USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 521 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 Single : A 8 MET CE :methyl 172:sc= -0.839 (180deg=-0.98) USER MOD Single : A 9 LYS NZ :NH3+ -112:sc= 1.28 (180deg=-0.638) USER MOD Single : A 11 THR OG1 : rot 4:sc= 0.987 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0.34 (180deg=0.34) USER MOD Single : A 23 SER OG : rot -109:sc= 0.00435 USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= 1.06 (180deg=0.265) USER MOD Single : A 42 THR OG1 : rot -21:sc= 0.414 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= 1.4 (180deg=0.788) USER MOD Single : A 48 ASN : amide:sc= -0.0967 X(o=-0.097,f=-0.47) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 11.785 14.848 1.857 1.00 0.00 N ATOM 37 CA ILE A 6 10.983 14.653 0.664 1.00 0.00 C ATOM 38 C ILE A 6 10.962 13.176 0.301 1.00 0.00 C ATOM 39 O ILE A 6 12.007 12.559 0.090 1.00 0.00 O ATOM 40 CB ILE A 6 11.518 15.480 -0.529 1.00 0.00 C ATOM 41 CG1 ILE A 6 11.552 16.970 -0.168 1.00 0.00 C ATOM 42 CG2 ILE A 6 10.655 15.251 -1.766 1.00 0.00 C ATOM 43 CD1 ILE A 6 12.146 17.848 -1.251 1.00 0.00 C ATOM 0 HA ILE A 6 9.972 14.998 0.878 1.00 0.00 H new ATOM 0 HB ILE A 6 12.533 15.152 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.537 17.306 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.128 17.099 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.045 15.840 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.673 14.194 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.630 15.555 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.136 18.887 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.173 17.539 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.557 17.750 -2.163 1.00 0.00 H new ATOM 55 N GLY A 7 9.768 12.616 0.237 1.00 0.00 N ATOM 56 CA GLY A 7 9.633 11.202 -0.012 1.00 0.00 C ATOM 57 C GLY A 7 9.248 10.467 1.250 1.00 0.00 C ATOM 58 O GLY A 7 9.037 11.095 2.290 1.00 0.00 O ATOM 0 H GLY A 7 8.888 13.118 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.878 11.034 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.572 10.805 -0.397 1.00 0.00 H new ATOM 62 N MET A 8 9.151 9.151 1.174 1.00 0.00 N ATOM 63 CA MET A 8 8.765 8.359 2.332 1.00 0.00 C ATOM 64 C MET A 8 9.172 6.900 2.172 1.00 0.00 C ATOM 65 O MET A 8 9.412 6.426 1.058 1.00 0.00 O ATOM 66 CB MET A 8 7.253 8.478 2.593 1.00 0.00 C ATOM 67 CG MET A 8 6.366 8.227 1.379 1.00 0.00 C ATOM 68 SD MET A 8 6.288 6.493 0.896 1.00 0.00 S ATOM 69 CE MET A 8 5.113 6.578 -0.450 1.00 0.00 C ATOM 0 H MET A 8 9.333 8.610 0.329 1.00 0.00 H new ATOM 0 HA MET A 8 9.297 8.756 3.196 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.979 7.772 3.376 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.044 9.477 2.976 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.358 8.582 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.738 8.814 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.062 5.611 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.129 6.837 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.431 7.339 -1.163 1.00 0.00 H new ATOM 79 N LYS A 9 9.275 6.208 3.299 1.00 0.00 N ATOM 80 CA LYS A 9 9.583 4.785 3.310 1.00 0.00 C ATOM 81 C LYS A 9 8.446 4.031 3.988 1.00 0.00 C ATOM 82 O LYS A 9 7.920 4.490 5.004 1.00 0.00 O ATOM 83 CB LYS A 9 10.888 4.530 4.071 1.00 0.00 C ATOM 84 CG LYS A 9 12.047 5.413 3.630 1.00 0.00 C ATOM 85 CD LYS A 9 13.270 5.210 4.512 1.00 0.00 C ATOM 86 CE LYS A 9 13.896 3.842 4.302 1.00 0.00 C ATOM 87 NZ LYS A 9 14.607 3.751 3.002 1.00 0.00 N ATOM 0 H LYS A 9 9.148 6.615 4.226 1.00 0.00 H new ATOM 0 HA LYS A 9 9.700 4.438 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.712 4.685 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.172 3.485 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.303 5.189 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.742 6.459 3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.007 5.984 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.986 5.323 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.594 3.634 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.120 3.077 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.101 3.094 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.644 4.692 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.575 3.404 3.159 1.00 0.00 H new ATOM 101 N PHE A 10 8.054 2.893 3.434 1.00 0.00 N ATOM 102 CA PHE A 10 6.999 2.094 4.044 1.00 0.00 C ATOM 103 C PHE A 10 7.197 0.618 3.744 1.00 0.00 C ATOM 104 O PHE A 10 7.944 0.248 2.829 1.00 0.00 O ATOM 105 CB PHE A 10 5.610 2.552 3.575 1.00 0.00 C ATOM 106 CG PHE A 10 5.294 2.251 2.131 1.00 0.00 C ATOM 107 CD1 PHE A 10 5.636 3.144 1.130 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.632 1.082 1.783 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.329 2.875 -0.192 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.321 0.809 0.465 1.00 0.00 C ATOM 111 CZ PHE A 10 4.670 1.706 -0.523 1.00 0.00 C ATOM 0 H PHE A 10 8.444 2.505 2.575 1.00 0.00 H new ATOM 0 HA PHE A 10 7.058 2.240 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.856 2.077 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.526 3.627 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.148 4.060 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.356 0.376 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.604 3.578 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.806 -0.105 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.429 1.495 -1.554 1.00 0.00 H new ATOM 121 N THR A 11 6.528 -0.222 4.515 1.00 0.00 N ATOM 122 CA THR A 11 6.588 -1.650 4.305 1.00 0.00 C ATOM 123 C THR A 11 5.252 -2.149 3.759 1.00 0.00 C ATOM 124 O THR A 11 4.185 -1.685 4.170 1.00 0.00 O ATOM 125 CB THR A 11 6.967 -2.406 5.606 1.00 0.00 C ATOM 126 OG1 THR A 11 7.598 -3.649 5.282 1.00 0.00 O ATOM 127 CG2 THR A 11 5.751 -2.681 6.478 1.00 0.00 C ATOM 0 H THR A 11 5.936 0.066 5.294 1.00 0.00 H new ATOM 0 HA THR A 11 7.371 -1.853 3.575 1.00 0.00 H new ATOM 0 HB THR A 11 7.652 -1.768 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.699 -3.721 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.061 -3.212 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.282 -1.737 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.037 -3.291 5.925 1.00 0.00 H new ATOM 135 N VAL A 12 5.319 -3.053 2.801 1.00 0.00 N ATOM 136 CA VAL A 12 4.131 -3.647 2.222 1.00 0.00 C ATOM 137 C VAL A 12 4.247 -5.167 2.223 1.00 0.00 C ATOM 138 O VAL A 12 5.197 -5.729 1.675 1.00 0.00 O ATOM 139 CB VAL A 