USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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= 1.06 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -176:sc= 1.15 (180deg=-0.0137) USER MOD Single : A 1 LEU N :NH3+ -120:sc= 1.59 (180deg=-1.13) USER MOD Single : A 2 THR OG1 : rot 68:sc= 1.33 USER MOD Single : A 4 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0564 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 21 THR OG1 : rot -78:sc= 0.464 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -178:sc= -0.538 USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.34 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0.249 (180deg=-0.0981) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0165 (180deg=-0.163) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0445 (180deg=-0.241) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.075 -3.316 1.089 1.00 0.00 N ATOM 2 CA LEU A 1 4.823 -4.056 1.087 1.00 0.00 C ATOM 3 C LEU A 1 5.088 -5.484 0.689 1.00 0.00 C ATOM 4 O LEU A 1 4.730 -6.418 1.388 1.00 0.00 O ATOM 5 CB LEU A 1 3.830 -3.449 0.084 1.00 0.00 C ATOM 6 CG LEU A 1 3.219 -2.092 0.420 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.442 -1.585 -0.769 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.290 -2.206 1.607 1.00 0.00 C ATOM 0 H1 LEU A 1 6.254 -2.939 2.042 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.014 -2.529 0.411 1.00 0.00 H new ATOM 0 HA LEU A 1 4.396 -4.007 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.337 -3.359 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.014 -4.159 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 1 4.023 -1.399 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.004 -0.615 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.111 -1.482 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.648 -2.291 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.864 -1.228 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.488 -2.907 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.847 -2.566 2.472 1.00 0.00 H new ATOM 20 N THR A 2 5.783 -5.624 -0.400 1.00 0.00 N ATOM 21 CA THR A 2 6.114 -6.901 -0.968 1.00 0.00 C ATOM 22 C THR A 2 6.873 -7.768 0.032 1.00 0.00 C ATOM 23 O THR A 2 6.517 -8.937 0.237 1.00 0.00 O ATOM 24 CB THR A 2 6.941 -6.690 -2.255 1.00 0.00 C ATOM 25 OG1 THR A 2 6.173 -5.972 -3.222 1.00 0.00 O ATOM 26 CG2 THR A 2 7.437 -7.985 -2.832 1.00 0.00 C ATOM 0 H THR A 2 6.146 -4.834 -0.933 1.00 0.00 H new ATOM 0 HA THR A 2 5.192 -7.426 -1.218 1.00 0.00 H new ATOM 0 HB THR A 2 7.819 -6.103 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.030 -5.054 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.013 -7.784 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.071 -8.489 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.588 -8.623 -3.077 1.00 0.00 H new ATOM 34 N ALA A 3 7.857 -7.183 0.664 1.00 0.00 N ATOM 35 CA ALA A 3 8.698 -7.867 1.631 1.00 0.00 C ATOM 36 C ALA A 3 7.928 -8.292 2.883 1.00 0.00 C ATOM 37 O ALA A 3 8.044 -9.422 3.334 1.00 0.00 O ATOM 38 CB ALA A 3 9.871 -6.979 2.015 1.00 0.00 C ATOM 0 H ALA A 3 8.106 -6.204 0.524 1.00 0.00 H new ATOM 0 HA ALA A 3 9.062 -8.778 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.498 -7.498 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.459 -6.748 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.498 -6.053 2.454 1.00 0.00 H new ATOM 44 N ASN A 4 7.121 -7.402 3.407 1.00 0.00 N ATOM 45 CA ASN A 4 6.441 -7.640 4.690 1.00 0.00 C ATOM 46 C ASN A 4 5.163 -8.419 4.557 1.00 0.00 C ATOM 47 O ASN A 4 4.772 -9.152 5.474 1.00 0.00 O ATOM 48 CB ASN A 4 6.174 -6.330 5.431 1.00 0.00 C ATOM 49 CG ASN A 4 7.431 -5.709 5.984 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.823 -5.984 7.119 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.064 -4.882 5.214 1.00 0.00 N ATOM 0 H ASN A 4 6.909 -6.502 2.977 1.00 0.00 H new ATOM 0 HA ASN A 4 7.130 -8.252 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.693 -5.625 4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.475 -6.515 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.919 -4.433 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.707 -4.680 4.280 1.00 0.00 H new ATOM 58 N LEU A 5 4.485 -8.248 3.460 1.00 0.00 N ATOM 59 CA LEU A 5 3.237 -8.939 3.247 1.00 0.00 C ATOM 60 C LEU A 5 3.488 -10.229 2.500 1.00 0.00 C ATOM 61 O LEU A 5 2.730 -11.194 2.632 1.00 0.00 O ATOM 62 CB LEU A 5 2.318 -8.066 2.417 1.00 0.00 C ATOM 63 CG LEU A 5 2.078 -6.652 2.937 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.382 -5.845 1.885 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.271 -6.656 4.224 1.00 0.00 C ATOM 0 H LEU A 5 4.771 -7.637 2.695 1.00 0.00 H new ATOM 0 HA LEU A 5 2.779 -9.157 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.730 -7.995 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.354 -8.568 2.332 1.00 0.00 H new ATOM 0 HG LEU A 5 3.045 -6.202 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.210 -4.835 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.002 -5.802 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.426 -6.310 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.121 -5.631 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.303 -7.124 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.809 -7.216 4.989 1.00 0.00 H new ATOM 77 N GLY A 6 4.551 -10.255 1.711 1.00 0.00 N ATOM 78 CA GLY A 6 4.863 -11.448 0.969 1.00 0.00 C ATOM 79 C GLY A 6 3.989 -11.524 -0.240 1.00 0.00 C ATOM 80 O GLY A 6 3.435 -12.583 -0.569 1.00 0.00 O ATOM 0 H GLY A 6 5.196 -9.476 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.912 -11.441 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.714 -12.328 1.595 1.00 0.00 H new ATOM 84 N ILE A 7 3.847 -10.400 -0.890 1.00 0.00 N ATOM 85 CA ILE A 7 2.978 -10.273 -2.048 1.00 0.00 C ATOM 86 C ILE A 7 3.790 -10.018 -3.296 1.00 0.00 C ATOM 87 O ILE A 7 5.025 -9.972 -3.239 1.00 0.00 O ATOM 88 CB ILE A 7 1.919 -9.153 -1.883 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.587 -7.789 -1.632 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.930 -9.503 -0.773 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.618 -6.628 -1.593 1.00 0.00 C ATOM 0 H ILE A 7 4.330 -9.538 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 7 2.445 -11.220 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 7 1.360 -9.075 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.128 -7.829 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.324 -7.608 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.196 -8.703 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.421 -10.435 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.467 -9.621 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.166 -5.703 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.094 -6.559 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.895 -6.784 -0.792 1.00 0.00 H new ATOM 103 N SER A 8 3.117 -9.908 -4.408 1.00 0.00 N ATOM 104 CA SER A 8 3.752 -9.621 -5.656 1.00 0.00 C ATOM 105 C SER A 8 3.938 -8.108 -5.810 1.00 0.00 C ATOM 106 O SER A 8 3.219 -7.313 -5.169 1.00 0.00 