USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=18 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 51 SER OG : rot 180:sc= -0.105 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 168:sc= -0.111 (180deg=-0.223) USER MOD Single : A 1 LEU N :NH3+ -129:sc= 1.48 (180deg=-1.05) USER MOD Single : A 2 THR OG1 : rot 68:sc= 1.29 USER MOD Single : A 4 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.346 USER MOD Single : A 9 SER OG : rot 180:sc= 0 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+ 167:sc= -0.0217 (180deg=-0.212) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.893 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.922 USER MOD Single : A 33 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot -94:sc= -0.0928 USER MOD Single : A 48 THR OG1 : rot 83:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 2.15 (180deg=1.82) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0319 (180deg=-0.197) 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 5.878 -3.258 1.023 1.00 0.00 N ATOM 2 CA LEU A 1 4.578 -3.912 1.042 1.00 0.00 C ATOM 3 C LEU A 1 4.736 -5.358 0.661 1.00 0.00 C ATOM 4 O LEU A 1 4.289 -6.250 1.366 1.00 0.00 O ATOM 5 CB LEU A 1 3.618 -3.239 0.052 1.00 0.00 C ATOM 6 CG LEU A 1 3.125 -1.832 0.390 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.388 -1.260 -0.795 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.199 -1.862 1.589 1.00 0.00 C ATOM 0 H1 LEU A 1 6.026 -2.753 1.920 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.915 -2.581 0.234 1.00 0.00 H new ATOM 0 HA LEU A 1 4.167 -3.831 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.111 -3.198 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.746 -3.883 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 1 3.987 -1.210 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.036 -0.257 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.059 -1.214 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.536 -1.896 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.860 -0.850 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.338 -2.493 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.732 -2.264 2.450 1.00 0.00 H new ATOM 20 N THR A 2 5.432 -5.572 -0.424 1.00 0.00 N ATOM 21 CA THR A 2 5.668 -6.896 -0.958 1.00 0.00 C ATOM 22 C THR A 2 6.350 -7.780 0.080 1.00 0.00 C ATOM 23 O THR A 2 5.874 -8.882 0.361 1.00 0.00 O ATOM 24 CB THR A 2 6.550 -6.810 -2.232 1.00 0.00 C ATOM 25 OG1 THR A 2 5.914 -6.026 -3.251 1.00 0.00 O ATOM 26 CG2 THR A 2 6.917 -8.177 -2.765 1.00 0.00 C ATOM 0 H THR A 2 5.858 -4.825 -0.972 1.00 0.00 H new ATOM 0 HA THR A 2 4.705 -7.337 -1.217 1.00 0.00 H new ATOM 0 HB THR A 2 7.476 -6.313 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.872 -5.090 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.534 -8.066 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.472 -8.727 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.009 -8.725 -3.018 1.00 0.00 H new ATOM 34 N ALA A 3 7.406 -7.254 0.663 1.00 0.00 N ATOM 35 CA ALA A 3 8.233 -7.969 1.631 1.00 0.00 C ATOM 36 C ALA A 3 7.476 -8.341 2.905 1.00 0.00 C ATOM 37 O ALA A 3 7.570 -9.472 3.394 1.00 0.00 O ATOM 38 CB ALA A 3 9.447 -7.128 1.986 1.00 0.00 C ATOM 0 H ALA A 3 7.725 -6.303 0.480 1.00 0.00 H new ATOM 0 HA ALA A 3 8.539 -8.902 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.062 -7.664 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.030 -6.933 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.121 -6.182 2.418 1.00 0.00 H new ATOM 44 N ASN A 4 6.728 -7.405 3.427 1.00 0.00 N ATOM 45 CA ASN A 4 6.035 -7.604 4.696 1.00 0.00 C ATOM 46 C ASN A 4 4.745 -8.361 4.529 1.00 0.00 C ATOM 47 O ASN A 4 4.502 -9.349 5.225 1.00 0.00 O ATOM 48 CB ASN A 4 5.800 -6.270 5.424 1.00 0.00 C ATOM 49 CG ASN A 4 7.081 -5.668 5.971 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.462 -5.918 7.112 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.753 -4.882 5.175 1.00 0.00 N ATOM 0 H ASN A 4 6.576 -6.491 3.000 1.00 0.00 H new ATOM 0 HA ASN A 4 6.690 -8.217 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.335 -5.563 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.098 -6.426 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.622 -4.455 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.409 -4.695 4.233 1.00 0.00 H new ATOM 58 N LEU A 5 3.941 -7.951 3.574 1.00 0.00 N ATOM 59 CA LEU A 5 2.639 -8.563 3.375 1.00 0.00 C ATOM 60 C LEU A 5 2.794 -9.885 2.655 1.00 0.00 C ATOM 61 O LEU A 5 1.971 -10.799 2.817 1.00 0.00 O ATOM 62 CB LEU A 5 1.782 -7.649 2.525 1.00 0.00 C ATOM 63 CG LEU A 5 1.647 -6.212 3.008 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.034 -5.381 1.918 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.811 -6.132 4.277 1.00 0.00 C ATOM 0 H LEU A 5 4.162 -7.198 2.922 1.00 0.00 H new ATOM 0 HA LEU A 5 2.172 -8.726 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.194 -7.634 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.784 -8.082 2.455 1.00 0.00 H new ATOM 0 HG LEU A 5 2.638 -5.826 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.935 -4.350 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.672 -5.412 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.050 -5.777 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.733 -5.093 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.186 -6.527 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.286 -6.719 5.063 1.00 0.00 H new ATOM 77 N GLY A 6 3.849 -9.995 1.860 1.00 0.00 N ATOM 78 CA GLY A 6 4.106 -11.216 1.157 1.00 0.00 C ATOM 79 C GLY A 6 3.240 -11.294 -0.055 1.00 0.00 C ATOM 80 O GLY A 6 2.678 -12.350 -0.375 1.00 0.00 O ATOM 0 H GLY A 6 4.528 -9.252 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.156 -11.266 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.913 -12.069 1.808 1.00 0.00 H new ATOM 84 N ILE A 7 3.118 -10.183 -0.726 1.00 0.00 N ATOM 85 CA ILE A 7 2.246 -10.084 -1.886 1.00 0.00 C ATOM 86 C ILE A 7 3.066 -9.976 -3.146 1.00 0.00 C ATOM 87 O ILE A 7 4.296 -9.952 -3.078 1.00 0.00 O ATOM 88 CB ILE A 7 1.263 -8.884 -1.793 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.020 -7.553 -1.617 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.253 -9.101 -0.669 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.125 -6.331 -1.613 1.00 0.00 C ATOM 0 H ILE A 7 3.612 -9.321 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 7 1.647 -10.994 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 7 0.714 -8.824 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.578 -7.585 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.750 -7.453 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.426 -8.250 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.317 -10.009 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.780 -9.199 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.733 -5.435 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.586 -6.272 