12 3.872 -3.122 0.788 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.091 -3.314 -0.103 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.643 -3.786 0.176 1.00 0.00 C ATOM 0 H VAL A 12 6.194 -3.395 2.404 1.00 0.00 H new ATOM 0 HA VAL A 12 3.279 -3.357 2.837 1.00 0.00 H new ATOM 0 HB VAL A 12 3.679 -2.052 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.875 -2.935 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.937 -2.770 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.335 -4.375 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.484 -3.399 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.797 -4.864 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.769 -3.570 0.790 1.00 0.00 H new ATOM 151 N ILE A 13 3.300 -5.835 2.861 1.00 0.00 N ATOM 152 CA ILE A 13 3.311 -7.286 2.895 1.00 0.00 C ATOM 153 C ILE A 13 2.565 -7.813 1.667 1.00 0.00 C ATOM 154 O ILE A 13 1.435 -7.404 1.385 1.00 0.00 O ATOM 155 CB ILE A 13 2.723 -7.833 4.235 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.265 -9.238 4.554 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.201 -7.842 4.235 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.746 -10.343 3.654 1.00 0.00 C ATOM 0 H ILE A 13 2.522 -5.400 3.357 1.00 0.00 H new ATOM 0 HA ILE A 13 4.339 -7.646 2.857 1.00 0.00 H new ATOM 0 HB ILE A 13 3.050 -7.149 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.353 -9.216 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.014 -9.482 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.839 -8.230 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.831 -6.827 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.841 -8.476 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.184 -11.294 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.661 -10.400 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.020 -10.130 2.621 1.00 0.00 H new ATOM 170 N THR A 14 3.242 -8.661 0.902 1.00 0.00 N ATOM 171 CA THR A 14 2.701 -9.175 -0.345 1.00 0.00 C ATOM 172 C THR A 14 2.884 -10.695 -0.422 1.00 0.00 C ATOM 173 O THR A 14 3.303 -11.325 0.551 1.00 0.00 O ATOM 174 CB THR A 14 3.399 -8.508 -1.552 1.00 0.00 C ATOM 175 OG1 THR A 14 4.053 -7.303 -1.130 1.00 0.00 O ATOM 176 CG2 THR A 14 2.399 -8.168 -2.646 1.00 0.00 C ATOM 0 H THR A 14 4.174 -9.008 1.128 1.00 0.00 H new ATOM 0 HA THR A 14 1.637 -8.942 -0.375 1.00 0.00 H new ATOM 0 HB THR A 14 4.129 -9.214 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.495 -6.885 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.919 -7.700 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.910 -9.080 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.650 -7.480 -2.254 1.00 0.00 H new ATOM 184 N ASP A 15 2.596 -11.267 -1.590 1.00 0.00 N ATOM 185 CA ASP A 15 2.622 -12.719 -1.790 1.00 0.00 C ATOM 186 C ASP A 15 3.976 -13.334 -1.444 1.00 0.00 C ATOM 187 O ASP A 15 4.047 -14.357 -0.765 1.00 0.00 O ATOM 188 CB ASP A 15 2.293 -13.056 -3.245 1.00 0.00 C ATOM 189 CG ASP A 15 0.962 -12.502 -3.697 1.00 0.00 C ATOM 190 OD1 ASP A 15 0.905 -11.314 -4.072 1.00 0.00 O ATOM 191 OD2 ASP A 15 -0.030 -13.259 -3.696 1.00 0.00 O ATOM 0 H ASP A 15 2.338 -10.740 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 15 1.874 -13.139 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.080 -12.664 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.290 -14.139 -3.369 1.00 0.00 H new ATOM 196 N ASP A 16 5.051 -12.714 -1.914 1.00 0.00 N ATOM 197 CA ASP A 16 6.385 -13.289 -1.752 1.00 0.00 C ATOM 198 C ASP A 16 7.050 -12.819 -0.460 1.00 0.00 C ATOM 199 O ASP A 16 8.221 -13.111 -0.217 1.00 0.00 O ATOM 200 CB ASP A 16 7.271 -12.954 -2.955 1.00 0.00 C ATOM 201 CG ASP A 16 7.610 -11.483 -3.047 1.00 0.00 C ATOM 202 OD1 ASP A 16 6.744 -10.695 -3.476 1.00 0.00 O ATOM 203 OD2 ASP A 16 8.752 -11.109 -2.708 1.00 0.00 O ATOM 0 H ASP A 16 5.029 -11.821 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 16 6.266 -14.371 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.194 -13.531 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.765 -13.263 -3.870 1.00 0.00 H new ATOM 208 N GLY A 17 6.301 -12.120 0.375 1.00 0.00 N ATOM 209 CA GLY A 17 6.842 -11.668 1.639 1.00 0.00 C ATOM 210 C GLY A 17 6.577 -10.202 1.885 1.00 0.00 C ATOM 211 O GLY A 17 5.812 -9.572 1.156 1.00 0.00 O ATOM 0 H GLY A 17 5.331 -11.857 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.407 -12.254 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.917 -11.849 1.657 1.00 0.00 H new ATOM 215 N LYS A 18 7.210 -9.652 2.909 1.00 0.00 N ATOM 216 CA LYS A 18 7.015 -8.257 3.261 1.00 0.00 C ATOM 217 C LYS A 18 8.174 -7.421 2.743 1.00 0.00 C ATOM 218 O LYS A 18 9.334 -7.676 3.071 1.00 0.00 O ATOM 219 CB LYS A 18 6.885 -8.100 4.777 1.00 0.00 C ATOM 220 CG LYS A 18 6.389 -6.729 5.206 1.00 0.00 C ATOM 221 CD LYS A 18 6.370 -6.586 6.718 1.00 0.00 C ATOM 222 CE LYS A 18 5.529 -7.666 7.379 1.00 0.00 C ATOM 223 NZ LYS A 18 5.522 -7.527 8.856 1.00 0.00 N ATOM 0 H LYS A 18 7.864 -10.152 3.511 1.00 0.00 H new ATOM 0 HA LYS A 18 6.093 -7.907 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.201 -8.859 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.855 -8.287 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.030 -5.959 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.386 -6.565 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.390 -6.635 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.976 -5.605 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.507 -7.613 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.918 -8.647 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.939 -8.280 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.495 -7.603 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.128 -6.600 9.116 1.00 0.00 H new ATOM 237 N LYS A 19 7.852 -6.426 1.940 1.00 0.00 N ATOM 238 CA LYS A 19 8.858 -5.587 1.312 1.00 0.00 C ATOM 239 C LYS A 19 8.942 -4.250 2.030 1.00 0.00 C ATOM 240 O LYS A 19 7.940 -3.747 2.531 1.00 0.00 O ATOM 241 CB LYS A 19 8.485 -5.335 -0.151 1.00 0.00 C ATOM 242 CG LYS A 19 8.135 -6.591 -0.929 1.00 0.00 C ATOM 243 CD LYS A 19 7.522 -6.243 -2.275 1.00 0.00 C ATOM 244 CE LYS A 19 7.080 -7.488 -3.023 1.00 0.00 C ATOM 245 NZ LYS A 19 8.230 -8.341 -3.412 1.00 0.00 N ATOM 0 H LYS A 19 6.892 -6.176 1.704 1.00 0.00 H new ATOM 0 HA LYS A 19 9.820 -6.097 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.637 -4.651 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.318 -4.835 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.032 -7.193 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.436 -7.197 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.667 -5.583 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.248 -5.695 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.397 -8.063 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.526 -7.197 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.884 -9.180 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.869 -7.801 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.744 -8.641 -2.559 1.00 0.00 H new ATOM 259 N ILE A 20 10.129 -3.683 2.092 1.00 0.00 N ATOM 260 CA ILE A 20 10.289 -2.324 2.570 1.00 0.00 C ATOM 261 C ILE A 20 10.929 -1.504 1.452 1.00 0.00 C ATOM 262 O ILE A 20 12.005 -1.839 0.954 1.00 0.00 O ATOM 263 CB ILE A 20 11.112 -2.271 3.896 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.044 -0.879 4.555 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.559 -2.697 3.680 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.898 0.191 3.896 1.00 0.00 C ATOM 0 H ILE A 20 10.998 -4.142 1.817 1.00 0.00 H new ATOM 0 HA ILE A 20 9.317 -1.898 2.817 1.00 0.00 H new ATOM 0 HB ILE A 20 10.653 -2.986 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.007 -0.545 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.348 -0.973 5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.098 -2.647 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.585 -3.719 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.030 -2.031 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.781 1.132 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.945 -0.113 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 20 11.582 0.322 2.861 1.00 0.00 H new ATOM 278 N LEU A 21 10.245 -0.457 1.022 1.00 0.00 N ATOM 279 CA LEU A 21 10.699 0.311 -0.126 1.00 0.00 C ATOM 280 C LEU A 21 10.531 1.804 0.104 1.00 0.00 C ATOM 281 O LEU A 21 9.927 2.228 1.091 1.00 0.00 O ATOM 282 CB LEU A 21 9.967 -0.147 -1.400 1.00 0.00 C ATOM 283 CG LEU A 21 8.436 -0.088 -1.359 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.931 1.295 -1.738 1.00 0.00 C ATOM 285 CD2 LEU A 21 7.840 -1.143 -2.279 1.00 0.00 C ATOM 0 H LEU A 21 9.380 -0.121 1.446 1.00 0.00 H new ATOM 0 HA LEU A 21 11.765 0.125 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.311 0.467 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.265 -1.173 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 21 8.117 -0.294 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.842 1.308 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.327 2.031 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.262 1.539 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.752 -1.088 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.175 -0.965 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.166 -2.132 -1.957 1.00 0.00 H new ATOM 297 N GLU A 22 11.071 2.593 -0.812 1.00 0.00 N ATOM 298 CA GLU A 22 11.090 4.034 -0.665 1.00 0.00 C ATOM 299 C GLU A 22 10.603 4.701 -1.945 1.00 0.00 C ATOM 300 O GLU A 22 10.880 4.223 -3.048 1.00 0.00 O ATOM 301 CB GLU A 22 12.515 4.486 -0.343 1.00 0.00 C ATOM 302 CG GLU A 22 12.656 5.959 -0.004 1.00 0.00 C ATOM 303 CD GLU A 22 14.088 6.329 0.312 1.00 0.00 C ATOM 304 OE1 GLU A 22 14.570 5.968 1.409 1.00 0.00 O ATOM 305 OE2 GLU A 22 14.748 6.953 -0.539 1.00 0.00 O ATOM 0 H GLU A 22 11.504 2.253 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 22 10.424 4.324 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.887 3.898 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.154 4.262 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.302 6.560 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.022 6.198 0.850 1.00 0.00 H new ATOM 312 N SER A 23 9.863 5.787 -1.790 1.00 0.00 N ATOM 313 CA SER A 23 9.401 6.565 -2.925 1.00 0.00 C ATOM 314 C SER A 23 9.911 7.997 -2.793 1.00 0.00 C ATOM 315 O SER A 23 9.979 8.535 -1.686 1.00 0.00 O ATOM 316 CB SER A 23 7.868 6.538 -3.002 1.00 0.00 C ATOM 317 OG SER A 23 7.396 7.097 -4.219 1.00 0.00 O ATOM 0 H SER A 23 9.569 6.150 -0.883 1.00 0.00 H new ATOM 0 HA SER A 23 9.791 6.132 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.517 5.510 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.451 7.092 -2.161 1.00 0.00 H new ATOM 0 HG SER A 23 6.965 7.958 -4.038 1.00 0.00 H new ATOM 323 N GLY A 24 10.262 8.610 -3.920 1.00 0.00 N ATOM 324 CA GLY A 24 10.876 9.927 -3.900 1.00 0.00 C ATOM 325 C GLY A 24 9.889 11.029 -3.572 1.00 0.00 C ATOM 326 O GLY A 24 10.280 12.158 -3.277 1.00 0.00 O ATOM 0 H GLY A 24 10.131 8.216 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.682 9.936 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.328 10.127 -4.872 1.00 0.00 H new ATOM 330 N ALA A 25 8.607 10.703 -3.634 1.00 0.00 N ATOM 331 CA ALA A 25 7.557 11.648 -3.299 1.00 0.00 C ATOM 332 C ALA A 25 6.470 10.949 -2.498 1.00 0.00 C ATOM 333 O ALA A 25 6.194 9.774 -2.728 1.00 0.00 O ATOM 334 CB ALA A 25 6.979 12.269 -4.562 1.00 0.00 C ATOM 0 H ALA A 25 8.269 9.783 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 25 7.980 12.448 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.193 12.975 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.767 12.792 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.562 11.485 -5.195 1.00 0.00 H new ATOM 340 N PRO A 26 5.860 11.648 -1.527 1.00 0.00 N ATOM 341 CA PRO A 26 4.748 11.099 -0.747 1.00 0.00 C ATOM 342 C PRO A 26 3.597 10.677 -1.654 1.00 0.00 C ATOM 343 O PRO A 26 3.049 11.490 -2.400 1.00 0.00 O ATOM 344 CB PRO A 26 4.333 12.261 0.161 1.00 0.00 C ATOM 345 CG PRO A 26 5.534 13.141 0.229 1.00 0.00 C ATOM 346 CD PRO A 26 6.210 13.015 -1.106 1.00 0.00 C ATOM 0 HA PRO A 26 5.026 10.205 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.475 12.795 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.046 11.906 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.251 14.175 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.200 12.832 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.848 13.760 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.289 13.149 -1.026 1.00 0.00 H new ATOM 354 N ARG A 27 3.247 9.403 -1.597 1.00 0.00 N ATOM 355 CA ARG A 27 2.252 8.848 -2.501 1.00 0.00 C ATOM 356 C ARG A 27 0.998 8.434 -1.751 1.00 0.00 C ATOM 357 O ARG A 27 1.030 8.171 -0.549 1.00 0.00 O ATOM 358 CB ARG A 27 2.819 7.634 -3.247 1.00 0.00 C ATOM 359 CG ARG A 27 3.977 7.958 -4.176 1.00 0.00 C ATOM 360 CD ARG A 27 3.547 8.881 -5.305 1.00 0.00 C ATOM 361 NE ARG A 27 4.604 9.056 -6.296 1.00 0.00 N ATOM 362 CZ ARG A 27 4.391 9.089 -7.612 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.156 