O ATOM 107 CB SER A 8 2.885 -10.165 -6.796 1.00 0.00 C ATOM 108 OG SER A 8 1.560 -9.626 -6.730 1.00 0.00 O ATOM 0 H SER A 8 2.105 -10.017 -4.470 1.00 0.00 H new ATOM 0 HA SER A 8 4.732 -10.097 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.338 -9.913 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.843 -11.253 -6.740 1.00 0.00 H new ATOM 0 HG SER A 8 1.024 -9.985 -7.468 1.00 0.00 H new ATOM 114 N SER A 9 4.880 -7.708 -6.652 1.00 0.00 N ATOM 115 CA SER A 9 5.099 -6.314 -6.954 1.00 0.00 C ATOM 116 C SER A 9 3.867 -5.728 -7.655 1.00 0.00 C ATOM 117 O SER A 9 3.622 -4.517 -7.600 1.00 0.00 O ATOM 118 CB SER A 9 6.331 -6.179 -7.838 1.00 0.00 C ATOM 119 OG SER A 9 7.458 -6.769 -7.207 1.00 0.00 O ATOM 0 H SER A 9 5.509 -8.345 -7.141 1.00 0.00 H new ATOM 0 HA SER A 9 5.262 -5.761 -6.029 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.151 -6.660 -8.800 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.528 -5.126 -8.040 1.00 0.00 H new ATOM 0 HG SER A 9 8.243 -6.677 -7.787 1.00 0.00 H new ATOM 125 N TYR A 10 3.105 -6.601 -8.318 1.00 0.00 N ATOM 126 CA TYR A 10 1.868 -6.228 -8.971 1.00 0.00 C ATOM 127 C TYR A 10 0.921 -5.656 -7.924 1.00 0.00 C ATOM 128 O TYR A 10 0.563 -4.476 -7.976 1.00 0.00 O ATOM 129 CB TYR A 10 1.233 -7.472 -9.636 1.00 0.00 C ATOM 130 CG TYR A 10 -0.003 -7.196 -10.491 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.230 -6.866 -9.914 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.063 -7.268 -11.876 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.339 -6.618 -10.684 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.052 -7.021 -12.657 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.247 -6.696 -12.054 1.00 0.00 C ATOM 136 OH TYR A 10 -3.365 -6.443 -12.826 1.00 0.00 O ATOM 0 H TYR A 10 3.338 -7.590 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 10 2.061 -5.482 -9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.986 -7.954 -10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.963 -8.183 -8.855 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.309 -6.804 -8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.999 -7.521 -12.351 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.279 -6.363 -10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.986 -7.083 -13.733 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.136 -6.538 -13.774 1.00 0.00 H new ATOM 146 N ALA A 11 0.578 -6.491 -6.945 1.00 0.00 N ATOM 147 CA ALA A 11 -0.348 -6.123 -5.882 1.00 0.00 C ATOM 148 C ALA A 11 0.180 -4.966 -5.071 1.00 0.00 C ATOM 149 O ALA A 11 -0.577 -4.074 -4.710 1.00 0.00 O ATOM 150 CB ALA A 11 -0.635 -7.317 -4.987 1.00 0.00 C ATOM 0 H ALA A 11 0.936 -7.443 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.281 -5.805 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.328 -7.023 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.078 -8.118 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.295 -7.668 -4.540 1.00 0.00 H new ATOM 156 N ALA A 12 1.479 -4.965 -4.819 1.00 0.00 N ATOM 157 CA ALA A 12 2.118 -3.900 -4.066 1.00 0.00 C ATOM 158 C ALA A 12 1.904 -2.552 -4.735 1.00 0.00 C ATOM 159 O ALA A 12 1.478 -1.602 -4.096 1.00 0.00 O ATOM 160 CB ALA A 12 3.596 -4.175 -3.912 1.00 0.00 C ATOM 0 H ALA A 12 2.116 -5.698 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 12 1.660 -3.867 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.059 -3.367 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.738 -5.117 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.059 -4.239 -4.897 1.00 0.00 H new ATOM 166 N LYS A 13 2.148 -2.499 -6.035 1.00 0.00 N ATOM 167 CA LYS A 13 2.007 -1.267 -6.803 1.00 0.00 C ATOM 168 C LYS A 13 0.552 -0.816 -6.812 1.00 0.00 C ATOM 169 O LYS A 13 0.253 0.387 -6.762 1.00 0.00 O ATOM 170 CB LYS A 13 2.484 -1.489 -8.223 1.00 0.00 C ATOM 171 CG LYS A 13 2.601 -0.216 -9.050 1.00 0.00 C ATOM 172 CD LYS A 13 3.045 -0.502 -10.478 1.00 0.00 C ATOM 173 CE LYS A 13 2.013 -1.326 -11.238 1.00 0.00 C ATOM 174 NZ LYS A 13 2.450 -1.633 -12.603 1.00 0.00 N ATOM 0 H LYS A 13 2.448 -3.303 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 13 2.614 -0.491 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.456 -1.981 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.796 -2.171 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.639 0.296 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.314 0.459 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.215 0.439 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.996 -1.035 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.824 -2.255 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.070 -0.781 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.718 -2.195 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.605 -0.747 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.337 -2.175 -12.570 1.00 0.00 H new ATOM 188 N LYS A 14 -0.340 -1.788 -6.874 1.00 0.00 N ATOM 189 CA LYS A 14 -1.774 -1.535 -6.815 1.00 0.00 C ATOM 190 C LYS A 14 -2.124 -0.845 -5.515 1.00 0.00 C ATOM 191 O LYS A 14 -2.784 0.200 -5.525 1.00 0.00 O ATOM 192 CB LYS A 14 -2.562 -2.835 -6.967 1.00 0.00 C ATOM 193 CG LYS A 14 -2.329 -3.514 -8.302 1.00 0.00 C ATOM 194 CD LYS A 14 -2.885 -2.691 -9.439 1.00 0.00 C ATOM 195 CE LYS A 14 -2.279 -3.075 -10.763 1.00 0.00 C ATOM 196 NZ LYS A 14 -2.747 -2.194 -11.847 1.00 0.00 N ATOM 0 H LYS A 14 -0.095 -2.774 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.047 -0.881 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.284 -3.518 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.625 -2.625 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.261 -3.670 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.798 -4.498 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.966 -2.820 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.697 -1.635 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.192 -3.024 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.536 -4.108 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.311 -2.486 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.782 -2.262 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.480 -1.211 -11.636 1.00 0.00 H new ATOM 210 N VAL A 15 -1.649 -1.419 -4.406 1.00 0.00 N ATOM 211 CA VAL A 15 -1.817 -0.827 -3.072 1.00 0.00 C ATOM 212 C VAL A 15 -1.277 0.600 -3.074 1.00 0.00 C ATOM 213 O VAL A 15 -1.959 1.524 -2.635 1.00 0.00 O ATOM 214 CB VAL A 15 -1.064 -1.633 -1.969 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.245 -0.995 -0.594 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.511 -3.079 -1.938 1.00 0.00 C ATOM 0 H VAL A 15 -1.139 -2.303 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.883 -0.844 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.004 -1.609 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.708 -1.581 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.851 0.021 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.305 -0.970 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.966 -3.612 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.580 -3.125 