USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 2 THR OG1 : rot 81:sc= 1.16 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -125:sc= 1.51 (180deg=-1.08) USER MOD Single : A 4 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 21 THR OG1 : rot -87:sc= 0.915 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.762 USER MOD Single : A 33 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 48 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.546 (180deg=0.546) USER MOD Single : A 51 SER OG : rot 96:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.184) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0158 (180deg=-0.159) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.883 -3.277 1.019 1.00 0.00 N ATOM 2 CA LEU A 1 4.605 -3.967 1.015 1.00 0.00 C ATOM 3 C LEU A 1 4.814 -5.409 0.651 1.00 0.00 C ATOM 4 O LEU A 1 4.406 -6.301 1.371 1.00 0.00 O ATOM 5 CB LEU A 1 3.647 -3.328 0.002 1.00 0.00 C ATOM 6 CG LEU A 1 3.112 -1.934 0.324 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.398 -1.375 -0.883 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.152 -1.989 1.495 1.00 0.00 C ATOM 0 H1 LEU A 1 6.026 -2.816 1.940 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.892 -2.558 0.267 1.00 0.00 H new ATOM 0 HA LEU A 1 4.169 -3.891 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.157 -3.279 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.794 -3.996 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 1 3.952 -1.291 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.017 -0.380 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.093 -1.312 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.568 -2.029 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.782 -0.986 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.314 -2.640 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.669 -2.380 2.371 1.00 0.00 H new ATOM 20 N THR A 2 5.508 -5.617 -0.434 1.00 0.00 N ATOM 21 CA THR A 2 5.794 -6.934 -0.939 1.00 0.00 C ATOM 22 C THR A 2 6.511 -7.777 0.111 1.00 0.00 C ATOM 23 O THR A 2 6.063 -8.887 0.428 1.00 0.00 O ATOM 24 CB THR A 2 6.646 -6.822 -2.224 1.00 0.00 C ATOM 25 OG1 THR A 2 5.916 -6.132 -3.240 1.00 0.00 O ATOM 26 CG2 THR A 2 7.114 -8.171 -2.728 1.00 0.00 C ATOM 0 H THR A 2 5.898 -4.865 -1.002 1.00 0.00 H new ATOM 0 HA THR A 2 4.854 -7.431 -1.177 1.00 0.00 H new ATOM 0 HB THR A 2 7.540 -6.252 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.980 -5.166 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.708 -8.036 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.722 -8.654 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.249 -8.796 -2.952 1.00 0.00 H new ATOM 34 N ALA A 3 7.552 -7.203 0.679 1.00 0.00 N ATOM 35 CA ALA A 3 8.399 -7.871 1.654 1.00 0.00 C ATOM 36 C ALA A 3 7.650 -8.235 2.932 1.00 0.00 C ATOM 37 O ALA A 3 7.802 -9.337 3.459 1.00 0.00 O ATOM 38 CB ALA A 3 9.587 -6.988 1.994 1.00 0.00 C ATOM 0 H ALA A 3 7.840 -6.246 0.475 1.00 0.00 H new ATOM 0 HA ALA A 3 8.737 -8.802 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.218 -7.493 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.164 -6.791 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.232 -6.045 2.411 1.00 0.00 H new ATOM 44 N ASN A 4 6.828 -7.337 3.402 1.00 0.00 N ATOM 45 CA ASN A 4 6.162 -7.517 4.687 1.00 0.00 C ATOM 46 C ASN A 4 4.853 -8.252 4.575 1.00 0.00 C ATOM 47 O ASN A 4 4.480 -9.002 5.476 1.00 0.00 O ATOM 48 CB ASN A 4 5.962 -6.179 5.410 1.00 0.00 C ATOM 49 CG ASN A 4 7.257 -5.595 5.956 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.634 -5.853 7.099 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.939 -4.817 5.163 1.00 0.00 N ATOM 0 H ASN A 4 6.595 -6.468 2.922 1.00 0.00 H new ATOM 0 HA ASN A 4 6.830 -8.140 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.511 -5.465 4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.259 -6.318 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.813 -4.402 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.598 -4.624 4.221 1.00 0.00 H new ATOM 58 N LEU A 5 4.151 -8.055 3.492 1.00 0.00 N ATOM 59 CA LEU A 5 2.862 -8.701 3.324 1.00 0.00 C ATOM 60 C LEU A 5 3.024 -10.034 2.628 1.00 0.00 C ATOM 61 O LEU A 5 2.229 -10.947 2.837 1.00 0.00 O ATOM 62 CB LEU A 5 1.969 -7.823 2.474 1.00 0.00 C ATOM 63 CG LEU A 5 1.748 -6.401 2.969 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.077 -5.598 1.893 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.923 -6.388 4.243 1.00 0.00 C ATOM 0 H LEU A 5 4.439 -7.460 2.715 1.00 0.00 H new ATOM 0 HA LEU A 5 2.422 -8.857 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.393 -7.773 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.997 -8.309 2.385 1.00 0.00 H new ATOM 0 HG LEU A 5 2.715 -5.954 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.918 -4.579 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.709 -5.580 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.117 -6.051 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.781 -5.359 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.048 -6.845 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.443 -6.950 5.019 1.00 0.00 H new ATOM 77 N GLY A 6 4.058 -10.152 1.816 1.00 0.00 N ATOM 78 CA GLY A 6 4.269 -11.385 1.101 1.00 0.00 C ATOM 79 C GLY A 6 3.394 -11.409 -0.112 1.00 0.00 C ATOM 80 O GLY A 6 2.734 -12.411 -0.416 1.00 0.00 O ATOM 0 H GLY A 6 4.749 -9.422 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.316 -11.476 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.042 -12.235 1.744 1.00 0.00 H new ATOM 84 N ILE A 7 3.363 -10.298 -0.796 1.00 0.00 N ATOM 85 CA ILE A 7 2.514 -10.153 -1.957 1.00 0.00 C ATOM 86 C ILE A 7 3.348 -9.995 -3.198 1.00 0.00 C ATOM 87 O ILE A 7 4.574 -9.955 -3.121 1.00 0.00 O ATOM 88 CB ILE A 7 1.547 -8.945 -1.835 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.317 -7.628 -1.647 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.559 -9.162 -0.703 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.438 -6.397 -1.640 1.00 0.00 C ATOM 0 H ILE A 7 3.918 -9.472 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 7 1.913 -11.060 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 7 0.988 -8.869 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.869 -7.673 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.053 -7.532 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.110 -8.304 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.024 -10.062 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.101 -9.276 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.056 -5.510 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.905 -6.325 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.719 -6.468 -0.824 1.00 0.00 H new ATOM 103 N SER A 8 2.702 -9.921 -4.322 1.00 0.00 N ATOM 104 CA SER A 8 3.379 -9.700 -5.557 1.00 0.00 C ATOM 105 C SER A 8 3.680 -8.208 -5.701 1.00 0.00 C ATOM 106 O SER A 8 2.997 -7.364 -5.089 1.00 0.00 O ATOM 107 CB SER A 8 2.491 -10.187 -6.698 1.00 0.00 C ATOM 108 OG SER A 8 1.208 -9.583 -6.622 1.00 0.00 O ATOM 0 H SER A 8 1.690 -10.013 -4.405 1.00 0.00 H new ATOM 0 HA SER A 8 4.320 -10.249 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.955 -9.949 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.392 -11.272 -6.652 1.00 0.00 H new ATOM 0 HG SER A 8 0.651 -9.904 -7.362 1.00 0.00 H new ATOM 114 N SER A 9 4.656 -7.871 -6.506 1.00 0.00 N ATOM 115 CA SER A 9 5.006 -6.493 -6.706 1.00 0.00 C ATOM 116 C SER A 9 3.946 -5.805 -7.560 1.00 0.00 C ATOM 117 O SER A 9 3.800 -4.586 -7.522 1.00 0.00 O ATOM 118 CB SER A 9 6.380 -6.392 -7.330 1.00 0.00 C ATOM 119 OG SER A 9 7.340 -7.064 -6.511 1.00 0.00 O ATOM 0 H SER A 9 5.222 -8.536 -7.033 1.00 0.00 H new ATOM 0 HA SER A 9 5.041 -5.983 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.369 -6.832 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.659 -5.345 -7.447 1.00 0.00 H new ATOM 0 HG SER A 9 8.227 -6.995 -6.923 1.00 0.00 H new ATOM 125 N TYR A 10 3.198 -6.606 -8.323 1.00 0.00 N ATOM 126 CA TYR A 10 2.078 -6.105 -9.082 1.00 0.00 C ATOM 127 C TYR A 10 1.039 -5.589 -8.102 1.00 0.00 C ATOM 128 O TYR A 10 0.594 -4.448 -8.209 1.00 0.00 O ATOM 129 CB TYR A 10 1.468 -7.217 -9.941 1.00 0.00 C ATOM 130 CG TYR A 10 0.400 -6.748 -10.932 1.00 0.00 C ATOM 131 CD1 TYR A 10 -0.916 -6.491 -10.533 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.715 -6.567 -12.268 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.866 -6.073 -11.438 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.234 -6.151 -13.177 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.522 -5.906 -12.756 1.00 0.00 C ATOM 136 OH TYR A 10 -2.474 -5.484 -13.661 1.00 0.00 O ATOM 0 H TYR A 10 3.359 -7.608 -8.424 1.00 0.00 H new ATOM 0 HA TYR A 10 2.411 -5.307 -9.746 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.267 -7.709 -10.495 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.029 -7.966 -9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.192 -6.623 -9.497 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.724 -6.755 -12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.877 -5.878 -11.112 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.032 -6.018 -14.215 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.071 -5.414 -14.551 1.00 0.00 H new ATOM 146 N ALA A 11 0.691 -6.432 -7.124 1.00 0.00 N ATOM 147 CA ALA A 11 -0.279 -6.078 -6.099 1.00 0.00 C ATOM 148 C ALA A 11 0.195 -4.888 -5.318 1.00 0.00 C ATOM 149 O ALA A 11 -0.568 -3.970 -5.083 1.00 0.00 O ATOM 150 CB ALA A 11 -0.542 -7.247 -5.170 1.00 0.00 C ATOM 0 H ALA A 11 1.075 -7.372 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.215 -5.822 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.271 -6.954 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.933 -8.087 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.388 -7.541 -4.683 1.00 0.00 H new ATOM 156 N ALA A 12 1.467 -4.896 -4.956 1.00 0.00 N ATOM 157 CA ALA A 12 2.072 -3.801 -4.217 1.00 0.00 C ATOM 158 C ALA A 12 1.947 -2.499 -4.986 1.00 0.00 C ATOM 159 O ALA A 12 1.550 -1.488 -4.433 1.00 0.00 O ATOM 160 CB ALA A 12 3.523 -4.098 -3.932 1.00 0.00 C ATOM 0 H ALA A 12 2.108 -5.661 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 12 1.542 -3.695 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.962 -3.268 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.598 -5.010 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.059 -4.230 -4.872 1.00 0.00 H new ATOM 166 N LYS A 13 2.241 -2.557 -6.276 1.00 0.00 N ATOM 167 CA LYS A 13 2.156 -1.405 -7.169 1.00 0.00 C ATOM 168 C LYS A 13 0.724 -0.874 -7.193 1.00 0.00 C ATOM 169 O LYS A 13 0.482 0.343 -7.183 1.00 0.00 O ATOM 170 CB LYS A 13 2.572 -1.831 -8.575 1.00 0.00 C ATOM 171 CG LYS A 13 2.650 -0.704 -9.590 1.00 0.00 C ATOM 172 CD LYS A 13 3.002 -1.217 -10.986 1.00 0.00 C ATOM 173 CE LYS A 13 4.353 -1.922 -11.012 1.00 0.00 C ATOM 174 NZ LYS A 13 4.736 -2.325 -12.377 1.00 0.00 N ATOM 0 H LYS A 13 2.549 -3.412 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 13 2.820 -0.617 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.546 -2.317 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.865 -2.577 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.694 -0.181 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.398 0.021 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.228 -1.905 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.015 -0.382 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.116 -1.260 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.316 -2.802 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.660 -2.801 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.021 -2.976 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.797 -1.482 -12.984 1.00 0.00 H new ATOM 188 N LYS A 14 -0.204 -1.793 -7.217 1.00 0.00 N ATOM 189 CA LYS A 14 -1.617 -1.478 -7.196 1.00 0.00 C ATOM 190 C LYS A 14 -2.006 -0.820 -5.878 1.00 0.00 C ATOM 191 O LYS A 14 -2.722 0.185 -5.875 1.00 0.00 O ATOM 192 CB LYS A 14 -2.436 -2.733 -7.466 1.00 0.00 C ATOM 193 CG LYS A 14 -2.210 -3.296 -8.864 1.00 0.00 C ATOM 194 CD LYS A 14 -2.834 -2.410 -9.927 1.00 0.00 C ATOM 195 CE LYS A 14 -2.333 -2.726 -11.310 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.001 -1.907 -12.341 1.00 0.00 N ATOM 0 H LYS A 14 -0.004 -2.793 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.832 -0.761 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.182 -3.493 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.494 -2.505 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.140 -3.392 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.636 -4.297 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.917 -2.526 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.620 -1.366 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.257 -2.557 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.498 -3.782 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.627 -2.156 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.025 -2.087 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.822 -0.900 -12.154 1.00 0.00 H new ATOM 210 N VAL A 15 -1.518 -1.377 -4.770 1.00 0.00 N ATOM 211 CA VAL A 15 -1.720 -0.787 -3.437 1.00 0.00 C ATOM 212 C VAL A 15 -1.191 0.643 -3.420 1.00 0.00 C ATOM 213 O VAL A 15 -1.863 1.552 -2.927 1.00 0.00 O ATOM 214 CB VAL A 15 -0.986 -1.583 -2.321 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.222 -0.959 -0.950 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.404 -3.032 -2.316 1.00 0.00 C ATOM 0 H VAL A 15 -0.976 -2.241 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.791 -0.815 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 15 0.081 -1.536 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.696 -1.538 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.850 0.065 