USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 SER OG : rot -68:sc= 1.06 USER MOD Set 1.2: A 48 ASN : amide:sc= 0.918 K(o=2,f=-0.64) USER MOD Set 2.1: A 20 ASN : amide:sc= 1.07 K(o=1.5,f=-0.66) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.381 K(o=1.5,f=0.0083) USER MOD Set 3.1: A 14 CYS SG : rot 152:sc= -1.95 USER MOD Set 3.2: A 17 CYS SG : rot -125:sc= -0.744 USER MOD Set 4.1: A 5 CYS SG : rot -85:sc= 0.985 USER MOD Set 4.2: A 47 TYR OH : rot -37:sc= 0.832 USER MOD Set 5.1: A 4 LYS NZ :NH3+ 154:sc= 2.5 (180deg=1.08) USER MOD Set 5.2: A 6 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.93 K(o=1.9,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 174:sc=-0.00557 (180deg=-0.0858) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 16 SER OG : rot -75:sc= 0.896 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 41:sc= 0.74 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.605 K(o=0.6,f=-0.073) USER MOD Single : A 56 MET CE :methyl 171:sc=-0.00178 (180deg=-0.15) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.316 14.381 -5.909 1.00 2.50 N ATOM 18 CA SER A 2 -0.387 12.932 -5.870 1.00 1.52 C ATOM 19 C SER A 2 -1.859 12.493 -5.756 1.00 1.56 C ATOM 20 O SER A 2 -2.663 13.202 -5.136 1.00 2.34 O ATOM 21 CB SER A 2 0.417 12.475 -4.649 1.00 2.22 C ATOM 22 OG SER A 2 1.646 13.176 -4.623 1.00 3.14 O ATOM 0 HA SER A 2 0.023 12.486 -6.776 1.00 1.52 H new ATOM 0 HB2 SER A 2 -0.145 12.665 -3.735 1.00 2.22 H new ATOM 0 HB3 SER A 2 0.596 11.401 -4.696 1.00 2.22 H new ATOM 0 HG SER A 2 2.201 12.892 -5.379 1.00 3.14 H new ATOM 28 N SER A 3 -2.212 11.373 -6.386 1.00 0.84 N ATOM 29 CA SER A 3 -3.567 10.848 -6.473 1.00 0.77 C ATOM 30 C SER A 3 -3.784 9.825 -5.359 1.00 0.56 C ATOM 31 O SER A 3 -2.911 8.988 -5.146 1.00 0.68 O ATOM 32 CB SER A 3 -3.755 10.177 -7.838 1.00 0.92 C ATOM 33 OG SER A 3 -3.099 10.918 -8.852 1.00 1.89 O ATOM 0 H SER A 3 -1.531 10.786 -6.868 1.00 0.84 H new ATOM 0 HA SER A 3 -4.289 11.657 -6.363 1.00 0.77 H new ATOM 0 HB2 SER A 3 -3.359 9.162 -7.808 1.00 0.92 H new ATOM 0 HB3 SER A 3 -4.818 10.098 -8.067 1.00 0.92 H new ATOM 0 HG SER A 3 -3.228 10.475 -9.716 1.00 1.89 H new ATOM 39 N LYS A 4 -4.921 9.889 -4.663 1.00 0.98 N ATOM 40 CA LYS A 4 -5.310 8.930 -3.634 1.00 1.01 C ATOM 41 C LYS A 4 -6.011 7.743 -4.292 1.00 1.01 C ATOM 42 O LYS A 4 -7.081 7.933 -4.865 1.00 1.48 O ATOM 43 CB LYS A 4 -6.225 9.621 -2.607 1.00 1.25 C ATOM 44 CG LYS A 4 -6.802 8.601 -1.619 1.00 1.30 C ATOM 45 CD LYS A 4 -7.613 9.259 -0.496 1.00 2.02 C ATOM 46 CE LYS A 4 -8.608 8.213 0.025 1.00 2.99 C ATOM 47 NZ LYS A 4 -9.151 8.531 1.358 1.00 4.09 N ATOM 0 H LYS A 4 -5.611 10.627 -4.805 1.00 0.98 H new ATOM 0 HA LYS A 4 -4.429 8.562 -3.109 1.00 1.01 H new ATOM 0 HB2 LYS A 4 -5.662 10.381 -2.065 1.00 1.25 H new ATOM 0 HB3 LYS A 4 -7.037 10.133 -3.123 1.00 1.25 H new ATOM 0 HG2 LYS A 4 -7.438 7.899 -2.158 1.00 1.30 H new ATOM 0 HG3 LYS A 4 -5.987 8.023 -1.183 1.00 1.30 H new ATOM 0 HD2 LYS A 4 -6.956 9.596 0.305 1.00 2.02 H new ATOM 0 HD3 LYS A 4 -8.140 10.138 -0.867 1.00 2.02 H new ATOM 0 HE2 LYS A 4 -9.432 8.123 -0.682 1.00 2.99 H new ATOM 0 HE3 LYS A 4 -8.115 7.242 0.065 1.00 2.99 H new ATOM 0 HZ1 LYS A 4 -10.084 8.085 1.468 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -8.506 8.171 2.090 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -9.247 9.562 1.457 1.00 4.09 H new ATOM 61 N CYS A 5 -5.449 6.536 -4.163 1.00 0.79 N ATOM 62 CA CYS A 5 -5.999 5.334 -4.776 1.00 0.88 C ATOM 63 C CYS A 5 -6.165 4.260 -3.698 1.00 0.81 C ATOM 64 O CYS A 5 -5.266 4.040 -2.884 1.00 0.85 O ATOM 65 CB CYS A 5 -5.073 4.913 -5.916 1.00 1.19 C ATOM 66 SG CYS A 5 -5.223 6.135 -7.252 1.00 3.99 S ATOM 0 H CYS A 5 -4.597 6.371 -3.627 1.00 0.79 H new ATOM 0 HA CYS A 5 -6.987 5.506 -5.204 1.00 0.88 H new ATOM 0 HB2 CYS A 5 -4.042 4.857 -5.567 1.00 1.19 H new ATOM 0 HB3 CYS A 5 -5.342 3.920 -6.277 1.00 1.19 H new ATOM 0 HG CYS A 5 -6.230 5.825 -8.013 1.00 3.99 H new ATOM 72 N TYR A 6 -7.346 3.636 -3.646 1.00 0.99 N ATOM 73 CA TYR A 6 -7.748 2.728 -2.592 1.00 1.04 C ATOM 74 C TYR A 6 -7.320 1.321 -2.977 1.00 1.02 C ATOM 75 O TYR A 6 -7.491 0.886 -4.117 1.00 1.10 O ATOM 76 CB TYR A 6 -9.266 2.788 -2.368 1.00 1.20 C ATOM 77 CG TYR A 6 -9.756 3.939 -1.510 1.00 1.10 C ATOM 78 CD1 TYR A 6 -9.347 4.029 -0.165 1.00 1.64 C ATOM 79 CD2 TYR A 6 -10.741 4.820 -1.996 1.00 2.45 C ATOM 80 CE1 TYR A 6 -9.876 5.028 0.671 1.00 1.81 C ATOM 81 CE2 TYR A 6 -11.299 5.793 -1.146 1.00 2.47 C ATOM 82 CZ TYR A 6 -10.875 5.887 0.190 1.00 1.38 C ATOM 83 OH TYR A 6 -11.301 6.921 0.975 1.00 1.77 O ATOM 0 H TYR A 6 -8.062 3.759 -4.362 1.00 0.99 H new ATOM 0 HA TYR A 6 -7.268 3.018 -1.658 1.00 1.04 H new ATOM 0 HB2 TYR A 6 -9.757 2.848 -3.339 1.00 1.20 H new ATOM 0 HB3 TYR A 6 -9.585 1.853 -1.907 1.00 1.20 H new ATOM 0 HD1 TYR A 6 -8.624 3.328 0.226 1.00 1.64 H new ATOM 0 HD2 TYR A 6 -11.069 4.749 -3.023 1.00 2.45 H new ATOM 0 HE1 TYR A 6 -9.513 5.134 1.683 1.00 1.81 H new ATOM 0 HE2 TYR A 6 -12.054 6.468 -1.521 1.00 2.47 H new ATOM 0 HH TYR A 6 -11.995 7.426 0.502 1.00 1.77 H new ATOM 93 N ILE A 7 -6.761 0.616 -2.002 1.00 1.00 N ATOM 94 CA ILE A 7 -6.274 -0.745 -2.141 1.00 0.98 C ATOM 95 C ILE A 7 -6.830 -1.530 -0.951 1.00 1.12 C ATOM 96 O ILE A 7 -7.223 -0.953 0.067 1.00 1.66 O ATOM 97 CB ILE A 7 -4.728 -0.757 -2.268 1.00 0.90 C ATOM 98 CG1 ILE A 7 -4.282 0.243 -3.356 1.00 1.42 C ATOM 99 CG2 ILE A 7 -4.165 -2.151 -2.601 1.00 0.78 C ATOM 100 CD1 ILE A 7 -2.809 0.127 -3.762 1.00 1.70 C ATOM 0 H ILE A 7 -6.631 0.991 -1.062 1.00 1.00 H new ATOM 0 HA ILE A 7 -6.618 -1.227 -3.056 1.00 0.98 H new ATOM 0 HB ILE A 7 -4.331 -0.467 -1.295 1.00 0.90 H new ATOM 0 HG12 ILE A 7 -4.902 0.098 -4.241 1.00 1.42 H new ATOM 0 HG13 ILE A 7 -4.468 1.256 -2.999 1.00 1.42 H new ATOM 0 HG21 ILE A 7 -3.079 -2.096 -2.677 1.00 0.78 H new ATOM 0 HG22 ILE A 7 -4.438 -2.852 -1.812 1.00 0.78 H new ATOM 0 HG23 ILE A 7 -4.578 -2.493 -3.550 1.00 0.78 H new ATOM 0 HD11 ILE A 7 -2.584 0.867 -4.530 1.00 1.70 H new ATOM 0 HD12 ILE A 7 -2.177 0.304 -2.892 1.00 1.70 H new ATOM 0 HD13 ILE A 7 -2.617 -0.872 -4.153 1.00 1.70 H new ATOM 112 N GLN A 8 -6.919 -2.847 -1.093 1.00 0.82 N ATOM 113 CA GLN A 8 -7.410 -3.767 -0.109 1.00 0.88 C ATOM 114 C GLN A 8 -6.337 -4.856 -0.024 1.00 0.85 C ATOM 115 O GLN A 8 -5.924 -5.388 -1.052 1.00 1.00 O ATOM 116 CB GLN A 8 -8.774 -4.219 -0.610 1.00 1.25 C ATOM 117 CG GLN A 8 -9.202 -5.513 0.051 1.00 1.27 C ATOM 118 CD GLN A 8 -9.469 -5.278 1.534 1.00 1.94 C ATOM 119 OE1 GLN A 8 -10.426 -4.590 1.876 1.00 2.54 O ATOM 120 NE2 GLN A 8 -8.620 -5.778 2.421 1.00 2.77 N ATOM 0 H GLN A 8 -6.630 -3.315 -1.952 1.00 0.82 H new ATOM 0 HA GLN A 8 -7.564 -3.382 0.899 1.00 0.88 H new ATOM 0 HB2 GLN A 8 -9.513 -3.444 -0.409 1.00 1.25 H new ATOM 0 HB3 GLN A 8 -8.740 -4.354 -1.691 1.00 1.25 H new ATOM 0 HG2 GLN A 8 -10.100 -5.898 -0.432 1.00 1.27 H new ATOM 0 HG3 GLN A 8 -8.425 -6.268 -0.072 1.00 1.27 H new ATOM 0 HE21 GLN A 8 -7.833 -6.347 2.109 1.00 2.77 H new ATOM 0 HE22 GLN A 8 -8.754 -5.594 3.415 1.00 2.77 H new ATOM 129 N VAL A 9 -5.859 -5.134 1.188 1.00 0.79 N ATOM 130 CA VAL A 9 -4.729 -6.019 1.465 1.00 0.82 C ATOM 131 C VAL A 9 -5.227 -7.334 2.068 1.00 1.01 C ATOM 132 O VAL A 9 -6.427 -7.486 2.298 1.00 1.71 O ATOM 133 CB VAL A 9 -3.712 -5.302 2.375 1.00 0.83 C ATOM 134 CG1 VAL A 9 -3.117 -4.082 1.660 1.00 1.93 C ATOM 135 CG2 VAL A 9 -4.315 -4.865 3.717 1.00 2.18 C ATOM 0 H VAL A 9 -6.263 -4.734 2.035 1.00 0.79 H new ATOM 0 HA VAL A 9 -4.216 -6.266 0.536 1.00 0.82 H new ATOM 0 HB VAL A 9 -2.927 -6.028 2.590 1.00 0.83 H new ATOM 0 HG11 VAL A 9 -2.401 -3.588 2.317 1.00 1.93 H new ATOM 