017 -8.095 -9.398 1.00 0.00 N ATOM 334 CA ALA A 25 -2.687 -7.090 -10.448 1.00 0.00 C ATOM 335 C ALA A 25 -2.017 -5.881 -9.787 1.00 0.00 C ATOM 336 O ALA A 25 -2.625 -5.183 -9.002 1.00 0.00 O ATOM 337 CB ALA A 25 -3.976 -6.637 -11.138 1.00 0.00 C ATOM 0 H ALA A 25 -2.555 -7.948 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.014 -7.531 -11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.738 -5.902 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.465 -7.497 -11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.645 -6.190 -10.402 1.00 0.00 H new ATOM 343 N CYS A 26 -0.778 -5.618 -10.099 1.00 0.00 N ATOM 344 CA CYS A 26 -0.102 -4.447 -9.476 1.00 0.00 C ATOM 345 C CYS A 26 -0.920 -3.200 -9.785 1.00 0.00 C ATOM 346 O CYS A 26 -1.651 -3.157 -10.752 1.00 0.00 O ATOM 347 CB CYS A 26 1.313 -4.301 -10.038 1.00 0.00 C ATOM 348 SG CYS A 26 2.448 -3.834 -8.704 1.00 0.00 S ATOM 0 H CYS A 26 -0.210 -6.158 -10.752 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.030 -4.586 -8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.634 -5.239 -10.492 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.328 -3.545 -10.824 1.00 0.00 H new ATOM 353 N LEU A 27 -0.828 -2.194 -8.968 1.00 0.00 N ATOM 354 CA LEU A 27 -1.633 -0.972 -9.227 1.00 0.00 C ATOM 355 C LEU A 27 -0.781 0.284 -9.050 1.00 0.00 C ATOM 356 O LEU A 27 -0.133 0.476 -8.040 1.00 0.00 O ATOM 357 CB LEU A 27 -2.809 -0.938 -8.249 1.00 0.00 C ATOM 358 CG LEU A 27 -3.548 0.396 -8.364 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.864 0.182 -9.115 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.841 0.932 -6.960 1.00 0.00 C ATOM 0 H LEU A 27 -0.236 -2.163 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.998 -0.996 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.492 -1.761 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.449 -1.077 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.933 1.113 -8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.394 1.131 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.655 -0.206 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.482 -0.531 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.368 1.883 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.460 0.216 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.904 1.079 -6.424 1.00 0.00 H new ATOM 372 N ILE A 28 -0.802 1.152 -10.023 1.00 0.00 N ATOM 373 CA ILE A 28 -0.027 2.417 -9.922 1.00 0.00 C ATOM 374 C ILE A 28 -0.980 3.584 -10.177 1.00 0.00 C ATOM 375 O ILE A 28 -1.246 3.951 -11.305 1.00 0.00 O ATOM 376 CB ILE A 28 1.101 2.431 -10.959 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.761 3.811 -10.970 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.531 2.132 -12.346 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.188 3.704 -10.427 1.00 0.00 C ATOM 0 H ILE A 28 -1.327 1.037 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 28 0.418 2.502 -8.930 1.00 0.00 H new ATOM 0 HB ILE A 28 1.839 1.671 -10.700 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.776 4.209 -11.984 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.182 4.507 -10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.336 2.143 -13.080 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.058 1.150 -12.341 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.208 2.890 -12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.656 4.689 -10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.161 3.324 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.765 3.023 -11.052 1.00 0.00 H new ATOM 391 N THR A 29 -1.514 4.154 -9.132 1.00 0.00 N ATOM 392 CA THR A 29 -2.467 5.286 -9.297 1.00 0.00 C ATOM 393 C THR A 29 -1.727 6.610 -9.089 1.00 0.00 C ATOM 394 O THR A 29 -0.843 6.716 -8.263 1.00 0.00 O ATOM 395 CB THR A 29 -3.588 5.145 -8.262 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.479 4.119 -8.672 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.353 6.464 -8.135 1.00 0.00 C ATOM 0 H THR A 29 -1.330 3.882 -8.166 1.00 0.00 H new ATOM 0 HA THR A 29 -2.893 5.272 -10.300 1.00 0.00 H new ATOM 0 HB THR A 29 -3.153 4.891 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.380 4.317 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.148 6.354 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.670 7.252 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.787 6.727 -9.100 1.00 0.00 H new ATOM 405 N LYS A 30 -2.082 7.621 -9.835 1.00 0.00 N ATOM 406 CA LYS A 30 -1.396 8.935 -9.681 1.00 0.00 C ATOM 407 C LYS A 30 -2.439 10.041 -9.501 1.00 0.00 C ATOM 408 O LYS A 30 -3.088 10.455 -10.440 1.00 0.00 O ATOM 409 CB LYS A 30 -0.562 9.222 -10.931 1.00 0.00 C ATOM 410 CG LYS A 30 -0.065 10.668 -10.893 1.00 0.00 C ATOM 411 CD LYS A 30 0.883 10.850 -9.706 1.00 0.00 C ATOM 412 CE LYS A 30 1.907 11.939 -10.031 1.00 0.00 C ATOM 413 NZ LYS A 30 3.168 11.305 -10.510 1.00 0.00 N ATOM 0 H LYS A 30 -2.816 7.594 -10.543 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.746 8.904 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.284 8.537 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.161 9.056 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.448 10.912 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.909 11.352 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.318 11.122 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.392 9.911 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.511 12.610 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.104 12.544 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.866 12.044 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.547 10.682 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.973 10.746 -11.365 1.00 0.00 H new ATOM 427 N ALA A 31 -2.601 10.525 -8.299 1.00 0.00 N ATOM 428 CA ALA A 31 -3.599 11.606 -8.060 1.00 0.00 C ATOM 429 C ALA A 31 -2.868 12.889 -7.659 1.00 0.00 C ATOM 430 O ALA A 31 -2.116 12.914 -6.704 1.00 0.00 O ATOM 431 CB ALA A 31 -4.547 11.187 -6.934 1.00 0.00 C ATOM 0 H ALA A 31 -2.086 10.219 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.173 11.780 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.277 11.978 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.065 10.271 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.975 11.014 -6.022 1.00 0.00 H new ATOM 437 N GLY A 32 -3.080 13.956 -8.380 1.00 0.00 N ATOM 438 CA GLY A 32 -2.393 15.234 -8.039 1.00 0.00 C ATOM 439 C GLY A 32 -0.881 15.010 -8.017 1.00 0.00 C ATOM 440 O GLY A 32 -0.283 14.645 -9.009 1.00 0.00 O ATOM 0 H GLY A 32 -3.699 13.998 -9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.647 16.002 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.732 15.594 -7.068 1.00 0.00 H new ATOM 444 N LEU A 33 -0.257 15.225 -6.891 1.00 0.00 N ATOM 445 CA LEU A 33 1.217 15.024 -6.804 1.00 0.00 C ATOM 446 C LEU A 33 1.514 13.776 -5.967 1.00 0.00 C ATOM 447 O LEU A 33 2.643 13.337 -5.871 1.00 0.00 O ATOM 448 CB LEU A 33 1.857 16.246 -6.141 1.00 0.00 C ATOM 449 CG LEU A 33 