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.411 -6.406 -0.793 1.00 0.00 H new ATOM 103 N SER A 8 2.411 -9.929 -4.271 1.00 0.00 N ATOM 104 CA SER A 8 3.085 -9.827 -5.531 1.00 0.00 C ATOM 105 C SER A 8 3.520 -8.381 -5.783 1.00 0.00 C ATOM 106 O SER A 8 2.970 -7.435 -5.182 1.00 0.00 O ATOM 107 CB SER A 8 2.144 -10.288 -6.634 1.00 0.00 C ATOM 108 OG SER A 8 0.983 -9.474 -6.670 1.00 0.00 O ATOM 0 H SER A 8 1.394 -9.960 -4.339 1.00 0.00 H new ATOM 0 HA SER A 8 3.974 -10.457 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.654 -10.246 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.861 -11.328 -6.468 1.00 0.00 H new ATOM 0 HG SER A 8 0.389 -9.783 -7.386 1.00 0.00 H new ATOM 114 N SER A 9 4.480 -8.208 -6.670 1.00 0.00 N ATOM 115 CA SER A 9 4.955 -6.904 -7.045 1.00 0.00 C ATOM 116 C SER A 9 3.835 -6.127 -7.771 1.00 0.00 C ATOM 117 O SER A 9 3.732 -4.891 -7.662 1.00 0.00 O ATOM 118 CB SER A 9 6.163 -7.089 -7.951 1.00 0.00 C ATOM 119 OG SER A 9 7.106 -7.962 -7.337 1.00 0.00 O ATOM 0 H SER A 9 4.950 -8.976 -7.149 1.00 0.00 H new ATOM 0 HA SER A 9 5.241 -6.329 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.848 -7.498 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.627 -6.124 -8.153 1.00 0.00 H new ATOM 0 HG SER A 9 7.879 -8.076 -7.928 1.00 0.00 H new ATOM 125 N TYR A 10 2.992 -6.876 -8.468 1.00 0.00 N ATOM 126 CA TYR A 10 1.857 -6.348 -9.206 1.00 0.00 C ATOM 127 C TYR A 10 0.875 -5.709 -8.224 1.00 0.00 C ATOM 128 O TYR A 10 0.557 -4.517 -8.325 1.00 0.00 O ATOM 129 CB TYR A 10 1.179 -7.515 -9.926 1.00 0.00 C ATOM 130 CG TYR A 10 0.134 -7.174 -10.976 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.111 -6.637 -10.639 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.389 -7.433 -12.314 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.051 -6.374 -11.615 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.551 -7.178 -13.285 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.767 -6.651 -12.931 1.00 0.00 C ATOM 136 OH TYR A 10 -2.714 -6.403 -13.907 1.00 0.00 O ATOM 0 H TYR A 10 3.082 -7.890 -8.537 1.00 0.00 H new ATOM 0 HA TYR A 10 2.180 -5.597 -9.927 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.955 -8.113 -10.404 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.707 -8.147 -9.174 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.340 -6.426 -9.605 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.346 -7.844 -12.600 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.008 -5.951 -11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.333 -7.392 -14.321 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.354 -6.653 -14.783 1.00 0.00 H new ATOM 146 N ALA A 11 0.437 -6.504 -7.245 1.00 0.00 N ATOM 147 CA ALA A 11 -0.529 -6.058 -6.255 1.00 0.00 C ATOM 148 C ALA A 11 0.020 -4.924 -5.428 1.00 0.00 C ATOM 149 O ALA A 11 -0.694 -3.980 -5.140 1.00 0.00 O ATOM 150 CB ALA A 11 -0.971 -7.210 -5.365 1.00 0.00 C ATOM 0 H ALA A 11 0.744 -7.469 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.403 -5.689 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.694 -6.848 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.431 -7.986 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.105 -7.622 -4.847 1.00 0.00 H new ATOM 156 N ALA A 12 1.299 -4.999 -5.086 1.00 0.00 N ATOM 157 CA ALA A 12 1.952 -3.963 -4.292 1.00 0.00 C ATOM 158 C ALA A 12 1.893 -2.614 -4.983 1.00 0.00 C ATOM 159 O ALA A 12 1.617 -1.602 -4.353 1.00 0.00 O ATOM 160 CB ALA A 12 3.386 -4.335 -4.011 1.00 0.00 C ATOM 0 H ALA A 12 1.910 -5.772 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 12 1.413 -3.885 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.856 -3.550 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.417 -5.275 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.923 -4.449 -4.952 1.00 0.00 H new ATOM 166 N LYS A 13 2.112 -2.615 -6.291 1.00 0.00 N ATOM 167 CA LYS A 13 2.097 -1.387 -7.075 1.00 0.00 C ATOM 168 C LYS A 13 0.686 -0.810 -7.086 1.00 0.00 C ATOM 169 O LYS A 13 0.481 0.414 -7.064 1.00 0.00 O ATOM 170 CB LYS A 13 2.518 -1.678 -8.502 1.00 0.00 C ATOM 171 CG LYS A 13 2.736 -0.430 -9.349 1.00 0.00 C ATOM 172 CD LYS A 13 2.931 -0.765 -10.817 1.00 0.00 C ATOM 173 CE LYS A 13 1.669 -1.370 -11.413 1.00 0.00 C ATOM 174 NZ LYS A 13 1.802 -1.642 -12.847 1.00 0.00 N ATOM 0 H LYS A 13 2.303 -3.457 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 13 2.790 -0.674 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.439 -2.260 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.757 -2.298 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.880 0.236 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.609 0.110 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.200 0.137 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.760 -1.464 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.432 -2.297 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.832 -0.690 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.917 -2.053 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.001 -0.755 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.583 -2.311 -13.002 1.00 0.00 H new ATOM 188 N LYS A 14 -0.274 -1.703 -7.125 1.00 0.00 N ATOM 189 CA LYS A 14 -1.664 -1.334 -7.100 1.00 0.00 C ATOM 190 C LYS A 14 -2.052 -0.751 -5.758 1.00 0.00 C ATOM 191 O LYS A 14 -2.746 0.259 -5.700 1.00 0.00 O ATOM 192 CB LYS A 14 -2.538 -2.504 -7.459 1.00 0.00 C ATOM 193 CG LYS A 14 -2.326 -2.969 -8.883 1.00 0.00 C ATOM 194 CD LYS A 14 -3.427 -3.886 -9.326 1.00 0.00 C ATOM 195 CE LYS A 14 -4.757 -3.148 -9.480 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.722 -2.140 -10.566 1.00 0.00 N ATOM 0 H LYS A 14 -0.110 -2.708 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.818 -0.560 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.334 -3.329 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.584 -2.228 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.280 -2.106 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.368 -3.483 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.155 -4.347 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.541 -4.692 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.548 -3.870 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.008 -2.657 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.690 -1.826 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.152 -1.324 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.299 -2.562 -11.418 1.00 0.00 H new ATOM 210 N VAL A 15 -1.587 -1.389 -4.678 1.00 0.00 N ATOM 211 CA VAL A 15 -1.775 -0.871 -3.312 1.00 0.00 C ATOM 212 C VAL A 15 -1.249 0.560 -3.235 1.00 0.00 C ATOM 213 O VAL A 15 -1.919 1.447 -2.700 1.00 0.00 O ATOM 214 CB VAL A 15 -1.027 -1.725 -2.243 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.224 -1.153 -0.843 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.475 -3.170 -2.279 1.00 0.00 C ATOM 0 H VAL A 15 -1.075 -2.270 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.843 -0.914 