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.309 -3.543 -2.903 1.00 0.00 H new ATOM 226 N ILE A 16 -0.071 0.758 -3.620 1.00 0.00 N ATOM 227 CA ILE A 16 0.615 2.050 -3.705 1.00 0.00 C ATOM 228 C ILE A 16 -0.243 3.090 -4.402 1.00 0.00 C ATOM 229 O ILE A 16 -0.379 4.213 -3.930 1.00 0.00 O ATOM 230 CB ILE A 16 1.974 1.930 -4.449 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.943 1.043 -3.674 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.597 3.296 -4.711 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.271 1.547 -2.291 1.00 0.00 C ATOM 0 H ILE A 16 0.463 -0.014 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 16 0.800 2.369 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 16 1.773 1.466 -5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.517 0.043 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.868 0.950 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.546 3.169 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.922 3.892 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.770 3.805 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.965 0.859 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.728 2.534 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.357 1.613 -1.701 1.00 0.00 H new ATOM 245 N ASP A 17 -0.837 2.706 -5.503 1.00 0.00 N ATOM 246 CA ASP A 17 -1.670 3.619 -6.266 1.00 0.00 C ATOM 247 C ASP A 17 -2.898 4.019 -5.468 1.00 0.00 C ATOM 248 O ASP A 17 -3.260 5.183 -5.418 1.00 0.00 O ATOM 249 CB ASP A 17 -2.082 3.001 -7.601 1.00 0.00 C ATOM 250 CG ASP A 17 -2.985 3.907 -8.417 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.469 4.794 -9.130 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.221 3.728 -8.380 1.00 0.00 O ATOM 0 H ASP A 17 -0.763 1.768 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.083 4.514 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.188 2.770 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.594 2.057 -7.416 1.00 0.00 H new ATOM 257 N ILE A 18 -3.485 3.066 -4.788 1.00 0.00 N ATOM 258 CA ILE A 18 -4.702 3.309 -4.027 1.00 0.00 C ATOM 259 C ILE A 18 -4.418 4.174 -2.791 1.00 0.00 C ATOM 260 O ILE A 18 -5.111 5.149 -2.548 1.00 0.00 O ATOM 261 CB ILE A 18 -5.367 1.992 -3.584 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.629 1.089 -4.789 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.674 2.289 -2.855 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.068 -0.311 -4.427 1.00 0.00 C ATOM 0 H ILE A 18 -3.143 2.106 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.386 3.841 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.691 1.472 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.395 1.548 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.721 1.030 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.138 1.353 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.470 2.901 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.349 2.825 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.233 -0.887 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.294 -0.792 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.994 -0.265 -3.854 1.00 0.00 H new ATOM 276 N ILE A 19 -3.399 3.817 -2.025 1.00 0.00 N ATOM 277 CA ILE A 19 -3.038 4.593 -0.825 1.00 0.00 C ATOM 278 C ILE A 19 -2.626 6.027 -1.196 1.00 0.00 C ATOM 279 O ILE A 19 -2.845 6.957 -0.431 1.00 0.00 O ATOM 280 CB ILE A 19 -1.892 3.931 0.013 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.606 3.846 -0.818 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.316 2.553 0.513 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.589 3.308 -0.086 1.00 0.00 C ATOM 0 H ILE A 19 -2.806 3.006 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.935 4.612 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.693 4.554 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.794 3.216 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.366 4.842 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.506 2.111 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.201 2.651 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.545 1.912 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.448 3.287 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.811 3.948 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.377 2.298 0.264 1.00 0.00 H new ATOM 295 N ASN A 20 -2.048 6.187 -2.378 1.00 0.00 N ATOM 296 CA ASN A 20 -1.575 7.483 -2.841 1.00 0.00 C ATOM 297 C ASN A 20 -2.761 8.330 -3.330 1.00 0.00 C ATOM 298 O ASN A 20 -2.786 9.554 -3.148 1.00 0.00 O ATOM 299 CB ASN A 20 -0.547 7.273 -3.973 1.00 0.00 C ATOM 300 CG ASN A 20 0.339 8.477 -4.276 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.049 9.631 -4.117 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.554 8.202 -4.701 1.00 0.00 N ATOM 0 H ASN A 20 -1.894 5.426 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.093 8.015 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.091 6.429 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.082 6.998 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.205 8.959 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.844 7.232 -4.822 1.00 0.00 H new ATOM 309 N THR A 21 -3.746 7.675 -3.919 1.00 0.00 N ATOM 310 CA THR A 21 -4.914 8.363 -4.436 1.00 0.00 C ATOM 311 C THR A 21 -5.937 8.653 -3.333 1.00 0.00 C ATOM 312 O THR A 21 -6.405 9.787 -3.186 1.00 0.00 O ATOM 313 CB THR A 21 -5.597 7.556 -5.578 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.864 6.214 -5.145 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.721 7.492 -6.804 1.00 0.00 C ATOM 0 H THR A 21 -3.759 6.664 -4.051 1.00 0.00 H new ATOM 0 HA THR A 21 -4.558 9.311 -4.840 1.00 0.00 H new ATOM 0 HB THR A 21 -6.527 8.068 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.037 5.689 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.227 6.922 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.524 8.502 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.778 7.006 -6.553 1.00 0.00 H new ATOM 323 N GLY A 22 -6.246 7.635 -2.555 1.00 0.00 N ATOM 324 CA GLY A 22 -7.258 7.728 -1.542 1.00 0.00 C ATOM 325 C GLY A 22 -6.895 8.642 -0.394 1.00 0.00 C ATOM 326 O GLY A 22 -5.717 8.744 0.008 1.00 0.00 O ATOM 0 H GLY A 22 -5.797 6.721 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.182 8.083 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.458 6.731 -1.150 1.00 0.00 H new ATOM 330 N SER A 23 -7.894 9.282 0.134 1.00 0.00 N ATOM 331 CA SER A 23 -7.750 10.216 1.205 1.00 0.00 C ATOM 332 C SER A 23 -7.969 9.557 2.568 1.00 0.00 C ATOM 333 O SER A 23 -7.006 9.279 3.292 1.00 0.00 O ATOM 334 CB SER A 23 -8.727 11.359 0.999 1.00 0.00 C ATOM 335 OG SER A 23 -8.402 12.113 -0.163 1.00 0.00 O ATOM 0 H SER A 23 -8.858 9.164 -0.178 1.00 0.00 H new ATOM 0 HA SER A 23 -6.729 10.597 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.739 10.964 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.717 12.011 1.873 1.00 0.00 H new ATOM 0 HG SER A 23 -9.049 12.841 -0.272 1.00 0.00 H new ATOM 341 N ALA A 24 -9.227 9.297 2.907 1.00 0.00 N ATOM 342 CA ALA A 24 -9.567 8.693 4.186 1.00 0.00 C ATOM 343 C ALA A 24 -9.065 7.270 4.255 1.00 