3.278 16.435 -6.675 1.00 0.00 C ATOM 450 CD1 LEU A 33 3.221 17.013 -8.090 1.00 0.00 C ATOM 451 CD2 LEU A 33 4.037 17.400 -5.761 1.00 0.00 C ATOM 0 H LEU A 33 -0.705 15.531 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 33 1.627 14.895 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.261 17.136 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.879 16.116 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 33 3.789 15.473 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.234 17.147 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.677 16.328 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.711 17.976 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.050 17.537 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.524 18.361 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.078 16.989 -4.752 1.00 0.00 H new ATOM 463 N GLN A 34 0.510 13.203 -5.361 1.00 0.00 N ATOM 464 CA GLN A 34 0.735 11.986 -4.529 1.00 0.00 C ATOM 465 C GLN A 34 0.573 10.732 -5.391 1.00 0.00 C ATOM 466 O GLN A 34 -0.325 10.638 -6.204 1.00 0.00 O ATOM 467 CB GLN A 34 -0.290 11.948 -3.393 1.00 0.00 C ATOM 468 CG GLN A 34 0.199 12.810 -2.230 1.00 0.00 C ATOM 469 CD GLN A 34 -0.427 14.202 -2.332 1.00 0.00 C ATOM 470 OE1 GLN A 34 0.255 15.199 -2.206 1.00 0.00 O ATOM 471 NE2 GLN A 34 -1.709 14.311 -2.556 1.00 0.00 N ATOM 0 H GLN A 34 -0.457 13.525 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 34 1.743 12.017 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.254 12.312 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.440 10.921 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.070 12.347 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.286 12.886 -2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.281 13.473 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.138 15.234 -2.625 1.00 0.00 H new ATOM 480 N VAL A 35 1.429 9.764 -5.210 1.00 0.00 N ATOM 481 CA VAL A 35 1.318 8.514 -6.010 1.00 0.00 C ATOM 482 C VAL A 35 0.780 7.396 -5.116 1.00 0.00 C ATOM 483 O VAL A 35 0.708 7.537 -3.911 1.00 0.00 O ATOM 484 CB VAL A 35 2.695 8.124 -6.544 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.565 6.901 -7.455 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.280 9.292 -7.342 1.00 0.00 C ATOM 0 H VAL A 35 2.200 9.786 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 35 0.640 8.673 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 35 3.353 7.885 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.548 6.624 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.147 6.068 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.907 7.138 -8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.263 9.016 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.620 9.529 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.374 10.164 -6.695 1.00 0.00 H new ATOM 496 N TYR A 36 0.400 6.289 -5.691 1.00 0.00 N ATOM 497 CA TYR A 36 -0.133 5.172 -4.861 1.00 0.00 C ATOM 498 C TYR A 36 0.409 3.839 -5.378 1.00 0.00 C ATOM 499 O TYR A 36 -0.168 3.218 -6.249 1.00 0.00 O ATOM 500 CB TYR A 36 -1.661 5.162 -4.938 1.00 0.00 C ATOM 501 CG TYR A 36 -2.217 6.245 -4.045 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.180 7.582 -4.462 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.770 5.914 -2.803 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.697 8.586 -3.636 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.286 6.919 -1.976 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.250 8.255 -2.393 1.00 0.00 C ATOM 507 OH TYR A 36 -3.760 9.246 -1.579 1.00 0.00 O ATOM 0 H TYR A 36 0.435 6.109 -6.694 1.00 0.00 H new ATOM 0 HA TYR A 36 0.181 5.313 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.985 5.322 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.045 4.189 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.753 7.837 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.799 4.883 -2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.670 9.617 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.712 6.664 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.106 8.846 -0.754 1.00 0.00 H new ATOM 517 N ASN A 37 1.509 3.389 -4.840 1.00 0.00 N ATOM 518 CA ASN A 37 2.082 2.090 -5.292 1.00 0.00 C ATOM 519 C ASN A 37 1.563 0.976 -4.382 1.00 0.00 C ATOM 520 O ASN A 37 2.051 0.778 -3.288 1.00 0.00 O ATOM 521 CB ASN A 37 3.610 2.146 -5.209 1.00 0.00 C ATOM 522 CG ASN A 37 4.151 3.043 -6.324 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.529 4.021 -6.689 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.292 2.749 -6.883 1.00 0.00 N ATOM 0 H ASN A 37 2.036 3.864 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 37 1.786 1.895 -6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.918 2.531 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.026 1.143 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.663 3.340 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.814 1.928 -6.576 1.00 0.00 H new ATOM 531 N LYS A 38 0.569 0.251 -4.817 1.00 0.00 N ATOM 532 CA LYS A 38 0.020 -0.841 -3.966 1.00 0.00 C ATOM 533 C LYS A 38 -0.460 -1.994 -4.844 1.00 0.00 C ATOM 534 O LYS A 38 -0.798 -1.815 -5.998 1.00 0.00 O ATOM 535 CB LYS A 38 -1.158 -0.305 -3.151 1.00 0.00 C ATOM 536 CG LYS A 38 -0.651 0.667 -2.086 1.00 0.00 C ATOM 537 CD LYS A 38 -1.827 1.133 -1.224 1.00 0.00 C ATOM 538 CE LYS A 38 -1.950 2.656 -1.304 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.131 3.213 0.066 1.00 0.00 N ATOM 0 H LYS A 38 0.115 0.368 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 38 0.802 -1.200 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.867 0.198 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.691 -1.130 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.101 0.182 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.170 1.523 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.750 0.665 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.678 0.824 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.058 3.080 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.796 2.931 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.215 4.248 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.994 2.818 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.310 2.962 0.654 1.00 0.00 H new ATOM 553 N CYS A 39 -0.506 -3.177 -4.298 1.00 0.00 N ATOM 554 CA CYS A 39 -0.980 -4.347 -5.087 1.00 0.00 C ATOM 555 C CYS A 39 -2.496 -4.241 -5.244 1.00 0.00 C ATOM 556 O CYS A 39 -3.166 -3.624 -4.441 1.00 0.00 O ATOM 557 CB CYS A 39 -0.627 -5.642 -4.354 1.00 0.00 C ATOM 558 SG CYS A 39 -1.192 -5.540 -2.637 1.00 0.00 S ATOM 0 H CYS A 39 -0.235 -3.384 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.501 -4.356 -6.066 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.094 -6.492 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.450 -5.807 -4.384 1.00 0.00 H new ATOM 563 N TRP A 40 -3.045 -4.815 -6.276 1.00 0.00 N ATOM 564 CA TRP A 40 -4.512 -4.713 -6.472 1.00 0.00 C ATOM 