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.290 -0.957 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.873 -3.561 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.478 -3.100 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.164 -3.483 -3.279 1.00 0.00 H new ATOM 226 N ILE A 16 0.003 0.824 -3.994 1.00 0.00 N ATOM 227 CA ILE A 16 0.665 2.128 -4.081 1.00 0.00 C ATOM 228 C ILE A 16 -0.240 3.140 -4.745 1.00 0.00 C ATOM 229 O ILE A 16 -0.410 4.245 -4.249 1.00 0.00 O ATOM 230 CB ILE A 16 2.006 2.044 -4.866 1.00 0.00 C ATOM 231 CG1 ILE A 16 3.009 1.152 -4.142 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.602 3.423 -5.107 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.369 1.620 -2.750 1.00 0.00 C ATOM 0 H ILE A 16 0.540 0.065 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 16 0.883 2.445 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 16 1.784 1.600 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.601 0.143 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.919 1.091 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.537 3.324 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.902 4.026 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.794 3.909 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.087 0.929 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.810 2.616 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.471 1.653 -2.134 1.00 0.00 H new ATOM 245 N ASP A 17 -0.848 2.738 -5.837 1.00 0.00 N ATOM 246 CA ASP A 17 -1.764 3.600 -6.563 1.00 0.00 C ATOM 247 C ASP A 17 -2.930 4.004 -5.690 1.00 0.00 C ATOM 248 O ASP A 17 -3.285 5.166 -5.621 1.00 0.00 O ATOM 249 CB ASP A 17 -2.268 2.921 -7.841 1.00 0.00 C ATOM 250 CG ASP A 17 -3.403 3.674 -8.512 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.163 4.718 -9.141 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.558 3.197 -8.455 1.00 0.00 O ATOM 0 H ASP A 17 -0.726 1.813 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.216 4.498 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.440 2.824 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.602 1.912 -7.601 1.00 0.00 H new ATOM 257 N ILE A 18 -3.458 3.064 -4.964 1.00 0.00 N ATOM 258 CA ILE A 18 -4.627 3.304 -4.145 1.00 0.00 C ATOM 259 C ILE A 18 -4.292 4.196 -2.940 1.00 0.00 C ATOM 260 O ILE A 18 -4.975 5.175 -2.696 1.00 0.00 O ATOM 261 CB ILE A 18 -5.254 1.990 -3.653 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.546 1.068 -4.831 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.535 2.283 -2.882 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.922 -0.339 -4.431 1.00 0.00 C ATOM 0 H ILE A 18 -3.099 2.111 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.351 3.820 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.548 1.490 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.356 1.496 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.668 1.029 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.974 1.347 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.307 2.915 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.242 2.797 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.114 -0.932 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.104 -0.788 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.819 -0.314 -3.812 1.00 0.00 H new ATOM 276 N ILE A 19 -3.247 3.854 -2.202 1.00 0.00 N ATOM 277 CA ILE A 19 -2.832 4.665 -1.032 1.00 0.00 C ATOM 278 C ILE A 19 -2.403 6.094 -1.444 1.00 0.00 C ATOM 279 O ILE A 19 -2.468 7.031 -0.640 1.00 0.00 O ATOM 280 CB ILE A 19 -1.684 4.000 -0.207 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.425 3.833 -1.067 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.135 2.658 0.366 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.767 3.262 -0.339 1.00 0.00 C ATOM 0 H ILE A 19 -2.667 3.033 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.715 4.725 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.439 4.657 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.662 3.185 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.151 4.805 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.320 2.213 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.994 2.812 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.414 1.990 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.609 3.181 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.037 3.918 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.518 2.274 0.048 1.00 0.00 H new ATOM 295 N ASN A 20 -1.965 6.237 -2.689 1.00 0.00 N ATOM 296 CA ASN A 20 -1.518 7.523 -3.228 1.00 0.00 C ATOM 297 C ASN A 20 -2.741 8.344 -3.675 1.00 0.00 C ATOM 298 O ASN A 20 -2.779 9.568 -3.538 1.00 0.00 O ATOM 299 CB ASN A 20 -0.591 7.259 -4.441 1.00 0.00 C ATOM 300 CG ASN A 20 0.334 8.411 -4.842 1.00 0.00 C ATOM 301 OD1 ASN A 20 0.047 9.594 -4.640 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.454 8.056 -5.443 1.00 0.00 N ATOM 0 H ASN A 20 -1.908 5.467 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.975 8.081 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.023 6.386 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.212 7.003 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.113 8.769 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.661 7.069 -5.594 1.00 0.00 H new ATOM 309 N THR A 21 -3.743 7.659 -4.195 1.00 0.00 N ATOM 310 CA THR A 21 -4.939 8.312 -4.702 1.00 0.00 C ATOM 311 C THR A 21 -5.956 8.594 -3.591 1.00 0.00 C ATOM 312 O THR A 21 -6.447 9.722 -3.452 1.00 0.00 O ATOM 313 CB THR A 21 -5.606 7.472 -5.821 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.782 6.122 -5.369 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.754 7.437 -7.063 1.00 0.00 C ATOM 0 H THR A 21 -3.753 6.642 -4.278 1.00 0.00 H new ATOM 0 HA THR A 21 -4.618 9.267 -5.118 1.00 0.00 H new ATOM 0 HB THR A 21 -6.564 7.936 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.972 5.605 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.250 6.840 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.608 8.452 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.786 6.994 -6.828 1.00 0.00 H new ATOM 323 N GLY A 22 -6.237 7.581 -2.793 1.00 0.00 N ATOM 324 CA GLY A 22 -7.217 7.687 -1.748 1.00 0.00 C ATOM 325 C GLY A 22 -6.767 8.600 -0.642 1.00 0.00 C ATOM 326 O GLY A 22 -5.564 8.789 -0.425 1.00 0.00 O ATOM 0 H GLY A 22 -5.789 6.667 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.153 8.058 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.420 6.697 -1.340 1.00 0.00 H new ATOM 330 N SER A 23 -7.702 9.171 0.038 1.00 0.00 N ATOM 331 CA SER A 23 -7.411 10.086 1.092 1.00 0.00 C ATOM 332 C SER A 23 -7.590 9.440 2.471 1.00 0.00 C ATOM 333 O SER A 23 -6.600 9.033 3.108 1.00 0.00 O ATOM 334 CB SER A 23 -8.283 11.316 0.934 1.00 0.00 C ATOM 335 OG SER A 23 -8.017 11.976 -0.299 1.00 0.00 O ATOM 0 H SER A 23 -8.697 9.016 -0.122 1.00 0.00 H new ATOM 0 HA SER A 23 -6.364 10.380 