8.986 -8.092 1.00 0.00 N ATOM 364 NH2 ARG A 27 5.413 9.234 -8.446 1.00 0.00 N ATOM 0 H ARG A 27 3.637 8.733 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 27 1.992 9.626 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.149 6.895 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.020 7.173 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.780 8.427 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.379 7.035 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.659 8.474 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.269 9.852 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 27 5.562 9.159 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.368 8.881 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.996 9.012 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.361 9.320 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.250 9.259 -9.453 1.00 0.00 H new ATOM 378 N ARG A 28 -0.105 8.392 -2.471 1.00 0.00 N ATOM 379 CA ARG A 28 -1.354 7.883 -1.944 1.00 0.00 C ATOM 380 C ARG A 28 -1.481 6.414 -2.347 1.00 0.00 C ATOM 381 O ARG A 28 -0.763 5.960 -3.239 1.00 0.00 O ATOM 382 CB ARG A 28 -2.511 8.730 -2.496 1.00 0.00 C ATOM 383 CG ARG A 28 -3.854 8.478 -1.835 1.00 0.00 C ATOM 384 CD ARG A 28 -4.855 9.571 -2.180 1.00 0.00 C ATOM 385 NE ARG A 28 -4.418 10.880 -1.689 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.186 11.970 -1.662 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.443 11.923 -2.087 1.00 0.00 N ATOM 388 NH2 ARG A 28 -4.696 13.105 -1.178 1.00 0.00 N ATOM 0 H ARG A 28 -0.160 8.710 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.383 7.947 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.258 9.784 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.606 8.538 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.243 7.511 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.726 8.428 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.989 9.614 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.825 9.326 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.462 10.964 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.830 11.047 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.022 12.763 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.738 13.139 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.278 13.943 -1.154 1.00 0.00 H new ATOM 402 N ILE A 29 -2.355 5.663 -1.684 1.00 0.00 N ATOM 403 CA ILE A 29 -2.553 4.250 -2.015 1.00 0.00 C ATOM 404 C ILE A 29 -2.887 4.083 -3.498 1.00 0.00 C ATOM 405 O ILE A 29 -2.389 3.170 -4.161 1.00 0.00 O ATOM 406 CB ILE A 29 -3.668 3.617 -1.142 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.213 3.532 0.320 1.00 0.00 C ATOM 408 CG2 ILE A 29 -4.051 2.235 -1.659 1.00 0.00 C ATOM 409 CD1 ILE A 29 -2.039 2.602 0.541 1.00 0.00 C ATOM 0 H ILE A 29 -2.936 6.004 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.619 3.729 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.549 4.256 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.944 4.530 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.050 3.197 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.834 1.815 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.415 2.318 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.178 1.583 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.775 2.594 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.309 1.594 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.186 2.947 -0.044 1.00 0.00 H new ATOM 421 N LYS A 30 -3.696 4.997 -4.016 1.00 0.00 N ATOM 422 CA LYS A 30 -4.091 4.976 -5.418 1.00 0.00 C ATOM 423 C LYS A 30 -2.886 5.188 -6.332 1.00 0.00 C ATOM 424 O LYS A 30 -2.885 4.748 -7.478 1.00 0.00 O ATOM 425 CB LYS A 30 -5.141 6.056 -5.676 1.00 0.00 C ATOM 426 CG LYS A 30 -5.871 5.916 -7.001 1.00 0.00 C ATOM 427 CD LYS A 30 -6.557 4.565 -7.113 1.00 0.00 C ATOM 428 CE LYS A 30 -7.681 4.594 -8.133 1.00 0.00 C ATOM 429 NZ LYS A 30 -8.738 5.566 -7.751 1.00 0.00 N ATOM 0 H LYS A 30 -4.095 5.769 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.516 3.997 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.872 6.035 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.657 7.032 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.611 6.711 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.165 6.037 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.826 3.807 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.955 4.276 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.279 4.858 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.116 3.599 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.674 5.143 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.638 5.810 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.642 6.427 -8.327 1.00 0.00 H new ATOM 443 N ASP A 31 -1.855 5.858 -5.823 1.00 0.00 N ATOM 444 CA ASP A 31 -0.642 6.092 -6.602 1.00 0.00 C ATOM 445 C ASP A 31 0.165 4.817 -6.729 1.00 0.00 C ATOM 446 O ASP A 31 0.615 4.468 -7.812 1.00 0.00 O ATOM 447 CB ASP A 31 0.236 7.180 -5.982 1.00 0.00 C ATOM 448 CG ASP A 31 -0.393 8.552 -6.051 1.00 0.00 C ATOM 449 OD1 ASP A 31 -0.823 8.959 -7.151 1.00 0.00 O ATOM 450 OD2 ASP A 31 -0.432 9.239 -5.012 1.00 0.00 O ATOM 0 H ASP A 31 -1.835 6.246 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.961 6.428 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.436 6.929 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.198 7.200 -6.495 1.00 0.00 H new ATOM 455 N VAL A 32 0.345 4.120 -5.616 1.00 0.00 N ATOM 456 CA VAL A 32 1.126 2.888 -5.609 1.00 0.00 C ATOM 457 C VAL A 32 0.490 1.843 -6.520 1.00 0.00 C ATOM 458 O VAL A 32 1.157 1.266 -7.384 1.00 0.00 O ATOM 459 CB VAL A 32 1.274 2.322 -4.180 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.086 1.032 -4.180 1.00 0.00 C ATOM 461 CG2 VAL A 32 1.918 3.358 -3.272 1.00 0.00 C ATOM 0 H VAL A 32 -0.037 4.384 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 32 2.121 3.128 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 32 0.279 2.089 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.173 0.657 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.586 0.287 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.080 1.228 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.018 2.949 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.904 3.617 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.294 4.251 -3.240 1.00 0.00 H new ATOM 471 N LEU A 33 -0.806 1.623 -6.343 1.00 0.00 N ATOM 472 CA LEU A 33 -1.538 0.696 -7.193 1.00 