0.00 C ATOM 344 O ALA A 24 -9.316 6.481 3.345 1.00 0.00 O ATOM 345 CB ALA A 24 -11.063 8.732 4.428 1.00 0.00 C ATOM 0 H ALA A 24 -10.029 9.497 2.310 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.079 9.275 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.288 8.274 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.404 9.767 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.574 8.183 3.637 1.00 0.00 H new ATOM 351 N VAL A 25 -8.381 6.949 5.337 1.00 0.00 N ATOM 352 CA VAL A 25 -7.778 5.636 5.546 1.00 0.00 C ATOM 353 C VAL A 25 -8.811 4.527 5.425 1.00 0.00 C ATOM 354 O VAL A 25 -8.593 3.561 4.706 1.00 0.00 O ATOM 355 CB VAL A 25 -7.041 5.543 6.914 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.414 4.172 7.109 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.976 6.624 7.025 1.00 0.00 C ATOM 0 H VAL A 25 -8.224 7.598 6.108 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.035 5.504 4.759 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.781 5.696 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.907 4.138 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.192 3.409 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.693 3.985 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.473 6.541 7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.248 6.501 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.444 7.605 6.943 1.00 0.00 H new ATOM 367 N ALA A 26 -9.947 4.703 6.079 1.00 0.00 N ATOM 368 CA ALA A 26 -11.034 3.727 6.031 1.00 0.00 C ATOM 369 C ALA A 26 -11.513 3.503 4.596 1.00 0.00 C ATOM 370 O ALA A 26 -11.831 2.373 4.196 1.00 0.00 O ATOM 371 CB ALA A 26 -12.184 4.167 6.921 1.00 0.00 C ATOM 0 H ALA A 26 -10.146 5.520 6.656 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.652 2.777 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.984 3.429 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.834 4.257 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.560 5.132 6.580 1.00 0.00 H new ATOM 377 N THR A 27 -11.501 4.563 3.816 1.00 0.00 N ATOM 378 CA THR A 27 -11.923 4.504 2.438 1.00 0.00 C ATOM 379 C THR A 27 -10.887 3.725 1.618 1.00 0.00 C ATOM 380 O THR A 27 -11.234 2.884 0.785 1.00 0.00 O ATOM 381 CB THR A 27 -12.110 5.937 1.894 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.044 6.618 2.748 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.642 5.939 0.466 1.00 0.00 C ATOM 0 H THR A 27 -11.198 5.488 4.122 1.00 0.00 H new ATOM 0 HA THR A 27 -12.878 3.984 2.361 1.00 0.00 H new ATOM 0 HB THR A 27 -11.141 6.437 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.202 7.522 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.759 6.967 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.940 5.417 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.608 5.435 0.437 1.00 0.00 H new ATOM 391 N ILE A 28 -9.624 3.961 1.922 1.00 0.00 N ATOM 392 CA ILE A 28 -8.530 3.297 1.260 1.00 0.00 C ATOM 393 C ILE A 28 -8.557 1.814 1.565 1.00 0.00 C ATOM 394 O ILE A 28 -8.470 1.009 0.655 1.00 0.00 O ATOM 395 CB ILE A 28 -7.185 3.900 1.703 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.159 5.379 1.377 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.019 3.196 1.026 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.006 6.108 1.989 1.00 0.00 C ATOM 0 H ILE A 28 -9.333 4.624 2.640 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.640 3.441 0.185 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.083 3.762 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.123 5.503 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.088 5.834 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.082 3.643 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.030 2.138 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.108 3.301 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.053 7.161 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.052 6.016 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.071 5.679 1.627 1.00 0.00 H new ATOM 410 N ILE A 29 -8.723 1.465 2.841 1.00 0.00 N ATOM 411 CA ILE A 29 -8.764 0.063 3.272 1.00 0.00 C ATOM 412 C ILE A 29 -9.793 -0.721 2.466 1.00 0.00 C ATOM 413 O ILE A 29 -9.491 -1.802 1.953 1.00 0.00 O ATOM 414 CB ILE A 29 -9.115 -0.058 4.771 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.093 0.676 5.613 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.188 -1.525 5.200 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.509 0.821 7.042 1.00 0.00 C ATOM 0 H ILE A 29 -8.832 2.137 3.600 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.769 -0.350 3.104 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.094 0.395 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.144 0.142 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.923 1.665 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.437 -1.582 6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.956 -2.036 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.224 -2.003 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.735 1.355 7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.443 1.380 7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.652 -0.166 7.481 1.00 0.00 H new ATOM 429 N ALA A 30 -10.973 -0.149 2.309 1.00 0.00 N ATOM 430 CA ALA A 30 -12.049 -0.802 1.588 1.00 0.00 C ATOM 431 C ALA A 30 -11.684 -0.991 0.122 1.00 0.00 C ATOM 432 O ALA A 30 -12.013 -2.016 -0.489 1.00 0.00 O ATOM 433 CB ALA A 30 -13.330 -0.003 1.714 1.00 0.00 C ATOM 0 H ALA A 30 -11.211 0.773 2.674 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.206 -1.786 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.128 -0.506 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.606 0.079 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.179 0.994 1.300 1.00 0.00 H new ATOM 439 N LEU A 31 -10.986 -0.027 -0.432 1.00 0.00 N ATOM 440 CA LEU A 31 -10.582 -0.091 -1.820 1.00 0.00 C ATOM 441 C LEU A 31 -9.468 -1.118 -2.011 1.00 0.00 C ATOM 442 O LEU A 31 -9.551 -1.983 -2.884 1.00 0.00 O ATOM 443 CB LEU A 31 -10.138 1.288 -2.314 1.00 0.00 C ATOM 444 CG LEU A 31 -11.214 2.382 -2.329 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.602 3.720 -2.691 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.325 2.035 -3.312 1.00 0.00 C ATOM 0 H LEU A 31 -10.684 0.815 0.059 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.440 -0.407 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.313 1.627 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.746 1.180 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.644 2.448 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.378 4.485 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.840 3.982 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.147 3.656 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.076 2.825 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.907 1.940 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.787 1.092 -3.020 1.00 0.00 H new ATOM 458 N VAL A 32 -8.462 -1.062 -1.154 1.00 0.00 N ATOM 459 CA VAL A 32 -7.321 -1.952 -1.277 1.00 0.00 C ATOM 460 C VAL A 32 -7.737 -3.394 -1.003 1.00 0.00 C ATOM 461 