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 15 0.034 -1.687 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.691 -1.770 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.836 -0.135 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.286 -1.145 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.934 -3.738 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.545 -3.224 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.269 -3.590 -3.263 1.00 0.00 H new ATOM 226 N ILE A 16 -0.057 0.766 -3.811 1.00 0.00 N ATOM 227 CA ILE A 16 0.593 2.076 -3.872 1.00 0.00 C ATOM 228 C ILE A 16 -0.325 3.115 -4.490 1.00 0.00 C ATOM 229 O ILE A 16 -0.482 4.206 -3.953 1.00 0.00 O ATOM 230 CB ILE A 16 1.917 2.017 -4.684 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.956 1.152 -3.976 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.477 3.407 -4.955 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.354 1.657 -2.608 1.00 0.00 C ATOM 0 H ILE A 16 0.485 0.021 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 16 0.821 2.363 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 16 1.683 1.560 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.563 0.140 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.847 1.089 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.402 3.322 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.752 3.987 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.679 3.909 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.095 0.986 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.779 2.657 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.476 1.693 -1.964 1.00 0.00 H new ATOM 245 N ASP A 17 -0.940 2.760 -5.597 1.00 0.00 N ATOM 246 CA ASP A 17 -1.839 3.665 -6.294 1.00 0.00 C ATOM 247 C ASP A 17 -2.992 4.052 -5.397 1.00 0.00 C ATOM 248 O ASP A 17 -3.281 5.223 -5.218 1.00 0.00 O ATOM 249 CB ASP A 17 -2.378 3.025 -7.574 1.00 0.00 C ATOM 250 CG ASP A 17 -3.349 3.922 -8.329 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.905 4.729 -9.184 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.569 3.803 -8.121 1.00 0.00 O ATOM 0 H ASP A 17 -0.835 1.847 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.274 4.558 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.542 2.774 -8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.878 2.090 -7.322 1.00 0.00 H new ATOM 257 N ILE A 18 -3.587 3.070 -4.776 1.00 0.00 N ATOM 258 CA ILE A 18 -4.758 3.282 -3.941 1.00 0.00 C ATOM 259 C ILE A 18 -4.415 4.126 -2.697 1.00 0.00 C ATOM 260 O ILE A 18 -5.077 5.121 -2.421 1.00 0.00 O ATOM 261 CB ILE A 18 -5.377 1.945 -3.487 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.638 1.034 -4.685 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.675 2.207 -2.737 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.008 -0.384 -4.310 1.00 0.00 C ATOM 0 H ILE A 18 -3.281 2.098 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.483 3.821 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.672 1.443 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.441 1.461 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.747 1.012 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.109 1.259 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.472 2.825 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.376 2.724 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.177 -0.967 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.197 -0.832 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.917 -0.376 -3.708 1.00 0.00 H new ATOM 276 N ILE A 19 -3.382 3.732 -1.964 1.00 0.00 N ATOM 277 CA ILE A 19 -2.973 4.478 -0.756 1.00 0.00 C ATOM 278 C ILE A 19 -2.542 5.916 -1.093 1.00 0.00 C ATOM 279 O ILE A 19 -2.644 6.821 -0.252 1.00 0.00 O ATOM 280 CB ILE A 19 -1.817 3.785 0.027 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.558 3.697 -0.848 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.246 2.404 0.523 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.651 3.121 -0.172 1.00 0.00 C ATOM 0 H ILE A 19 -2.811 2.912 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.859 4.496 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.580 4.389 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.786 3.092 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.313 4.697 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.422 1.941 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.106 2.506 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.516 1.779 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.485 3.102 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.914 3.736 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.433 2.106 0.160 1.00 0.00 H new ATOM 295 N ASN A 20 -2.060 6.117 -2.303 1.00 0.00 N ATOM 296 CA ASN A 20 -1.594 7.419 -2.734 1.00 0.00 C ATOM 297 C ASN A 20 -2.785 8.285 -3.170 1.00 0.00 C ATOM 298 O ASN A 20 -2.835 9.483 -2.894 1.00 0.00 O ATOM 299 CB ASN A 20 -0.602 7.244 -3.901 1.00 0.00 C ATOM 300 CG ASN A 20 0.292 8.445 -4.159 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.071 9.584 -3.910 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.479 8.185 -4.653 1.00 0.00 N ATOM 0 H ASN A 20 -1.981 5.387 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.089 7.918 -1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.027 6.377 -3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.165 7.025 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.131 8.946 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.750 7.221 -4.849 1.00 0.00 H new ATOM 309 N THR A 21 -3.749 7.665 -3.810 1.00 0.00 N ATOM 310 CA THR A 21 -4.910 8.369 -4.331 1.00 0.00 C ATOM 311 C THR A 21 -5.957 8.654 -3.247 1.00 0.00 C ATOM 312 O THR A 21 -6.481 9.775 -3.148 1.00 0.00 O ATOM 313 CB THR A 21 -5.568 7.563 -5.479 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.820 6.218 -5.050 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.677 7.500 -6.687 1.00 0.00 C ATOM 0 H THR A 21 -3.756 6.660 -3.987 1.00 0.00 H new ATOM 0 HA THR A 21 -4.549 9.325 -4.710 1.00 0.00 H new ATOM 0 HB THR A 21 -6.497 8.070 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.003 5.685 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.169 6.927 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.477 8.510 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.737 7.017 -6.421 1.00 0.00 H new ATOM 323 N GLY A 22 -6.237 7.650 -2.441 1.00 0.00 N ATOM 324 CA GLY A 22 -7.269 7.737 -1.445 1.00 0.00 C ATOM 325 C GLY A 22 -6.949 8.663 -0.292 1.00 0.00 C ATOM 326 O GLY A 22 -5.779 8.795 0.137 1.00 0.00 O ATOM 0 H GLY A 22 -5.752 6.753 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.189 8.075 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.462 6.739 -1.051 1.00 0.00 H new ATOM 330 N SER A 23 -7.985 9.268 0.221 1.00 0.00 N ATOM 331 CA SER A 23 -7.900 10.187 1.310 1.00 0.00 C ATOM 332 C SER A 23 -8.163 9.490 2.634 1.00 0.00 C ATOM 333 O SER A 23 -7.231 9.221 