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.334 11.029 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.105 12.001 1.763 1.00 0.00 H new ATOM 0 HG SER A 23 -8.593 12.765 -0.379 1.00 0.00 H new ATOM 341 N ALA A 24 -8.841 9.321 2.913 1.00 0.00 N ATOM 342 CA ALA A 24 -9.156 8.746 4.219 1.00 0.00 C ATOM 343 C ALA A 24 -8.718 7.307 4.308 1.00 0.00 C ATOM 344 O ALA A 24 -8.938 6.524 3.379 1.00 0.00 O ATOM 345 CB ALA A 24 -10.633 8.840 4.527 1.00 0.00 C ATOM 0 H ALA A 24 -9.659 9.618 2.380 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.606 9.330 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.829 8.402 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.938 9.886 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.198 8.299 3.768 1.00 0.00 H new ATOM 351 N VAL A 25 -8.130 6.964 5.435 1.00 0.00 N ATOM 352 CA VAL A 25 -7.606 5.630 5.692 1.00 0.00 C ATOM 353 C VAL A 25 -8.673 4.561 5.475 1.00 0.00 C ATOM 354 O VAL A 25 -8.448 3.611 4.735 1.00 0.00 O ATOM 355 CB VAL A 25 -6.998 5.518 7.124 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.447 4.122 7.392 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.905 6.559 7.324 1.00 0.00 C ATOM 0 H VAL A 25 -7.998 7.611 6.213 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.804 5.458 4.974 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.802 5.705 7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.032 4.082 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.250 3.390 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.665 3.894 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.493 6.465 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.114 6.401 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.325 7.557 7.196 1.00 0.00 H new ATOM 367 N ALA A 26 -9.846 4.763 6.065 1.00 0.00 N ATOM 368 CA ALA A 26 -10.958 3.817 5.941 1.00 0.00 C ATOM 369 C ALA A 26 -11.373 3.631 4.481 1.00 0.00 C ATOM 370 O ALA A 26 -11.715 2.515 4.054 1.00 0.00 O ATOM 371 CB ALA A 26 -12.143 4.281 6.772 1.00 0.00 C ATOM 0 H ALA A 26 -10.056 5.579 6.639 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.618 2.852 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.961 3.568 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.849 4.348 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.470 5.261 6.424 1.00 0.00 H new ATOM 377 N THR A 27 -11.270 4.700 3.715 1.00 0.00 N ATOM 378 CA THR A 27 -11.649 4.686 2.323 1.00 0.00 C ATOM 379 C THR A 27 -10.623 3.871 1.521 1.00 0.00 C ATOM 380 O THR A 27 -10.982 3.034 0.675 1.00 0.00 O ATOM 381 CB THR A 27 -11.733 6.136 1.800 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.604 6.879 2.674 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.284 6.183 0.378 1.00 0.00 C ATOM 0 H THR A 27 -10.921 5.600 4.044 1.00 0.00 H new ATOM 0 HA THR A 27 -12.627 4.219 2.207 1.00 0.00 H new ATOM 0 HB THR A 27 -10.732 6.567 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.798 7.754 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.330 7.218 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.631 5.614 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.284 5.751 0.361 1.00 0.00 H new ATOM 391 N ILE A 28 -9.359 4.074 1.845 1.00 0.00 N ATOM 392 CA ILE A 28 -8.280 3.371 1.206 1.00 0.00 C ATOM 393 C ILE A 28 -8.368 1.890 1.516 1.00 0.00 C ATOM 394 O ILE A 28 -8.289 1.076 0.605 1.00 0.00 O ATOM 395 CB ILE A 28 -6.920 3.943 1.653 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.836 5.415 1.284 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.766 3.178 1.026 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.658 6.120 1.886 1.00 0.00 C ATOM 0 H ILE A 28 -9.059 4.735 2.562 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.365 3.505 0.128 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.843 3.835 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.788 5.506 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.750 5.914 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.821 3.606 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.817 2.131 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.831 3.247 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.664 7.166 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.715 6.061 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.737 5.647 1.545 1.00 0.00 H new ATOM 410 N ILE A 29 -8.592 1.553 2.793 1.00 0.00 N ATOM 411 CA ILE A 29 -8.704 0.157 3.219 1.00 0.00 C ATOM 412 C ILE A 29 -9.736 -0.583 2.383 1.00 0.00 C ATOM 413 O ILE A 29 -9.469 -1.675 1.901 1.00 0.00 O ATOM 414 CB ILE A 29 -9.087 0.047 4.714 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.012 0.684 5.572 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.296 -1.416 5.129 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.422 0.856 6.996 1.00 0.00 C ATOM 0 H ILE A 29 -8.699 2.231 3.548 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.725 -0.299 3.075 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.028 0.577 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.112 0.070 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.753 1.657 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.564 -1.460 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.097 -1.852 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.375 -1.976 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.608 1.317 7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.304 1.494 7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.654 -0.118 7.428 1.00 0.00 H new ATOM 429 N ALA A 30 -10.874 0.050 2.154 1.00 0.00 N ATOM 430 CA ALA A 30 -11.952 -0.564 1.401 1.00 0.00 C ATOM 431 C ALA A 30 -11.508 -0.871 -0.017 1.00 0.00 C ATOM 432 O ALA A 30 -11.753 -1.972 -0.542 1.00 0.00 O ATOM 433 CB ALA A 30 -13.175 0.339 1.384 1.00 0.00 C ATOM 0 H ALA A 30 -11.075 0.995 2.482 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.218 -1.500 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.972 -0.139 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.513 0.513 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.918 1.291 0.920 1.00 0.00 H new ATOM 439 N LEU A 31 -10.800 0.067 -0.601 1.00 0.00 N ATOM 440 CA LEU A 31 -10.357 -0.064 -1.966 1.00 0.00 C ATOM 441 C LEU A 31 -9.248 -1.110 -2.093 1.00 0.00 C ATOM 442 O LEU A 31 -9.321 -2.004 -2.943 1.00 0.00 O ATOM 443 CB LEU A 31 -9.896 1.289 -2.499 1.00 0.00 C ATOM 444 CG LEU A 31 -10.954 2.400 -2.534 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.339 3.705 -3.001 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.122 2.013 -3.435 1.00 0.00 C ATOM 0 H LEU A 31 -10.517 0.935 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.198 -0.408 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.060 1.631 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.515 1.147 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.334 2.535 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.104 