0 HG12 VAL A 9 -2.611 -4.405 0.750 1.00 1.93 H new ATOM 0 HG13 VAL A 9 -3.915 -3.385 1.404 1.00 1.93 H new ATOM 0 HG21 VAL A 9 -3.551 -4.366 4.314 1.00 2.18 H new ATOM 0 HG22 VAL A 9 -5.142 -4.178 3.538 1.00 2.18 H new ATOM 0 HG23 VAL A 9 -4.681 -5.740 4.254 1.00 2.18 H new ATOM 145 N THR A 10 -4.329 -8.287 2.326 1.00 0.90 N ATOM 146 CA THR A 10 -4.639 -9.462 3.126 1.00 1.06 C ATOM 147 C THR A 10 -3.437 -9.800 4.004 1.00 1.09 C ATOM 148 O THR A 10 -2.295 -9.534 3.630 1.00 2.04 O ATOM 149 CB THR A 10 -5.110 -10.617 2.230 1.00 1.43 C ATOM 150 OG1 THR A 10 -5.655 -11.655 3.017 1.00 2.73 O ATOM 151 CG2 THR A 10 -3.984 -11.182 1.360 1.00 1.94 C ATOM 0 H THR A 10 -3.368 -8.261 1.984 1.00 0.90 H new ATOM 0 HA THR A 10 -5.474 -9.262 3.798 1.00 1.06 H new ATOM 0 HB THR A 10 -5.871 -10.208 1.566 1.00 1.43 H new ATOM 0 HG1 THR A 10 -5.953 -12.385 2.435 1.00 2.73 H new ATOM 0 HG21 THR A 10 -4.371 -11.996 0.747 1.00 1.94 H new ATOM 0 HG22 THR A 10 -3.593 -10.395 0.715 1.00 1.94 H new ATOM 0 HG23 THR A 10 -3.185 -11.558 1.999 1.00 1.94 H new ATOM 159 N GLY A 11 -3.745 -10.288 5.208 1.00 1.38 N ATOM 160 CA GLY A 11 -3.051 -9.904 6.420 1.00 1.23 C ATOM 161 C GLY A 11 -3.416 -8.448 6.651 1.00 1.40 C ATOM 162 O GLY A 11 -3.205 -7.576 5.808 1.00 2.86 O ATOM 0 H GLY A 11 -4.491 -10.966 5.361 1.00 1.38 H new ATOM 0 HA2 GLY A 11 -3.359 -10.524 7.262 1.00 1.23 H new ATOM 0 HA3 GLY A 11 -1.973 -10.026 6.311 1.00 1.23 H new ATOM 166 N MET A 12 -4.108 -8.248 7.759 1.00 1.68 N ATOM 167 CA MET A 12 -4.629 -6.958 8.151 1.00 1.77 C ATOM 168 C MET A 12 -3.575 -6.233 8.994 1.00 1.90 C ATOM 169 O MET A 12 -2.626 -5.659 8.470 1.00 2.62 O ATOM 170 CB MET A 12 -5.979 -7.109 8.872 1.00 2.41 C ATOM 171 CG MET A 12 -7.127 -7.319 7.879 1.00 2.54 C ATOM 172 SD MET A 12 -8.720 -7.780 8.614 1.00 3.37 S ATOM 173 CE MET A 12 -8.982 -6.432 9.790 1.00 4.05 C ATOM 0 H MET A 12 -4.325 -8.993 8.421 1.00 1.68 H new ATOM 0 HA MET A 12 -4.830 -6.348 7.270 1.00 1.77 H new ATOM 0 HB2 MET A 12 -5.933 -7.953 9.560 1.00 2.41 H new ATOM 0 HB3 MET A 12 -6.174 -6.220 9.472 1.00 2.41 H new ATOM 0 HG2 MET A 12 -7.262 -6.401 7.307 1.00 2.54 H new ATOM 0 HG3 MET A 12 -6.835 -8.095 7.171 1.00 2.54 H new ATOM 0 HE1 MET A 12 -9.972 -6.526 10.237 1.00 4.05 H new ATOM 0 HE2 MET A 12 -8.225 -6.479 10.572 1.00 4.05 H new ATOM 0 HE3 MET A 12 -8.908 -5.477 9.271 1.00 4.05 H new ATOM 183 N THR A 13 -3.758 -6.241 10.315 1.00 2.36 N ATOM 184 CA THR A 13 -2.840 -5.649 11.267 1.00 3.17 C ATOM 185 C THR A 13 -1.608 -6.539 11.417 1.00 2.93 C ATOM 186 O THR A 13 -0.489 -6.035 11.534 1.00 4.47 O ATOM 187 CB THR A 13 -3.589 -5.516 12.599 1.00 4.14 C ATOM 188 OG1 THR A 13 -4.294 -6.721 12.838 1.00 4.09 O ATOM 189 CG2 THR A 13 -4.600 -4.367 12.545 1.00 5.36 C ATOM 0 H THR A 13 -4.571 -6.672 10.755 1.00 2.36 H new ATOM 0 HA THR A 13 -2.499 -4.670 10.932 1.00 3.17 H new ATOM 0 HB THR A 13 -2.868 -5.314 13.391 1.00 4.14 H new ATOM 0 HG1 THR A 13 -4.778 -6.654 13.688 1.00 4.09 H new ATOM 0 HG21 THR A 13 -5.118 -4.293 13.501 1.00 5.36 H new ATOM 0 HG22 THR A 13 -4.078 -3.432 12.342 1.00 5.36 H new ATOM 0 HG23 THR A 13 -5.325 -4.557 11.753 1.00 5.36 H new ATOM 197 N CYS A 14 -1.847 -7.855 11.485 1.00 1.70 N ATOM 198 CA CYS A 14 -0.852 -8.918 11.595 1.00 1.28 C ATOM 199 C CYS A 14 0.078 -8.716 12.799 1.00 1.49 C ATOM 200 O CYS A 14 1.205 -9.202 12.816 1.00 2.68 O ATOM 201 CB CYS A 14 -0.044 -8.992 10.313 1.00 1.50 C ATOM 202 SG CYS A 14 -1.188 -9.166 8.925 1.00 2.44 S ATOM 0 H CYS A 14 -2.798 -8.223 11.463 1.00 1.70 H new ATOM 0 HA CYS A 14 -1.382 -9.858 11.752 1.00 1.28 H new ATOM 0 HB2 CYS A 14 0.562 -8.094 10.194 1.00 1.50 H new ATOM 0 HB3 CYS A 14 0.643 -9.838 10.346 1.00 1.50 H new ATOM 0 HG CYS A 14 -0.655 -8.653 7.856 1.00 2.44 H new ATOM 207 N ALA A 15 -0.375 -7.944 13.790 1.00 1.66 N ATOM 208 CA ALA A 15 0.443 -7.457 14.888 1.00 1.86 C ATOM 209 C ALA A 15 1.747 -6.777 14.428 1.00 1.83 C ATOM 210 O ALA A 15 2.742 -6.885 15.142 1.00 3.13 O ATOM 211 CB ALA A 15 0.694 -8.589 15.894 1.00 2.28 C ATOM 0 H ALA A 15 -1.346 -7.636 13.846 1.00 1.66 H new ATOM 0 HA ALA A 15 -0.117 -6.666 15.387 1.00 1.86 H new ATOM 0 HB1 ALA A 15 1.308 -8.217 16.714 1.00 2.28 H new ATOM 0 HB2 ALA A 15 -0.259 -8.945 16.286 1.00 2.28 H new ATOM 0 HB3 ALA A 15 1.211 -9.410 15.397 1.00 2.28 H new ATOM 217 N SER A 16 1.720 -6.037 13.302 1.00 1.24 N ATOM 218 CA SER A 16 2.678 -4.999 12.865 1.00 1.33 C ATOM 219 C SER A 16 2.921 -4.909 11.343 1.00 1.39 C ATOM 220 O SER A 16 3.866 -4.236 10.921 1.00 1.81 O ATOM 221 CB SER A 16 4.027 -5.029 13.605 1.00 1.87 C ATOM 222 OG SER A 16 4.679 -6.275 13.461 1.00 2.99 O ATOM 0 H SER A 16 0.970 -6.158 12.621 1.00 1.24 H new ATOM 0 HA SER A 16 2.149 -4.090 13.152 1.00 1.33 H new ATOM 0 HB2 SER A 16 4.669 -4.236 13.221 1.00 1.87 H new ATOM 0 HB3 SER A 16 3.865 -4.824 14.663 1.00 1.87 H new ATOM 0 HG SER A 16 4.244 -6.940 14.035 1.00 2.99 H new ATOM 228 N CYS A 17 2.062 -5.483 10.498 1.00 1.37 N ATOM 229 CA CYS A 17 2.214 -5.343 9.050 1.00 1.60 C ATOM 230 C CYS A 17 2.146 -3.875 8.663 1.00 1.28 C ATOM 231 O CYS A 17 2.861 -3.430 7.761 1.00 1.34 O ATOM 232 CB CYS A 17 1.159 -6.156 8.293 1.00 2.00 C ATOM 233 SG CYS A 17 1.844 -7.799 7.974 1.00 2.94 S ATOM 0 H CYS A 17 1.261 -6.044 10.789 1.00 1.37 H new ATOM 0 HA CYS A 17 3.190 -5.739 8.769 1.00 1.60 H new ATOM 0 HB2 CYS A 17 0.243 -6.232 8.879 1.00 2.00 H new ATOM 0 HB3 CYS A 17 0.898 -5.663 7.356 1.00 2.00 H new ATOM 0 HG CYS A 17 1.786 -8.054 6.701 1.00 2.94 H new ATOM 238 N VAL A 18 1.299 -3.121 9.367 1.00 1.04 N ATOM 239 CA VAL A 18 1.127 -1.711 9.092 1.00 0.92 C ATOM 240 C VAL A 18 2.394 -0.940 9.401 1.00 0.69 C ATOM 241 O VAL A 18 2.935 -0.287 8.520 1.00 0.69 O ATOM 242 CB VAL A 18 -0.117 -1.162 9.780 1.00 1.05 C ATOM 243 CG1 VAL A 18 -1.297 -2.024 9.367 1.00 2.31 C ATOM 244 CG2 VAL A 18 -0.135 -1.056 11.302 1.00 2.03 C ATOM 0 H VAL A 18 0.724 -3.474 10.132 1.00 1.04 H new ATOM 0 HA VAL A 18 0.952 -1.578 8.024 1.00 0.92 H new ATOM 0 HB VAL A 18 -0.150 -0.124 9.449 1.00 1.05 H new ATOM 0 HG11 VAL A 18 -2.203 -1.653 9.846 1.00 2.31 H new ATOM 0 HG12 VAL A 18 -1.416 -1.984 8.284 1.00 2.31 H new ATOM 0 HG13 VAL A 18 -1.120 -3.055 9.674 1.00 2.31 H new ATOM 0 HG21 VAL A 18 -1.092 -0.647 11.627 1.00 2.03 H new ATOM 0 HG22 VAL A 18 0.003 -2.046 11.737 1.00 2.03 H new ATOM 0 HG23 VAL A 18 0.671 -0.399 11.631 1.00 2.03 H new ATOM 254 N ALA A 19 2.920 -1.102 10.612 1.00 0.68 N ATOM 255 CA ALA A 19 4.221 -0.572 10.992 1.00 0.70 C ATOM 256 C ALA A 19 5.273 -0.911 9.930 1.00 0.79 C ATOM 257 O ALA A 19 6.039 -0.042 9.510 1.00 0.82 O ATOM 258 CB ALA A 19 4.610 -1.135 12.359 1.00 0.88 C ATOM 0 H ALA A 19 2.449 -1.609 11.361 1.00 0.68 H new ATOM 0 HA ALA A 19 4.168 0.515 11.060 1.00 0.70 H new ATOM 0 HB1 ALA A 19 5.584 -0.742 12.650 1.00 0.88 H new ATOM 0 HB2 ALA A 19 3.865 -0.842 13.099 1.00 0.88 H new ATOM 0 HB3 ALA A 19 4.659 -2.223 12.304 1.00 0.88 H new ATOM 264 N ASN A 20 5.296 -2.166 9.469 1.00 0.94 N ATOM 265 CA ASN A 20 6.163 -2.584 8.368 1.00 1.11 C ATOM 266 C ASN A 20 5.914 -1.707 7.139 1.00 1.00 C ATOM 267 O ASN A 20 6.840 -1.140 6.570 1.00 1.05 O ATOM 268 CB ASN A 20 5.986 -4.088 8.082 1.00 1.33 C ATOM 269 CG ASN A 20 5.988 -4.453 6.594 1.00 1.56 C ATOM 270 OD1 ASN A 20 7.020 -4.791 6.025 1.00 1.77 O ATOM 271 ND2 ASN A 20 4.839 -4.385 5.931 1.00 1.65 N ATOM 0 H ASN A 20 4.717 -2.915 9.848 1.00 0.94 H new ATOM 0 HA ASN A 20 7.206 -2.444 8.651 1.00 1.11 H new ATOM 0 HB2 ASN A 20 6.786 -4.637 8.579 1.00 1.33 H new ATOM 0 HB3 ASN A 20 5.047 -4.422 8.524 1.00 1.33 H new ATOM 0 HD21 ASN A 20 4.809 -4.615 4.938 1.00 1.65 H new ATOM 0 HD22 ASN A 20 3.987 -4.103 6.415 1.00 1.65 H new ATOM 278 N ILE A 21 4.658 -1.579 6.729 1.00 0.95 N ATOM 279 CA ILE A 21 4.271 -0.866 5.526 1.00 0.99 C ATOM 280 C ILE A 21 4.666 0.613 5.622 1.00 0.82 C ATOM 281 O ILE A 21 5.291 1.143 4.708 1.00 0.89 O ATOM 282 CB ILE A 21 2.779 -1.150 5.249 1.00 1.15 C ATOM 283 CG1 ILE A 21 2.656 -2.227 4.159 1.00 1.68 C ATOM 284 CG2 ILE A 21 1.967 0.100 4.909 1.00 1.45 C ATOM 285 CD1 ILE A 21 1.349 -3.014 4.241 1.00 1.73 C ATOM 0 H ILE A 21 3.867 -1.977 7.236 1.00 0.95 H new ATOM 0 HA ILE A 21 4.815 -1.221 4.650 1.00 0.99 H new ATOM 0 HB ILE A 21 2.341 -1.521 6.176 1.00 1.15 H new ATOM 0 HG12 ILE A 21 2.728 -1.754 3.179 1.00 1.68 H new ATOM 0 HG13 ILE A 21 3.495 -2.918 4.242 1.00 1.68 H new ATOM 0 HG21 ILE A 21 0.929 -0.179 4.727 1.00 1.45 H new ATOM 0 HG22 ILE A 21 2.014 0.802 5.742 1.00 1.45 H new ATOM 0 HG23 ILE A 21 2.379 0.569 4.015 1.00 1.45 H new ATOM 0 HD11 ILE A 21 1.322 -3.759 3.445 1.00 1.73 H new ATOM 0 HD12 ILE A 21 1.285 -3.513 5.208 1.00 1.73 H new ATOM 0 HD13 ILE A 21 0.506 -2.332 4.128 1.00 1.73 H new ATOM 297 N GLU A 22 4.349 1.267 6.734 1.00 0.71 N ATOM 298 CA GLU A 22 4.763 2.621 7.053 1.00 0.79 C ATOM 299 C GLU A 22 6.281 2.731 6.902 1.00 0.95 C ATOM 300 O GLU A 22 6.777 3.580 6.160 1.00 1.13 O ATOM 301 CB GLU A 22 4.301 2.942 8.480 1.00 0.83 C ATOM 302 CG GLU A 22 2.767 2.932 8.611 1.00 1.13 C ATOM 303 CD GLU A 22 2.333 2.664 10.049 1.00 2.25 C ATOM 304 OE1 GLU A 22 3.050 3.139 10.956 1.00 2.98 O ATOM 305 OE2 GLU A 22 1.306 1.970 10.214 1.00 3.13 O ATOM 0 H GLU A 22 3.773 0.848 7.465 1.00 0.71 H new ATOM 0 HA GLU A 22 4.312 3.345 6.374 1.00 0.79 H new ATOM 0 HB2 GLU A 22 4.728 2.214 9.170 1.00 0.83 H new ATOM 0 HB3 GLU A 22 4.682 3.920 8.772 1.00 0.83 H new ATOM 0 HG2 GLU A 22 2.366 3.890 8.281 1.00 1.13 H new ATOM 0 HG3 GLU A 22 2.349 2.168 7.955 1.00 1.13 H new ATOM 312 N ARG A 23 7.021 1.845 7.577 1.00 1.03 N ATOM 313 CA ARG A 23 8.472 1.794 7.474 1.00 1.36 C ATOM 314 C ARG A 23 8.928 1.640 6.021 1.00 1.44 C ATOM 315 O ARG A 23 9.925 2.258 5.652 1.00 1.76 O ATOM 316 CB ARG A 23 9.042 0.665 8.346 1.00 1.49 C ATOM 317 CG ARG A 23 8.932 0.946 9.849 1.00 2.10 C ATOM 318 CD ARG A 23 10.093 1.805 10.365 1.00 2.75 C ATOM 319 NE ARG A 23 9.980 2.004 11.819 1.00 3.59 N ATOM 320 CZ ARG A 23 10.921 2.562 12.596 1.00 4.27 C ATOM 321 NH1 ARG A 23 12.051 3.022 12.046 1.00 4.67 N ATOM 322 NH2 ARG A 23 10.731 2.654 13.918 1.00 5.23 N ATOM 0 H ARG A 23 6.626 1.147 8.207 1.00 1.03 H new ATOM 0 HA ARG A 23 8.861 2.743 7.843 1.00 1.36 H new ATOM 0 HB2 ARG A 23 8.516 -0.262 8.117 1.00 1.49 H new ATOM 0 HB3 ARG A 23 10.090 0.510 8.088 1.00 1.49 H new ATOM 0 HG2 ARG A 23 7.989 1.452 10.054 1.00 2.10 H new ATOM 0 HG3 ARG A 23 8.912 0.002 10.393 1.00 2.10 H new ATOM 0 HD2 ARG A 23 11.042 1.323 10.131 1.00 2.75 H new ATOM 0 HD3 ARG A 23 10.092 2.770 9.859 1.00 2.75 H new ATOM 0 HE ARG A 23 9.120 1.694 12.271 1.00 3.59 H new ATOM 0 HH11 ARG A 23 12.195 2.948 11.039 1.00 4.67 H new ATOM 0 HH12 ARG A 23 12.768 3.447 12.634 1.00 4.67 H new ATOM 0 HH21 ARG A 23 9.870 2.300 14.335 1.00 5.23 H new ATOM 0 HH22 ARG A 23 11.447 3.078 14.508 1.00 5.23 H new ATOM 336 N ASN A 24 8.261 0.800 5.221 1.00 1.31 N ATOM 337 CA ASN A 24 8.648 0.534 3.838 1.00 1.54 C ATOM 338 C ASN A 24 8.305 1.698 2.901 1.00 1.49 C ATOM 339 O ASN A 24 9.196 2.337 2.354 1.00 1.90 O ATOM 340 CB ASN A 24 7.928 -0.714 3.289 1.00 1.67 C ATOM 341 CG ASN A 24 8.078 -2.013 4.066 1.00 2.70 C ATOM 342 OD1 ASN A 24 9.072 -2.245 4.746 1.00 3.91 O ATOM 343 ND2 ASN A 24 7.057 -2.862 3.941 1.00 2.94 N ATOM 0 H ASN A 24 7.433 0.285 5.520 1.00 1.31 H new ATOM 0 HA ASN A 24 9.728 0.385 3.861 1.00 1.54 H new ATOM 0 HB2 ASN A 24 6.865 -0.485 3.220 1.00 1.67 H new ATOM 0 HB3 ASN A 24 8.284 -0.887 2.273 1.00 1.67 H new ATOM 0 HD21 ASN A 24 7.078 -3.759 4.426 1.00 2.94 H new ATOM 0 HD22 ASN A 24 6.256 -2.614 3.361 1.00 2.94 H new ATOM 350 N LEU A 25 7.005 1.932 2.690 1.00 1.09 N ATOM 351 CA LEU A 25 6.432 2.747 1.632 1.00 0.97 C ATOM 352 C LEU A 25 6.572 4.247 1.874 1.00 0.97 C ATOM 353 O LEU A 25 6.321 5.033 0.968 1.00 1.36 O ATOM 354 CB LEU A 25 4.959 2.389 1.413 1.00 0.98 C ATOM 355 CG LEU A 25 4.612 1.008 0.821 1.00 1.47 C ATOM 356 CD1 LEU A 25 5.764 0.153 0.288 1.00 2.35 C ATOM 357 CD2 LEU A 25 3.908 0.111 1.830 1.00 2.56 C ATOM 0 H LEU A 25 6.288 1.530 3.294 1.00 1.09 H new ATOM 0 HA LEU A 25 7.006 2.519 0.734 1.00 0.97 H new ATOM 0 HB2 LEU A 25 4.452 2.473 2.374 1.00 0.98 H new ATOM 0 HB3 LEU A 25 4.529 3.147 0.758 1.00 0.98 H new ATOM 0 HG LEU A 25 3.990 1.312 -0.021 1.00 1.47 H new ATOM 0 HD11 LEU A 25 5.371 -0.788 -0.096 1.00 2.35 H new ATOM 0 HD12 LEU A 25 6.273 0.688 -0.514 1.00 2.35 H new ATOM 0 HD13 LEU A 25 6.469 -0.050 1.094 1.00 2.35 H new ATOM 0 HD21 LEU A 25 3.684 -0.850 1.368 1.00 2.56 H new ATOM 0 HD22 LEU A 25 4.555 -0.044 2.693 1.00 2.56 H new ATOM 0 HD23 LEU A 25 2.980 0.584 2.152 1.00 2.56 H new ATOM 369 N ARG A 26 6.901 4.635 3.105 1.00 1.03 N ATOM 370 CA ARG A 26 6.872 5.972 3.667 1.00 1.63 C ATOM 371 C ARG A 26 6.903 7.084 2.606 1.00 2.65 C ATOM 372 O ARG A 26 5.893 7.750 2.389 1.00 3.83 O ATOM 373 CB ARG A 26 8.151 6.080 4.554 1.00 1.42 C ATOM 374 CG ARG A 26 9.233 5.085 4.066 1.00 3.00 C ATOM 375 CD ARG A 26 10.711 5.273 4.411 1.00 4.41 C ATOM 376 NE ARG A 26 11.495 4.597 3.354 1.00 5.80 N ATOM 377 CZ ARG A 26 12.100 3.398 3.372 1.00 7.36 C ATOM 378 NH1 ARG A 26 12.221 2.710 4.507 1.00 7.76 N ATOM 379 NH2 ARG A 26 12.578 2.874 2.240 1.00 8.88 N ATOM 0 H ARG A 26 7.223 3.954 3.792 1.00 1.03 H new ATOM 0 HA ARG A 26 5.942 6.112 4.218 1.00 1.63 H new ATOM 0 HB2 ARG A 26 8.541 7.097 4.518 1.00 1.42 H new ATOM 0 HB3 ARG A 26 7.899 5.872 5.594 1.00 1.42 H new ATOM 0 HG2 ARG A 26 8.945 4.100 4.434 1.00 3.00 H new ATOM 0 HG3 ARG A 26 9.164 5.052 2.979 1.00 3.00 H new ATOM 0 HD2 ARG A 26 10.963 6.332 4.459 1.00 4.41 H new ATOM 0 HD3 ARG A 26 10.935 4.847 5.389 1.00 4.41 H new ATOM 0 HE ARG A 26 11.590 5.119 2.483 1.00 5.80 H new ATOM 0 HH11 ARG A 26 11.852 3.093 5.377 1.00 7.76 H new ATOM 0 HH12 ARG A 26 12.683 1.801 4.505 1.00 7.76 H new ATOM 0 HH21 ARG A 26 12.484 3.384 1.362 1.00 8.88 H new ATOM 0 HH22 ARG A 26 13.037 1.963 2.254 1.00 8.88 H new ATOM 393 N ARG A 27 8.069 7.311 1.999 1.00 3.09 N ATOM 394 CA ARG A 27 8.314 8.164 0.846 1.00 4.14 C ATOM 395 C ARG A 27 8.341 7.504 -0.527 1.00 3.08 C ATOM 396 O ARG A 27 7.650 7.866 -1.481 1.00 4.22 O ATOM 397 CB ARG A 27 9.488 9.107 1.122 1.00 5.75 C ATOM 398 CG ARG A 27 10.622 8.341 1.805 1.00 5.87 C ATOM 399 CD ARG A 27 11.842 9.232 2.055 1.00 7.32 C ATOM 400 NE ARG A 27 11.524 10.328 2.983 1.00 9.16 N ATOM 401 CZ ARG A 27 12.357 11.334 3.298 1.00 10.68 C ATOM 402 NH1 ARG A 27 13.585 11.369 2.771 1.00 10.70 N ATOM 403 NH2 ARG A 27 11.958 12.295 4.138 1.00 12.43 N ATOM 0 H ARG A 27 8.927 6.868 2.329 1.00 3.09 H new ATOM 0 HA ARG A 27 7.406 8.758 0.741 1.00 4.14 H new ATOM 0 HB2 ARG A 27 9.843 9.543 0.188 1.00 5.75 H new ATOM 0 HB3 ARG A 27 9.162 9.932 1.755 1.00 5.75 H new ATOM 0 HG2 ARG A 27 10.268 7.936 2.753 1.00 5.87 H new ATOM 0 HG3 ARG A 27 10.913 7.493 1.185 1.00 5.87 H new ATOM 0 HD2 ARG A 27 12.655 8.632 2.463 1.00 7.32 H new ATOM 0 HD3 ARG A 27 12.193 9.644 1.109 1.00 7.32 H new ATOM 0 HE ARG A 27 10.602 10.324 3.420 1.00 9.16 H new ATOM 0 HH11 ARG A 27 13.887 10.634 2.132 1.00 10.70 H new ATOM 0 HH12 ARG A 27 14.220 12.131 3.008 1.00 10.70 H new ATOM 0 HH21 ARG A 27 11.021 12.264 4.540 1.00 12.43 H new ATOM 0 HH22 ARG A 27 12.591 13.059 4.377 1.00 12.43 H new ATOM 417 N GLU A 28 9.320 6.616 -0.606 1.00 1.77 N ATOM 418 CA GLU A 28 10.032 6.127 -1.765 1.00 2.00 C ATOM 419 C GLU A 