3.399 1.00 0.00 O ATOM 334 CB SER A 23 -8.912 11.293 1.089 1.00 0.00 C ATOM 335 OG SER A 23 -8.573 12.056 -0.069 1.00 0.00 O ATOM 0 H SER A 23 -8.936 9.128 -0.120 1.00 0.00 H new ATOM 0 HA SER A 23 -6.894 10.604 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.908 10.865 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.946 11.943 1.963 1.00 0.00 H new ATOM 0 HG SER A 23 -9.237 12.765 -0.199 1.00 0.00 H new ATOM 341 N ALA A 24 -9.419 9.169 2.881 1.00 0.00 N ATOM 342 CA ALA A 24 -9.819 8.531 4.116 1.00 0.00 C ATOM 343 C ALA A 24 -9.227 7.146 4.198 1.00 0.00 C ATOM 344 O ALA A 24 -9.381 6.342 3.275 1.00 0.00 O ATOM 345 CB ALA A 24 -11.329 8.474 4.240 1.00 0.00 C ATOM 0 H ALA A 24 -10.187 9.343 2.232 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.441 9.127 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.599 7.989 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.734 9.486 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.741 7.906 3.406 1.00 0.00 H new ATOM 351 N VAL A 25 -8.554 6.877 5.294 1.00 0.00 N ATOM 352 CA VAL A 25 -7.874 5.613 5.520 1.00 0.00 C ATOM 353 C VAL A 25 -8.832 4.442 5.394 1.00 0.00 C ATOM 354 O VAL A 25 -8.534 3.472 4.703 1.00 0.00 O ATOM 355 CB VAL A 25 -7.160 5.601 6.894 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.486 4.260 7.166 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.133 6.721 6.953 1.00 0.00 C ATOM 0 H VAL A 25 -8.460 7.536 6.067 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.114 5.505 4.747 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.915 5.756 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.996 4.290 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.235 3.469 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.745 4.062 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.634 6.707 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.395 6.580 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.632 7.680 6.816 1.00 0.00 H new ATOM 367 N ALA A 26 -9.997 4.568 5.999 1.00 0.00 N ATOM 368 CA ALA A 26 -11.022 3.530 5.926 1.00 0.00 C ATOM 369 C ALA A 26 -11.449 3.267 4.477 1.00 0.00 C ATOM 370 O ALA A 26 -11.691 2.121 4.085 1.00 0.00 O ATOM 371 CB ALA A 26 -12.217 3.910 6.767 1.00 0.00 C ATOM 0 H ALA A 26 -10.264 5.383 6.552 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.593 2.609 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.972 3.126 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.908 4.031 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.635 4.848 6.402 1.00 0.00 H new ATOM 377 N THR A 27 -11.473 4.317 3.684 1.00 0.00 N ATOM 378 CA THR A 27 -11.862 4.237 2.296 1.00 0.00 C ATOM 379 C THR A 27 -10.785 3.493 1.495 1.00 0.00 C ATOM 380 O THR A 27 -11.090 2.669 0.616 1.00 0.00 O ATOM 381 CB THR A 27 -12.090 5.669 1.761 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.072 6.293 2.601 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.586 5.677 0.320 1.00 0.00 C ATOM 0 H THR A 27 -11.221 5.257 3.989 1.00 0.00 H new ATOM 0 HA THR A 27 -12.791 3.676 2.191 1.00 0.00 H new ATOM 0 HB THR A 27 -11.141 6.205 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.355 7.141 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.731 6.706 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.850 5.191 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.532 5.140 0.258 1.00 0.00 H new ATOM 391 N ILE A 28 -9.541 3.737 1.857 1.00 0.00 N ATOM 392 CA ILE A 28 -8.410 3.103 1.233 1.00 0.00 C ATOM 393 C ILE A 28 -8.385 1.630 1.566 1.00 0.00 C ATOM 394 O ILE A 28 -8.324 0.813 0.662 1.00 0.00 O ATOM 395 CB ILE A 28 -7.110 3.769 1.694 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.132 5.231 1.308 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.892 3.080 1.092 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.031 6.022 1.921 1.00 0.00 C ATOM 0 H ILE A 28 -9.291 4.389 2.601 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.500 3.216 0.153 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.037 3.678 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.068 5.313 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.088 5.663 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.985 3.576 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.875 2.035 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.943 3.135 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.108 7.061 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.107 5.970 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.071 5.615 1.604 1.00 0.00 H new ATOM 410 N ILE A 29 -8.482 1.301 2.862 1.00 0.00 N ATOM 411 CA ILE A 29 -8.469 -0.096 3.335 1.00 0.00 C ATOM 412 C ILE A 29 -9.480 -0.936 2.553 1.00 0.00 C ATOM 413 O ILE A 29 -9.171 -2.049 2.107 1.00 0.00 O ATOM 414 CB ILE A 29 -8.838 -0.175 4.836 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.857 0.629 5.668 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.872 -1.630 5.322 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.308 0.817 7.084 1.00 0.00 C ATOM 0 H ILE A 29 -8.571 1.989 3.610 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.461 -0.481 3.182 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.835 0.249 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.889 0.127 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.712 1.605 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.134 -1.654 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.615 -2.187 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.891 -2.084 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.565 1.399 7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.262 1.345 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.426 -0.156 7.560 1.00 0.00 H new ATOM 429 N ALA A 30 -10.653 -0.362 2.338 1.00 0.00 N ATOM 430 CA ALA A 30 -11.735 -1.026 1.650 1.00 0.00 C ATOM 431 C ALA A 30 -11.360 -1.313 0.208 1.00 0.00 C ATOM 432 O ALA A 30 -11.574 -2.425 -0.298 1.00 0.00 O ATOM 433 CB ALA A 30 -12.984 -0.172 1.705 1.00 0.00 C ATOM 0 H ALA A 30 -10.877 0.586 2.641 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.930 -1.976 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.795 -0.680 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.267 -0.008 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.790 0.788 1.226 1.00 0.00 H new ATOM 439 N LEU A 31 -10.756 -0.330 -0.436 1.00 0.00 N ATOM 440 CA LEU A 31 -10.370 -0.462 -1.827 1.00 0.00 C ATOM 441 C LEU A 31 -9.210 -1.432 -1.980 1.00 0.00 C ATOM 442 O LEU A 31 -9.233 -2.301 -2.850 1.00 0.00 O ATOM 443 CB LEU A 31 -10.013 0.897 -2.432 1.00 0.00 C ATOM 444 CG LEU A 31 -11.153 1.911 -2.565 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.624 3.235 -3.089 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.240 1.376 -3.491 1.00 0.00 C ATOM 0 H LEU A 31 -10.522 0.570 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.226 -0.862 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.228 1.345 