565 C TRP A 40 -5.021 -5.911 -7.274 1.00 0.00 C ATOM 566 O TRP A 40 -4.306 -6.493 -8.061 1.00 0.00 O ATOM 567 CB TRP A 40 -4.806 -3.428 -7.235 1.00 0.00 C ATOM 568 CG TRP A 40 -6.137 -2.910 -6.825 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.316 -3.397 -7.257 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.444 -1.824 -5.911 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.339 -2.672 -6.670 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.849 -1.688 -5.828 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.643 -0.951 -5.154 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.440 -0.714 -5.020 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.233 0.027 -4.339 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.628 0.146 -4.272 1.00 0.00 C ATOM 0 H TRP A 40 -2.543 -5.347 -6.987 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.013 -4.704 -5.504 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.035 -2.685 -7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.791 -3.617 -8.308 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.443 -4.218 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.331 -2.842 -6.837 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.567 -1.034 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.515 -0.625 -4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.609 0.692 -3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.076 0.901 -3.643 1.00 0.00 H new ATOM 587 N LYS A 41 -6.260 -6.281 -7.083 1.00 0.00 N ATOM 588 CA LYS A 41 -6.818 -7.438 -7.838 1.00 0.00 C ATOM 589 C LYS A 41 -7.273 -6.974 -9.223 1.00 0.00 C ATOM 590 O LYS A 41 -7.439 -5.795 -9.469 1.00 0.00 O ATOM 591 CB LYS A 41 -8.013 -8.014 -7.075 1.00 0.00 C ATOM 592 CG LYS A 41 -7.748 -9.484 -6.746 1.00 0.00 C ATOM 593 CD LYS A 41 -8.224 -9.783 -5.324 1.00 0.00 C ATOM 594 CE LYS A 41 -7.545 -11.056 -4.816 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.524 -12.179 -4.822 1.00 0.00 N ATOM 0 H LYS A 41 -6.908 -5.831 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.051 -8.205 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.179 -7.449 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.919 -7.922 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.268 -10.126 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.684 -9.702 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.989 -8.946 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.307 -9.905 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.691 -11.301 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.162 -10.899 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.062 -13.044 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.326 -11.944 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.869 -12.334 -5.791 1.00 0.00 H new ATOM 609 N PHE A 42 -7.484 -7.890 -10.129 1.00 0.00 N ATOM 610 CA PHE A 42 -7.935 -7.498 -11.492 1.00 0.00 C ATOM 611 C PHE A 42 -9.439 -7.240 -11.462 1.00 0.00 C ATOM 612 O PHE A 42 -9.959 -6.440 -12.217 1.00 0.00 O ATOM 613 CB PHE A 42 -7.631 -8.626 -12.480 1.00 0.00 C ATOM 614 CG PHE A 42 -6.835 -8.076 -13.639 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.496 -7.515 -14.737 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.436 -8.124 -13.613 1.00 0.00 C ATOM 617 CE1 PHE A 42 -6.759 -7.001 -15.810 1.00 0.00 C ATOM 618 CE2 PHE A 42 -4.699 -7.612 -14.686 1.00 0.00 C ATOM 619 CZ PHE A 42 -5.360 -7.050 -15.785 1.00 0.00 C ATOM 0 H PHE A 42 -7.363 -8.892 -9.983 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.410 -6.596 -11.806 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.071 -9.418 -11.983 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.559 -9.069 -12.840 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.575 -7.479 -14.757 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.926 -8.556 -12.765 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.269 -6.567 -16.657 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.620 -7.650 -14.667 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.791 -6.654 -16.613 1.00 0.00 H new ATOM 629 N GLU A 43 -10.144 -7.908 -10.591 1.00 0.00 N ATOM 630 CA GLU A 43 -11.614 -7.702 -10.509 1.00 0.00 C ATOM 631 C GLU A 43 -11.890 -6.288 -9.993 1.00 0.00 C ATOM 632 O GLU A 43 -12.739 -5.584 -10.504 1.00 0.00 O ATOM 633 CB GLU A 43 -12.225 -8.727 -9.551 1.00 0.00 C ATOM 634 CG GLU A 43 -13.626 -9.106 -10.036 1.00 0.00 C ATOM 635 CD GLU A 43 -13.631 -10.563 -10.501 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.856 -10.884 -11.389 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.408 -11.334 -9.965 1.00 0.00 O ATOM 0 H GLU A 43 -9.763 -8.588 -9.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.059 -7.828 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.594 -9.614 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.277 -8.314 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.350 -8.968 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.928 -8.452 -10.854 1.00 0.00 H new ATOM 644 N HIS A 44 -11.172 -5.865 -8.988 1.00 0.00 N ATOM 645 CA HIS A 44 -11.383 -4.495 -8.444 1.00 0.00 C ATOM 646 C HIS A 44 -10.525 -3.505 -9.233 1.00 0.00 C ATOM 647 O HIS A 44 -10.308 -2.384 -8.817 1.00 0.00 O ATOM 648 CB HIS A 44 -10.976 -4.461 -6.969 1.00 0.00 C ATOM 649 CG HIS A 44 -11.683 -5.561 -6.227 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.531 -5.749 -4.863 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.550 -6.540 -6.646 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.289 -6.804 -4.511 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.932 -7.324 -5.561 1.00 0.00 N ATOM 0 H HIS A 44 -10.448 -6.410 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.435 -4.223 -8.534 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.897 -4.581 -6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.228 -3.494 -6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.885 -6.680 -7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.368 -7.184 -3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.566 -8.123 -5.566 1.00 0.00 H new ATOM 661 N CYS A 45 -10.030 -3.917 -10.369 1.00 0.00 N ATOM 662 CA CYS A 45 -9.181 -3.011 -11.191 1.00 0.00 C ATOM 663 C CYS A 45 -10.055 -2.252 -12.193 1.00 0.00 C ATOM 664 O CYS A 45 -9.970 -2.462 -13.385 1.00 0.00 O ATOM 665 CB CYS A 45 -8.150 -3.847 -11.951 1.00 0.00 C ATOM 666 SG CYS A 45 -6.550 -3.737 -11.113 1.00 0.00 S ATOM 0 H CYS A 45 -10.178 -4.846 -10.763 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.675 -2.297 -10.542 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.475 -4.886 -12.003 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.061 -3.490 -12.977 1.00 0.00 H new ATOM 671 N ASN A 46 -10.891 -1.369 -11.720 1.00 0.00 N ATOM 672 CA ASN A 46 -11.762 -0.600 -12.653 1.00 0.00 C ATOM 673 C ASN A 46 -11.646 0.894 -12.344 1.00 0.00 C ATOM 674 O ASN A 46 -10.859 1.309 -11.517 1.00 0.00 O ATOM 675 CB ASN A 46 -13.216 -1.045 -12.480 