28 10.124 7.179 -2.863 1.00 2.02 C ATOM 420 O GLU A 28 10.167 8.378 -2.582 1.00 3.44 O ATOM 421 CB GLU A 28 9.464 4.749 -2.129 1.00 3.29 C ATOM 422 CG GLU A 28 9.196 3.974 -0.822 1.00 3.89 C ATOM 423 CD GLU A 28 10.417 3.950 0.097 1.00 5.09 C ATOM 424 OE1 GLU A 28 11.282 3.062 -0.054 1.00 6.08 O ATOM 425 OE2 GLU A 28 10.529 4.872 0.938 1.00 5.63 O ATOM 0 H GLU A 28 9.671 6.173 0.243 1.00 1.77 H new ATOM 0 HA GLU A 28 11.089 5.955 -1.559 1.00 2.00 H new ATOM 0 HB2 GLU A 28 8.543 4.857 -2.702 1.00 3.29 H new ATOM 0 HB3 GLU A 28 10.167 4.202 -2.757 1.00 3.29 H new ATOM 0 HG2 GLU A 28 8.357 4.431 -0.297 1.00 3.89 H new ATOM 0 HG3 GLU A 28 8.904 2.952 -1.061 1.00 3.89 H new ATOM 432 N GLU A 29 10.190 6.731 -4.110 1.00 1.66 N ATOM 433 CA GLU A 29 10.021 7.620 -5.237 1.00 2.29 C ATOM 434 C GLU A 29 8.553 7.514 -5.642 1.00 1.63 C ATOM 435 O GLU A 29 8.168 6.626 -6.400 1.00 2.02 O ATOM 436 CB GLU A 29 11.029 7.282 -6.338 1.00 3.72 C ATOM 437 CG GLU A 29 11.257 8.491 -7.256 1.00 5.05 C ATOM 438 CD GLU A 29 12.309 8.200 -8.316 1.00 6.09 C ATOM 439 OE1 GLU A 29 13.465 7.959 -7.908 1.00 6.16 O ATOM 440 OE2 GLU A 29 11.936 8.226 -9.508 1.00 7.40 O ATOM 0 H GLU A 29 10.360 5.757 -4.360 1.00 1.66 H new ATOM 0 HA GLU A 29 10.235 8.662 -5.001 1.00 2.29 H new ATOM 0 HB2 GLU A 29 11.975 6.976 -5.890 1.00 3.72 H new ATOM 0 HB3 GLU A 29 10.665 6.438 -6.924 1.00 3.72 H new ATOM 0 HG2 GLU A 29 10.319 8.764 -7.739 1.00 5.05 H new ATOM 0 HG3 GLU A 29 11.569 9.348 -6.659 1.00 5.05 H new ATOM 447 N GLY A 30 7.728 8.405 -5.088 1.00 1.09 N ATOM 448 CA GLY A 30 6.389 8.666 -5.591 1.00 0.81 C ATOM 449 C GLY A 30 5.244 8.294 -4.649 1.00 0.65 C ATOM 450 O GLY A 30 4.109 8.275 -5.125 1.00 0.78 O ATOM 0 H GLY A 30 7.977 8.966 -4.273 1.00 1.09 H new ATOM 0 HA2 GLY A 30 6.310 9.727 -5.828 1.00 0.81 H new ATOM 0 HA3 GLY A 30 6.259 8.120 -6.525 1.00 0.81 H new ATOM 454 N ILE A 31 5.484 8.029 -3.356 1.00 0.66 N ATOM 455 CA ILE A 31 4.422 7.820 -2.364 1.00 0.59 C ATOM 456 C ILE A 31 4.307 9.078 -1.503 1.00 0.76 C ATOM 457 O ILE A 31 5.301 9.550 -0.958 1.00 1.14 O ATOM 458 CB ILE A 31 4.705 6.579 -1.483 1.00 0.70 C ATOM 459 CG1 ILE A 31 5.201 5.445 -2.385 1.00 1.11 C ATOM 460 CG2 ILE A 31 3.517 6.156 -0.614 1.00 1.24 C ATOM 461 CD1 ILE A 31 5.015 4.001 -1.935 1.00 2.02 C ATOM 0 H ILE A 31 6.425 7.954 -2.969 1.00 0.66 H new ATOM 0 HA ILE A 31 3.481 7.635 -2.881 1.00 0.59 H new ATOM 0 HB ILE A 31 5.479 6.841 -0.762 1.00 0.70 H new ATOM 0 HG12 ILE A 31 4.707 5.554 -3.350 1.00 1.11 H new ATOM 0 HG13 ILE A 31 6.267 5.602 -2.553 1.00 1.11 H new ATOM 0 HG21 ILE A 31 3.790 5.280 -0.025 1.00 1.24 H new ATOM 0 HG22 ILE A 31 3.246 6.973 0.055 1.00 1.24 H new ATOM 0 HG23 ILE A 31 2.668 5.913 -1.252 1.00 1.24 H new ATOM 0 HD11 ILE A 31 5.422 3.329 -2.691 1.00 2.02 H new ATOM 0 HD12 ILE A 31 5.537 3.844 -0.991 1.00 2.02 H new ATOM 0 HD13 ILE A 31 3.953 3.796 -1.801 1.00 2.02 H new ATOM 473 N TYR A 32 3.092 9.609 -1.344 1.00 0.60 N ATOM 474 CA TYR A 32 2.796 10.495 -0.229 1.00 0.90 C ATOM 475 C TYR A 32 1.436 10.162 0.398 1.00 0.92 C ATOM 476 O TYR A 32 0.670 11.041 0.791 1.00 1.11 O ATOM 477 CB TYR A 32 2.703 11.917 -0.764 1.00 1.14 C ATOM 478 CG TYR A 32 3.937 12.523 -1.406 1.00 1.32 C ATOM 479 CD1 TYR A 32 4.212 12.274 -2.764 1.00 1.82 C ATOM 480 CD2 TYR A 32 4.654 13.524 -0.723 1.00 2.39 C ATOM 481 CE1 TYR A 32 5.186 13.032 -3.438 1.00 2.27 C ATOM 482 CE2 TYR A 32 5.613 14.295 -1.402 1.00 2.84 C ATOM 483 CZ TYR A 32 5.872 14.054 -2.763 1.00 2.45 C ATOM 484 OH TYR A 32 6.748 14.845 -3.444 1.00 3.16 O ATOM 0 H TYR A 32 2.306 9.439 -1.972 1.00 0.60 H new ATOM 0 HA TYR A 32 3.581 10.381 0.519 1.00 0.90 H new ATOM 0 HB2 TYR A 32 1.898 11.945 -1.498 1.00 1.14 H new ATOM 0 HB3 TYR A 32 2.405 12.564 0.061 1.00 1.14 H new ATOM 0 HD1 TYR A 32 3.674 11.499 -3.289 1.00 1.82 H new ATOM 0 HD2 TYR A 32 4.466 13.700 0.326 1.00 2.39 H new ATOM 0 HE1 TYR A 32 5.406 12.828 -4.475 1.00 2.27 H new ATOM 0 HE2 TYR A 32 6.151 15.072 -0.879 1.00 2.84 H new ATOM 0 HH TYR A 32 7.138 15.504 -2.832 1.00 3.16 H new ATOM 494 N SER A 33 1.179 8.876 0.573 1.00 0.90 N ATOM 495 CA SER A 33 0.600 8.195 1.734 1.00 1.19 C ATOM 496 C SER A 33 0.750 6.706 1.475 1.00 1.31 C ATOM 497 O SER A 33 0.557 6.274 0.336 1.00 1.42 O ATOM 498 CB SER A 33 -0.875 8.493 2.047 1.00 1.29 C ATOM 499 OG SER A 33 -1.070 9.828 2.462 1.00 1.51 O ATOM 0 H SER A 33 1.391 8.209 -0.169 1.00 0.90 H new ATOM 0 HA SER A 33 1.136 8.565 2.608 1.00 1.19 H new ATOM 0 HB2 SER A 33 -1.480 8.297 1.162 1.00 1.29 H new ATOM 0 HB3 SER A 33 -1.223 7.817 2.827 1.00 1.29 H new ATOM 0 HG SER A 33 -0.515 10.424 1.917 1.00 1.51 H new ATOM 505 N ILE A 34 1.018 5.922 2.513 1.00 1.47 N ATOM 506 CA ILE A 34 1.072 4.483 2.369 1.00 1.55 C ATOM 507 C ILE A 34 -0.331 3.874 2.464 1.00 2.04 C ATOM 508 O ILE A 34 -1.243 4.430 3.073 1.00 2.43 O ATOM 509 CB ILE A 34 2.058 3.862 3.378 1.00 1.65 C ATOM 510 CG1 ILE A 34 1.489 3.590 4.780 1.00 2.02 C ATOM 511 CG2 ILE A 34 3.366 4.668 3.449 1.00 1.52 C ATOM 512 CD1 ILE A 34 1.054 4.841 5.537 1.00 1.80 C ATOM 0 H ILE A 34 1.200 6.262 3.457 1.00 1.47 H new ATOM 0 HA ILE A 34 1.453 4.247 1.376 1.00 1.55 H new ATOM 0 HB ILE A 34 2.269 2.871 2.977 1.00 1.65 H new ATOM 0 HG12 ILE A 34 0.634 2.920 4.688 1.00 2.02 H new ATOM 0 HG13 ILE A 34 2.242 3.067 5.369 1.00 2.02 H new ATOM 0 HG21 ILE A 34 4.040 4.205 4.169 1.00 1.52 H new ATOM 0 HG22 ILE A 34 3.838 4.682 2.467 1.00 1.52 H new ATOM 0 HG23 ILE A 34 3.148 5.689 3.761 1.00 1.52 H new ATOM 0 HD11 ILE A 34 0.666 4.558 6.515 1.00 1.80 H new ATOM 0 HD12 ILE A 34 1.909 5.505 5.665 1.00 1.80 H new ATOM 0 HD13 ILE A 34 0.276 5.356 4.973 1.00 1.80 H new ATOM 524 N LEU A 35 -0.433 2.649 1.957 1.00 2.18 N ATOM 525 CA LEU A 35 -1.590 1.790 1.859 1.00 2.79 C ATOM 526 C LEU A 35 -1.940 1.266 3.245 1.00 1.92 C ATOM 527 O LEU A 35 -1.814 0.077 3.528 1.00 1.93 O ATOM 528 CB LEU A 35 -1.220 0.602 0.939 1.00 3.89 C ATOM 529 CG LEU A 35 0.153 -0.012 1.268 1.00 4.46 C ATOM 530 CD1 LEU A 35 0.124 -1.544 1.337 1.00 4.98 C ATOM 531 CD2 LEU A 35 1.145 0.396 0.171 1.00 5.27 C ATOM 0 H LEU A 35 0.389 2.192 1.564 1.00 2.18 H new ATOM 0 HA LEU A 35 -2.443 2.335 1.455 1.00 2.79 H new ATOM 0 HB2 LEU A 35 -1.986 -0.169 1.025 1.00 3.89 H new ATOM 0 HB3 LEU A 35 -1.222 0.939 -0.098 1.00 3.89 H new ATOM 0 HG LEU A 35 0.446 0.359 2.250 1.00 4.46 H new ATOM 0 HD11 LEU A 35 1.121 -1.917 1.572 1.00 4.98 H new ATOM 0 HD12 LEU A 35 -0.574 -1.860 2.112 1.00 4.98 H new ATOM 0 HD13 LEU A 35 -0.196 -1.946 0.375 1.00 4.98 H new ATOM 0 HD21 LEU A 35 2.124 -0.031 0.389 1.00 5.27 H new ATOM 0 HD22 LEU A 35 0.794 0.027 -0.793 1.00 5.27 H new ATOM 0 HD23 LEU A 35 1.223 1.483 0.137 1.00 5.27 H new ATOM 543 N VAL A 36 -2.427 2.168 4.099 1.00 1.51 N ATOM 544 CA VAL A 36 -2.994 1.800 5.378 1.00 0.81 C ATOM 545 C VAL A 36 -4.357 2.437 5.634 1.00 1.04 C ATOM 546 O VAL A 36 -4.536 3.647 5.531 1.00 1.85 O ATOM 547 CB VAL A 36 -2.013 2.085 6.519 1.00 0.90 C ATOM 548 CG1 VAL A 36 -2.752 2.084 7.859 1.00 1.34 C ATOM 549 CG2 VAL A 36 -0.979 0.961 6.501 1.00 0.87 C ATOM 0 H VAL A 36 -2.435 3.171 3.915 1.00 1.51 H new ATOM 0 HA VAL A 36 -3.169 0.725 5.342 1.00 0.81 H new ATOM 0 HB VAL A 36 -1.541 3.060 6.393 1.00 0.90 H new ATOM 0 HG11 VAL A 36 -2.046 2.288 8.664 1.00 1.34 H new ATOM 0 HG12 VAL A 36 -3.523 2.854 7.850 1.00 1.34 H new ATOM 0 HG13 VAL A 36 -3.214 1.110 8.019 1.00 1.34 H new ATOM 0 HG21 VAL A 36 -0.255 1.120 7.300 1.00 0.87 H new ATOM 0 HG22 VAL A 36 -1.479 0.004 6.650 1.00 0.87 H new ATOM 0 HG23 VAL A 36 -0.464 0.955 5.540 1.00 0.87 H new ATOM 559 N ALA A 37 -5.284 1.572 6.041 1.00 0.72 N ATOM 560 CA ALA A 37 -6.487 1.855 