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.590 0.728 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.586 2.072 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.446 3.945 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.878 3.628 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.168 3.083 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.042 2.110 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.817 1.188 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.639 0.447 -3.085 1.00 0.00 H new ATOM 458 N VAL A 32 -8.224 -1.311 -1.106 1.00 0.00 N ATOM 459 CA VAL A 32 -7.045 -2.160 -1.168 1.00 0.00 C ATOM 460 C VAL A 32 -7.435 -3.614 -0.908 1.00 0.00 C ATOM 461 O VAL A 32 -6.978 -4.524 -1.603 1.00 0.00 O ATOM 462 CB VAL A 32 -5.929 -1.724 -0.170 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.659 -2.479 -0.429 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.643 -0.248 -0.259 1.00 0.00 C ATOM 0 H VAL A 32 -8.217 -0.632 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.633 -2.056 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.297 -1.950 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.894 -2.159 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.840 -3.547 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.319 -2.281 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.860 0.014 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.314 -0.001 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.548 0.313 -0.025 1.00 0.00 H new ATOM 474 N THR A 33 -8.319 -3.821 0.054 1.00 0.00 N ATOM 475 CA THR A 33 -8.806 -5.147 0.381 1.00 0.00 C ATOM 476 C THR A 33 -9.527 -5.777 -0.815 1.00 0.00 C ATOM 477 O THR A 33 -9.348 -6.962 -1.090 1.00 0.00 O ATOM 478 CB THR A 33 -9.739 -5.115 1.620 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.005 -4.634 2.764 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.307 -6.497 1.930 1.00 0.00 C ATOM 0 H THR A 33 -8.717 -3.077 0.627 1.00 0.00 H new ATOM 0 HA THR A 33 -7.940 -5.763 0.625 1.00 0.00 H new ATOM 0 HB THR A 33 -10.571 -4.447 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.774 -3.691 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.956 -6.436 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.882 -6.854 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.490 -7.189 2.132 1.00 0.00 H new ATOM 488 N ALA A 34 -10.255 -4.962 -1.560 1.00 0.00 N ATOM 489 CA ALA A 34 -11.024 -5.447 -2.696 1.00 0.00 C ATOM 490 C ALA A 34 -10.107 -5.864 -3.840 1.00 0.00 C ATOM 491 O ALA A 34 -10.423 -6.770 -4.603 1.00 0.00 O ATOM 492 CB ALA A 34 -12.013 -4.388 -3.161 1.00 0.00 C ATOM 0 H ALA A 34 -10.330 -3.958 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.583 -6.326 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.580 -4.768 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.697 -4.147 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.472 -3.490 -3.458 1.00 0.00 H new ATOM 498 N VAL A 35 -8.968 -5.218 -3.932 1.00 0.00 N ATOM 499 CA VAL A 35 -8.021 -5.492 -4.989 1.00 0.00 C ATOM 500 C VAL A 35 -7.088 -6.645 -4.621 1.00 0.00 C ATOM 501 O VAL A 35 -6.848 -7.533 -5.427 1.00 0.00 O ATOM 502 CB VAL A 35 -7.191 -4.231 -5.338 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.134 -4.532 -6.399 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.104 -3.113 -5.817 1.00 0.00 C ATOM 0 H VAL A 35 -8.672 -4.491 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.598 -5.784 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.677 -3.912 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.571 -3.625 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.455 -5.300 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.621 -4.886 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.507 -2.234 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.644 -3.440 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.816 -2.863 -5.031 1.00 0.00 H new ATOM 514 N VAL A 36 -6.595 -6.659 -3.398 1.00 0.00 N ATOM 515 CA VAL A 36 -5.630 -7.693 -3.023 1.00 0.00 C ATOM 516 C VAL A 36 -6.315 -8.969 -2.554 1.00 0.00 C ATOM 517 O VAL A 36 -5.713 -10.046 -2.588 1.00 0.00 O ATOM 518 CB VAL A 36 -4.594 -7.219 -1.948 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.831 -6.001 -2.436 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.246 -6.948 -0.588 1.00 0.00 C ATOM 0 H VAL A 36 -6.832 -5.993 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.075 -7.905 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.888 -8.037 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.117 -5.689 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.297 -6.250 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.530 -5.188 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.485 -6.622 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.000 -6.168 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.717 -7.860 -0.222 1.00 0.00 H new ATOM 551 N LEU A 40 -5.023 -7.684 4.353 1.00 0.00 N ATOM 552 CA LEU A 40 -3.716 -7.468 4.990 1.00 0.00 C ATOM 553 C LEU A 40 -3.392 -5.988 5.174 1.00 0.00 C ATOM 554 O LEU A 40 -2.831 -5.581 6.200 1.00 0.00 O ATOM 555 CB LEU A 40 -2.636 -8.107 4.122 1.00 0.00 C ATOM 556 CG LEU A 40 -2.802 -9.595 3.825 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.713 -10.071 2.881 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.789 -10.404 5.111 1.00 0.00 C ATOM 0 HA LEU A 40 -3.751 -7.922 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.597 -7.571 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.673 -7.961 4.611 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.767 -9.744 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.845 -11.134 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.773 -9.514 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.737 -9.907 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.909 -11.462 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.841 -10.252 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.608 -10.080 5.753 1.00 0.00 H new ATOM 570 N ILE A 41 -3.722 -5.191 4.182 1.00 0.00 N ATOM 571 CA ILE A 41 -3.482 -3.784 4.272 1.00 0.00 C ATOM 572 C ILE A 41 -4.556 -3.157 5.143 1.00 0.00 C ATOM 573 O ILE A 41 -5.674 -2.884 4.697 1.00 0.00 O ATOM 574 CB ILE A 41 -3.385 -3.054 2.892 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.268 -3.644 1.995 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.138 -1.564 3.099 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.586 -4.981 1.344 1.00 0.00 C ATOM 0 H ILE A 41 -4.155 -5.499 3.311 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.497 -3.658 4.722 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.337 -3.205 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.038 -2.923 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.366 -3.758 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.073 -1.068 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.960 -1.135 