O VAL A 32 -7.319 -4.307 -1.705 1.00 0.00 O ATOM 462 CB VAL A 32 -6.139 -1.578 -0.343 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.904 -2.333 -0.735 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.845 -0.105 -0.354 1.00 0.00 C ATOM 0 H VAL A 32 -8.413 -0.412 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.969 -1.844 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.439 -1.852 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.084 -2.060 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.092 -3.404 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.637 -2.085 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.010 0.104 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.586 0.207 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.725 0.444 -0.019 1.00 0.00 H new ATOM 474 N THR A 33 -8.595 -3.587 -0.018 1.00 0.00 N ATOM 475 CA THR A 33 -9.068 -4.915 0.326 1.00 0.00 C ATOM 476 C THR A 33 -9.938 -5.489 -0.810 1.00 0.00 C ATOM 477 O THR A 33 -9.957 -6.688 -1.034 1.00 0.00 O ATOM 478 CB THR A 33 -9.833 -4.909 1.676 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.992 -4.311 2.682 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.193 -6.323 2.122 1.00 0.00 C ATOM 0 H THR A 33 -8.979 -2.839 0.559 1.00 0.00 H new ATOM 0 HA THR A 33 -8.201 -5.563 0.449 1.00 0.00 H new ATOM 0 HB THR A 33 -10.755 -4.343 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.144 -3.343 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.728 -6.280 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.827 -6.792 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.282 -6.909 2.245 1.00 0.00 H new ATOM 488 N ALA A 34 -10.604 -4.616 -1.555 1.00 0.00 N ATOM 489 CA ALA A 34 -11.398 -5.055 -2.694 1.00 0.00 C ATOM 490 C ALA A 34 -10.494 -5.437 -3.869 1.00 0.00 C ATOM 491 O ALA A 34 -10.869 -6.238 -4.723 1.00 0.00 O ATOM 492 CB ALA A 34 -12.385 -3.973 -3.111 1.00 0.00 C ATOM 0 H ALA A 34 -10.610 -3.609 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.963 -5.938 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.968 -4.321 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.054 -3.751 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.840 -3.071 -3.389 1.00 0.00 H new ATOM 498 N VAL A 35 -9.301 -4.869 -3.903 1.00 0.00 N ATOM 499 CA VAL A 35 -8.365 -5.135 -4.972 1.00 0.00 C ATOM 500 C VAL A 35 -7.454 -6.319 -4.647 1.00 0.00 C ATOM 501 O VAL A 35 -7.352 -7.262 -5.439 1.00 0.00 O ATOM 502 CB VAL A 35 -7.524 -3.872 -5.335 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.447 -4.187 -6.377 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.440 -2.777 -5.857 1.00 0.00 C ATOM 0 H VAL A 35 -8.960 -4.217 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.958 -5.401 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.022 -3.534 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.883 -3.282 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.771 -4.947 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.919 -4.557 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.848 -1.897 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.960 -3.131 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.169 -2.516 -5.090 1.00 0.00 H new ATOM 514 N VAL A 36 -6.815 -6.295 -3.495 1.00 0.00 N ATOM 515 CA VAL A 36 -5.855 -7.354 -3.164 1.00 0.00 C ATOM 516 C VAL A 36 -6.501 -8.511 -2.418 1.00 0.00 C ATOM 517 O VAL A 36 -6.070 -9.657 -2.555 1.00 0.00 O ATOM 518 CB VAL A 36 -4.610 -6.834 -2.362 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.899 -5.728 -3.124 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.969 -6.379 -0.934 1.00 0.00 C ATOM 0 H VAL A 36 -6.931 -5.576 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.500 -7.717 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.929 -7.678 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.040 -5.384 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.561 -6.109 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.586 -4.897 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.070 -6.030 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.696 -5.569 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.395 -7.216 -0.382 1.00 0.00 H new ATOM 530 N GLY A 37 -7.558 -8.224 -1.685 1.00 0.00 N ATOM 531 CA GLY A 37 -8.217 -9.234 -0.888 1.00 0.00 C ATOM 532 C GLY A 37 -7.386 -9.684 0.314 1.00 0.00 C ATOM 533 O GLY A 37 -6.236 -9.254 0.503 1.00 0.00 O ATOM 0 H GLY A 37 -7.978 -7.297 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.173 -8.845 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.436 -10.098 -1.515 1.00 0.00 H new ATOM 537 N GLY A 38 -7.994 -10.468 1.163 1.00 0.00 N ATOM 538 CA GLY A 38 -7.294 -11.091 2.259 1.00 0.00 C ATOM 539 C GLY A 38 -7.116 -10.217 3.468 1.00 0.00 C ATOM 540 O GLY A 38 -6.380 -10.570 4.378 1.00 0.00 O ATOM 0 H GLY A 38 -8.988 -10.694 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.835 -11.990 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.312 -11.410 1.910 1.00 0.00 H new ATOM 544 N GLY A 39 -7.716 -9.050 3.442 1.00 0.00 N ATOM 545 CA GLY A 39 -7.691 -8.106 4.583 1.00 0.00 C ATOM 546 C GLY A 39 -6.279 -7.690 5.003 1.00 0.00 C ATOM 547 O GLY A 39 -6.066 -7.177 6.110 1.00 0.00 O ATOM 0 H GLY A 39 -8.242 -8.709 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.260 -7.215 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.194 -8.565 5.434 1.00 0.00 H new ATOM 551 N LEU A 40 -5.332 -7.969 4.127 1.00 0.00 N ATOM 552 CA LEU A 40 -3.905 -7.683 4.317 1.00 0.00 C ATOM 553 C LEU A 40 -3.647 -6.218 4.680 1.00 0.00 C ATOM 554 O LEU A 40 -3.066 -5.890 5.739 1.00 0.00 O ATOM 555 CB LEU A 40 -3.149 -8.021 3.025 1.00 0.00 C ATOM 556 CG LEU A 40 -3.221 -9.475 2.545 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.508 -9.629 1.214 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.616 -10.414 3.576 1.00 0.00 C ATOM 0 H LEU A 40 -5.532 -8.415 3.232 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.553 -8.295 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.531 -7.381 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.100 -7.761 3.167 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.271 -9.738 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.568 -10.667 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.981 -8.987 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.462 -9.344 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.678 -11.440 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.571 -10.150 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.164 -10.326 4.514 1.00 0.00 H new ATOM 570 N ILE A 41 -4.077 -5.344 3.831 1.00 0.00 N ATOM 571 CA ILE A 41 -3.814 -3.963 4.041 1.00 0.00 C ATOM 572 C ILE A 41 -4.774 -3.404 5.064 1.00 0.00 C ATOM 573 O ILE A 41 -5.958 -3.201 4.793 1.00 0.00 O ATOM 574 CB ILE A 41 -3.860 -3.158 2.730 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.958 -3.832 1.669 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.406 -1.720 2.984 1.00 0.00 C ATOM 577 CD1 ILE A 41 -1.503 -3.932 2.047 1.00 0.00 C ATOM 0 H ILE A 41 -4.610 -5.562 2.989 