4.481 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.542 3.997 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.928 3.576 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.858 2.817 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.759 1.844 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.585 1.101 -3.059 1.00 0.00 H new ATOM 458 N VAL A 32 -8.258 -1.039 -1.215 1.00 0.00 N ATOM 459 CA VAL A 32 -7.129 -1.959 -1.281 1.00 0.00 C ATOM 460 C VAL A 32 -7.600 -3.385 -0.983 1.00 0.00 C ATOM 461 O VAL A 32 -7.171 -4.340 -1.634 1.00 0.00 O ATOM 462 CB VAL A 32 -5.972 -1.592 -0.304 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.725 -2.353 -0.657 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.670 -0.120 -0.313 1.00 0.00 C ATOM 0 H VAL A 32 -8.212 -0.361 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.732 -1.883 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.304 -1.866 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.927 -2.085 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.920 -3.423 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.422 -2.104 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.857 0.089 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.375 0.185 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.558 0.435 -0.011 1.00 0.00 H new ATOM 474 N THR A 33 -8.534 -3.513 -0.050 1.00 0.00 N ATOM 475 CA THR A 33 -9.063 -4.811 0.325 1.00 0.00 C ATOM 476 C THR A 33 -9.876 -5.425 -0.826 1.00 0.00 C ATOM 477 O THR A 33 -9.934 -6.638 -0.986 1.00 0.00 O ATOM 478 CB THR A 33 -9.902 -4.710 1.622 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.083 -4.142 2.658 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.397 -6.067 2.080 1.00 0.00 C ATOM 0 H THR A 33 -8.940 -2.729 0.461 1.00 0.00 H new ATOM 0 HA THR A 33 -8.224 -5.477 0.526 1.00 0.00 H new ATOM 0 HB THR A 33 -10.771 -4.084 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.236 -3.175 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.981 -5.952 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.021 -6.508 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.545 -6.719 2.274 1.00 0.00 H new ATOM 488 N ALA A 34 -10.459 -4.589 -1.654 1.00 0.00 N ATOM 489 CA ALA A 34 -11.187 -5.080 -2.806 1.00 0.00 C ATOM 490 C ALA A 34 -10.212 -5.594 -3.873 1.00 0.00 C ATOM 491 O ALA A 34 -10.490 -6.568 -4.581 1.00 0.00 O ATOM 492 CB ALA A 34 -12.088 -3.995 -3.376 1.00 0.00 C ATOM 0 H ALA A 34 -10.445 -3.574 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.818 -5.910 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.625 -4.385 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.803 -3.680 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.482 -3.142 -3.680 1.00 0.00 H new ATOM 498 N VAL A 35 -9.050 -4.975 -3.933 1.00 0.00 N ATOM 499 CA VAL A 35 -8.058 -5.288 -4.942 1.00 0.00 C ATOM 500 C VAL A 35 -7.166 -6.474 -4.549 1.00 0.00 C ATOM 501 O VAL A 35 -6.927 -7.382 -5.366 1.00 0.00 O ATOM 502 CB VAL A 35 -7.199 -4.028 -5.270 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.038 -4.354 -6.204 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.081 -2.958 -5.897 1.00 0.00 C ATOM 0 H VAL A 35 -8.767 -4.241 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.598 -5.592 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.775 -3.662 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.467 -3.447 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.390 -5.094 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.426 -4.754 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.479 -2.078 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.524 -3.344 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.873 -2.685 -5.200 1.00 0.00 H new ATOM 514 N VAL A 36 -6.685 -6.486 -3.321 1.00 0.00 N ATOM 515 CA VAL A 36 -5.747 -7.544 -2.897 1.00 0.00 C ATOM 516 C VAL A 36 -6.422 -8.631 -2.078 1.00 0.00 C ATOM 517 O VAL A 36 -5.867 -9.718 -1.898 1.00 0.00 O ATOM 518 CB VAL A 36 -4.540 -6.993 -2.072 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.820 -5.883 -2.819 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.957 -6.546 -0.656 1.00 0.00 C ATOM 0 H VAL A 36 -6.913 -5.798 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.379 -7.968 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.838 -7.817 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.986 -5.522 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.444 -6.267 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.513 -5.063 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.084 -6.171 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.705 -5.757 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.377 -7.394 -0.115 1.00 0.00 H new ATOM 551 N LEU A 40 -4.372 -8.378 4.343 1.00 0.00 N ATOM 552 CA LEU A 40 -3.116 -7.788 3.968 1.00 0.00 C ATOM 553 C LEU A 40 -3.011 -6.312 4.388 1.00 0.00 C ATOM 554 O LEU A 40 -2.464 -5.977 5.454 1.00 0.00 O ATOM 555 CB LEU A 40 -2.916 -7.965 2.468 1.00 0.00 C ATOM 556 CG LEU A 40 -2.882 -9.417 1.972 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.830 -9.468 0.460 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.697 -10.161 2.568 1.00 0.00 C ATOM 0 HA LEU A 40 -2.317 -8.301 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.718 -7.441 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.982 -7.481 2.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.798 -9.907 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.807 -10.507 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.712 -8.977 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.934 -8.956 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.692 -11.188 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.771 -9.667 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.777 -10.162 3.655 1.00 0.00 H new ATOM 570 N ILE A 41 -3.552 -5.441 3.603 1.00 0.00 N ATOM 571 CA ILE A 41 -3.455 -4.062 3.902 1.00 0.00 C ATOM 572 C ILE A 41 -4.540 -3.652 4.873 1.00 0.00 C ATOM 573 O ILE A 41 -5.720 -3.506 4.517 1.00 0.00 O ATOM 574 CB ILE A 41 -3.415 -3.139 2.639 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.191 -3.453 1.761 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.380 -1.676 3.042 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.315 -4.667 0.873 1.00 0.00 C ATOM 0 H ILE A 41 -4.065 -5.665 2.750 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.487 -3.917 4.382 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.321 -3.333 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.986 -2.586 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.326 -3.588 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.352 -1.053 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.271 -1.437 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.492 -1.486 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.397 -4.794 