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.204 -1.422 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.738 -5.302 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.783 -5.724 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.466 -4.876 0.709 1.00 0.00 H new ATOM 589 N THR A 42 -4.223 -3.023 6.382 1.00 0.00 N ATOM 590 CA THR A 42 -5.073 -2.475 7.376 1.00 0.00 C ATOM 591 C THR A 42 -4.744 -1.003 7.578 1.00 0.00 C ATOM 592 O THR A 42 -3.887 -0.451 6.867 1.00 0.00 O ATOM 593 CB THR A 42 -4.815 -3.241 8.667 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.389 -3.361 8.838 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.440 -4.624 8.617 1.00 0.00 C ATOM 0 H THR A 42 -3.311 -3.305 6.742 1.00 0.00 H new ATOM 0 HA THR A 42 -6.119 -2.558 7.079 1.00 0.00 H new ATOM 0 HB THR A 42 -5.263 -2.703 9.502 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.085 -4.215 8.465 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.240 -5.148 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.517 -4.532 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.013 -5.187 7.787 1.00 0.00 H new ATOM 603 N ALA A 43 -5.383 -0.377 8.558 1.00 0.00 N ATOM 604 CA ALA A 43 -5.190 1.036 8.845 1.00 0.00 C ATOM 605 C ALA A 43 -3.734 1.337 9.184 1.00 0.00 C ATOM 606 O ALA A 43 -3.206 2.401 8.833 1.00 0.00 O ATOM 607 CB ALA A 43 -6.103 1.471 9.982 1.00 0.00 C ATOM 0 H ALA A 43 -6.051 -0.837 9.177 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.448 1.602 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.949 2.530 10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.142 1.304 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.873 0.891 10.876 1.00 0.00 H new ATOM 613 N GLY A 44 -3.097 0.395 9.850 1.00 0.00 N ATOM 614 CA GLY A 44 -1.712 0.525 10.203 1.00 0.00 C ATOM 615 C GLY A 44 -0.824 0.456 8.987 1.00 0.00 C ATOM 616 O GLY A 44 0.144 1.214 8.877 1.00 0.00 O ATOM 0 H GLY A 44 -3.530 -0.476 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.554 1.473 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.437 -0.266 10.901 1.00 0.00 H new ATOM 620 N ILE A 45 -1.178 -0.402 8.035 1.00 0.00 N ATOM 621 CA ILE A 45 -0.379 -0.562 6.846 1.00 0.00 C ATOM 622 C ILE A 45 -0.550 0.650 5.945 1.00 0.00 C ATOM 623 O ILE A 45 0.430 1.199 5.462 1.00 0.00 O ATOM 624 CB ILE A 45 -0.722 -1.873 6.080 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.519 -3.100 6.988 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.121 -2.011 4.812 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.895 -3.263 7.520 1.00 0.00 C ATOM 0 H ILE A 45 -2.010 -0.990 8.072 1.00 0.00 H new ATOM 0 HA ILE A 45 0.664 -0.640 7.152 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.771 -1.821 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.205 -3.029 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.790 -3.997 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.142 -2.936 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.071 -1.164 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.178 -2.031 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.947 -4.151 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.588 -3.369 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.166 -2.386 8.108 1.00 0.00 H new ATOM 639 N VAL A 46 -1.799 1.095 5.779 1.00 0.00 N ATOM 640 CA VAL A 46 -2.113 2.278 4.967 1.00 0.00 C ATOM 641 C VAL A 46 -1.337 3.502 5.480 1.00 0.00 C ATOM 642 O VAL A 46 -0.676 4.202 4.706 1.00 0.00 O ATOM 643 CB VAL A 46 -3.643 2.610 4.984 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.940 3.890 4.213 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.454 1.471 4.402 1.00 0.00 C ATOM 0 H VAL A 46 -2.616 0.651 6.199 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.818 2.047 3.943 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.928 2.753 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.010 4.093 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.400 4.721 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.622 3.773 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.513 1.729 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.147 1.295 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.287 0.568 4.989 1.00 0.00 H new ATOM 655 N ALA A 47 -1.399 3.721 6.793 1.00 0.00 N ATOM 656 CA ALA A 47 -0.740 4.861 7.430 1.00 0.00 C ATOM 657 C ALA A 47 0.777 4.789 7.273 1.00 0.00 C ATOM 658 O ALA A 47 1.425 5.791 6.928 1.00 0.00 O ATOM 659 CB ALA A 47 -1.121 4.941 8.900 1.00 0.00 C ATOM 0 H ALA A 47 -1.904 3.117 7.442 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.082 5.766 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.622 5.795 9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.201 5.060 8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.813 4.026 9.406 1.00 0.00 H new ATOM 665 N THR A 48 1.332 3.610 7.502 1.00 0.00 N ATOM 666 CA THR A 48 2.757 3.399 7.379 1.00 0.00 C ATOM 667 C THR A 48 3.209 3.587 5.928 1.00 0.00 C ATOM 668 O THR A 48 4.150 4.332 5.657 1.00 0.00 O ATOM 669 CB THR A 48 3.142 1.995 7.899 1.00 0.00 C ATOM 670 OG1 THR A 48 2.731 1.879 9.276 1.00 0.00 O ATOM 671 CG2 THR A 48 4.644 1.753 7.794 1.00 0.00 C ATOM 0 H THR A 48 0.807 2.780 7.777 1.00 0.00 H new ATOM 0 HA THR A 48 3.270 4.142 7.990 1.00 0.00 H new ATOM 0 HB THR A 48 2.639 1.248 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.782 1.636 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.879 0.757 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.953 1.831 6.752 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.175 2.498 8.387 1.00 0.00 H new ATOM 679 N ALA A 49 2.496 2.965 5.008 1.00 0.00 N ATOM 680 CA ALA A 49 2.812 3.040 3.598 1.00 0.00 C ATOM 681 C ALA A 49 2.740 4.481 3.089 1.00 0.00 C ATOM 682 O ALA A 49 3.629 4.918 2.363 1.00 0.00 O ATOM 683 CB ALA A 49 1.920 2.114 2.804 1.00 0.00 C ATOM 0 H ALA A 49 1.679 2.392 5.220 1.00 0.00 H new ATOM 0 HA ALA A 49 3.840 2.707 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.172 2.184 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.065 1.089 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.878 2.400 2.948 1.00 0.00 H new ATOM 689 N LYS A 50 1.707 5.231 3.510 1.00 0.00 N ATOM 690 CA LYS A 50 1.605 6.659 3.168 1.00 0.00 C ATOM 691 C LYS A 50 2.829 7.426 3.663 1.00 0.00 C ATOM 692 O LYS A 50 3.340 8.321 2.981 1.00 0.00 O ATOM 693 CB LYS A 50 0.349 7.326 3.763 1.00 0.00 C ATOM 694 CG LYS A 50 -0.962 7.139 3.009 1.00 0.00 C ATOM 695 CD LYS A 50 -2.066 7.933 3.717 1.00 0.00 C ATOM 696 CE LYS A 50 -3.404 7.915 2.980 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.367 8.628 1.673 1.00 0.00 N ATOM 0 H LYS A 50 0.940 4.877 4.081 1.00 0.00 H new ATOM 0 HA LYS A 50 1.540 6.700 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.213 6.947 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.542 8.396 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.855 7.480 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.225 