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.798 -3.869 4.426 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.884 -3.137 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.338 -4.835 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.039 -3.274 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.441 -1.157 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.067 -1.254 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.386 -1.723 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.951 -4.418 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.100 -2.933 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.404 -4.518 2.961 1.00 0.00 H new ATOM 589 N THR A 42 -4.263 -3.226 6.240 1.00 0.00 N ATOM 590 CA THR A 42 -5.012 -2.684 7.343 1.00 0.00 C ATOM 591 C THR A 42 -4.763 -1.185 7.437 1.00 0.00 C ATOM 592 O THR A 42 -3.958 -0.642 6.668 1.00 0.00 O ATOM 593 CB THR A 42 -4.508 -3.330 8.646 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.083 -3.140 8.741 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.812 -4.807 8.670 1.00 0.00 C ATOM 0 H THR A 42 -3.296 -3.455 6.471 1.00 0.00 H new ATOM 0 HA THR A 42 -6.074 -2.882 7.194 1.00 0.00 H new ATOM 0 HB THR A 42 -5.015 -2.859 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.753 -3.547 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.445 -5.239 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.889 -4.958 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.321 -5.293 7.827 1.00 0.00 H new ATOM 603 N ALA A 43 -5.422 -0.525 8.389 1.00 0.00 N ATOM 604 CA ALA A 43 -5.252 0.910 8.617 1.00 0.00 C ATOM 605 C ALA A 43 -3.818 1.199 8.971 1.00 0.00 C ATOM 606 O ALA A 43 -3.263 2.242 8.597 1.00 0.00 O ATOM 607 CB ALA A 43 -6.164 1.395 9.732 1.00 0.00 C ATOM 0 H ALA A 43 -6.087 -0.968 9.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.518 1.439 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.018 2.465 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.203 1.205 9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.926 0.864 10.654 1.00 0.00 H new ATOM 613 N GLY A 44 -3.221 0.253 9.677 1.00 0.00 N ATOM 614 CA GLY A 44 -1.845 0.342 10.039 1.00 0.00 C ATOM 615 C GLY A 44 -0.958 0.287 8.824 1.00 0.00 C ATOM 616 O GLY A 44 -0.012 1.073 8.708 1.00 0.00 O ATOM 0 H GLY A 44 -3.689 -0.591 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.668 1.272 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.591 -0.474 10.715 1.00 0.00 H new ATOM 620 N ILE A 45 -1.283 -0.594 7.878 1.00 0.00 N ATOM 621 CA ILE A 45 -0.473 -0.721 6.700 1.00 0.00 C ATOM 622 C ILE A 45 -0.666 0.493 5.810 1.00 0.00 C ATOM 623 O ILE A 45 0.302 1.052 5.343 1.00 0.00 O ATOM 624 CB ILE A 45 -0.738 -2.034 5.914 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.489 -3.260 6.807 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.155 -2.109 4.679 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.930 -3.366 7.349 1.00 0.00 C ATOM 0 H ILE A 45 -2.091 -1.215 7.916 1.00 0.00 H new ATOM 0 HA ILE A 45 0.565 -0.773 7.027 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.781 -2.032 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.184 -3.230 7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.716 -4.161 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.045 -3.036 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.052 -1.260 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.201 -2.085 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.017 -4.259 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.633 -3.430 6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.157 -2.485 7.949 1.00 0.00 H new ATOM 639 N VAL A 46 -1.920 0.925 5.638 1.00 0.00 N ATOM 640 CA VAL A 46 -2.241 2.114 4.827 1.00 0.00 C ATOM 641 C VAL A 46 -1.452 3.328 5.320 1.00 0.00 C ATOM 642 O VAL A 46 -0.763 4.003 4.535 1.00 0.00 O ATOM 643 CB VAL A 46 -3.766 2.463 4.871 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.056 3.756 4.119 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.605 1.344 4.293 1.00 0.00 C ATOM 0 H VAL A 46 -2.735 0.470 6.050 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.966 1.874 3.800 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.033 2.595 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.123 3.973 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.499 4.575 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.754 3.647 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.659 1.618 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.319 1.174 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.442 0.433 4.868 1.00 0.00 H new ATOM 655 N ALA A 47 -1.530 3.575 6.621 1.00 0.00 N ATOM 656 CA ALA A 47 -0.867 4.706 7.238 1.00 0.00 C ATOM 657 C ALA A 47 0.649 4.618 7.093 1.00 0.00 C ATOM 658 O ALA A 47 1.301 5.605 6.715 1.00 0.00 O ATOM 659 CB ALA A 47 -1.262 4.819 8.697 1.00 0.00 C ATOM 0 H ALA A 47 -2.056 2.994 7.274 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.192 5.607 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.755 5.673 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.341 4.956 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.974 3.909 9.223 1.00 0.00 H new ATOM 665 N THR A 48 1.203 3.447 7.368 1.00 0.00 N ATOM 666 CA THR A 48 2.630 3.232 7.256 1.00 0.00 C ATOM 667 C THR A 48 3.088 3.369 5.796 1.00 0.00 C ATOM 668 O THR A 48 4.019 4.114 5.500 1.00 0.00 O ATOM 669 CB THR A 48 3.018 1.841 7.804 1.00 0.00 C ATOM 670 OG1 THR A 48 2.559 1.715 9.167 1.00 0.00 O ATOM 671 CG2 THR A 48 4.524 1.645 7.759 1.00 0.00 C ATOM 0 H THR A 48 0.677 2.628 7.672 1.00 0.00 H new ATOM 0 HA THR A 48 3.132 3.994 7.852 1.00 0.00 H new ATOM 0 HB THR A 48 2.548 1.080 7.181 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.608 1.478 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.774 0.659 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.871 1.726 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.009 2.410 8.366 1.00 0.00 H new ATOM 679 N ALA A 49 2.389 2.696 4.901 1.00 0.00 N ATOM 680 CA ALA A 49 2.719 2.686 3.489 1.00 0.00 C ATOM 681 C ALA A 49 2.727 4.085 2.893 1.00 0.00 C ATOM 682 O ALA A 49 3.699 4.469 2.248 1.00 0.00 O ATOM 683 CB ALA A 49 1.788 1.766 2.720 1.00 0.00 C ATOM 0 H ALA A 49 1.569 2.136 5.136 1.00 0.00 H new ATOM 0 HA ALA A 49 3.733 2.297 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.057 1.777 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.878 0.751 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.760 2.109 2.836 1.00 0.00 H new ATOM 689 N LYS A 50 1.677 4.882 3.144 1.00 0.00 N ATOM 690 CA LYS A 50 1.669 6.222 2.597 1.00 0.00 C ATOM 691 C LYS A 50 2.686 7.136 3.295 1.00 0.00 C ATOM 692 O LYS A 50 3.104 8.171 2.753 1.00 0.00 O ATOM 693 CB LYS A 50 0.280 6.862 2.516 1.00 0.00 C ATOM 694 CG LYS A 50 -0.432 7.139 3.833 1.00 0.00 C ATOM 695 CD LYS A 50 -1.627 8.076 3.608 1.00 0.00 C ATOM 696 CE LYS A 50 -2.627 7.520 2.585 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.668 8.516 2.207 1.00 0.00 N ATOM 0 H LYS A 50 0.861 4.626 3.699 1.00 0.00 H new ATOM 0 HA LYS A 50 1.987 6.106 