0.00 C ATOM 473 C LEU A 33 -1.646 1.247 -8.608 1.00 0.00 C ATOM 474 O LEU A 33 -1.702 0.491 -9.575 1.00 0.00 O ATOM 475 CB LEU A 33 -2.938 0.409 -6.626 1.00 0.00 C ATOM 476 CG LEU A 33 -3.007 -0.623 -5.490 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.373 -1.934 -5.922 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.345 -0.101 -4.224 1.00 0.00 C ATOM 0 H LEU A 33 -1.370 2.072 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.985 -0.243 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.361 1.346 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.575 0.065 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.059 -0.801 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.431 -2.653 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.904 -2.327 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.328 -1.764 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.412 -0.856 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.297 0.120 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.851 0.807 -3.897 1.00 0.00 H new ATOM 490 N GLY A 34 -1.653 2.569 -8.718 1.00 0.00 N ATOM 491 CA GLY A 34 -1.749 3.219 -10.011 1.00 0.00 C ATOM 492 C GLY A 34 -0.486 3.059 -10.845 1.00 0.00 C ATOM 493 O GLY A 34 -0.558 2.796 -12.046 1.00 0.00 O ATOM 0 H GLY A 34 -1.593 3.209 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.596 2.805 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.951 4.280 -9.865 1.00 0.00 H new ATOM 497 N GLU A 35 0.672 3.211 -10.210 1.00 0.00 N ATOM 498 CA GLU A 35 1.954 3.097 -10.902 1.00 0.00 C ATOM 499 C GLU A 35 2.217 1.661 -11.337 1.00 0.00 C ATOM 500 O GLU A 35 2.800 1.418 -12.395 1.00 0.00 O ATOM 501 CB GLU A 35 3.098 3.581 -10.008 1.00 0.00 C ATOM 502 CG GLU A 35 3.024 5.060 -9.671 1.00 0.00 C ATOM 503 CD GLU A 35 3.152 5.945 -10.893 1.00 0.00 C ATOM 504 OE1 GLU A 35 2.166 6.071 -11.652 1.00 0.00 O ATOM 505 OE2 GLU A 35 4.232 6.540 -11.091 1.00 0.00 O ATOM 0 H GLU A 35 0.750 3.414 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 35 1.905 3.728 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.093 3.006 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.047 3.377 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.076 5.268 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.816 5.307 -8.964 1.00 0.00 H new ATOM 512 N LEU A 36 1.790 0.714 -10.515 1.00 0.00 N ATOM 513 CA LEU A 36 1.967 -0.697 -10.828 1.00 0.00 C ATOM 514 C LEU A 36 0.822 -1.196 -11.701 1.00 0.00 C ATOM 515 O LEU A 36 0.905 -2.270 -12.291 1.00 0.00 O ATOM 516 CB LEU A 36 2.049 -1.519 -9.539 1.00 0.00 C ATOM 517 CG LEU A 36 3.217 -1.166 -8.615 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.142 -1.975 -7.328 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.549 -1.399 -9.317 1.00 0.00 C ATOM 0 H LEU A 36 1.320 0.896 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 36 2.900 -0.816 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.118 -1.392 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.122 -2.574 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 36 3.145 -0.108 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.980 -1.711 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.206 -1.756 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.186 -3.038 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.366 -1.142 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.631 -2.448 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.605 -0.774 -10.209 1.00 0.00 H new ATOM 531 N GLU A 37 -0.245 -0.397 -11.766 1.00 0.00 N ATOM 532 CA GLU A 37 -1.427 -0.707 -12.572 1.00 0.00 C ATOM 533 C GLU A 37 -2.112 -1.983 -12.065 1.00 0.00 C ATOM 534 O GLU A 37 -2.895 -2.614 -12.773 1.00 0.00 O ATOM 535 CB GLU A 37 -1.046 -0.835 -14.052 1.00 0.00 C ATOM 536 CG GLU A 37 -2.225 -0.695 -14.998 1.00 0.00 C ATOM 537 CD GLU A 37 -1.815 -0.757 -16.452 1.00 0.00 C ATOM 538 OE1 GLU A 37 -1.305 0.256 -16.972 1.00 0.00 O ATOM 539 OE2 GLU A 37 -2.005 -1.814 -17.088 1.00 0.00 O ATOM 0 H GLU A 37 -0.314 0.486 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.138 0.113 -12.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.304 -0.074 -14.295 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.574 -1.804 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.946 -1.487 -14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.729 0.252 -14.807 1.00 0.00 H new ATOM 546 N ILE A 38 -1.829 -2.337 -10.820 1.00 0.00 N ATOM 547 CA ILE A 38 -2.407 -3.524 -10.210 1.00 0.00 C ATOM 548 C ILE A 38 -3.827 -3.229 -9.739 1.00 0.00 C ATOM 549 O ILE A 38 -4.072 -2.206 -9.096 1.00 0.00 O ATOM 550 CB ILE A 38 -1.549 -4.020 -9.022 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.154 -4.426 -9.511 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.225 -5.184 -8.306 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.766 -4.910 -8.408 1.00 0.00 C ATOM 0 H ILE A 38 -1.199 -1.816 -10.210 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.431 -4.312 -10.962 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.447 -3.202 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.256 -5.214 -10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.308 -3.574 -10.009 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.600 -5.513 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.195 -4.863 -7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.364 -6.009 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.733 -5.179 -8.833 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.900 -4.117 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.327 -5.783 -7.925 1.00 0.00 H new ATOM 565 N PRO A 39 -4.782 -4.107 -10.080 1.00 0.00 N ATOM 566 CA PRO A 39 -6.179 -3.939 -9.687 1.00 0.00 C ATOM 567 C PRO A 39 -6.361 -3.990 -8.174 1.00 0.00 C ATOM 568 O PRO A 39 -6.295 -5.057 -7.561 1.00 0.00 O ATOM 569 CB PRO A 39 -6.900 -5.121 -10.344 1.00 0.00 C ATOM 570 CG PRO A 39 -5.957 -5.645 -11.372 1.00 0.00 C ATOM 571 CD PRO A 39 -4.576 -5.322 -10.881 1.00 0.00 C ATOM 0 HA PRO A 39 -6.566 -2.968 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.145 -5.888 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.839 -4.804 -10.799 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.082 -6.720 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.143 -5.183 -12.342 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.161 -6.133 -10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.885 -5.148 -11.706 1.00 0.00 H new ATOM 579 N ILE A 40 -6.584 -2.827 -7.576 1.00 0.00 N ATOM 580 CA ILE A 40 -6.813 -2.724 -6.140 1.00 0.00 C ATOM 581 C ILE A 40 -8.149 -3.373 -5.765 1.00 0.00 C ATOM 582 O ILE A 40 -8.395 -3.715 -4.612 1.00 0.00 O ATOM 583 CB ILE A 40 -6.797 -1.242 -5.688 1.00 0.00 C ATOM 584 CG1 ILE A 40 -6.929 -1.129 -4.165 1.00 0.00 C ATOM 585 CG2 ILE A 40 -7.908 -0.460 -6.382 1.00 0.00 C ATOM 586 CD1 ILE A 40 -6.881 0.294 -3.649 1.00 0.00 C ATOM 0 H ILE A 40 -6.611 -1.934 -8.068 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.008 -3.252 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.838 -0.811 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.870 -1.585 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.128 -1.702 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.882 0.579 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.763 -0.502 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.874 -0.897 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.981 0.291 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.930 0.749 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.698 0.868 -4.087 1.00 0.00 H new ATOM 598 N GLU A 41 -8.991 -3.569 -6.771 1.00 0.00 N ATOM 599 CA GLU A 41 -10.330 -4.110 -6.580 1.00 0.00 C ATOM 600 C GLU A 41 -10.295 -5.551 -6.058 1.00 0.00 C ATOM 601 O GLU A 41 -11.104 -5.931 -5.211 1.00 0.00 O ATOM 602 CB GLU A 41 -11.095 -4.052 -7.907 1.00 0.00 C ATOM 603 CG GLU A 41 -12.535 -4.536 -7.823 1.00 0.00 C ATOM 604 CD GLU A 41 -13.384 -3.697 -6.891 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.712 -2.547 -7.250 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.732 -4.182 -5.795 1.00 0.00 O ATOM 0 H GLU A 41 -8.765 -3.357 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.836 -3.503 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.090 -3.024 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.565 -4.654 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.976 -4.523 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.546 -5.572 -7.483 1.00 0.00 H new ATOM 613 N THR A 42 -9.348 -6.341 -6.540 1.00 0.00 N ATOM 614 CA THR A 42 -9.355 -7.772 -6.262 1.00 0.00 C ATOM 615 C THR A 42 -8.670 -8.122 -4.935 1.00 0.00 C ATOM 616 O THR A 42 -8.762 -9.258 -4.474 1.00 0.00 O ATOM 617 CB THR A 42 -8.710 -8.572 -7.419 1.00 0.00 C ATOM 618 OG1 THR A 42 -8.814 -9.983 -7.174 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.248 -8.191 -7.602 1.00 0.00 C ATOM 0 H THR A 42 -8.572 -6.022 -7.120 1.00 0.00 H new ATOM 0 HA THR A 42 -10.403 -8.058 -6.174 1.00 0.00 H new ATOM 0 HB THR A 42 -9.250 -8.325 -8.333 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.953 -10.139 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.821 -8.769 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.175 -7.128 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.699 -8.403 -6.684 1.00 0.00 H new ATOM 627 N VAL A 43 -7.993 -7.162 -4.312 1.00 0.00 N ATOM 628 CA VAL A 43 -7.320 -7.430 -3.041 1.00 0.00 C ATOM 629 C VAL A 43 -7.658 -6.361 -2.003 1.00 0.00 C ATOM 630 O VAL A 43 -8.256 -5.339 -2.329 1.00 0.00 O ATOM 631 CB VAL A 43 -5.784 -7.549 -3.200 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.423 -8.668 -4.165 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.165 -6.242 -3.662 1.00 0.00 C ATOM 0 H VAL A 43 -7.895 -6.207 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.691 -8.394 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.377 -7.787 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.339 -8.731 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.810 -9.614 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.861 -8.462 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.087 -6.365 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.589 -5.959 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.375 -5.462 -2.931 1.00 0.00 H new ATOM 643 N VAL A 44 -7.288 -6.608 -0.751 1.00 0.00 N ATOM 644 CA VAL A 44 -7.618 -5.698 0.342 1.00 0.00 C ATOM 645 C VAL A 44 -6.382 -4.937 0.815 1.00 0.00 C ATOM 646 O VAL A 44 -5.317 -5.521 1.001 1.00 0.00 O ATOM 647 CB VAL A 44 -8.239 -6.462 1.534 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.656 -5.505 2.642 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.424 -7.298 1.073 1.00 0.00 C ATOM 0 H VAL A 44 -6.758 -7.432 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.348 -4.985 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.479 -7.131 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.089 -6.070 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.783 -4.957 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.394 -4.802 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.848 -7.829 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.181 -6.646 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.092 -8.019 0.326 1.00 0.00 H new ATOM 659 N VAL A 45 -6.532 -3.632 1.008 1.00 0.00 N ATOM 660 CA VAL A 45 -5.429 -2.793 1.453 1.00 0.00 C ATOM 661 C VAL A 45 -5.639 -2.346 2.899 1.00 0.00 C ATOM 662 O VAL A 45 -6.730 -1.917 3.278 1.00 0.00 O ATOM 663 CB VAL A 45 -5.268 -1.551 0.547 1.00 0.00 C ATOM 664 CG1 VAL A 45 -4.093 -0.694 0.999 1.00 0.00 C ATOM 665 CG2 VAL A 45 -5.093 -1.965 -0.907 1.00 0.00 C ATOM 0 H VAL A 45 -7.409 -3.132 0.863 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.519 -3.390 1.390 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.177 -0.955 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.002 0.173 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.259 -0.360 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.176 -1.281 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.981 -1.076 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.204 -2.589 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.968 -2.527 -1.233 1.00 0.00 H new ATOM 675 N LYS A 46 -4.594 -2.468 3.702 1.00 0.00 N ATOM 676 CA LYS A 46 -4.635 -2.037 5.091 1.00 0.00 C ATOM 677 C LYS A 46 -3.613 -0.939 5.356 1.00 0.00 C ATOM 678 O LYS A 46 -2.532 -0.926 4.764 1.00 0.00 O ATOM 679 CB LYS A 46 -4.343 -3.207 6.026 1.00 0.00 C ATOM 680 CG LYS A 46 -5.549 -4.039 6.412 1.00 0.00 C ATOM 681 CD LYS A 46 -5.148 -5.109 7.412 1.00 0.00 C ATOM 682 CE LYS A 46 -6.349 -5.772 8.061 1.00 0.00 C ATOM 683 NZ LYS A 46 -5.937 -6.696 9.150 1.00 0.00 N ATOM 0 H LYS A 46 -3.700 -2.865 3.413 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.637 -1.652 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.610 -3.858 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.883 -2.819 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.319 -3.399 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.979 -4.503 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.546 -5.866 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.520 -4.664 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.015 -5.008 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.913 -6.323 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.781 -7.133 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.321 -7.438 8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.420 -6.164 9.879 1.00 0.00 H new ATOM 697 N LYS A 47 -3.963 -0.030 6.253 1.00 0.00 N ATOM 698 CA LYS A 47 -3.038 0.986 6.730 1.00 0.00 C ATOM 699 C LYS A 47 -2.808 0.824 8.224 1.00 0.00 C ATOM 700 O LYS A 47 -3.675 1.162 9.033 1.00 0.00 O ATOM 701 CB LYS A 47 -3.559 2.394 6.432 1.00 0.00 C ATOM 702 CG LYS A 47 -3.405 2.812 4.979 1.00 0.00 C ATOM 703 CD LYS A 47 -1.950 2.806 4.546 1.00 0.00 C ATOM 704 CE LYS A 47 -1.529 4.161 4.005 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.536 5.206 5.062 1.00 0.00 N ATOM 0 H LYS A 47 -4.893 0.024 6.669 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.093 0.855 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.613 2.446 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.030 3.108 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.977 2.136 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.822 3.810 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.318 2.538 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.799 2.044 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.530 4.086 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.201 4.455 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.929 6.088 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.121 4.888 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.564 5.374 5.390 1.00 0.00 H new ATOM 719 N ASN A 48 -1.656 0.259 8.572 1.00 0.00 N ATOM 720 CA ASN A 48 -1.237 0.088 9.964 1.00 0.00 C ATOM 721 C ASN A 48 -2.127 -0.932 10.683 1.00 0.00 C ATOM 722 O ASN A 48 -2.009 -1.139 11.890 1.00 0.00 O ATOM 723 CB ASN A 48 -1.255 1.446 10.690 1.00 0.00 C ATOM 724 CG ASN A 48 -0.493 1.439 12.006 1.00 0.00 C ATOM 725 OD1 ASN A 48 -1.053 1.152 13.061 1.00 0.00 O ATOM 726 ND2 ASN A 48 0.789 1.768 11.952 1.00 0.00 N ATOM 0 H ASN A 48 -0.981 -0.096 7.894 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.218 -0.298 9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.827 2.205 10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.289 1.734 10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.346 1.789 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.219 2.000 11.057 1.00 0.00 H new ATOM 733 N GLY A 49 -2.994 -1.597 9.929 1.00 0.00 N ATOM 734 CA GLY A 49 -3.898 -2.559 10.521 1.00 0.00 C ATOM 735 C GLY A 49 -5.345 -2.317 10.143 1.00 0.00 C ATOM 736 O GLY A 49 -6.155 -3.243 10.149 1.00 0.00 O ATOM 0 H GLY A 49 -3.086 -1.486 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.609 -3.562 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.800 -2.523 11.606 1.00 0.00 H new ATOM 740 N GLN A 50 -5.673 -1.079 9.805 1.00 0.00 N ATOM 741 CA GLN A 50 -7.046 -0.727 9.461 1.00 0.00 C ATOM 742 C GLN A 50 -7.315 -0.949 7.980 1.00 0.00 C ATOM 743 O GLN A 50 -6.449 -0.703 7.144 1.00 0.00 O ATOM 744 CB GLN A 50 -7.336 0.728 9.824 1.00 0.00 C ATOM 745 CG GLN A 50 -7.532 0.957 11.311 1.00 0.00 C ATOM 746 CD GLN A 50 -7.885 2.395 11.643 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.496 3.102 10.842 1.00 0.00 O ATOM 748 NE2 GLN A 50 -7.507 2.835 12.830 1.00 0.00 N ATOM 0 H GLN A 50 -5.012 -0.303 9.761 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.706 -1.377 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.513 1.352 9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.231 1.054 9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.323 0.300 11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.620 0.680 11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.002 2.217 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.720 3.792 13.111 1.00 0.00 H new ATOM 757 N ILE A 51 -8.515 -1.418 7.662 1.00 0.00 N ATOM 758 CA ILE A 51 -8.919 -1.613 6.276 1.00 0.00 C ATOM 759 C ILE A 51 -9.291 -0.264 5.681 1.00 0.00 C ATOM 760 O ILE A 51 -10.204 0.404 6.171 1.00 0.00 O ATOM 761 CB ILE A 51 -10.117 -2.590 6.142 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.735 -4.011 6.576 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.641 -2.607 4.714 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.659 -4.205 8.077 1.00 0.00 C ATOM 0 H ILE A 51 -9.227 -1.671 8.347 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.081 -2.057 5.739 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.905 -2.232 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.463 -4.711 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.769 -4.265 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.481 -3.298 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.971 -1.606 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.848 -2.929 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.383 -5.236 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.909 -3.532 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.630 -3.986 8.522 1.00 0.00 H new ATOM 776 N VAL A 52 -8.587 0.139 4.639 1.00 0.00 N ATOM 777 CA VAL A 52 -8.718 1.488 4.115 1.00 0.00 C ATOM 778 C VAL A 52 -9.063 1.495 2.632 1.00 0.00 C ATOM 779 O VAL A 52 -9.179 0.444 2.002 1.00 0.00 O ATOM 780 CB VAL A 52 -7.424 2.293 4.326 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.135 2.466 5.809 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.255 1.617 3.624 1.00 0.00 C ATOM 0 H VAL A 52 -7.919 -0.447 4.139 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.535 1.952 4.667 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.560 3.282 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.216 3.038 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.961 2.997 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.020 1.487 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.348 2.200 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.118 0.614 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.461 1.552 2.556 1.00 0.00 H new ATOM 792 N ILE A 53 -9.226 2.696 2.089 1.00 0.00 N ATOM 793 CA ILE A 53 -9.521 2.870 0.675 1.00 0.00 C ATOM 794 C ILE A 53 -8.296 3.398 -0.069 1.00 0.00 C ATOM 795 O ILE A 53 -7.217 3.537 0.510 1.00 0.00 O ATOM 796 CB ILE A 53 -10.709 3.837 0.456 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.437 5.185 1.134 