1.00 0.00 C ATOM 676 CG ASN A 46 -13.265 -2.558 -12.252 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.576 -3.307 -12.917 1.00 0.00 O ATOM 678 ND2 ASN A 46 -14.056 -3.043 -11.334 1.00 0.00 N ATOM 0 H ASN A 46 -11.008 -1.147 -10.731 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.446 -0.785 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.668 -0.525 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.796 -0.781 -13.365 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.096 -4.050 -11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.634 -2.415 -10.776 1.00 0.00 H new ATOM 685 N PHE A 47 -12.425 1.707 -13.006 1.00 0.00 N ATOM 686 CA PHE A 47 -12.360 3.174 -12.753 1.00 0.00 C ATOM 687 C PHE A 47 -13.261 3.530 -11.569 1.00 0.00 C ATOM 688 O PHE A 47 -13.559 4.683 -11.328 1.00 0.00 O ATOM 689 CB PHE A 47 -12.833 3.928 -13.996 1.00 0.00 C ATOM 690 CG PHE A 47 -12.634 5.409 -13.790 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.346 5.920 -13.593 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.737 6.271 -13.793 1.00 0.00 C ATOM 693 CE1 PHE A 47 -11.160 7.294 -13.398 1.00 0.00 C ATOM 694 CE2 PHE A 47 -13.551 7.645 -13.599 1.00 0.00 C ATOM 695 CZ PHE A 47 -12.263 8.156 -13.401 1.00 0.00 C ATOM 0 H PHE A 47 -13.103 1.418 -13.711 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.332 3.456 -12.525 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.276 3.593 -14.871 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.885 3.714 -14.186 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.495 5.254 -13.591 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.731 5.876 -13.945 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.166 7.688 -13.245 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.401 8.311 -13.602 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.120 9.216 -13.250 1.00 0.00 H new ATOM 705 N ASN A 48 -13.699 2.550 -10.828 1.00 0.00 N ATOM 706 CA ASN A 48 -14.582 2.832 -9.663 1.00 0.00 C ATOM 707 C ASN A 48 -14.116 2.014 -8.457 1.00 0.00 C ATOM 708 O ASN A 48 -14.000 2.519 -7.358 1.00 0.00 O ATOM 709 CB ASN A 48 -16.021 2.447 -10.010 1.00 0.00 C ATOM 710 CG ASN A 48 -16.981 3.507 -9.468 1.00 0.00 C ATOM 711 OD1 ASN A 48 -18.018 3.760 -10.050 1.00 0.00 O ATOM 712 ND2 ASN A 48 -16.678 4.141 -8.369 1.00 0.00 N ATOM 0 H ASN A 48 -13.483 1.565 -10.980 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.535 3.894 -9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.134 2.358 -11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.260 1.473 -9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.311 4.849 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.808 3.928 -7.881 1.00 0.00 H new ATOM 719 N ASP A 49 -13.853 0.752 -8.653 1.00 0.00 N ATOM 720 CA ASP A 49 -13.402 -0.104 -7.520 1.00 0.00 C ATOM 721 C ASP A 49 -12.064 0.405 -6.980 1.00 0.00 C ATOM 722 O ASP A 49 -11.609 -0.013 -5.933 1.00 0.00 O ATOM 723 CB ASP A 49 -13.238 -1.544 -8.008 1.00 0.00 C ATOM 724 CG ASP A 49 -14.559 -2.295 -7.837 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.474 -2.025 -8.597 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.633 -3.129 -6.950 1.00 0.00 O ATOM 0 H ASP A 49 -13.931 0.275 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.146 -0.066 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.936 -1.552 -9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.449 -2.042 -7.445 1.00 0.00 H new ATOM 731 N VAL A 50 -11.426 1.300 -7.681 1.00 0.00 N ATOM 732 CA VAL A 50 -10.117 1.824 -7.198 1.00 0.00 C ATOM 733 C VAL A 50 -10.272 3.288 -6.783 1.00 0.00 C ATOM 734 O VAL A 50 -9.711 3.725 -5.798 1.00 0.00 O ATOM 735 CB VAL A 50 -9.081 1.722 -8.319 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.792 2.421 -7.885 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.786 0.249 -8.607 1.00 0.00 C ATOM 0 H VAL A 50 -11.753 1.691 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.787 1.236 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.470 2.199 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.053 2.349 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.000 3.470 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.403 1.942 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.048 0.175 -9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.396 -0.227 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.704 -0.253 -8.914 1.00 0.00 H new ATOM 747 N THR A 51 -11.024 4.053 -7.527 1.00 0.00 N ATOM 748 CA THR A 51 -11.206 5.489 -7.172 1.00 0.00 C ATOM 749 C THR A 51 -11.967 5.599 -5.849 1.00 0.00 C ATOM 750 O THR A 51 -11.979 6.635 -5.215 1.00 0.00 O ATOM 751 CB THR A 51 -11.998 6.192 -8.277 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.803 5.240 -8.959 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.028 6.845 -9.263 1.00 0.00 C ATOM 0 H THR A 51 -11.519 3.746 -8.364 1.00 0.00 H new ATOM 0 HA THR A 51 -10.230 5.962 -7.067 1.00 0.00 H new ATOM 0 HB THR A 51 -12.637 6.958 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.722 5.376 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.592 7.346 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.412 7.575 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.389 6.081 -9.705 1.00 0.00 H new ATOM 761 N THR A 52 -12.600 4.541 -5.425 1.00 0.00 N ATOM 762 CA THR A 52 -13.356 4.589 -4.144 1.00 0.00 C ATOM 763 C THR A 52 -12.481 4.046 -3.013 1.00 0.00 C ATOM 764 O THR A 52 -12.440 4.592 -1.929 1.00 0.00 O ATOM 765 CB THR A 52 -14.614 3.730 -4.265 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.030 3.687 -5.622 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.726 4.328 -3.406 1.00 0.00 C ATOM 0 H THR A 52 -12.626 3.645 -5.911 1.00 0.00 H new ATOM 0 HA THR A 52 -13.635 5.620 -3.926 1.00 0.00 H new ATOM 0 HB THR A 52 -14.397 2.719 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.612 2.921 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.623 3.715 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.406 4.357 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.944 5.340 -3.746 1.00 0.00 H new ATOM 775 N ARG A 53 -11.784 2.972 -3.259 1.00 0.00 N ATOM 776 CA ARG A 53 -10.914 2.388 -2.201 1.00 0.00 C ATOM 777 C ARG A 53 -9.809 3.383 -1.845 1.00 0.00 C ATOM 778 O ARG A 53 -9.393 3.485 -0.708 1.00 0.00 O ATOM 779 CB ARG A 53 -10.289 1.092 -2.719 1.00 0.00 C ATOM 780 CG ARG A 53 -11.360 0.001 -2.781 1.00 0.00 C ATOM 781 CD ARG A 53 -11.180 -0.959 -1.605 1.00 0.00 C ATOM 782 NE ARG A 53 -10.751 -2.292 -2.115 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.336 -3.208 -1.282 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.260 -3.005 -0.573 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.997 -4.326 -1.160 1.00 0.00 N ATOM 0 H ARG A 53 -11.779 2.473 -4.149 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.509 2.175 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.860 1.252 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.475 0.781 