6.082 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.208 7.527 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.740 8.966 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.705 6.881 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.166 8.371 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.338 8.787 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.887 9.543 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.850 8.052 0.978 1.00 0.00 H new ATOM 711 N SER A 51 3.313 7.061 4.820 1.00 0.00 N ATOM 712 CA SER A 51 4.417 7.752 5.405 1.00 0.00 C ATOM 713 C SER A 51 5.717 7.374 4.682 1.00 0.00 C ATOM 714 O SER A 51 6.568 8.236 4.436 1.00 0.00 O ATOM 715 CB SER A 51 4.481 7.468 6.913 1.00 0.00 C ATOM 716 OG SER A 51 5.388 8.339 7.575 1.00 0.00 O ATOM 0 H SER A 51 2.954 6.284 5.374 1.00 0.00 H new ATOM 0 HA SER A 51 4.281 8.827 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.487 7.580 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.785 6.434 7.076 1.00 0.00 H new ATOM 0 HG SER A 51 5.402 8.131 8.532 1.00 0.00 H new ATOM 722 N LEU A 52 5.844 6.103 4.299 1.00 0.00 N ATOM 723 CA LEU A 52 7.017 5.624 3.580 1.00 0.00 C ATOM 724 C LEU A 52 7.086 6.256 2.193 1.00 0.00 C ATOM 725 O LEU A 52 8.158 6.665 1.753 1.00 0.00 O ATOM 726 CB LEU A 52 6.994 4.101 3.440 1.00 0.00 C ATOM 727 CG LEU A 52 6.887 3.302 4.733 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.673 1.851 4.419 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.126 3.466 5.584 1.00 0.00 C ATOM 0 H LEU A 52 5.142 5.385 4.478 1.00 0.00 H new ATOM 0 HA LEU A 52 7.897 5.911 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.154 3.830 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.902 3.792 2.922 1.00 0.00 H new ATOM 0 HG LEU A 52 6.036 3.683 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.597 1.285 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.753 1.734 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.513 1.478 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.019 2.884 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.997 3.115 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.257 4.518 5.837 1.00 0.00 H new ATOM 741 N ILE A 53 5.938 6.369 1.512 1.00 0.00 N ATOM 742 CA ILE A 53 5.915 6.960 0.169 1.00 0.00 C ATOM 743 C ILE A 53 6.195 8.456 0.227 1.00 0.00 C ATOM 744 O ILE A 53 6.691 9.043 -0.740 1.00 0.00 O ATOM 745 CB ILE A 53 4.589 6.699 -0.633 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.391 7.413 0.004 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.316 5.210 -0.732 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.080 7.247 -0.749 1.00 0.00 C ATOM 0 H ILE A 53 5.029 6.065 1.861 1.00 0.00 H new ATOM 0 HA ILE A 53 6.709 6.450 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 53 4.726 7.106 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.261 7.040 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.618 8.476 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.394 5.045 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.144 4.722 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.213 4.792 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.289 7.785 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.186 7.648 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.824 6.189 -0.804 1.00 0.00 H new ATOM 760 N LYS A 54 5.897 9.056 1.368 1.00 0.00 N ATOM 761 CA LYS A 54 6.115 10.464 1.577 1.00 0.00 C ATOM 762 C LYS A 54 7.617 10.765 1.738 1.00 0.00 C ATOM 763 O LYS A 54 8.109 11.777 1.246 1.00 0.00 O ATOM 764 CB LYS A 54 5.313 10.921 2.805 1.00 0.00 C ATOM 765 CG LYS A 54 5.390 12.402 3.138 1.00 0.00 C ATOM 766 CD LYS A 54 4.882 13.282 2.008 1.00 0.00 C ATOM 767 CE LYS A 54 4.845 14.745 2.431 1.00 0.00 C ATOM 768 NZ LYS A 54 6.165 15.242 2.881 1.00 0.00 N ATOM 0 H LYS A 54 5.497 8.573 2.172 1.00 0.00 H new ATOM 0 HA LYS A 54 5.769 11.021 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.267 10.658 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.658 10.356 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.807 12.599 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.423 12.667 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.526 13.168 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.884 12.960 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.498 15.352 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.121 14.868 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.122 16.273 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.417 14.789 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.884 15.013 2.166 1.00 0.00 H new ATOM 782 N LYS A 55 8.339 9.874 2.397 1.00 0.00 N ATOM 783 CA LYS A 55 9.775 10.071 2.605 1.00 0.00 C ATOM 784 C LYS A 55 10.632 9.355 1.581 1.00 0.00 C ATOM 785 O LYS A 55 11.401 9.986 0.858 1.00 0.00 O ATOM 786 CB LYS A 55 10.220 9.706 4.040 1.00 0.00 C ATOM 787 CG LYS A 55 9.602 8.446 4.608 1.00 0.00 C ATOM 788 CD LYS A 55 10.021 8.205 6.051 1.00 0.00 C ATOM 789 CE LYS A 55 9.472 9.246 7.014 1.00 0.00 C ATOM 790 NZ LYS A 55 8.003 9.284 7.012 1.00 0.00 N ATOM 0 H LYS A 55 7.965 9.013 2.796 1.00 0.00 H new ATOM 0 HA LYS A 55 9.936 11.140 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.304 9.595 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.979 10.539 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.516 8.519 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.895 7.592 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.681 7.217 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.109 8.201 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.827 9.029 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.860 10.228 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.669 9.852 7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.668 9.710 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.631 8.316 7.094 1.00 0.00 H new ATOM 804 N TYR A 56 10.481 8.066 1.505 1.00 0.00 N ATOM 805 CA TYR A 56 11.332 7.231 0.684 1.00 0.00 C ATOM 806 C TYR A 56 10.801 7.134 -0.739 1.00 0.00 C ATOM 807 O TYR A 56 11.570 7.057 -1.708 1.00 0.00 O ATOM 808 CB TYR A 56 11.434 5.847 1.317 1.00 0.00 C ATOM 809 CG TYR A 56 11.769 5.882 2.797 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.778 6.699 3.290 1.00 0.00 C ATOM 811 CD2 TYR A 56 11.079 5.088 3.692 1.00 0.00 C ATOM 812 CE1 TYR A 56 13.092 6.713 4.628 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.380 5.095 5.034 1.00 0.00 C ATOM 814 CZ TYR A 56 12.394 5.907 5.502 1.00 0.00 C ATOM 815 OH TYR A 56 12.707 5.914 6.851 1.00 0.00 O ATOM 0 H TYR A 56 9.760 7.552 2.012 1.00 0.00 H new ATOM 0 HA TYR A 56 12.324 7.680 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.489 5.322 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.197 5.272 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.326 7.335 2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.287 4.449 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.882 