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.372 7.804 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.358 6.212 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.774 6.202 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.263 7.589 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.138 8.242 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.265 9.046 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.090 7.204 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.109 6.634 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.168 8.189 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.346 8.622 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.217 9.433 2.013 1.00 0.00 H new ATOM 711 N SER A 51 3.095 6.756 4.479 1.00 0.00 N ATOM 712 CA SER A 51 4.124 7.485 5.162 1.00 0.00 C ATOM 713 C SER A 51 5.442 7.224 4.450 1.00 0.00 C ATOM 714 O SER A 51 6.191 8.161 4.140 1.00 0.00 O ATOM 715 CB SER A 51 4.184 7.090 6.654 1.00 0.00 C ATOM 716 OG SER A 51 5.178 7.811 7.367 1.00 0.00 O ATOM 0 H SER A 51 2.731 5.949 4.985 1.00 0.00 H new ATOM 0 HA SER A 51 3.909 8.553 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.211 7.267 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.385 6.022 6.736 1.00 0.00 H new ATOM 0 HG SER A 51 5.177 7.529 8.305 1.00 0.00 H new ATOM 722 N LEU A 52 5.675 5.964 4.121 1.00 0.00 N ATOM 723 CA LEU A 52 6.879 5.541 3.442 1.00 0.00 C ATOM 724 C LEU A 52 6.963 6.156 2.043 1.00 0.00 C ATOM 725 O LEU A 52 8.053 6.497 1.586 1.00 0.00 O ATOM 726 CB LEU A 52 6.942 4.014 3.350 1.00 0.00 C ATOM 727 CG LEU A 52 6.852 3.247 4.672 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.703 1.778 4.406 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.071 3.489 5.538 1.00 0.00 C ATOM 0 H LEU A 52 5.026 5.203 4.321 1.00 0.00 H new ATOM 0 HA LEU A 52 7.731 5.891 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.131 3.677 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.876 3.740 2.859 1.00 0.00 H new ATOM 0 HG LEU A 52 5.977 3.612 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.640 1.241 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.795 1.603 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.565 1.421 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.973 2.929 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.965 3.159 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.153 4.553 5.761 1.00 0.00 H new ATOM 741 N ILE A 53 5.818 6.344 1.377 1.00 0.00 N ATOM 742 CA ILE A 53 5.839 6.911 0.039 1.00 0.00 C ATOM 743 C ILE A 53 6.140 8.400 0.080 1.00 0.00 C ATOM 744 O ILE A 53 6.716 8.938 -0.861 1.00 0.00 O ATOM 745 CB ILE A 53 4.545 6.650 -0.801 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.366 7.455 -0.264 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.209 5.168 -0.817 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.067 7.260 -1.026 1.00 0.00 C ATOM 0 H ILE A 53 4.891 6.116 1.737 1.00 0.00 H new ATOM 0 HA ILE A 53 6.643 6.383 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 53 4.739 6.976 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.204 7.185 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.627 8.513 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.306 5.006 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.036 4.612 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.044 4.821 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.285 7.870 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.206 7.559 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.776 6.210 -0.987 1.00 0.00 H new ATOM 760 N LYS A 54 5.768 9.070 1.175 1.00 0.00 N ATOM 761 CA LYS A 54 6.051 10.494 1.291 1.00 0.00 C ATOM 762 C LYS A 54 7.547 10.746 1.544 1.00 0.00 C ATOM 763 O LYS A 54 8.127 11.718 1.043 1.00 0.00 O ATOM 764 CB LYS A 54 5.195 11.142 2.391 1.00 0.00 C ATOM 765 CG LYS A 54 5.456 12.633 2.582 1.00 0.00 C ATOM 766 CD LYS A 54 4.555 13.238 3.641 1.00 0.00 C ATOM 767 CE LYS A 54 4.885 14.702 3.887 1.00 0.00 C ATOM 768 NZ LYS A 54 6.215 14.870 4.518 1.00 0.00 N ATOM 0 H LYS A 54 5.283 8.658 1.972 1.00 0.00 H new ATOM 0 HA LYS A 54 5.788 10.960 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.142 10.996 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.382 10.627 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.498 12.785 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.302 13.152 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.514 13.146 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.660 12.680 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.861 15.243 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.121 15.144 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.312 15.844 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.309 14.205 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.959 14.679 3.817 1.00 0.00 H new ATOM 782 N LYS A 55 8.168 9.862 2.288 1.00 0.00 N ATOM 783 CA LYS A 55 9.573 10.027 2.632 1.00 0.00 C ATOM 784 C LYS A 55 10.527 9.329 1.683 1.00 0.00 C ATOM 785 O LYS A 55 11.449 9.940 1.152 1.00 0.00 O ATOM 786 CB LYS A 55 9.844 9.607 4.085 1.00 0.00 C ATOM 787 CG LYS A 55 9.107 8.362 4.544 1.00 0.00 C ATOM 788 CD LYS A 55 9.282 8.084 6.035 1.00 0.00 C ATOM 789 CE LYS A 55 8.729 9.208 6.925 1.00 0.00 C ATOM 790 NZ LYS A 55 7.266 9.431 6.757 1.00 0.00 N ATOM 0 H LYS A 55 7.731 9.023 2.669 1.00 0.00 H new ATOM 0 HA LYS A 55 9.774 11.093 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.915 9.442 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.573 10.433 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.045 8.472 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.464 7.504 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.780 7.149 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.341 7.945 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.935 8.970 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.258 10.134 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.970 10.245 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.057 9.621 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.748 8.583 7.064 1.00 0.00 H new ATOM 804 N TYR A 56 10.320 8.068 1.488 1.00 0.00 N ATOM 805 CA TYR A 56 11.238 7.265 0.721 1.00 0.00 C ATOM 806 C TYR A 56 10.797 7.127 -0.723 1.00 0.00 C ATOM 807 O TYR A 56 11.628 7.021 -1.636 1.00 0.00 O ATOM 808 CB TYR A 56 11.356 5.907 1.374 1.00 0.00 C ATOM 809 CG TYR A 56 11.629 5.983 2.861 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.605 6.817 3.371 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.915 5.212 3.744 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.860 6.873 4.715 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.158 5.259 5.093 1.00 0.00 C ATOM 814 CZ TYR A 56 12.135 6.089 5.573 1.00 0.00 C ATOM 815 OH TYR A 56 12.381 6.142 6.921 1.00 0.00 O ATOM 0 H TYR A 56 9.514 7.559 1.851 1.00 0.00 H new ATOM 0 HA TYR A 56 12.210 7.759 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.434 5.350 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.158 5.347 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.178 