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.353 0.449 -2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.286 -0.543 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.437 -0.566 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.114 -1.053 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.782 -2.489 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.743 -2.131 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.936 -3.720 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.838 -4.485 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.673 -5.042 -0.509 1.00 0.00 H new ATOM 799 N LEU A 54 -9.327 4.115 -2.810 1.00 0.00 N ATOM 800 CA LEU A 54 -8.249 5.102 -2.533 1.00 0.00 C ATOM 801 C LEU A 54 -8.864 6.396 -1.993 1.00 0.00 C ATOM 802 O LEU A 54 -8.163 7.299 -1.581 1.00 0.00 O ATOM 803 CB LEU A 54 -7.491 5.399 -3.828 1.00 0.00 C ATOM 804 CG LEU A 54 -6.873 4.107 -4.362 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.329 4.344 -5.773 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.731 3.673 -3.442 1.00 0.00 C ATOM 0 H LEU A 54 -9.635 4.071 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.562 4.693 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.168 5.825 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.712 6.139 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.633 3.327 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.889 3.422 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.142 4.655 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.568 5.124 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.289 2.752 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.972 4.454 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.118 3.503 -2.437 1.00 0.00 H new ATOM 818 N ARG A 55 -10.166 6.495 -1.996 1.00 0.00 N ATOM 819 CA ARG A 55 -10.823 7.733 -1.490 1.00 0.00 C ATOM 820 C ARG A 55 -10.478 8.901 -2.415 1.00 0.00 C ATOM 821 O ARG A 55 -10.226 10.004 -1.974 1.00 0.00 O ATOM 822 CB ARG A 55 -10.334 8.040 -0.071 1.00 0.00 C ATOM 823 CG ARG A 55 -10.587 6.833 0.832 1.00 0.00 C ATOM 824 CD ARG A 55 -9.474 6.734 1.878 1.00 0.00 C ATOM 825 NE ARG A 55 -9.206 5.300 2.183 1.00 0.00 N ATOM 826 CZ ARG A 55 -9.174 4.891 3.422 1.00 0.00 C ATOM 827 NH1 ARG A 55 -8.611 5.630 4.338 1.00 0.00 N ATOM 828 NH2 ARG A 55 -9.706 3.744 3.744 1.00 0.00 N ATOM 0 H ARG A 55 -10.803 5.771 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.903 7.587 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.271 8.279 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.852 8.915 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.555 6.930 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.622 5.921 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.568 7.214 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.765 7.262 2.786 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.048 4.638 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.196 6.527 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.586 5.311 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.147 3.167 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.681 3.424 4.712 1.00 0.00 H new ATOM 842 N GLU A 56 -10.466 8.664 -3.697 1.00 0.00 N ATOM 843 CA GLU A 56 -10.137 9.754 -4.661 1.00 0.00 C ATOM 844 C GLU A 56 -10.753 9.421 -6.023 1.00 0.00 C ATOM 845 O GLU A 56 -10.757 8.284 -6.450 1.00 0.00 O ATOM 846 CB GLU A 56 -8.614 9.891 -4.806 1.00 0.00 C ATOM 847 CG GLU A 56 -7.918 8.627 -4.292 1.00 0.00 C ATOM 848 CD GLU A 56 -6.452 8.633 -4.731 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.141 9.340 -5.674 1.00 0.00 O ATOM 850 OE2 GLU A 56 -5.668 7.931 -4.115 1.00 0.00 O ATOM 0 H GLU A 56 -10.670 7.759 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.541 10.696 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.354 10.058 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.265 10.760 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.982 8.581 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.420 7.740 -4.679 1.00 0.00 H new ATOM 857 N ASN A 57 -11.277 10.402 -6.706 1.00 0.00 N ATOM 858 CA ASN A 57 -11.896 10.135 -8.036 1.00 0.00 C ATOM 859 C ASN A 57 -11.211 10.993 -9.102 1.00 0.00 C ATOM 860 O ASN A 57 -11.791 11.312 -10.121 1.00 0.00 O ATOM 861 CB ASN A 57 -13.386 10.480 -7.985 1.00 0.00 C ATOM 862 CG ASN A 57 -13.928 10.208 -6.580 1.00 0.00 C ATOM 863 OD1 ASN A 57 -13.828 11.045 -5.705 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.501 9.063 -6.326 1.00 0.00 N ATOM 0 H ASN A 57 -11.303 11.375 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.775 9.081 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.536 11.527 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.932 9.886 -8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.865 8.871 -5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.585 8.361 -7.061 1.00 0.00 H new ATOM 871 N GLU A 58 -9.984 11.368 -8.876 1.00 0.00 N ATOM 872 CA GLU A 58 -9.264 12.205 -9.876 1.00 0.00 C ATOM 873 C GLU A 58 -7.839 11.678 -10.054 1.00 0.00 C ATOM 874 O GLU A 58 -6.875 12.366 -9.782 1.00 0.00 O ATOM 875 CB GLU A 58 -9.213 13.654 -9.384 1.00 0.00 C ATOM 876 CG GLU A 58 -8.666 13.692 -7.955 1.00 0.00 C ATOM 877 CD GLU A 58 -9.371 14.796 -7.164 1.00 0.00 C ATOM 878 OE1 GLU A 58 -9.777 15.769 -7.778 1.00 0.00 O ATOM 879 OE2 GLU A 58 -9.489 14.650 -5.959 1.00 0.00 O ATOM 0 H GLU A 58 -9.448 11.131 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.788 12.161 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.581 14.250 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.210 14.094 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.820 12.728 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.591 13.872 -7.971 1.00 0.00 H new ATOM 886 N LEU A 59 -7.694 10.463 -10.509 1.00 0.00 N ATOM 887 CA LEU A 59 -6.327 9.902 -10.699 1.00 0.00 C ATOM 888 C LEU A 59 -6.337 8.880 -11.839 1.00 0.00 C ATOM 889 O LEU A 59 -7.360 8.610 -12.436 1.00 0.00 O ATOM 890 CB LEU A 59 -5.850 9.227 -9.402 1.00 0.00 C ATOM 891 CG LEU A 59 -6.974 8.391 -8.767 1.00 0.00 C ATOM 892 CD1 LEU A 59 -8.030 9.311 -8.154 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.630 7.500 -9.823 1.00 0.00 C ATOM 0 H LEU A 59 -8.460 9.837 -10.756 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.644 10.714 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.993 8.588 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.514 9.986 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.542 7.765 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.821 8.709 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.569 9.933 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.453 9.948 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.424 6.913 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.051 8.122 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.883 6.829 -10.248 1.00 0.00 H new ATOM 905 N THR A 60 -5.205 8.307 -12.140 1.00 0.00 N ATOM 906 CA