6.801 1.00 0.69 C ATOM 561 C ALA A 37 -6.913 0.545 7.482 1.00 0.64 C ATOM 562 O ALA A 37 -8.027 0.053 7.295 1.00 0.59 O ATOM 563 CB ALA A 37 -7.567 2.412 5.869 1.00 0.67 C ATOM 0 H ALA A 37 -5.201 0.578 5.828 1.00 0.72 H new ATOM 0 HA ALA A 37 -6.317 2.613 7.565 1.00 0.69 H new ATOM 0 HB1 ALA A 37 -8.469 2.623 6.443 1.00 0.67 H new ATOM 0 HB2 ALA A 37 -7.209 3.331 5.405 1.00 0.67 H new ATOM 0 HB3 ALA A 37 -7.793 1.679 5.095 1.00 0.67 H new ATOM 569 N LEU A 38 -6.021 -0.051 8.279 1.00 0.79 N ATOM 570 CA LEU A 38 -6.238 -1.384 8.841 1.00 0.90 C ATOM 571 C LEU A 38 -7.262 -1.382 9.975 1.00 0.94 C ATOM 572 O LEU A 38 -7.753 -2.443 10.352 1.00 1.24 O ATOM 573 CB LEU A 38 -4.917 -2.050 9.248 1.00 1.47 C ATOM 574 CG LEU A 38 -4.148 -2.687 8.076 1.00 3.17 C ATOM 575 CD1 LEU A 38 -4.953 -3.696 7.260 1.00 5.28 C ATOM 576 CD2 LEU A 38 -3.574 -1.649 7.122 1.00 4.11 C ATOM 0 H LEU A 38 -5.135 0.375 8.550 1.00 0.79 H new ATOM 0 HA LEU A 38 -6.670 -1.993 8.047 1.00 0.90 H new ATOM 0 HB2 LEU A 38 -4.279 -1.306 9.726 1.00 1.47 H new ATOM 0 HB3 LEU A 38 -5.124 -2.818 9.993 1.00 1.47 H new ATOM 0 HG LEU A 38 -3.342 -3.227 8.572 1.00 3.17 H new ATOM 0 HD11 LEU A 38 -4.332 -4.093 6.457 1.00 5.28 H new ATOM 0 HD12 LEU A 38 -5.275 -4.512 7.906 1.00 5.28 H new ATOM 0 HD13 LEU A 38 -5.827 -3.204 6.833 1.00 5.28 H new ATOM 0 HD21 LEU A 38 -3.042 -2.152 6.314 1.00 4.11 H new ATOM 0 HD22 LEU A 38 -4.384 -1.050 6.705 1.00 4.11 H new ATOM 0 HD23 LEU A 38 -2.884 -1.000 7.662 1.00 4.11 H new ATOM 588 N MET A 39 -7.648 -0.198 10.461 1.00 0.99 N ATOM 589 CA MET A 39 -8.847 -0.036 11.269 1.00 1.12 C ATOM 590 C MET A 39 -10.058 -0.621 10.528 1.00 1.08 C ATOM 591 O MET A 39 -10.907 -1.261 11.142 1.00 1.37 O ATOM 592 CB MET A 39 -9.033 1.453 11.588 1.00 1.29 C ATOM 593 CG MET A 39 -10.177 1.692 12.579 1.00 1.93 C ATOM 594 SD MET A 39 -10.386 3.425 13.064 1.00 2.24 S ATOM 595 CE MET A 39 -11.768 3.265 14.215 1.00 3.75 C ATOM 0 H MET A 39 -7.135 0.669 10.302 1.00 0.99 H new ATOM 0 HA MET A 39 -8.750 -0.578 12.210 1.00 1.12 H new ATOM 0 HB2 MET A 39 -8.107 1.853 12.001 1.00 1.29 H new ATOM 0 HB3 MET A 39 -9.233 1.999 10.666 1.00 1.29 H new ATOM 0 HG2 MET A 39 -11.107 1.335 12.137 1.00 1.93 H new ATOM 0 HG3 MET A 39 -9.999 1.095 13.473 1.00 1.93 H new ATOM 0 HE1 MET A 39 -12.028 4.247 14.610 1.00 3.75 H new ATOM 0 HE2 MET A 39 -12.628 2.844 13.694 1.00 3.75 H new ATOM 0 HE3 MET A 39 -11.483 2.607 15.036 1.00 3.75 H new ATOM 605 N ALA A 40 -10.129 -0.404 9.208 1.00 0.97 N ATOM 606 CA ALA A 40 -11.131 -1.017 8.347 1.00 0.98 C ATOM 607 C ALA A 40 -10.628 -2.362 7.812 1.00 0.96 C ATOM 608 O ALA A 40 -11.418 -3.278 7.601 1.00 1.31 O ATOM 609 CB ALA A 40 -11.475 -0.058 7.204 1.00 0.97 C ATOM 0 H ALA A 40 -9.483 0.209 8.710 1.00 0.97 H new ATOM 0 HA ALA A 40 -12.036 -1.211 8.923 1.00 0.98 H new ATOM 0 HB1 ALA A 40 -12.225 -0.515 6.559 1.00 0.97 H new ATOM 0 HB2 ALA A 40 -11.868 0.872 7.615 1.00 0.97 H new ATOM 0 HB3 ALA A 40 -10.577 0.153 6.624 1.00 0.97 H new ATOM 615 N GLY A 41 -9.319 -2.463 7.559 1.00 0.75 N ATOM 616 CA GLY A 41 -8.657 -3.650 7.031 1.00 0.74 C ATOM 617 C GLY A 41 -8.293 -3.418 5.569 1.00 0.61 C ATOM 618 O GLY A 41 -8.578 -4.269 4.730 1.00 0.73 O ATOM 0 H GLY A 41 -8.673 -1.691 7.724 1.00 0.75 H new ATOM 0 HA2 GLY A 41 -7.760 -3.868 7.611 1.00 0.74 H new ATOM 0 HA3 GLY A 41 -9.313 -4.516 7.121 1.00 0.74 H new ATOM 622 N LYS A 42 -7.742 -2.239 5.252 1.00 0.49 N ATOM 623 CA LYS A 42 -7.802 -1.593 3.951 1.00 0.71 C ATOM 624 C LYS A 42 -6.595 -0.669 3.846 1.00 0.66 C ATOM 625 O LYS A 42 -5.751 -0.675 4.737 1.00 0.51 O ATOM 626 CB LYS A 42 -9.121 -0.820 3.777 1.00 1.12 C ATOM 627 CG LYS A 42 -10.327 -1.755 3.910 1.00 1.62 C ATOM 628 CD LYS A 42 -11.493 -1.331 3.011 1.00 2.04 C ATOM 629 CE LYS A 42 -12.658 -2.320 3.180 1.00 3.56 C ATOM 630 NZ LYS A 42 -13.690 -2.151 2.135 1.00 4.47 N ATOM 0 H LYS A 42 -7.219 -1.690 5.934 1.00 0.49 H new ATOM 0 HA LYS A 42 -7.775 -2.336 3.154 1.00 0.71 H new ATOM 0 HB2 LYS A 42 -9.185 -0.030 4.525 1.00 1.12 H new ATOM 0 HB3 LYS A 42 -9.137 -0.337 2.800 1.00 1.12 H new ATOM 0 HG2 LYS A 42 -10.026 -2.771 3.656 1.00 1.62 H new ATOM 0 HG3 LYS A 42 -10.659 -1.771 4.948 1.00 1.62 H new ATOM 0 HD2 LYS A 42 -11.817 -0.323 3.270 1.00 2.04 H new ATOM 0 HD3 LYS A 42 -11.172 -1.305 1.970 1.00 2.04 H new ATOM 0 HE2 LYS A 42 -12.274 -3.340 3.148 1.00 3.56 H new ATOM 0 HE3 LYS A 42 -13.111 -2.181 4.162 1.00 3.56 H new ATOM 0 HZ1 LYS A 42 -14.455 -2.838 2.289 1.00 4.47 H new ATOM 0 HZ2 LYS A 42 -14.076 -1.186 2.181 1.00 4.47 H new ATOM 0 HZ3 LYS A 42 -13.265 -2.309 1.199 1.00 4.47 H new ATOM 644 N ALA A 43 -6.479 0.066 2.745 1.00 1.33 N ATOM 645 CA ALA A 43 -5.310 0.819 2.360 1.00 1.23 C ATOM 646 C ALA A 43 -5.703 1.994 1.466 1.00 1.22 C ATOM 647 O ALA A 43 -6.610 1.851 0.644 1.00 1.38 O ATOM 648 CB ALA A 43 -4.416 -0.131 1.573 1.00 1.42 C ATOM 0 H ALA A 43 -7.239 0.151 2.070 1.00 1.33 H new ATOM 0 HA ALA A 43 -4.803 1.216 3.240 1.00 1.23 H new ATOM 0 HB1 ALA A 43 -3.514 0.395 1.258 1.00 1.42 H new ATOM 0 HB2 ALA A 43 -4.141 -0.978 2.202 1.00 1.42 H new ATOM 0 HB3 ALA A 43 -4.952 -0.491 0.694 1.00 1.42 H new ATOM 654 N GLU A 44 -4.972 3.112 1.564 1.00 1.06 N ATOM 655 CA GLU A 44 -4.975 4.135 0.530 1.00 1.05 C ATOM 656 C GLU A 44 -3.548 4.484 0.139 1.00 0.95 C ATOM 657 O GLU A 44 -2.833 5.158 0.874 1.00 1.45 O ATOM 658 CB GLU A 44 -5.764 5.391 0.904 1.00 1.51 C ATOM 659 CG GLU A 44 -5.475 6.069 2.249 1.00 2.03 C ATOM 660 CD GLU A 44 -5.896 7.531 2.184 1.00 3.00 C ATOM 661 OE1 GLU A 44 -5.146 8.337 1.582 1.00 4.32 O ATOM 662 OE2 GLU A 44 -7.003 7.845 2.673 1.00 3.13 O ATOM 0 H GLU A 44 -4.369 3.325 2.359 1.00 1.06 H new ATOM 0 HA GLU A 44 -5.497 3.709 -0.327 1.00 1.05 H new ATOM 0 HB2 GLU A 44 -5.600 6.130 0.120 1.00 1.51 H new ATOM 0 HB3 GLU A 44 -6.823 5.134 0.884 1.00 1.51 H new ATOM 0 HG2 GLU A 44 -6.014 5.560 3.048 1.00 2.03 H new ATOM 0 HG3 GLU A 44 -4.413 5.996 2.484 1.00 2.03 H new ATOM 669 N VAL A 45 -3.125 4.038 -1.036 1.00 0.81 N ATOM 670 CA VAL A 45 -1.850 4.424 -1.573 1.00 0.96 C ATOM 671 C VAL A 45 -2.068 5.770 -2.260 1.00 1.06 C ATOM 672 O VAL A 45 -2.885 5.882 -3.173 1.00 1.36 O ATOM 673 CB VAL A 45 -1.349 3.269 -2.455 1.00 1.06 C ATOM 674 CG1 VAL A 45 -1.421 3.516 -3.961 1.00 1.52 C ATOM 675 CG2 VAL A 45 0.067 2.933 -2.016 1.00 2.09 C ATOM 0 H VAL A 45 -3.659 3.404 -1.631 1.00 0.81 H new ATOM 0 HA VAL A 45 -1.057 4.580 -0.842 1.00 0.96 H new ATOM 0 HB VAL A 45 -2.027 2.429 -2.305 1.00 1.06 H new ATOM 0 HG11 VAL A 45 -1.044 2.641 -4.492 1.00 1.52 H new ATOM 0 HG12 VAL A 45 -2.456 3.698 -4.251 1.00 1.52 H new ATOM 0 HG13 VAL A 45 -0.814 4.385 -4.217 1.00 1.52 H new ATOM 0 HG21 VAL A 45 0.452 2.115 -2.624 1.00 2.09 H new ATOM 0 HG22 VAL A 45 0.704 3.809 -2.141 1.00 2.09 H new ATOM 0 HG23 VAL A 45 0.062 2.634 -0.968 1.00 2.09 H new ATOM 685 N ARG A 46 -1.408 6.818 -1.768 1.00 0.81 N ATOM 686 CA ARG A 46 -1.534 8.151 -2.333 1.00 0.62 C ATOM 687 C ARG A 46 -0.216 8.445 -3.020 1.00 0.48 C ATOM 688 O ARG A 46 0.816 8.425 -2.356 1.00 0.51 O ATOM 689 CB ARG A 46 -1.900 9.145 -1.233 1.00 0.79 C ATOM 690 CG ARG A 46 -2.401 10.500 -1.740 1.00 1.00 C ATOM 691 CD ARG A 46 -2.630 11.445 -0.553 1.00 1.43 C ATOM 692 NE ARG A 46 -3.467 10.838 0.505 1.00 3.05 N ATOM 693 CZ ARG A 46 -3.498 11.240 1.786 1.00 3.95 C ATOM 694 NH1 ARG A 46 -2.834 12.339 2.160 1.00 3.67 N ATOM 695 NH2 ARG A 46 -4.195 10.541 2.682 1.00 5.65 N ATOM 0 H ARG A 46 -0.775 6.762 -0.970 1.00 0.81 H new ATOM 0 HA ARG A 46 -2.336 8.232 -3.067 1.00 0.62 H new ATOM 0 HB2 ARG A 46 -2.669 8.701 -0.601 1.00 0.79 H new ATOM 0 HB3 ARG A 46 -1.026 9.308 -0.603 1.00 0.79 H new