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.484 -5.551 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.154 -4.534 0.190 1.00 0.00 H new ATOM 589 N THR A 42 -4.147 -3.567 6.104 1.00 0.00 N ATOM 590 CA THR A 42 -4.992 -3.118 7.162 1.00 0.00 C ATOM 591 C THR A 42 -4.719 -1.633 7.408 1.00 0.00 C ATOM 592 O THR A 42 -3.872 -1.044 6.718 1.00 0.00 O ATOM 593 CB THR A 42 -4.666 -3.932 8.419 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.236 -3.950 8.593 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.180 -5.361 8.287 1.00 0.00 C ATOM 0 H THR A 42 -3.205 -3.814 6.408 1.00 0.00 H new ATOM 0 HA THR A 42 -6.043 -3.251 6.906 1.00 0.00 H new ATOM 0 HB THR A 42 -5.151 -3.473 9.280 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.011 -4.466 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.937 -5.920 9.191 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.261 -5.347 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.710 -5.839 7.428 1.00 0.00 H new ATOM 603 N ALA A 43 -5.410 -1.032 8.375 1.00 0.00 N ATOM 604 CA ALA A 43 -5.240 0.390 8.709 1.00 0.00 C ATOM 605 C ALA A 43 -3.794 0.708 9.036 1.00 0.00 C ATOM 606 O ALA A 43 -3.261 1.746 8.616 1.00 0.00 O ATOM 607 CB ALA A 43 -6.138 0.775 9.877 1.00 0.00 C ATOM 0 H ALA A 43 -6.103 -1.511 8.950 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.527 0.974 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.999 1.831 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.179 0.597 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.879 0.174 10.749 1.00 0.00 H new ATOM 613 N GLY A 44 -3.157 -0.211 9.747 1.00 0.00 N ATOM 614 CA GLY A 44 -1.779 -0.053 10.120 1.00 0.00 C ATOM 615 C GLY A 44 -0.880 -0.058 8.913 1.00 0.00 C ATOM 616 O GLY A 44 0.079 0.729 8.838 1.00 0.00 O ATOM 0 H GLY A 44 -3.586 -1.077 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.653 0.882 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.489 -0.858 10.795 1.00 0.00 H new ATOM 620 N ILE A 45 -1.203 -0.898 7.933 1.00 0.00 N ATOM 621 CA ILE A 45 -0.416 -0.970 6.737 1.00 0.00 C ATOM 622 C ILE A 45 -0.629 0.294 5.911 1.00 0.00 C ATOM 623 O ILE A 45 0.327 0.877 5.433 1.00 0.00 O ATOM 624 CB ILE A 45 -0.729 -2.244 5.901 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.473 -3.519 6.728 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.096 -2.278 4.619 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.959 -3.687 7.212 1.00 0.00 C ATOM 0 H ILE A 45 -2.003 -1.530 7.957 1.00 0.00 H new ATOM 0 HA ILE A 45 0.633 -1.041 7.025 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.784 -2.208 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.136 -3.513 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.742 -4.386 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.144 -3.180 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.134 -1.400 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.157 -2.278 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.044 -4.611 7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.630 -3.729 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.231 -2.842 7.845 1.00 0.00 H new ATOM 639 N VAL A 46 -1.888 0.740 5.806 1.00 0.00 N ATOM 640 CA VAL A 46 -2.235 1.964 5.060 1.00 0.00 C ATOM 641 C VAL A 46 -1.465 3.166 5.607 1.00 0.00 C ATOM 642 O VAL A 46 -0.790 3.879 4.851 1.00 0.00 O ATOM 643 CB VAL A 46 -3.764 2.296 5.124 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.072 3.607 4.406 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.589 1.187 4.519 1.00 0.00 C ATOM 0 H VAL A 46 -2.689 0.271 6.229 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.963 1.771 4.022 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.027 2.398 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.141 3.812 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.519 4.419 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.776 3.527 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.646 1.446 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.306 1.051 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.411 0.261 5.066 1.00 0.00 H new ATOM 655 N ALA A 47 -1.559 3.366 6.920 1.00 0.00 N ATOM 656 CA ALA A 47 -0.910 4.483 7.592 1.00 0.00 C ATOM 657 C ALA A 47 0.592 4.455 7.364 1.00 0.00 C ATOM 658 O ALA A 47 1.193 5.469 6.969 1.00 0.00 O ATOM 659 CB ALA A 47 -1.225 4.463 9.081 1.00 0.00 C ATOM 0 H ALA A 47 -2.087 2.757 7.545 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.299 5.408 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.732 5.304 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.303 4.540 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.866 3.530 9.516 1.00 0.00 H new ATOM 665 N THR A 48 1.181 3.296 7.559 1.00 0.00 N ATOM 666 CA THR A 48 2.597 3.127 7.373 1.00 0.00 C ATOM 667 C THR A 48 2.987 3.365 5.899 1.00 0.00 C ATOM 668 O THR A 48 3.852 4.188 5.611 1.00 0.00 O ATOM 669 CB THR A 48 3.042 1.720 7.821 1.00 0.00 C ATOM 670 OG1 THR A 48 2.645 1.502 9.200 1.00 0.00 O ATOM 671 CG2 THR A 48 4.551 1.579 7.700 1.00 0.00 C ATOM 0 H THR A 48 0.691 2.450 7.850 1.00 0.00 H new ATOM 0 HA THR A 48 3.108 3.866 7.990 1.00 0.00 H new ATOM 0 HB THR A 48 2.566 0.979 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.710 1.211 9.229 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.850 0.581 8.020 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.849 1.732 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.038 2.323 8.331 1.00 0.00 H new ATOM 679 N ALA A 49 2.293 2.696 4.988 1.00 0.00 N ATOM 680 CA ALA A 49 2.579 2.772 3.562 1.00 0.00 C ATOM 681 C ALA A 49 2.496 4.197 3.031 1.00 0.00 C ATOM 682 O ALA A 49 3.400 4.643 2.318 1.00 0.00 O ATOM 683 CB ALA A 49 1.667 1.848 2.775 1.00 0.00 C ATOM 0 H ALA A 49 1.512 2.082 5.219 1.00 0.00 H new ATOM 0 HA ALA A 49 3.608 2.440 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.901 1.924 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.816 0.821 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.628 2.136 2.939 1.00 0.00 H new ATOM 689 N LYS A 50 1.450 4.940 3.415 1.00 0.00 N ATOM 690 CA LYS A 50 1.326 6.305 2.939 1.00 0.00 C ATOM 691 C LYS A 50 2.433 7.193 3.526 1.00 0.00 C ATOM 692 O LYS A 50 2.877 8.159 2.897 1.00 0.00 O ATOM 693 CB LYS A 50 -0.070 6.924 3.187 1.00 0.00 C ATOM 694 CG LYS A 50 -0.446 7.154 4.648 1.00 0.00 C ATOM 695 CD LYS A 50 -1.602 8.152 4.776 1.00 0.00 C ATOM 696 CE LYS A 50 -2.900 7.669 4.139 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.918 8.756 4.097 1.00 0.00 N ATOM 0 H LYS A 50 0.704 4.624 4.034 1.00 0.00 H new ATOM 0 HA LYS A 50 1.445 6.258 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.121 7.879 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.820 6.274 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.729 6.206 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.421 7.526 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.779 8.356 