THR A 60 -5.145 7.297 -13.235 1.00 0.00 C ATOM 907 C THR A 60 -4.682 5.958 -12.657 1.00 0.00 C ATOM 908 O THR A 60 -3.523 5.778 -12.337 1.00 0.00 O ATOM 909 CB THR A 60 -4.152 7.763 -14.303 1.00 0.00 C ATOM 910 OG1 THR A 60 -4.336 9.152 -14.543 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.389 6.984 -15.597 1.00 0.00 C ATOM 0 H THR A 60 -4.317 8.494 -11.675 1.00 0.00 H new ATOM 0 HA THR A 60 -6.131 7.181 -13.684 1.00 0.00 H new ATOM 0 HB THR A 60 -3.134 7.585 -13.956 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.700 9.453 -15.225 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.682 7.317 -16.357 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.248 5.919 -15.412 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.406 7.160 -15.947 1.00 0.00 H new ATOM 919 N TYR A 61 -5.577 5.019 -12.511 1.00 0.00 N ATOM 920 CA TYR A 61 -5.180 3.699 -11.944 1.00 0.00 C ATOM 921 C TYR A 61 -4.745 2.759 -13.073 1.00 0.00 C ATOM 922 O TYR A 61 -5.522 2.407 -13.937 1.00 0.00 O ATOM 923 CB TYR A 61 -6.367 3.093 -11.181 1.00 0.00 C ATOM 924 CG TYR A 61 -7.357 2.486 -12.151 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.381 3.271 -12.694 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.248 1.135 -12.505 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.297 2.704 -13.591 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.164 0.569 -13.400 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.187 1.354 -13.944 1.00 0.00 C ATOM 930 OH TYR A 61 -10.090 0.795 -14.828 1.00 0.00 O ATOM 0 H TYR A 61 -6.562 5.108 -12.759 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.344 3.835 -11.258 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.012 2.330 -10.488 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.857 3.863 -10.585 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.465 4.313 -12.422 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.457 0.530 -12.087 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.088 3.309 -14.010 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.081 -0.473 -13.671 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.744 -0.064 -15.150 1.00 0.00 H new ATOM 940 N TYR A 62 -3.504 2.350 -13.073 1.00 0.00 N ATOM 941 CA TYR A 62 -3.025 1.434 -14.146 1.00 0.00 C ATOM 942 C TYR A 62 -2.650 0.084 -13.530 1.00 0.00 C ATOM 943 O TYR A 62 -1.668 -0.037 -12.826 1.00 0.00 O ATOM 944 CB TYR A 62 -1.800 2.045 -14.830 1.00 0.00 C ATOM 945 CG TYR A 62 -1.335 1.135 -15.941 1.00 0.00 C ATOM 946 CD1 TYR A 62 -2.219 0.763 -16.962 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.017 0.662 -15.950 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.785 -0.079 -17.992 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.416 -0.182 -16.980 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.467 -0.553 -18.001 1.00 0.00 C ATOM 951 OH TYR A 62 -0.038 -1.383 -19.015 1.00 0.00 O ATOM 0 H TYR A 62 -2.804 2.610 -12.378 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.815 1.290 -14.883 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.047 3.028 -15.231 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.999 2.188 -14.104 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.236 1.126 -16.954 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.665 0.948 -15.163 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.466 -0.363 -18.780 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.432 -0.547 -16.987 1.00 0.00 H new ATOM 0 HH TYR A 62 0.902 -1.618 -18.870 1.00 0.00 H new ATOM 961 N CYS A 63 -3.427 -0.932 -13.787 1.00 0.00 N ATOM 962 CA CYS A 63 -3.117 -2.272 -13.213 1.00 0.00 C ATOM 963 C CYS A 63 -2.088 -2.983 -14.091 1.00 0.00 C ATOM 964 O CYS A 63 -1.935 -2.677 -15.257 1.00 0.00 O ATOM 965 CB CYS A 63 -4.399 -3.101 -13.140 1.00 0.00 C ATOM 966 SG CYS A 63 -5.597 -2.248 -12.086 1.00 0.00 S ATOM 0 H CYS A 63 -4.263 -0.892 -14.370 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.706 -2.153 -12.210 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.812 -3.244 -14.139 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.184 -4.092 -12.739 1.00 0.00 H new ATOM 971 N CYS A 64 -1.373 -3.924 -13.536 1.00 0.00 N ATOM 972 CA CYS A 64 -0.346 -4.646 -14.340 1.00 0.00 C ATOM 973 C CYS A 64 -0.269 -6.106 -13.888 1.00 0.00 C ATOM 974 O CYS A 64 -0.901 -6.504 -12.931 1.00 0.00 O ATOM 975 CB CYS A 64 1.013 -3.977 -14.128 1.00 0.00 C ATOM 976 SG CYS A 64 2.067 -4.264 -15.571 1.00 0.00 S ATOM 0 H CYS A 64 -1.455 -4.223 -12.564 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.617 -4.611 -15.395 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.881 -2.907 -13.969 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.490 -4.376 -13.233 1.00 0.00 H new ATOM 981 N LYS A 65 0.507 -6.905 -14.570 1.00 0.00 N ATOM 982 CA LYS A 65 0.630 -8.338 -14.178 1.00 0.00 C ATOM 983 C LYS A 65 2.103 -8.754 -14.231 1.00 0.00 C ATOM 984 O LYS A 65 2.426 -9.902 -14.464 1.00 0.00 O ATOM 985 CB LYS A 65 -0.183 -9.207 -15.140 1.00 0.00 C ATOM 986 CG LYS A 65 -0.893 -10.311 -14.355 1.00 0.00 C ATOM 987 CD LYS A 65 -0.645 -11.661 -15.030 1.00 0.00 C ATOM 988 CE LYS A 65 -1.664 -11.866 -16.153 1.00 0.00 C ATOM 989 NZ LYS A 65 -1.699 -13.306 -16.536 1.00 0.00 N ATOM 0 H LYS A 65 1.060 -6.627 -15.381 1.00 0.00 H new ATOM 0 HA LYS A 65 0.250 -8.471 -13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.913 -8.596 -15.670 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.472 -9.645 -15.893 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.528 -10.334 -13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.963 -10.107 -14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.367 -11.698 -15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.727 -12.465 -14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.652 -11.542 -15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.398 -11.256 -17.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.392 -13.445 -17.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.757 -13.601 -16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.973 -13.878 -15.712 1.00 0.00 H new ATOM 1003 N LYS A 66 2.998 -7.827 -14.018 1.00 0.00 N ATOM 1004 CA LYS A 66 4.449 -8.166 -14.054 1.00 0.00 C ATOM 1005 C LYS A 66 5.073 -7.887 -12.686 1.00 0.00 C ATOM 1006 O LYS A 66 4.702 -6.953 -12.002 1.00 0.00 O ATOM 1007 CB LYS A 66 5.147 -7.316 -15.118 1.00 0.00 C ATOM 1008 CG LYS A 66 5.072 -8.029 -16.470 1.00 0.00 C ATOM 1009 CD LYS A 66 6.414 -7.892 -17.195 1.00 0.00 C ATOM 1010 CE LYS A 66 6.418 -6.607 -18.026 1.00 0.00 C ATOM 1011 NZ LYS A 66 6.664 -5.438 -17.134 1.00 0.00 N ATOM 0 H LYS A 66 2.786 -6.849 -13.821 1.00 0.00 H new ATOM 0 HA LYS A 66 4.569 -9.222 -14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.673 -6.336 -15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.188 -7.149 -14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.831 -9.082 -16.325 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.274 -7.600 -17.076 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.229 -7.872 -16.472 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.581 -8.755 -17.840 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.190 -6.661 -18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.464 -6.491 -18.