ATOM 0 HG2 ARG A 46 -1.674 10.933 -2.427 1.00 1.00 H new ATOM 0 HG3 ARG A 46 -3.328 10.370 -2.298 1.00 1.00 H new ATOM 0 HD2 ARG A 46 -1.667 11.731 -0.130 1.00 1.43 H new ATOM 0 HD3 ARG A 46 -3.106 12.359 -0.908 1.00 1.43 H new ATOM 0 HE ARG A 46 -4.066 10.055 0.242 1.00 3.05 H new ATOM 0 HH11 ARG A 46 -2.303 12.873 1.472 1.00 3.67 H new ATOM 0 HH12 ARG A 46 -2.858 12.643 3.133 1.00 3.67 H new ATOM 0 HH21 ARG A 46 -4.702 9.704 2.394 1.00 5.65 H new ATOM 0 HH22 ARG A 46 -4.221 10.843 3.656 1.00 5.65 H new ATOM 709 N TYR A 47 -0.222 8.621 -4.344 1.00 0.47 N ATOM 710 CA TYR A 47 0.994 8.433 -5.122 1.00 0.47 C ATOM 711 C TYR A 47 1.097 9.311 -6.361 1.00 0.48 C ATOM 712 O TYR A 47 0.152 10.004 -6.735 1.00 0.55 O ATOM 713 CB TYR A 47 1.149 6.944 -5.480 1.00 0.54 C ATOM 714 CG TYR A 47 0.090 6.274 -6.349 1.00 0.56 C ATOM 715 CD1 TYR A 47 -1.005 6.954 -6.923 1.00 1.71 C ATOM 716 CD2 TYR A 47 0.204 4.890 -6.554 1.00 2.05 C ATOM 717 CE1 TYR A 47 -1.967 6.250 -7.665 1.00 1.68 C ATOM 718 CE2 TYR A 47 -0.854 4.170 -7.134 1.00 2.17 C ATOM 719 CZ TYR A 47 -1.951 4.847 -7.673 1.00 0.91 C ATOM 720 OH TYR A 47 -2.926 4.122 -8.287 1.00 1.28 O ATOM 0 H TYR A 47 -1.043 8.889 -4.887 1.00 0.47 H new ATOM 0 HA TYR A 47 1.820 8.757 -4.488 1.00 0.47 H new ATOM 0 HB2 TYR A 47 2.109 6.826 -5.983 1.00 0.54 H new ATOM 0 HB3 TYR A 47 1.208 6.386 -4.545 1.00 0.54 H new ATOM 0 HD1 TYR A 47 -1.104 8.021 -6.791 1.00 1.71 H new ATOM 0 HD2 TYR A 47 1.109 4.376 -6.265 1.00 2.05 H new ATOM 0 HE1 TYR A 47 -2.717 6.787 -8.228 1.00 1.68 H new ATOM 0 HE2 TYR A 47 -0.819 3.091 -7.163 1.00 2.17 H new ATOM 0 HH TYR A 47 -3.791 4.566 -8.164 1.00 1.28 H new ATOM 730 N ASN A 48 2.258 9.246 -7.008 1.00 0.54 N ATOM 731 CA ASN A 48 2.477 9.771 -8.344 1.00 0.67 C ATOM 732 C ASN A 48 2.469 8.574 -9.296 1.00 0.64 C ATOM 733 O ASN A 48 3.511 7.950 -9.497 1.00 0.78 O ATOM 734 CB ASN A 48 3.812 10.523 -8.409 1.00 1.01 C ATOM 735 CG ASN A 48 3.731 11.929 -7.819 1.00 1.78 C ATOM 736 OD1 ASN A 48 3.010 12.187 -6.857 1.00 3.32 O ATOM 737 ND2 ASN A 48 4.463 12.866 -8.416 1.00 2.28 N ATOM 0 H ASN A 48 3.090 8.815 -6.604 1.00 0.54 H new ATOM 0 HA ASN A 48 1.699 10.483 -8.622 1.00 0.67 H new ATOM 0 HB2 ASN A 48 4.571 9.953 -7.873 1.00 1.01 H new ATOM 0 HB3 ASN A 48 4.136 10.588 -9.448 1.00 1.01 H new ATOM 0 HD21 ASN A 48 4.435 13.828 -8.077 1.00 2.28 H new ATOM 0 HD22 ASN A 48 5.052 12.623 -9.212 1.00 2.28 H new ATOM 744 N PRO A 49 1.333 8.230 -9.925 1.00 0.66 N ATOM 745 CA PRO A 49 1.218 7.013 -10.722 1.00 0.91 C ATOM 746 C PRO A 49 2.066 7.043 -12.002 1.00 1.32 C ATOM 747 O PRO A 49 2.131 6.041 -12.714 1.00 2.61 O ATOM 748 CB PRO A 49 -0.274 6.889 -11.041 1.00 0.87 C ATOM 749 CG PRO A 49 -0.760 8.336 -11.045 1.00 0.84 C ATOM 750 CD PRO A 49 0.082 8.975 -9.942 1.00 0.78 C ATOM 0 HA PRO A 49 1.600 6.154 -10.171 1.00 0.91 H new ATOM 0 HB2 PRO A 49 -0.440 6.408 -12.005 1.00 0.87 H new ATOM 0 HB3 PRO A 49 -0.796 6.292 -10.293 1.00 0.87 H new ATOM 0 HG2 PRO A 49 -0.595 8.816 -12.010 1.00 0.84 H new ATOM 0 HG3 PRO A 49 -1.827 8.406 -10.832 1.00 0.84 H new ATOM 0 HD2 PRO A 49 0.257 10.032 -10.145 1.00 0.78 H new ATOM 0 HD3 PRO A 49 -0.423 8.915 -8.978 1.00 0.78 H new ATOM 758 N ALA A 50 2.727 8.168 -12.294 1.00 0.89 N ATOM 759 CA ALA A 50 3.602 8.325 -13.441 1.00 1.04 C ATOM 760 C ALA A 50 4.970 7.750 -13.090 1.00 0.99 C ATOM 761 O ALA A 50 5.710 7.309 -13.962 1.00 1.06 O ATOM 762 CB ALA A 50 3.719 9.817 -13.764 1.00 1.17 C ATOM 0 H ALA A 50 2.661 9.009 -11.721 1.00 0.89 H new ATOM 0 HA ALA A 50 3.204 7.800 -14.310 1.00 1.04 H new ATOM 0 HB1 ALA A 50 4.374 9.953 -14.625 1.00 1.17 H new ATOM 0 HB2 ALA A 50 2.732 10.218 -13.993 1.00 1.17 H new ATOM 0 HB3 ALA A 50 4.135 10.344 -12.905 1.00 1.17 H new ATOM 768 N VAL A 51 5.301 7.792 -11.797 1.00 1.05 N ATOM 769 CA VAL A 51 6.580 7.407 -11.269 1.00 0.94 C ATOM 770 C VAL A 51 6.563 5.893 -11.050 1.00 0.86 C ATOM 771 O VAL A 51 7.285 5.154 -11.711 1.00 1.02 O ATOM 772 CB VAL A 51 6.775 8.200 -9.966 1.00 0.94 C ATOM 773 CG1 VAL A 51 8.049 7.768 -9.273 1.00 0.98 C ATOM 774 CG2 VAL A 51 6.848 9.715 -10.192 1.00 1.19 C ATOM 0 H VAL A 51 4.652 8.108 -11.077 1.00 1.05 H new ATOM 0 HA VAL A 51 7.412 7.628 -11.938 1.00 0.94 H new ATOM 0 HB VAL A 51 5.901 7.986 -9.351 1.00 0.94 H new ATOM 0 HG11 VAL A 51 8.174 8.338 -8.352 1.00 0.98 H new ATOM 0 HG12 VAL A 51 7.993 6.705 -9.037 1.00 0.98 H new ATOM 0 HG13 VAL A 51 8.900 7.949 -9.930 1.00 0.98 H new ATOM 0 HG21 VAL A 51 6.986 10.219 -9.236 1.00 1.19 H new ATOM 0 HG22 VAL A 51 7.688 9.945 -10.848 1.00 1.19 H new ATOM 0 HG23 VAL A 51 5.922 10.059 -10.653 1.00 1.19 H new ATOM 784 N ILE A 52 5.745 5.438 -10.095 1.00 0.83 N ATOM 785 CA ILE A 52 5.878 4.094 -9.546 1.00 0.90 C ATOM 786 C ILE A 52 5.103 3.042 -10.344 1.00 1.01 C ATOM 787 O ILE A 52 5.566 1.914 -10.468 1.00 1.62 O ATOM 788 CB ILE A 52 5.517 4.095 -8.053 1.00 1.02 C ATOM 789 CG1 ILE A 52 5.818 2.695 -7.502 1.00 1.23 C ATOM 790 CG2 ILE A 52 4.061 4.506 -7.775 1.00 1.13 C ATOM 791 CD1 ILE A 52 5.981 2.681 -5.982 1.00 1.83 C ATOM 0 H ILE A 52 4.985 5.985 -9.689 1.00 0.83 H new ATOM 0 HA ILE A 52 6.923 3.798 -9.639 1.00 0.90 H new ATOM 0 HB ILE A 52 6.119 4.850 -7.548 1.00 1.02 H new ATOM 0 HG12 ILE A 52 5.012 2.017 -7.783 1.00 1.23 H new ATOM 0 HG13 ILE A 52 6.729 2.315 -7.964 1.00 1.23 H new ATOM 0 HG21 ILE A 52 3.876 4.485 -6.701 1.00 1.13 H new ATOM 0 HG22 ILE A 52 3.889 5.514 -8.153 1.00 1.13 H new ATOM 0 HG23 ILE A 52 3.385 3.811 -8.274 1.00 1.13 H new ATOM 0 HD11 ILE A 52 6.192 1.665 -5.648 1.00 1.83 H new ATOM 0 HD12 ILE A 52 6.805 3.335 -5.698 1.00 1.83 H new ATOM 0 HD13 ILE A 52 5.061 3.033 -5.514 1.00 1.83 H new ATOM 803 N GLN A 53 3.928 3.433 -10.847 1.00 0.78 N ATOM 804 CA GLN A 53 2.956 2.670 -11.631 1.00 0.81 C ATOM 805 C GLN A 53 1.958 1.891 -10.752 1.00 0.72 C ATOM 806 O GLN A 53 2.364 1.021 -9.989 1.00 0.72 O ATOM 807 CB GLN A 53 3.586 1.807 -12.742 1.00 0.94 C ATOM 808 CG GLN A 53 3.987 2.648 -13.961 1.00 1.23 C ATOM 809 CD GLN A 53 2.778 2.901 -14.856 1.00 1.63 C ATOM 810 OE1 GLN A 53 2.497 2.117 -15.755 1.00 2.96 O ATOM 811 NE2 GLN A 53 2.011 3.959 -14.607 1.00 2.14 N ATOM 0 H GLN A 53 3.603 4.388 -10.699 1.00 0.78 H new ATOM 0 HA GLN A 53 2.370 3.420 -12.162 1.00 0.81 H new ATOM 0 HB2 GLN A 53 4.464 1.294 -12.350 1.00 0.94 H new ATOM 0 HB3 GLN A 53 2.878 1.037 -13.049 1.00 0.94 H new ATOM 0 HG2 GLN A 53 4.409 3.598 -13.632 1.00 1.23 H new ATOM 0 HG3 GLN A 53 4.764 2.133 -14.526 1.00 1.23 H new ATOM 0 HE21 GLN A 53 2.258 4.602 -13.855 1.00 2.14 H new ATOM 0 HE22 GLN A 53 1.176 4.127 -15.168 1.00 2.14 H new ATOM 820 N PRO A 54 0.642 2.168 -10.853 1.00 0.75 N ATOM 821 CA PRO A 54 -0.416 1.539 -10.056 1.00 0.75 C ATOM 822 C PRO A 54 -0.440 0.011 -9.976 1.00 0.68 C ATOM 823 O PRO A 54 -0.573 -0.517 -8.870 1.00 0.72 O ATOM 824 CB PRO A 54 -1.739 2.108 -10.562 1.00 0.91 C ATOM 825 CG PRO A 54 -1.268 3.513 -10.897 1.00 1.03 C ATOM 826 CD PRO A 54 0.050 3.263 -11.607 1.00 0.90 C ATOM 0 HA PRO A 54 -0.212 1.788 -9.015 1.00 0.75 H new ATOM 0 HB2 PRO A 54 -2.125 1.573 -11.430 1.00 0.91 H new ATOM 0 HB3 PRO A 54 -2.523 2.094 -9.805 1.00 0.91 H new ATOM 0 HG2 PRO A 54 -1.979 4.037 -11.536 1.00 1.03 H new ATOM 0 HG3 PRO A 54 -1.137 4.120 -10.001 1.00 1.03 H new ATOM 0 HD2 PRO A 54 -0.102 2.994 -12.652 1.00 0.90 H new ATOM 0 HD3 PRO A 54 0.686 4.148 -11.595 1.00 0.90 H new ATOM 834 N PRO A 55 -0.330 -0.733 -11.090 1.00 0.70 N ATOM 835 CA PRO A 55 -0.181 -2.164 -10.987 1.00 0.83 C ATOM 836 C PRO A 55 1.075 -2.470 -10.178 1.00 0.82 C ATOM 837 O PRO A 55 1.044 -3.303 -9.277 1.00 0.89 O ATOM 838 CB PRO A 55 -0.072 -2.683 -12.419 1.00 1.02 C ATOM 