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.309 9.095 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.702 7.314 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.292 6.822 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.778 8.408 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.148 9.053 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.539 9.567 3.567 1.00 0.00 H new ATOM 711 N SER A 51 2.904 6.847 4.705 1.00 0.00 N ATOM 712 CA SER A 51 3.959 7.597 5.324 1.00 0.00 C ATOM 713 C SER A 51 5.293 7.298 4.630 1.00 0.00 C ATOM 714 O SER A 51 6.111 8.205 4.411 1.00 0.00 O ATOM 715 CB SER A 51 4.013 7.287 6.816 1.00 0.00 C ATOM 716 OG SER A 51 2.758 7.577 7.430 1.00 0.00 O ATOM 0 H SER A 51 2.569 6.051 5.248 1.00 0.00 H new ATOM 0 HA SER A 51 3.762 8.663 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.265 6.237 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.800 7.875 7.288 1.00 0.00 H new ATOM 0 HG SER A 51 2.223 6.758 7.484 1.00 0.00 H new ATOM 722 N LEU A 52 5.479 6.045 4.233 1.00 0.00 N ATOM 723 CA LEU A 52 6.682 5.616 3.546 1.00 0.00 C ATOM 724 C LEU A 52 6.771 6.261 2.172 1.00 0.00 C ATOM 725 O LEU A 52 7.834 6.695 1.769 1.00 0.00 O ATOM 726 CB LEU A 52 6.714 4.101 3.398 1.00 0.00 C ATOM 727 CG LEU A 52 6.615 3.289 4.683 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.478 1.834 4.354 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.822 3.510 5.573 1.00 0.00 C ATOM 0 H LEU A 52 4.797 5.301 4.380 1.00 0.00 H new ATOM 0 HA LEU A 52 7.536 5.929 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.894 3.805 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.640 3.827 2.892 1.00 0.00 H new ATOM 0 HG LEU A 52 5.733 3.624 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.408 1.257 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.578 1.679 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.349 1.506 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.718 2.916 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.725 3.208 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.892 4.565 5.836 1.00 0.00 H new ATOM 741 N ILE A 53 5.649 6.351 1.459 1.00 0.00 N ATOM 742 CA ILE A 53 5.655 6.972 0.126 1.00 0.00 C ATOM 743 C ILE A 53 5.839 8.484 0.234 1.00 0.00 C ATOM 744 O ILE A 53 6.332 9.133 -0.697 1.00 0.00 O ATOM 745 CB ILE A 53 4.374 6.656 -0.718 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.124 7.297 -0.107 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.189 5.156 -0.855 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.839 7.044 -0.878 1.00 0.00 C ATOM 0 H ILE A 53 4.739 6.011 1.770 1.00 0.00 H new ATOM 0 HA ILE A 53 6.500 6.531 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 53 4.514 7.087 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.001 6.924 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.282 8.373 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.295 4.952 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.058 4.726 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.081 4.711 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.008 7.535 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.936 7.443 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.650 5.972 -0.928 1.00 0.00 H new ATOM 760 N LYS A 54 5.464 9.039 1.381 1.00 0.00 N ATOM 761 CA LYS A 54 5.588 10.459 1.604 1.00 0.00 C ATOM 762 C LYS A 54 7.062 10.851 1.837 1.00 0.00 C ATOM 763 O LYS A 54 7.478 11.965 1.500 1.00 0.00 O ATOM 764 CB LYS A 54 4.706 10.887 2.781 1.00 0.00 C ATOM 765 CG LYS A 54 4.570 12.387 2.948 1.00 0.00 C ATOM 766 CD LYS A 54 3.742 12.741 4.169 1.00 0.00 C ATOM 767 CE LYS A 54 3.541 14.244 4.292 1.00 0.00 C ATOM 768 NZ LYS A 54 4.822 14.981 4.359 1.00 0.00 N ATOM 0 H LYS A 54 5.072 8.519 2.166 1.00 0.00 H new ATOM 0 HA LYS A 54 5.246 10.984 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.713 10.457 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.117 10.467 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.560 12.835 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.106 12.812 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.772 12.247 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.235 12.365 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.964 14.601 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.955 14.457 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.639 15.973 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.434 14.548 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.295 14.940 3.434 1.00 0.00 H new ATOM 782 N LYS A 55 7.842 9.942 2.414 1.00 0.00 N ATOM 783 CA LYS A 55 9.272 10.199 2.641 1.00 0.00 C ATOM 784 C LYS A 55 10.181 9.468 1.657 1.00 0.00 C ATOM 785 O LYS A 55 10.924 10.083 0.901 1.00 0.00 O ATOM 786 CB LYS A 55 9.694 9.889 4.101 1.00 0.00 C ATOM 787 CG LYS A 55 9.127 8.606 4.686 1.00 0.00 C ATOM 788 CD LYS A 55 9.529 8.415 6.143 1.00 0.00 C ATOM 789 CE LYS A 55 8.884 9.425 7.077 1.00 0.00 C ATOM 790 NZ LYS A 55 7.412 9.293 7.104 1.00 0.00 N ATOM 0 H LYS A 55 7.519 9.028 2.732 1.00 0.00 H new ATOM 0 HA LYS A 55 9.403 11.266 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.782 9.838 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.389 10.722 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.040 8.622 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.475 7.756 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.255 7.409 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.613 8.492 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.279 9.291 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.152 10.433 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.029 9.838 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.014 9.657 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.155 8.291 7.213 1.00 0.00 H new ATOM 804 N TYR A 56 10.084 8.170 1.642 1.00 0.00 N ATOM 805 CA TYR A 56 10.989 7.334 0.881 1.00 0.00 C ATOM 806 C TYR A 56 10.547 7.208 -0.549 1.00 0.00 C ATOM 807 O TYR A 56 11.378 7.150 -1.464 1.00 0.00 O ATOM 808 CB TYR A 56 11.088 5.964 1.524 1.00 0.00 C ATOM 809 CG TYR A 56 11.383 6.018 3.000 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.327 6.892 3.513 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.705 5.207 3.874 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.591 6.946 4.852 1.00 0.00 C ATOM 813 CE2 TYR A 56 10.961 5.241 5.220 1.00 0.00 C ATOM 814 CZ TYR A 56 11.909 6.113 5.710 1.00 0.00 C ATOM 815 OH TYR A 56 12.175 6.153 7.060 1.00 0.00 O ATOM 0 H TYR A 56 9.373 7.651 2.158 1.00 0.00 H new ATOM 0 HA TYR A 56 11.972 7.806 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.152 5.428 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.870 5.392 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.865 7.544 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.955 4.529 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.328 7.636 