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.984 -4.628 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.784 -5.187 -16.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.396 -5.682 -16.436 1.00 0.00 H new ATOM 1025 N ASP A 67 6.015 -8.692 -12.277 1.00 0.00 N ATOM 1026 CA ASP A 67 6.660 -8.477 -10.950 1.00 0.00 C ATOM 1027 C ASP A 67 7.114 -7.020 -10.829 1.00 0.00 C ATOM 1028 O ASP A 67 7.867 -6.524 -11.643 1.00 0.00 O ATOM 1029 CB ASP A 67 7.871 -9.403 -10.816 1.00 0.00 C ATOM 1030 CG ASP A 67 7.420 -10.856 -10.974 1.00 0.00 C ATOM 1031 OD1 ASP A 67 6.829 -11.376 -10.042 1.00 0.00 O ATOM 1032 OD2 ASP A 67 7.673 -11.424 -12.023 1.00 0.00 O ATOM 0 H ASP A 67 6.367 -9.491 -12.805 1.00 0.00 H new ATOM 0 HA ASP A 67 5.943 -8.698 -10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.616 -9.158 -11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.345 -9.261 -9.845 1.00 0.00 H new ATOM 1037 N LEU A 68 6.660 -6.330 -9.818 1.00 0.00 N ATOM 1038 CA LEU A 68 7.061 -4.908 -9.644 1.00 0.00 C ATOM 1039 C LEU A 68 6.764 -4.144 -10.932 1.00 0.00 C ATOM 1040 O LEU A 68 7.637 -3.546 -11.529 1.00 0.00 O ATOM 1041 CB LEU A 68 8.558 -4.831 -9.330 1.00 0.00 C ATOM 1042 CG LEU A 68 8.885 -5.757 -8.157 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.392 -6.012 -8.114 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.445 -5.099 -6.847 1.00 0.00 C ATOM 0 H LEU A 68 6.027 -6.692 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 68 6.501 -4.466 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.139 -5.119 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.836 -3.806 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 68 8.358 -6.702 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.626 -6.672 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.708 -6.481 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.918 -5.066 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.678 -5.759 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.972 -4.153 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.371 -4.915 -6.875 1.00 0.00 H new ATOM 1056 N CYS A 69 5.536 -4.170 -11.371 1.00 0.00 N ATOM 1057 CA CYS A 69 5.177 -3.454 -12.629 1.00 0.00 C ATOM 1058 C CYS A 69 4.491 -2.124 -12.299 1.00 0.00 C ATOM 1059 O CYS A 69 3.889 -1.501 -13.150 1.00 0.00 O ATOM 1060 CB CYS A 69 4.226 -4.328 -13.451 1.00 0.00 C ATOM 1061 SG CYS A 69 3.861 -3.512 -15.025 1.00 0.00 S ATOM 0 H CYS A 69 4.765 -4.656 -10.913 1.00 0.00 H new ATOM 0 HA CYS A 69 6.083 -3.254 -13.200 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.677 -5.304 -13.631 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.304 -4.501 -12.897 1.00 0.00 H new ATOM 1066 N ASN A 70 4.578 -1.679 -11.074 1.00 0.00 N ATOM 1067 CA ASN A 70 3.930 -0.386 -10.705 1.00 0.00 C ATOM 1068 C ASN A 70 4.983 0.567 -10.131 1.00 0.00 C ATOM 1069 O ASN A 70 4.937 0.942 -8.976 1.00 0.00 O ATOM 1070 CB ASN A 70 2.836 -0.636 -9.661 1.00 0.00 C ATOM 1071 CG ASN A 70 3.472 -1.057 -8.335 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.479 -1.736 -8.319 1.00 0.00 O ATOM 1073 ND2 ASN A 70 2.923 -0.677 -7.213 1.00 0.00 N ATOM 0 H ASN A 70 5.068 -2.153 -10.315 1.00 0.00 H new ATOM 0 HA ASN A 70 3.482 0.061 -11.593 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.242 0.267 -9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.156 -1.413 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.340 -0.950 -6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.077 -0.107 -7.226 1.00 0.00 H new ATOM 1080 N PHE A 71 5.935 0.960 -10.933 1.00 0.00 N ATOM 1081 CA PHE A 71 6.993 1.886 -10.439 1.00 0.00 C ATOM 1082 C PHE A 71 6.740 3.292 -10.988 1.00 0.00 C ATOM 1083 O PHE A 71 5.695 3.576 -11.538 1.00 0.00 O ATOM 1084 CB PHE A 71 8.361 1.393 -10.912 1.00 0.00 C ATOM 1085 CG PHE A 71 8.235 0.833 -12.307 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.167 1.696 -13.407 1.00 0.00 C ATOM 1087 CD2 PHE A 71 8.186 -0.552 -12.500 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.050 1.174 -14.701 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.068 -1.074 -13.793 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.000 -0.213 -14.894 1.00 0.00 C ATOM 0 H PHE A 71 6.026 0.679 -11.909 1.00 0.00 H new ATOM 0 HA PHE A 71 6.972 1.913 -9.350 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.079 2.213 -10.900 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.739 0.628 -10.234 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.205 2.765 -13.258 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.239 -1.218 -11.651 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.998 1.840 -15.550 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.029 -2.143 -13.941 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.909 -0.617 -15.891 1.00 0.00 H new ATOM 1100 N ASN A 72 7.690 4.174 -10.840 1.00 0.00 N ATOM 1101 CA ASN A 72 7.504 5.560 -11.351 1.00 0.00 C ATOM 1102 C ASN A 72 8.050 5.663 -12.776 1.00 0.00 C ATOM 1103 O ASN A 72 8.992 6.383 -13.040 1.00 0.00 O ATOM 1104 CB ASN A 72 8.253 6.540 -10.444 1.00 0.00 C ATOM 1105 CG ASN A 72 7.249 7.337 -9.610 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.517 6.776 -8.820 1.00 0.00 O ATOM 1107 ND2 ASN A 72 7.185 8.633 -9.752 1.00 0.00 N ATOM 0 H ASN A 72 8.586 3.994 -10.387 1.00 0.00 H new ATOM 0 HA ASN A 72 6.442 5.804 -11.355 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.935 5.997 -9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.860 7.217 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.520 9.174 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.800 9.104 -10.416 1.00 0.00 H new ATOM 1114 N GLU A 73 7.465 4.950 -13.699 1.00 0.00 N ATOM 1115 CA GLU A 73 7.950 5.013 -15.107 1.00 0.00 C ATOM 1116 C GLU A 73 6.970 4.270 -16.017 1.00 0.00 C ATOM 1117 O GLU A 73 7.354 3.666 -16.999 1.00 0.00 O ATOM 1118 CB GLU A 73 9.333 4.366 -15.203 1.00 0.00 C ATOM 1119 CG GLU A 73 10.055 4.889 -16.447 1.00 0.00 C ATOM 1120 CD GLU A 73 11.464 4.295 -16.507 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.577 3.082 -16.449 1.00 0.00 O ATOM 1122 OE2 GLU A 73 12.405 5.064 -16.610 1.00 0.00 O ATOM 0 H GLU A 73 6.673 4.327 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 73 8.018 6.054 -15.