7.353 4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.826 4.469 5.718 1.00 0.00 H new ATOM 0 HH TYR A 56 12.119 5.290 7.326 1.00 0.00 H new ATOM 825 N GLY A 57 9.505 7.115 -0.869 1.00 0.00 N ATOM 826 CA GLY A 57 8.909 7.095 -2.176 1.00 0.00 C ATOM 827 C GLY A 57 8.001 5.912 -2.385 1.00 0.00 C ATOM 828 O GLY A 57 8.031 4.937 -1.612 1.00 0.00 O ATOM 0 H GLY A 57 8.844 7.113 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.342 8.014 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.697 7.080 -2.929 1.00 0.00 H new ATOM 832 N ALA A 58 7.210 5.993 -3.427 1.00 0.00 N ATOM 833 CA ALA A 58 6.228 4.987 -3.782 1.00 0.00 C ATOM 834 C ALA A 58 6.872 3.646 -4.129 1.00 0.00 C ATOM 835 O ALA A 58 6.339 2.581 -3.812 1.00 0.00 O ATOM 836 CB ALA A 58 5.381 5.497 -4.934 1.00 0.00 C ATOM 0 H ALA A 58 7.229 6.782 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 58 5.594 4.809 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.641 4.743 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.872 6.413 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.020 5.702 -5.793 1.00 0.00 H new ATOM 842 N LYS A 59 8.027 3.699 -4.741 1.00 0.00 N ATOM 843 CA LYS A 59 8.737 2.499 -5.149 1.00 0.00 C ATOM 844 C LYS A 59 9.316 1.766 -3.933 1.00 0.00 C ATOM 845 O LYS A 59 9.392 0.521 -3.915 1.00 0.00 O ATOM 846 CB LYS A 59 9.822 2.843 -6.178 1.00 0.00 C ATOM 847 CG LYS A 59 10.596 1.651 -6.701 1.00 0.00 C ATOM 848 CD LYS A 59 11.551 2.049 -7.805 1.00 0.00 C ATOM 849 CE LYS A 59 12.349 0.854 -8.292 1.00 0.00 C ATOM 850 NZ LYS A 59 13.204 1.194 -9.443 1.00 0.00 N ATOM 0 H LYS A 59 8.506 4.569 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 59 8.030 1.821 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.356 3.355 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.523 3.545 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.153 1.192 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.900 0.900 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.992 2.480 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.230 2.821 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.969 0.476 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.666 0.052 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.732 0.350 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.611 1.530 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.873 1.942 -9.169 1.00 0.00 H new ATOM 864 N TYR A 60 9.664 2.524 -2.902 1.00 0.00 N ATOM 865 CA TYR A 60 10.201 1.954 -1.682 1.00 0.00 C ATOM 866 C TYR A 60 9.124 1.153 -1.004 1.00 0.00 C ATOM 867 O TYR A 60 9.333 0.000 -0.604 1.00 0.00 O ATOM 868 CB TYR A 60 10.699 3.062 -0.721 1.00 0.00 C ATOM 869 CG TYR A 60 11.086 2.546 0.663 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.119 2.364 1.646 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.392 2.212 0.967 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.428 1.861 2.878 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.725 1.713 2.216 1.00 0.00 C ATOM 874 CZ TYR A 60 11.734 1.534 3.167 1.00 0.00 C ATOM 875 OH TYR A 60 12.052 1.024 4.406 1.00 0.00 O ATOM 0 H TYR A 60 9.582 3.541 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 60 11.048 1.317 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.561 3.558 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.918 3.815 -0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.094 2.628 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.163 2.342 0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.655 1.721 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.751 1.465 2.447 1.00 0.00 H new ATOM 0 HH TYR A 60 13.014 0.844 4.449 1.00 0.00 H new ATOM 885 N ALA A 61 7.969 1.768 -0.881 1.00 0.00 N ATOM 886 CA ALA A 61 6.861 1.160 -0.209 1.00 0.00 C ATOM 887 C ALA A 61 6.354 -0.033 -0.964 1.00 0.00 C ATOM 888 O ALA A 61 5.913 -0.974 -0.363 1.00 0.00 O ATOM 889 CB ALA A 61 5.767 2.147 0.012 1.00 0.00 C ATOM 0 H ALA A 61 7.780 2.701 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 61 7.213 0.816 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.937 1.661 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.138 2.971 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.425 2.533 -0.949 1.00 0.00 H new ATOM 895 N ALA A 62 6.442 0.005 -2.288 1.00 0.00 N ATOM 896 CA ALA A 62 6.044 -1.130 -3.112 1.00 0.00 C ATOM 897 C ALA A 62 6.853 -2.365 -2.727 1.00 0.00 C ATOM 898 O ALA A 62 6.305 -3.468 -2.574 1.00 0.00 O ATOM 899 CB ALA A 62 6.230 -0.813 -4.583 1.00 0.00 C ATOM 0 H ALA A 62 6.785 0.809 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 62 4.987 -1.333 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.928 -1.672 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.618 0.049 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.279 -0.587 -4.777 1.00 0.00 H new ATOM 905 N ALA A 63 8.145 -2.160 -2.526 1.00 0.00 N ATOM 906 CA ALA A 63 9.039 -3.221 -2.103 1.00 0.00 C ATOM 907 C ALA A 63 8.704 -3.644 -0.673 1.00 0.00 C ATOM 908 O ALA A 63 8.568 -4.835 -0.378 1.00 0.00 O ATOM 909 CB ALA A 63 10.474 -2.743 -2.189 1.00 0.00 C ATOM 0 H ALA A 63 8.600 -1.256 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 63 8.914 -4.082 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.143 -3.542 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.704 -2.465 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.609 -1.877 -1.541 1.00 0.00 H new ATOM 915 N TRP A 64 8.527 -2.649 0.191 1.00 0.00 N ATOM 916 CA TRP A 64 8.202 -2.860 1.601 1.00 0.00 C ATOM 917 C TRP A 64 6.907 -3.665 1.757 1.00 0.00 C ATOM 918 O TRP A 64 6.856 -4.637 2.528 1.00 0.00 O ATOM 919 CB TRP A 64 8.086 -1.502 2.323 1.00 0.00 C ATOM 920 CG TRP A 64 7.701 -1.601 3.769 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.542 -1.715 4.821 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.370 -1.595 4.319 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.829 -1.768 5.989 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.496 -1.703 5.708 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.089 -1.505 3.768 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.396 -1.728 6.559 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.000 -1.528 4.614 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.157 -1.640 5.991 1.00 0.00 C ATOM 0 H TRP A 64 8.605 -1.666 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 64 9.007 -3.437 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.041 -0.982 2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.348 -0.890 1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.619 -1.758 4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.232 -1.844 6.923 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.954 -1.419 2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.517 -1.814 7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.006 -1.458 4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.282 -1.658 6.624 1.00 0.00 H new