839 CG PRO A 55 0.198 -1.490 -13.312 1.00 0.83 C ATOM 840 CD PRO A 55 -0.190 -0.292 -12.469 1.00 0.73 C ATOM 0 HA PRO A 55 -1.019 -2.642 -10.480 1.00 0.83 H new ATOM 0 HB2 PRO A 55 0.732 -3.415 -12.502 1.00 1.02 H new ATOM 0 HB3 PRO A 55 -0.993 -3.185 -12.717 1.00 1.02 H new ATOM 0 HG2 PRO A 55 1.246 -1.445 -13.608 1.00 0.83 H new ATOM 0 HG3 PRO A 55 -0.390 -1.538 -14.228 1.00 0.83 H new ATOM 0 HD2 PRO A 55 0.569 0.487 -12.544 1.00 0.73 H new ATOM 0 HD3 PRO A 55 -1.125 0.138 -12.827 1.00 0.73 H new ATOM 848 N MET A 56 2.169 -1.761 -10.474 1.00 0.81 N ATOM 849 CA MET A 56 3.474 -2.145 -9.978 1.00 0.97 C ATOM 850 C MET A 56 3.548 -1.924 -8.474 1.00 0.91 C ATOM 851 O MET A 56 4.071 -2.777 -7.766 1.00 1.05 O ATOM 852 CB MET A 56 4.587 -1.432 -10.751 1.00 1.18 C ATOM 853 CG MET A 56 4.565 -1.872 -12.221 1.00 1.52 C ATOM 854 SD MET A 56 5.844 -1.174 -13.300 1.00 1.88 S ATOM 855 CE MET A 56 7.342 -1.821 -12.525 1.00 1.85 C ATOM 0 H MET A 56 2.167 -0.922 -11.054 1.00 0.81 H new ATOM 0 HA MET A 56 3.627 -3.211 -10.149 1.00 0.97 H new ATOM 0 HB2 MET A 56 4.455 -0.352 -10.683 1.00 1.18 H new ATOM 0 HB3 MET A 56 5.556 -1.663 -10.307 1.00 1.18 H new ATOM 0 HG2 MET A 56 4.649 -2.958 -12.252 1.00 1.52 H new ATOM 0 HG3 MET A 56 3.591 -1.616 -12.638 1.00 1.52 H new ATOM 0 HE1 MET A 56 8.201 -1.613 -13.163 1.00 1.85 H new ATOM 0 HE2 MET A 56 7.486 -1.343 -11.556 1.00 1.85 H new ATOM 0 HE3 MET A 56 7.245 -2.898 -12.388 1.00 1.85 H new ATOM 865 N ILE A 57 3.000 -0.818 -7.956 1.00 0.83 N ATOM 866 CA ILE A 57 2.978 -0.634 -6.511 1.00 0.96 C ATOM 867 C ILE A 57 2.161 -1.742 -5.834 1.00 0.85 C ATOM 868 O ILE A 57 2.687 -2.429 -4.959 1.00 1.13 O ATOM 869 CB ILE A 57 2.544 0.794 -6.165 1.00 1.14 C ATOM 870 CG1 ILE A 57 2.666 1.092 -4.667 1.00 2.31 C ATOM 871 CG2 ILE A 57 1.152 1.142 -6.679 1.00 1.53 C ATOM 872 CD1 ILE A 57 2.321 2.561 -4.423 1.00 2.42 C ATOM 0 H ILE A 57 2.580 -0.063 -8.499 1.00 0.83 H new ATOM 0 HA ILE A 57 3.983 -0.739 -6.103 1.00 0.96 H new ATOM 0 HB ILE A 57 3.244 1.442 -6.692 1.00 1.14 H new ATOM 0 HG12 ILE A 57 1.995 0.448 -4.099 1.00 2.31 H new ATOM 0 HG13 ILE A 57 3.678 0.880 -4.322 1.00 2.31 H new ATOM 0 HG21 ILE A 57 0.907 2.167 -6.400 1.00 1.53 H new ATOM 0 HG22 ILE A 57 1.131 1.047 -7.765 1.00 1.53 H new ATOM 0 HG23 ILE A 57 0.422 0.462 -6.241 1.00 1.53 H new ATOM 0 HD11 ILE A 57 2.405 2.783 -3.359 1.00 2.42 H new ATOM 0 HD12 ILE A 57 3.011 3.194 -4.981 1.00 2.42 H new ATOM 0 HD13 ILE A 57 1.301 2.755 -4.755 1.00 2.42 H new ATOM 884 N ALA A 58 0.901 -1.949 -6.247 1.00 0.67 N ATOM 885 CA ALA A 58 0.058 -3.034 -5.761 1.00 0.75 C ATOM 886 C ALA A 58 0.793 -4.376 -5.753 1.00 0.79 C ATOM 887 O ALA A 58 0.811 -5.073 -4.742 1.00 0.89 O ATOM 888 CB ALA A 58 -1.208 -3.110 -6.610 1.00 0.97 C ATOM 0 H ALA A 58 0.440 -1.356 -6.937 1.00 0.67 H new ATOM 0 HA ALA A 58 -0.210 -2.821 -4.726 1.00 0.75 H new ATOM 0 HB1 ALA A 58 -1.840 -3.921 -6.249 1.00 0.97 H new ATOM 0 HB2 ALA A 58 -1.751 -2.167 -6.539 1.00 0.97 H new ATOM 0 HB3 ALA A 58 -0.938 -3.296 -7.650 1.00 0.97 H new ATOM 894 N GLU A 59 1.396 -4.740 -6.881 1.00 0.89 N ATOM 895 CA GLU A 59 2.206 -5.921 -7.049 1.00 1.06 C ATOM 896 C GLU A 59 3.333 -5.971 -6.017 1.00 1.07 C ATOM 897 O GLU A 59 3.450 -6.958 -5.292 1.00 1.16 O ATOM 898 CB GLU A 59 2.716 -5.879 -8.482 1.00 1.18 C ATOM 899 CG GLU A 59 1.602 -6.363 -9.426 1.00 1.43 C ATOM 900 CD GLU A 59 1.689 -5.853 -10.858 1.00 2.07 C ATOM 901 OE1 GLU A 59 2.783 -5.422 -11.278 1.00 3.01 O ATOM 902 OE2 GLU A 59 0.620 -5.909 -11.505 1.00 3.43 O ATOM 0 H GLU A 59 1.324 -4.188 -7.736 1.00 0.89 H new ATOM 0 HA GLU A 59 1.634 -6.833 -6.881 1.00 1.06 H new ATOM 0 HB2 GLU A 59 3.017 -4.865 -8.745 1.00 1.18 H new ATOM 0 HB3 GLU A 59 3.598 -6.511 -8.586 1.00 1.18 H new ATOM 0 HG2 GLU A 59 1.614 -7.453 -9.445 1.00 1.43 H new ATOM 0 HG3 GLU A 59 0.641 -6.062 -9.009 1.00 1.43 H new ATOM 909 N PHE A 60 4.104 -4.889 -5.897 1.00 1.05 N ATOM 910 CA PHE A 60 5.182 -4.776 -4.934 1.00 1.16 C ATOM 911 C PHE A 60 4.731 -5.190 -3.539 1.00 1.10 C ATOM 912 O PHE A 60 5.457 -5.879 -2.828 1.00 1.26 O ATOM 913 CB PHE A 60 5.760 -3.350 -4.937 1.00 1.23 C ATOM 914 CG PHE A 60 7.267 -3.322 -4.861 1.00 1.76 C ATOM 915 CD1 PHE A 60 8.002 -3.985 -5.859 1.00 2.79 C ATOM 916 CD2 PHE A 60 7.938 -2.650 -3.824 1.00 2.67 C ATOM 917 CE1 PHE A 60 9.398 -4.050 -5.777 1.00 3.51 C ATOM 918 CE2 PHE A 60 9.341 -2.682 -3.765 1.00 3.52 C ATOM 919 CZ PHE A 60 10.073 -3.394 -4.733 1.00 3.60 C ATOM 0 H PHE A 60 3.989 -4.059 -6.478 1.00 1.05 H new ATOM 0 HA PHE A 60 5.973 -5.464 -5.232 1.00 1.16 H new ATOM 0 HB2 PHE A 60 5.438 -2.836 -5.843 1.00 1.23 H new ATOM 0 HB3 PHE A 60 5.349 -2.796 -4.093 1.00 1.23 H new ATOM 0 HD1 PHE A 60 7.489 -4.445 -6.691 1.00 2.79 H new ATOM 0 HD2 PHE A 60 7.376 -2.111 -3.075 1.00 2.67 H new ATOM 0 HE1 PHE A 60 9.957 -4.605 -6.516 1.00 3.51 H new ATOM 0 HE2 PHE A 60 9.859 -2.159 -2.975 1.00 3.52 H new ATOM 0 HZ PHE A 60 11.151 -3.436 -4.674 1.00 3.60 H new ATOM 929 N ILE A 61 3.514 -4.803 -3.149 1.00 0.92 N ATOM 930 CA ILE A 61 2.968 -5.155 -1.845 1.00 0.84 C ATOM 931 C ILE A 61 2.933 -6.682 -1.683 1.00 0.86 C ATOM 932 O ILE A 61 3.234 -7.226 -0.618 1.00 0.97 O ATOM 933 CB ILE A 61 1.577 -4.554 -1.652 1.00 0.79 C ATOM 934 CG1 ILE A 61 1.482 -3.078 -2.065 1.00 1.01 C ATOM 935 CG2 ILE A 61 1.149 -4.706 -0.186 1.00 0.72 C ATOM 936 CD1 ILE A 61 2.685 -2.169 -1.797 1.00 2.20 C ATOM 0 H ILE A 61 2.887 -4.242 -3.726 1.00 0.92 H new ATOM 0 HA ILE A 61 3.617 -4.738 -1.075 1.00 0.84 H new ATOM 0 HB ILE A 61 0.906 -5.106 -2.311 1.00 0.79 H new ATOM 0 HG12 ILE A 61 1.272 -3.045 -3.134 1.00 1.01 H new ATOM 0 HG13 ILE A 61 0.620 -2.646 -1.558 1.00 1.01 H new ATOM 0 HG21 ILE A 61 0.156 -4.277 -0.050 1.00 0.72 H new ATOM 0 HG22 ILE A 61 1.126 -5.763 0.079 1.00 0.72 H new ATOM 0 HG23 ILE A 61 1.860 -4.186 0.456 1.00 0.72 H new ATOM 0 HD11 ILE A 61 2.463 -1.160 -2.144 1.00 2.20 H new ATOM 0 HD12 ILE A 61 2.893 -2.147 -0.727 1.00 2.20 H new ATOM 0 HD13 ILE A 61 3.556 -2.552 -2.328 1.00 2.20 H new ATOM 948 N ARG A 62 2.552 -7.378 -2.756 1.00 0.83 N ATOM 949 CA ARG A 62 2.510 -8.828 -2.800 1.00 0.87 C ATOM 950 C ARG A 62 3.934 -9.372 -2.719 1.00 0.89 C ATOM 951 O ARG A 62 4.216 -10.234 -1.892 1.00 0.88 O ATOM 952 CB ARG A 62 1.783 -9.337 -4.058 1.00 0.94 C ATOM 953 CG ARG A 62 0.553 -8.489 -4.407 1.00 0.71 C ATOM 954 CD ARG A 62 -0.279 -9.119 -5.527 1.00 0.95 C ATOM 955 NE ARG A 62 -1.310 -8.171 -5.994 1.00 2.05 N ATOM 956 CZ ARG A 62 -1.445 -7.626 -7.215 1.00 2.80 C ATOM 957 NH1 ARG A 62 -0.697 -8.020 -8.249 1.00 2.49 N ATOM 958 NH2 ARG A 62 -2.363 -6.670 -7.372 1.00 4.25 N ATOM 0 H ARG A 62 2.261 -6.937 -3.628 1.00 0.83 H new ATOM 0 HA ARG A 62 1.940 -9.192 -1.945 1.00 0.87 H new ATOM 0 HB2 ARG A 62 2.475 -9.333 -4.901 1.00 0.94 H new ATOM 0 HB3 ARG A 62 1.476 -10.371 -3.903 1.00 0.94 H new ATOM 0 HG2 ARG A 62 -0.067 -8.368 -3.519 1.00 0.71 H new ATOM 0 HG3 ARG A 62 0.874 -7.492 -4.710 1.00 0.71 H new ATOM 0 HD2 ARG A 62 0.369 -9.400 -6.357 1.00 0.95 H new ATOM 0 HD3 ARG A 62 -0.752 -10.033 -5.168 1.00 0.95 H new ATOM 0 HE ARG A 62 -2.008 -7.895 -5.303 1.00 2.05 H new ATOM 0 HH11 ARG A 62 0.000 -8.754 -8.124 1.00 2.49 H new ATOM 0 HH12 ARG A 62 -0.823 -7.587 -9.164 1.00 2.49 H new ATOM 0 HH21 ARG A 62 -2.934 -6.376 -6.579 1.00 4.25 H new ATOM 0 HH22 ARG A 62 -2.494 -6.233 -8.285 1.00 4.25 H new ATOM 972 N GLU A 63 4.827 -8.852 -3.568 1.00 0.99 N ATOM 973 CA GLU A 63 6.211 -9.267 -3.642 1.00 1.07 C ATOM 974 C GLU A 63 6.892 -9.188 -2.273 1.00 0.94 C ATOM 975 O GLU A 63 7.552 -10.139 -1.859 1.00 1.07 O ATOM 976 CB GLU A 63 6.923 -8.374 -4.660 1.00 1.30 C ATOM 977 CG GLU A 