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.915 4.592 -14.310 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.236 3.282 -15.254 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.497 4.620 -17.344 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.109 5.977 -16.419 1.00 0.00 H new ATOM 1129 N GLN A 74 5.706 4.314 -15.700 1.00 0.00 N ATOM 1130 CA GLN A 74 4.697 3.616 -16.544 1.00 0.00 C ATOM 1131 C GLN A 74 3.794 4.655 -17.211 1.00 0.00 C ATOM 1132 O GLN A 74 3.866 4.883 -18.403 1.00 0.00 O ATOM 1133 CB GLN A 74 3.851 2.690 -15.669 1.00 0.00 C ATOM 1134 CG GLN A 74 3.358 1.508 -16.505 1.00 0.00 C ATOM 1135 CD GLN A 74 4.502 0.511 -16.704 1.00 0.00 C ATOM 1136 OE1 GLN A 74 5.589 0.886 -17.097 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.301 -0.754 -16.450 1.00 0.00 N ATOM 0 H GLN A 74 5.327 4.805 -14.890 1.00 0.00 H new ATOM 0 HA GLN A 74 5.204 3.026 -17.308 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.440 2.331 -14.825 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.003 3.236 -15.257 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.520 1.021 -16.007 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.995 1.859 -17.471 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.389 -1.069 -16.120 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.056 -1.427 -16.581 1.00 0.00 H new ATOM 1146 N LEU A 75 2.948 5.293 -16.449 1.00 0.00 N ATOM 1147 CA LEU A 75 2.046 6.323 -17.036 1.00 0.00 C ATOM 1148 C LEU A 75 2.577 7.717 -16.690 1.00 0.00 C ATOM 1149 O LEU A 75 1.977 8.720 -17.020 1.00 0.00 O ATOM 1150 CB LEU A 75 0.636 6.153 -16.464 1.00 0.00 C ATOM 1151 CG LEU A 75 0.698 6.149 -14.936 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.136 7.307 -14.385 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.139 4.826 -14.407 1.00 0.00 C ATOM 0 H LEU A 75 2.843 5.145 -15.445 1.00 0.00 H new ATOM 0 HA LEU A 75 2.012 6.205 -18.119 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.007 6.962 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.197 5.222 -16.822 1.00 0.00 H new ATOM 0 HG LEU A 75 1.734 6.263 -14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.090 7.302 -13.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.259 8.251 -14.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.172 7.194 -14.705 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.183 4.822 -13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.896 4.714 -14.729 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.732 3.999 -14.797 1.00 0.00 H new ATOM 1165 N GLU A 76 3.701 7.786 -16.025 1.00 0.00 N ATOM 1166 CA GLU A 76 4.271 9.114 -15.657 1.00 0.00 C ATOM 1167 C GLU A 76 4.866 9.776 -16.902 1.00 0.00 C ATOM 1168 O GLU A 76 5.030 9.152 -17.932 1.00 0.00 O ATOM 1169 CB GLU A 76 5.370 8.922 -14.608 1.00 0.00 C ATOM 1170 CG GLU A 76 4.905 9.501 -13.270 1.00 0.00 C ATOM 1171 CD GLU A 76 4.440 8.365 -12.356 1.00 0.00 C ATOM 1172 OE1 GLU A 76 3.679 7.532 -12.820 1.00 0.00 O ATOM 1173 OE2 GLU A 76 4.854 8.347 -11.208 1.00 0.00 O ATOM 0 H GLU A 76 4.248 6.980 -15.722 1.00 0.00 H new ATOM 0 HA GLU A 76 3.484 9.748 -15.249 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.601 7.862 -14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.286 9.416 -14.931 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.718 10.052 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.092 10.209 -13.431 1.00 0.00 H new ATOM 1180 N ASN A 77 5.192 11.037 -16.816 1.00 0.00 N ATOM 1181 CA ASN A 77 5.776 11.738 -17.994 1.00 0.00 C ATOM 1182 C ASN A 77 4.761 11.750 -19.139 1.00 0.00 C ATOM 1183 O ASN A 77 3.854 10.935 -19.109 1.00 0.00 O ATOM 1184 CB ASN A 77 7.042 11.007 -18.443 1.00 0.00 C ATOM 1185 CG ASN A 77 7.944 10.756 -17.234 1.00 0.00 C ATOM 1186 OD1 ASN A 77 8.751 11.592 -16.879 1.00 0.00 O ATOM 1187 ND2 ASN A 77 7.838 9.632 -16.580 1.00 0.00 N ATOM 1188 OXT ASN A 77 4.907 12.575 -20.026 1.00 0.00 O ATOM 0 H ASN A 77 5.079 11.612 -15.981 1.00 0.00 H new ATOM 0 HA ASN A 77 6.024 12.763 -17.720 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.780 10.061 -18.917 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.572 11.600 -19.188 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.433 9.455 -15.770 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.160 8.930 -16.878 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 8.769 -12.402 -3.494 1.00 0.00 C HETATM 1197 C2 NAG A 78 10.129 -11.840 -3.097 1.00 0.00 C HETATM 1198 C3 NAG A 78 11.156 -12.274 -4.128 1.00 0.00 C HETATM 1199 C4 NAG A 78 11.181 -13.791 -4.164 1.00 0.00 C HETATM 1200 C5 NAG A 78 9.789 -14.297 -4.534 1.00 0.00 C HETATM 1201 C6 NAG A 78 9.703 -15.810 -4.583 1.00 0.00 C HETATM 1202 C7 NAG A 78 10.905 -9.745 -2.256 1.00 0.00 C HETATM 1203 C8 NAG A 78 10.795 -8.230 -2.223 1.00 0.00 C HETATM 1204 N2 NAG A 78 10.073 -10.392 -3.025 1.00 0.00 N HETATM 1205 O3 NAG A 78 12.437 -11.765 -3.783 1.00 0.00 O HETATM 1206 O4 NAG A 78 12.146 -14.244 -5.133 1.00 0.00 O HETATM 1207 O5 NAG A 78 8.822 -13.837 -3.562 1.00 0.00 O HETATM 1208 O6 NAG A 78 8.655 -16.294 -3.756 1.00 0.00 O HETATM 1209 O7 NAG A 78 11.735 -10.334 -1.591 1.00 0.00 O HETATM 0 HO6 NAG A 78 8.112 -15.541 -3.442 1.00 0.00 H new HETATM 0 HO3 NAG A 78 13.132 -12.351 -4.150 1.00 0.00 H new HETATM 0 HN2 NAG A 78 9.383 -9.880 -3.575 1.00 0.00 H new HETATM 0 H83 NAG A 78 10.959 -7.831 -3.224 1.00 0.00 H new HETATM 0 H82 NAG A 78 9.802 -7.945 -1.877 1.00 0.00 H new HETATM 0 H81 NAG A 78 11.546 -7.825 -1.544 1.00 0.00 H new HETATM 0 H62 NAG A 78 9.537 -16.134 -5.611 1.00 0.00 H new HETATM 0 H61 NAG A 78 10.651 -16.241 -4.262 1.00 0.00 H new HETATM 0 H5 NAG A 78 9.579 -13.904 -5.529 1.00 0.00 H new HETATM 0 H4 NAG A 78 11.465 -14.179 -3.186 1.00 0.00 H new HETATM 0 H3 NAG A 78 10.891 -11.885 -5.111 1.00 0.00 H new HETATM 0 H2 NAG A 78 10.410 -12.219 -2.115 1.00 0.00 H new HETATM 1223 C1 NAG A 79 13.240 -14.925 -4.626 1.00 0.00 C HETATM 1224 C2 NAG A 79 13.568 -16.117 -5.517 1.00 0.00 C HETATM 1225 C3 NAG A 79 14.790 -16.822 -4.955 1.00 0.00 C HETATM 1226 C4 NAG A 79 15.936 -15.827 -4.920 1.00 0.00 C HETATM 1227 C5 NAG A 79 15.537 -14.644 -4.042 1.00 0.00 C HETATM 1228 C6 NAG A 79 16.615 -13.583 -3.954 1.00 0.00 C HETATM 1229 C7 NAG A 79 11.853 -17.271 -6.710 1.00 0.00 C HETATM 1230 C8 NAG A 79 10.677 -18.234 -6.698 1.00 0.00 C HETATM 1231 N2 NAG A 79 12.442 -17.027 -5.570 1.00 0.00 N HETATM 1232 O3 NAG A 79 15.127 -17.936 -5.769 1.00 0.00 O HETATM 1233 O4 NAG A 79 17.102 -16.448 -4.401 1.00 0.00 O HETATM 1234 O5 NAG A 79 14.348 -14.014 -4.573 1.00 0.00 O HETATM 1235 O6 NAG A 79 16.993 -13.342 -2.606 1.00 0.00 O HETATM 1236 O7 NAG A 79 12.235 -16.749 -7.738 1.00 0.00 O HETATM 0 HO6 NAG A 79 17.691 -12.654 -2.580 1.00 0.00 H new HETATM 0 HO4 NAG A 79 17.897 -16.033 -4.796 1.00 0.00 H new HETATM 0 HO3 NAG A 79 16.100 -18.057 -5.772 1.00 0.00 H new HETATM 0 HN2 NAG A 79 12.109 -17.477 -4.717 1.00 0.00 H new HETATM 0 H83 NAG A 79 11.006 -19.206 -6.329 1.00 0.00 H new HETATM 0 H82 NAG A 79 9.895 -17.845 -6.046 1.00 0.00 H new HETATM 0 H81 NAG A 79 10.286 -18.343 -7.709 1.00 0.00 H new HETATM 0 H62 NAG A 79 17.487 -13.899 -4.527 1.00 0.00 H new HETATM 0 H61 NAG A 79 16.255 -12.658 -4.404 1.00 0.00 H new HETATM 0 H5 NAG A 79 15.367 -15.051 -3.045 1.00 0.00 H new HETATM 0 H4 NAG A 79 16.150 -15.477 -5.930 1.00 0.00 H new HETATM 0 H3 NAG A 79 14.585 -17.189 -3.949 1.00 0.00 H new HETATM 0 H2 NAG A 79 13.775 -15.775 -6.531 1.00 0.00 H new