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.423 4.589 5.892 1.00 0.00 H new ATOM 0 HH TYR A 56 11.607 5.503 7.525 1.00 0.00 H new ATOM 825 N GLY A 57 9.257 7.129 -0.743 1.00 0.00 N ATOM 826 CA GLY A 57 8.728 7.103 -2.069 1.00 0.00 C ATOM 827 C GLY A 57 7.856 5.911 -2.357 1.00 0.00 C ATOM 828 O GLY A 57 7.801 4.939 -1.578 1.00 0.00 O ATOM 0 H GLY A 57 8.561 7.082 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.150 8.012 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.555 7.116 -2.779 1.00 0.00 H new ATOM 832 N ALA A 58 7.185 5.993 -3.478 1.00 0.00 N ATOM 833 CA ALA A 58 6.252 4.993 -3.951 1.00 0.00 C ATOM 834 C ALA A 58 6.939 3.665 -4.266 1.00 0.00 C ATOM 835 O ALA A 58 6.389 2.587 -4.015 1.00 0.00 O ATOM 836 CB ALA A 58 5.527 5.528 -5.172 1.00 0.00 C ATOM 0 H ALA A 58 7.275 6.787 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 58 5.535 4.790 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.822 4.779 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.987 6.436 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.251 5.753 -5.955 1.00 0.00 H new ATOM 842 N LYS A 59 8.143 3.739 -4.786 1.00 0.00 N ATOM 843 CA LYS A 59 8.883 2.540 -5.148 1.00 0.00 C ATOM 844 C LYS A 59 9.353 1.807 -3.890 1.00 0.00 C ATOM 845 O LYS A 59 9.408 0.558 -3.851 1.00 0.00 O ATOM 846 CB LYS A 59 10.085 2.881 -6.042 1.00 0.00 C ATOM 847 CG LYS A 59 10.824 1.658 -6.578 1.00 0.00 C ATOM 848 CD LYS A 59 9.982 0.889 -7.577 1.00 0.00 C ATOM 849 CE LYS A 59 10.654 -0.406 -7.995 1.00 0.00 C ATOM 850 NZ LYS A 59 9.932 -1.063 -9.102 1.00 0.00 N ATOM 0 H LYS A 59 8.635 4.613 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 59 8.215 1.888 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.741 3.483 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.784 3.496 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.754 1.973 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.094 1.004 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.008 0.669 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.804 1.508 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.680 -0.201 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.704 -1.082 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.420 -1.944 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.960 -1.281 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.906 -0.428 -9.925 1.00 0.00 H new ATOM 864 N TYR A 60 9.655 2.573 -2.856 1.00 0.00 N ATOM 865 CA TYR A 60 10.132 2.033 -1.605 1.00 0.00 C ATOM 866 C TYR A 60 9.054 1.199 -0.971 1.00 0.00 C ATOM 867 O TYR A 60 9.278 0.041 -0.587 1.00 0.00 O ATOM 868 CB TYR A 60 10.542 3.167 -0.638 1.00 0.00 C ATOM 869 CG TYR A 60 10.878 2.680 0.764 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.875 2.474 1.706 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.173 2.400 1.129 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.153 1.997 2.954 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.464 1.930 2.390 1.00 0.00 C ATOM 874 CZ TYR A 60 11.445 1.726 3.296 1.00 0.00 C ATOM 875 OH TYR A 60 11.724 1.241 4.550 1.00 0.00 O ATOM 0 H TYR A 60 9.574 3.590 -2.865 1.00 0.00 H new ATOM 0 HA TYR A 60 11.007 1.415 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.406 3.689 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.731 3.892 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.851 2.697 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.972 2.550 0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.356 1.835 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.487 1.722 2.668 1.00 0.00 H new ATOM 0 HH TYR A 60 12.689 1.098 4.638 1.00 0.00 H new ATOM 885 N ALA A 61 7.887 1.792 -0.865 1.00 0.00 N ATOM 886 CA ALA A 61 6.777 1.166 -0.215 1.00 0.00 C ATOM 887 C ALA A 61 6.322 -0.051 -0.959 1.00 0.00 C ATOM 888 O ALA A 61 5.894 -0.992 -0.352 1.00 0.00 O ATOM 889 CB ALA A 61 5.660 2.129 -0.052 1.00 0.00 C ATOM 0 H ALA A 61 7.688 2.723 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 61 7.107 0.845 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.824 1.636 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.993 2.974 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.341 2.486 -1.031 1.00 0.00 H new ATOM 895 N ALA A 62 6.447 -0.035 -2.277 1.00 0.00 N ATOM 896 CA ALA A 62 6.083 -1.185 -3.090 1.00 0.00 C ATOM 897 C ALA A 62 6.908 -2.401 -2.685 1.00 0.00 C ATOM 898 O ALA A 62 6.375 -3.503 -2.510 1.00 0.00 O ATOM 899 CB ALA A 62 6.278 -0.877 -4.556 1.00 0.00 C ATOM 0 H ALA A 62 6.798 0.763 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 62 5.030 -1.410 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.001 -1.748 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.650 -0.031 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.323 -0.630 -4.740 1.00 0.00 H new ATOM 905 N ALA A 63 8.199 -2.188 -2.495 1.00 0.00 N ATOM 906 CA ALA A 63 9.076 -3.251 -2.058 1.00 0.00 C ATOM 907 C ALA A 63 8.776 -3.624 -0.609 1.00 0.00 C ATOM 908 O ALA A 63 8.748 -4.800 -0.258 1.00 0.00 O ATOM 909 CB ALA A 63 10.524 -2.851 -2.228 1.00 0.00 C ATOM 0 H ALA A 63 8.659 -1.289 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 63 8.896 -4.128 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.168 -3.664 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.722 -2.640 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.727 -1.960 -1.634 1.00 0.00 H new ATOM 915 N TRP A 64 8.500 -2.612 0.210 1.00 0.00 N ATOM 916 CA TRP A 64 8.175 -2.807 1.621 1.00 0.00 C ATOM 917 C TRP A 64 6.909 -3.646 1.773 1.00 0.00 C ATOM 918 O TRP A 64 6.874 -4.603 2.561 1.00 0.00 O ATOM 919 CB TRP A 64 8.015 -1.446 2.328 1.00 0.00 C ATOM 920 CG TRP A 64 7.625 -1.551 3.773 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.462 -1.622 4.836 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.289 -1.598 4.307 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.735 -1.705 5.999 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.400 -1.697 5.700 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.017 -1.565 3.735 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.284 -1.766 6.534 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.916 -1.632 4.560 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.052 -1.732 5.941 1.00 0.00 C ATOM 0 H TRP A 64 8.495 -1.636 -0.085 1.00 0.00 H new ATOM 0 HA TRP A 64 8.997 -3.346 2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 64 8.954 -0.897 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.262 -0.861 1.801 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.540 -1.614 4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.129 -1.763 6.938 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.898 -1.488 2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.389 -1.843 7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.927 -1.606 4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.167 -1.784 6.557 1.00 0.00 H new