63 6.420 -8.538 -6.092 1.00 1.57 C ATOM 978 CD GLU A 63 6.974 -7.444 -6.996 1.00 2.06 C ATOM 979 OE1 GLU A 63 8.217 -7.323 -7.044 1.00 2.75 O ATOM 980 OE2 GLU A 63 6.144 -6.729 -7.594 1.00 2.73 O ATOM 0 H GLU A 63 4.591 -8.115 -4.233 1.00 0.99 H new ATOM 0 HA GLU A 63 6.263 -10.309 -3.958 1.00 1.07 H new ATOM 0 HB2 GLU A 63 6.803 -7.333 -4.361 1.00 1.30 H new ATOM 0 HB3 GLU A 63 7.991 -8.592 -4.634 1.00 1.30 H new ATOM 0 HG2 GLU A 63 6.715 -9.515 -6.475 1.00 1.57 H new ATOM 0 HG3 GLU A 63 5.331 -8.507 -6.104 1.00 1.57 H new ATOM 987 N LEU A 64 6.750 -8.058 -1.570 1.00 0.86 N ATOM 988 CA LEU A 64 7.434 -7.850 -0.306 1.00 1.00 C ATOM 989 C LEU A 64 6.678 -8.482 0.859 1.00 1.01 C ATOM 990 O LEU A 64 7.306 -8.881 1.837 1.00 1.19 O ATOM 991 CB LEU A 64 7.737 -6.363 -0.095 1.00 1.38 C ATOM 992 CG LEU A 64 6.504 -5.465 0.097 1.00 1.54 C ATOM 993 CD1 LEU A 64 6.152 -5.274 1.573 1.00 2.09 C ATOM 994 CD2 LEU A 64 6.795 -4.101 -0.534 1.00 2.83 C ATOM 0 H LEU A 64 6.164 -7.277 -1.864 1.00 0.86 H new ATOM 0 HA LEU A 64 8.394 -8.366 -0.344 1.00 1.00 H new ATOM 0 HB2 LEU A 64 8.381 -6.260 0.778 1.00 1.38 H new ATOM 0 HB3 LEU A 64 8.302 -5.998 -0.953 1.00 1.38 H new ATOM 0 HG LEU A 64 5.652 -5.948 -0.382 1.00 1.54 H new ATOM 0 HD11 LEU A 64 5.275 -4.633 1.658 1.00 2.09 H new ATOM 0 HD12 LEU A 64 5.938 -6.243 2.024 1.00 2.09 H new ATOM 0 HD13 LEU A 64 6.992 -4.810 2.090 1.00 2.09 H new ATOM 0 HD21 LEU A 64 5.930 -3.450 -0.407 1.00 2.83 H new ATOM 0 HD22 LEU A 64 7.661 -3.653 -0.048 1.00 2.83 H new ATOM 0 HD23 LEU A 64 7.001 -4.228 -1.597 1.00 2.83 H new ATOM 1006 N GLY A 65 5.345 -8.546 0.775 1.00 1.15 N ATOM 1007 CA GLY A 65 4.507 -9.039 1.853 1.00 1.68 C ATOM 1008 C GLY A 65 3.632 -10.199 1.393 1.00 1.08 C ATOM 1009 O GLY A 65 3.978 -11.361 1.600 1.00 1.62 O ATOM 0 H GLY A 65 4.822 -8.254 -0.051 1.00 1.15 H new ATOM 0 HA2 GLY A 65 5.134 -9.362 2.684 1.00 1.68 H new ATOM 0 HA3 GLY A 65 3.877 -8.231 2.224 1.00 1.68 H new ATOM 1013 N PHE A 66 2.451 -9.874 0.858 1.00 1.01 N ATOM 1014 CA PHE A 66 1.306 -10.773 0.934 1.00 1.62 C ATOM 1015 C PHE A 66 0.503 -10.813 -0.348 1.00 1.71 C ATOM 1016 O PHE A 66 0.499 -11.799 -1.079 1.00 3.15 O ATOM 1017 CB PHE A 66 0.452 -10.421 2.167 1.00 2.30 C ATOM 1018 CG PHE A 66 1.263 -10.216 3.429 1.00 2.31 C ATOM 1019 CD1 PHE A 66 1.955 -11.300 4.001 1.00 3.70 C ATOM 1020 CD2 PHE A 66 1.509 -8.909 3.890 1.00 2.10 C ATOM 1021 CE1 PHE A 66 2.907 -11.075 5.009 1.00 3.86 C ATOM 1022 CE2 PHE A 66 2.482 -8.684 4.875 1.00 2.25 C ATOM 1023 CZ PHE A 66 3.175 -9.766 5.442 1.00 2.71 C ATOM 0 H PHE A 66 2.268 -8.997 0.370 1.00 1.01 H new ATOM 0 HA PHE A 66 1.678 -11.790 1.057 1.00 1.62 H new ATOM 0 HB2 PHE A 66 -0.115 -9.514 1.958 1.00 2.30 H new ATOM 0 HB3 PHE A 66 -0.272 -11.218 2.336 1.00 2.30 H new ATOM 0 HD1 PHE A 66 1.754 -12.306 3.664 1.00 3.70 H new ATOM 0 HD2 PHE A 66 0.949 -8.079 3.485 1.00 2.10 H new ATOM 0 HE1 PHE A 66 3.433 -11.908 5.451 1.00 3.86 H new ATOM 0 HE2 PHE A 66 2.699 -7.677 5.198 1.00 2.25 H new ATOM 0 HZ PHE A 66 3.914 -9.592 6.210 1.00 2.71 H new ATOM 1033 N GLY A 67 -0.256 -9.754 -0.571 1.00 1.05 N ATOM 1034 CA GLY A 67 -1.423 -9.853 -1.406 1.00 0.87 C ATOM 1035 C GLY A 67 -2.191 -8.543 -1.291 1.00 0.83 C ATOM 1036 O GLY A 67 -2.419 -8.061 -0.182 1.00 1.54 O ATOM 0 H GLY A 67 -0.081 -8.826 -0.185 1.00 1.05 H new ATOM 0 HA2 GLY A 67 -1.137 -10.038 -2.441 1.00 0.87 H new ATOM 0 HA3 GLY A 67 -2.047 -10.690 -1.093 1.00 0.87 H new ATOM 1040 N ALA A 68 -2.528 -7.944 -2.436 1.00 0.80 N ATOM 1041 CA ALA A 68 -3.113 -6.616 -2.513 1.00 0.72 C ATOM 1042 C ALA A 68 -3.912 -6.493 -3.806 1.00 0.70 C ATOM 1043 O ALA A 68 -3.387 -6.791 -4.885 1.00 0.90 O ATOM 1044 CB ALA A 68 -2.008 -5.560 -2.452 1.00 0.80 C ATOM 0 H ALA A 68 -2.397 -8.382 -3.348 1.00 0.80 H new ATOM 0 HA ALA A 68 -3.784 -6.456 -1.669 1.00 0.72 H new ATOM 0 HB1 ALA A 68 -2.451 -4.566 -2.510 1.00 0.80 H new ATOM 0 HB2 ALA A 68 -1.461 -5.659 -1.514 1.00 0.80 H new ATOM 0 HB3 ALA A 68 -1.323 -5.701 -3.288 1.00 0.80 H new ATOM 1050 N THR A 69 -5.173 -6.077 -3.693 1.00 0.65 N ATOM 1051 CA THR A 69 -6.106 -5.875 -4.780 1.00 0.75 C ATOM 1052 C THR A 69 -6.482 -4.390 -4.768 1.00 0.67 C ATOM 1053 O THR A 69 -6.780 -3.840 -3.710 1.00 0.64 O ATOM 1054 CB THR A 69 -7.300 -6.833 -4.597 1.00 0.91 C ATOM 1055 OG1 THR A 69 -8.369 -6.441 -5.423 1.00 2.41 O ATOM 1056 CG2 THR A 69 -7.812 -6.964 -3.162 1.00 2.09 C ATOM 0 H THR A 69 -5.586 -5.862 -2.785 1.00 0.65 H new ATOM 0 HA THR A 69 -5.688 -6.107 -5.759 1.00 0.75 H new ATOM 0 HB THR A 69 -6.914 -7.813 -4.877 1.00 0.91 H new ATOM 0 HG1 THR A 69 -9.121 -7.057 -5.300 1.00 2.41 H new ATOM 0 HG21 THR A 69 -8.651 -7.659 -3.137 1.00 2.09 H new ATOM 0 HG22 THR A 69 -7.012 -7.338 -2.523 1.00 2.09 H new ATOM 0 HG23 THR A 69 -8.138 -5.988 -2.801 1.00 2.09 H new ATOM 1064 N VAL A 70 -6.420 -3.726 -5.925 1.00 0.68 N ATOM 1065 CA VAL A 70 -6.655 -2.310 -6.085 1.00 0.64 C ATOM 1066 C VAL A 70 -8.154 -2.102 -6.288 1.00 0.70 C ATOM 1067 O VAL A 70 -8.760 -2.777 -7.118 1.00 0.78 O ATOM 1068 CB VAL A 70 -5.801 -1.868 -7.279 1.00 0.64 C ATOM 1069 CG1 VAL A 70 -6.084 -0.434 -7.683 1.00 1.61 C ATOM 1070 CG2 VAL A 70 -4.325 -1.940 -6.894 1.00 1.61 C ATOM 0 H VAL A 70 -6.195 -4.190 -6.805 1.00 0.68 H new ATOM 0 HA VAL A 70 -6.372 -1.710 -5.220 1.00 0.64 H new ATOM 0 HB VAL A 70 -6.043 -2.531 -8.110 1.00 0.64 H new ATOM 0 HG11 VAL A 70 -5.456 -0.165 -8.532 1.00 1.61 H new ATOM 0 HG12 VAL A 70 -7.133 -0.335 -7.961 1.00 1.61 H new ATOM 0 HG13 VAL A 70 -5.866 0.230 -6.846 1.00 1.61 H new ATOM 0 HG21 VAL A 70 -3.713 -1.627 -7.740 1.00 1.61 H new ATOM 0 HG22 VAL A 70 -4.138 -1.281 -6.046 1.00 1.61 H new ATOM 0 HG23 VAL A 70 -4.070 -2.964 -6.621 1.00 1.61 H new ATOM 1080 N ILE A 71 -8.761 -1.217 -5.494 1.00 0.76 N ATOM 1081 CA ILE A 71 -10.203 -1.001 -5.456 1.00 0.88 C ATOM 1082 C ILE A 71 -10.469 0.505 -5.469 1.00 1.01 C ATOM 1083 O ILE A 71 -11.072 1.075 -4.562 1.00 1.68 O ATOM 1084 CB ILE A 71 -10.812 -1.708 -4.235 1.00 0.99 C ATOM 1085 CG1 ILE A 71 -10.360 -3.180 -4.190 1.00 1.30 C ATOM 1086 CG2 ILE A 71 -12.349 -1.644 -4.239 1.00 1.63 C ATOM 1087 CD1 ILE A 71 -11.081 -4.002 -3.125 1.00 1.79 C ATOM 0 H ILE A 71 -8.249 -0.619 -4.846 1.00 0.76 H new ATOM 0 HA ILE A 71 -10.685 -1.435 -6.332 1.00 0.88 H new ATOM 0 HB ILE A 71 -10.455 -1.184 -3.348 1.00 0.99 H new ATOM 0 HG12 ILE A 71 -10.529 -3.635 -5.166 1.00 1.30 H new ATOM 0 HG13 ILE A 71 -9.287 -3.218 -4.003 1.00 1.30 H new ATOM 0 HG21 ILE A 71 -12.737 -2.156 -3.358 1.00 1.63 H new ATOM 0 HG22 ILE A 71 -12.670 -0.602 -4.224 1.00 1.63 H new ATOM 0 HG23 ILE A 71 -12.731 -2.128 -5.138 1.00 1.63 H new ATOM 0 HD11 ILE A 71 -10.715 -5.028 -3.148 1.00 1.79 H new ATOM 0 HD12 ILE A 71 -10.891 -3.571 -2.142 1.00 1.79 H new ATOM 0 HD13 ILE A 71 -12.153 -3.995 -3.323 1.00 1.79 H new ATOM 1099 N GLU A 72 -10.044 1.146 -6.550 1.00 1.03 N ATOM 1100 CA GLU A 72 -10.343 2.537 -6.846 1.00 1.17 C ATOM 1101 C GLU A 72 -11.809 2.664 -7.273 1.00 1.38 C ATOM 1102 O GLU A 72 -12.104 2.955 -8.429 1.00 2.55 O ATOM 1103 CB GLU A 72 -9.381 3.033 -7.930 1.00 1.63 C ATOM 1104 CG GLU A 72 -7.923 2.906 -7.471 1.00 2.78 C ATOM 1105 CD GLU A 72 -6.971 3.443 -8.525 1.00 3.53 C ATOM 1106 OE1 GLU A 72 -7.146 4.630 -8.873 1.00 3.75 O ATOM 1107 OE2 GLU A 72 -6.064 2.685 -8.924 1.00 4.76 O ATOM 0 H GLU A 72 -9.467 0.699 -7.262 1.00 1.03 H new ATOM 0 HA GLU A 72 -10.204 3.159 -5.962 1.00 1.17 H new ATOM 0 HB2 GLU A 72 -9.530 2.458 -8.844 1.00 1.63 H new ATOM 0 HB3 GLU A 72 -9.602 4.073 -8.169 1.00 1.63 H new ATOM 0 HG2 GLU A 72 -7.783 3.452 -6.538 1.00 2.78 H new ATOM 0 HG3 GLU A 72 -7.692 1.861 -7.267 1.00 2.78 H new