7.437 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.145 4.554 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.627 7.531 5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.583 4.646 5.771 1.00 0.00 H new ATOM 0 HH TYR A 56 11.779 5.525 7.388 1.00 0.00 H new ATOM 825 N GLY A 57 9.514 7.098 -0.930 1.00 0.00 N ATOM 826 CA GLY A 57 8.995 7.015 -2.259 1.00 0.00 C ATOM 827 C GLY A 57 8.018 5.884 -2.422 1.00 0.00 C ATOM 828 O GLY A 57 7.963 4.959 -1.588 1.00 0.00 O ATOM 0 H GLY A 57 8.809 7.131 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.505 7.955 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.819 6.884 -2.961 1.00 0.00 H new ATOM 832 N ALA A 58 7.255 5.954 -3.482 1.00 0.00 N ATOM 833 CA ALA A 58 6.238 4.977 -3.807 1.00 0.00 C ATOM 834 C ALA A 58 6.863 3.616 -4.089 1.00 0.00 C ATOM 835 O ALA A 58 6.350 2.574 -3.663 1.00 0.00 O ATOM 836 CB ALA A 58 5.428 5.469 -4.998 1.00 0.00 C ATOM 0 H ALA A 58 7.322 6.710 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 58 5.571 4.856 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.661 4.735 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.954 6.418 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.088 5.607 -5.855 1.00 0.00 H new ATOM 842 N LYS A 59 8.003 3.643 -4.746 1.00 0.00 N ATOM 843 CA LYS A 59 8.715 2.435 -5.107 1.00 0.00 C ATOM 844 C LYS A 59 9.284 1.743 -3.862 1.00 0.00 C ATOM 845 O LYS A 59 9.351 0.505 -3.800 1.00 0.00 O ATOM 846 CB LYS A 59 9.830 2.746 -6.115 1.00 0.00 C ATOM 847 CG LYS A 59 10.594 1.522 -6.607 1.00 0.00 C ATOM 848 CD LYS A 59 9.691 0.561 -7.373 1.00 0.00 C ATOM 849 CE LYS A 59 10.441 -0.685 -7.829 1.00 0.00 C ATOM 850 NZ LYS A 59 11.620 -0.353 -8.658 1.00 0.00 N ATOM 0 H LYS A 59 8.463 4.503 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 59 8.009 1.752 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.394 3.257 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.535 3.439 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.415 1.840 -7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.037 1.004 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.853 0.269 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.273 1.070 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.761 -1.255 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.767 -1.325 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.980 -1.217 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.348 0.334 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.363 0.057 -8.057 1.00 0.00 H new ATOM 864 N TYR A 60 9.650 2.537 -2.856 1.00 0.00 N ATOM 865 CA TYR A 60 10.190 1.999 -1.631 1.00 0.00 C ATOM 866 C TYR A 60 9.132 1.193 -0.943 1.00 0.00 C ATOM 867 O TYR A 60 9.362 0.051 -0.536 1.00 0.00 O ATOM 868 CB TYR A 60 10.669 3.123 -0.692 1.00 0.00 C ATOM 869 CG TYR A 60 11.089 2.637 0.691 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.143 2.425 1.688 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.408 2.375 0.985 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.496 1.968 2.926 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.782 1.916 2.227 1.00 0.00 C ATOM 874 CZ TYR A 60 11.826 1.711 3.195 1.00 0.00 C ATOM 875 OH TYR A 60 12.207 1.264 4.435 1.00 0.00 O ATOM 0 H TYR A 60 9.578 3.554 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 60 11.047 1.371 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.511 3.637 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.870 3.856 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.103 2.627 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.162 2.532 0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.744 1.810 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.822 1.717 2.441 1.00 0.00 H new ATOM 0 HH TYR A 60 13.178 1.133 4.451 1.00 0.00 H new ATOM 885 N ALA A 61 7.971 1.789 -0.817 1.00 0.00 N ATOM 886 CA ALA A 61 6.879 1.167 -0.133 1.00 0.00 C ATOM 887 C ALA A 61 6.396 -0.046 -0.871 1.00 0.00 C ATOM 888 O ALA A 61 5.965 -0.990 -0.253 1.00 0.00 O ATOM 889 CB ALA A 61 5.773 2.131 0.080 1.00 0.00 C ATOM 0 H ALA A 61 7.763 2.717 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 61 7.239 0.841 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.954 1.636 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.131 2.969 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.420 2.498 -0.884 1.00 0.00 H new ATOM 895 N ALA A 62 6.489 -0.025 -2.196 1.00 0.00 N ATOM 896 CA ALA A 62 6.130 -1.180 -3.002 1.00 0.00 C ATOM 897 C ALA A 62 6.977 -2.378 -2.590 1.00 0.00 C ATOM 898 O ALA A 62 6.452 -3.472 -2.339 1.00 0.00 O ATOM 899 CB ALA A 62 6.311 -0.883 -4.484 1.00 0.00 C ATOM 0 H ALA A 62 6.810 0.781 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 62 5.079 -1.412 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.036 -1.762 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.674 -0.045 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.353 -0.629 -4.680 1.00 0.00 H new ATOM 905 N ALA A 63 8.277 -2.147 -2.451 1.00 0.00 N ATOM 906 CA ALA A 63 9.205 -3.183 -2.038 1.00 0.00 C ATOM 907 C ALA A 63 8.941 -3.588 -0.589 1.00 0.00 C ATOM 908 O ALA A 63 8.931 -4.773 -0.263 1.00 0.00 O ATOM 909 CB ALA A 63 10.638 -2.713 -2.219 1.00 0.00 C ATOM 0 H ALA A 63 8.712 -1.240 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 63 9.054 -4.060 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.322 -3.501 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.814 -2.477 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.808 -1.823 -1.614 1.00 0.00 H new ATOM 915 N TRP A 64 8.677 -2.595 0.255 1.00 0.00 N ATOM 916 CA TRP A 64 8.373 -2.814 1.671 1.00 0.00 C ATOM 917 C TRP A 64 7.127 -3.680 1.819 1.00 0.00 C ATOM 918 O TRP A 64 7.129 -4.663 2.580 1.00 0.00 O ATOM 919 CB TRP A 64 8.194 -1.464 2.404 1.00 0.00 C ATOM 920 CG TRP A 64 7.792 -1.589 3.848 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.622 -1.662 4.917 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.452 -1.646 4.374 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.890 -1.752 6.079 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.555 -1.748 5.769 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.182 -1.617 3.795 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.431 -1.823 6.594 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.075 -1.690 4.614 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.206 -1.792 5.996 1.00 0.00 C ATOM 0 H TRP A 64 8.667 -1.613 -0.021 1.00 0.00 H new ATOM 0 HA TRP A 64 9.212 -3.339 2.128 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.129 -0.907 2.347 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.440 -0.877 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.701 -1.651 4.865 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.279 -1.812 7.020 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.068 -1.539 2.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.528 -1.903 7.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.088 -1.668 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.318 -1.848 6.608 1.00 0.00 H new TER 939 TRP A 64