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.998 3.216 0.980 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.515 6.216 0.890 1.00 0.00 C ATOM 0 H ILE A 53 -9.158 3.569 2.613 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.794 1.891 0.280 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.823 4.014 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.334 5.027 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.485 5.576 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.826 3.907 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.195 2.284 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.897 3.012 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.254 7.143 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.604 6.403 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.466 5.846 1.274 1.00 0.00 H new ATOM 811 N ASP A 54 -8.480 3.713 -1.343 1.00 0.00 N ATOM 812 CA ASP A 54 -7.384 4.150 -2.207 1.00 0.00 C ATOM 813 C ASP A 54 -7.012 5.607 -1.943 1.00 0.00 C ATOM 814 O ASP A 54 -5.941 6.062 -2.346 1.00 0.00 O ATOM 815 CB ASP A 54 -7.769 3.969 -3.681 1.00 0.00 C ATOM 816 CG ASP A 54 -8.968 4.810 -4.081 1.00 0.00 C ATOM 817 OD1 ASP A 54 -10.012 4.719 -3.403 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.872 5.566 -5.070 1.00 0.00 O ATOM 0 H ASP A 54 -9.387 3.674 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.515 3.533 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.919 4.234 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.989 2.918 -3.868 1.00 0.00 H new ATOM 823 N GLU A 55 -7.886 6.330 -1.249 1.00 0.00 N ATOM 824 CA GLU A 55 -7.655 7.742 -0.961 1.00 0.00 C ATOM 825 C GLU A 55 -6.788 7.929 0.282 1.00 0.00 C ATOM 826 O GLU A 55 -6.569 9.054 0.734 1.00 0.00 O ATOM 827 CB GLU A 55 -8.985 8.476 -0.782 1.00 0.00 C ATOM 828 CG GLU A 55 -9.820 8.550 -2.047 1.00 0.00 C ATOM 829 CD GLU A 55 -9.172 9.381 -3.140 1.00 0.00 C ATOM 830 OE1 GLU A 55 -8.123 10.011 -2.890 1.00 0.00 O ATOM 831 OE2 GLU A 55 -9.724 9.425 -4.257 1.00 0.00 O ATOM 0 H GLU A 55 -8.761 5.961 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.121 8.165 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.563 7.976 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.786 9.488 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.993 7.541 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.796 8.973 -1.807 1.00 0.00 H new ATOM 838 N GLU A 56 -6.295 6.832 0.836 1.00 0.00 N ATOM 839 CA GLU A 56 -5.403 6.906 1.983 1.00 0.00 C ATOM 840 C GLU A 56 -3.986 7.217 1.539 1.00 0.00 C ATOM 841 O GLU A 56 -3.440 6.554 0.659 1.00 0.00 O ATOM 842 CB GLU A 56 -5.434 5.606 2.781 1.00 0.00 C ATOM 843 CG GLU A 56 -6.629 5.505 3.705 1.00 0.00 C ATOM 844 CD GLU A 56 -6.636 6.608 4.741 1.00 0.00 C ATOM 845 OE1 GLU A 56 -5.896 6.497 5.739 1.00 0.00 O ATOM 846 OE2 GLU A 56 -7.376 7.596 4.561 1.00 0.00 O ATOM 0 H GLU A 56 -6.496 5.886 0.513 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.751 7.713 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.444 4.763 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.520 5.526 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.546 5.552 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.620 4.537 4.206 1.00 0.00 H new ATOM 853 N GLU A 57 -3.398 8.234 2.136 1.00 0.00 N ATOM 854 CA GLU A 57 -2.057 8.649 1.772 1.00 0.00 C ATOM 855 C GLU A 57 -1.024 7.896 2.597 1.00 0.00 C ATOM 856 O GLU A 57 -1.282 7.533 3.744 1.00 0.00 O ATOM 857 CB GLU A 57 -1.905 10.154 1.960 1.00 0.00 C ATOM 858 CG GLU A 57 -2.987 10.941 1.246 1.00 0.00 C ATOM 859 CD GLU A 57 -2.739 12.430 1.262 1.00 0.00 C ATOM 860 OE1 GLU A 57 -2.922 13.055 2.326 1.00 0.00 O ATOM 861 OE2 GLU A 57 -2.366 12.978 0.204 1.00 0.00 O ATOM 0 H GLU A 57 -3.828 8.789 2.876 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.890 8.413 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.932 10.388 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.929 10.466 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.055 10.600 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.949 10.733 1.714 1.00 0.00 H new ATOM 868 N ILE A 58 0.131 7.649 2.005 1.00 0.00 N ATOM 869 CA ILE A 58 1.179 6.891 2.666 1.00 0.00 C ATOM 870 C ILE A 58 2.249 7.829 3.203 1.00 0.00 C ATOM 871 O ILE A 58 2.871 8.579 2.445 1.00 0.00 O ATOM 872 CB ILE A 58 1.830 5.876 1.707 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.756 5.054 0.995 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.769 4.960 2.473 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.315 4.008 0.057 1.00 0.00 C ATOM 0 H ILE A 58 0.368 7.964 1.064 1.00 0.00 H new ATOM 0 HA ILE A 58 0.719 6.345 3.490 1.00 0.00 H new ATOM 0 HB ILE A 58 2.404 6.422 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.132 4.563 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.110 5.727 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.223 4.247 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.550 5.554 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.209 4.421 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.495 3.464 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.916 4.493 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.938 3.312 0.618 1.00 0.00 H new ATOM 887 N PHE A 59 2.452 7.792 4.509 1.00 0.00 N ATOM 888 CA PHE A 59 3.423 8.661 5.150 1.00 0.00 C ATOM 889 C PHE A 59 4.725 7.911 5.409 1.00 0.00 C ATOM 890 O PHE A 59 4.796 6.695 5.234 1.00 0.00 O ATOM 891 CB PHE A 59 2.857 9.214 6.460 1.00 0.00 C ATOM 892 CG PHE A 59 1.599 10.013 6.276 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.652 11.316 5.811 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.361 9.458 6.564 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.497 12.052 5.637 1.00 0.00 C ATOM 896 CE2 PHE A 59 -0.797 10.190 6.391 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.730 11.488 5.928 1.00 0.00 C ATOM 0 H PHE A 59 1.957 7.169 5.146 1.00 0.00 H new ATOM 0 HA PHE A 59 3.634 9.495 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.656 8.385 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.610 9.841 6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.608 11.762 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.302 8.443 6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.553 13.068 5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.755 9.746 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.635 12.062 5.793 1.00 0.00 H new ATOM 907 N ASP A 60 5.756 8.637 5.812 1.00 0.00 N ATOM 908 CA ASP A 60 7.046 8.028 6.115 1.00 0.00 C ATOM 909 C ASP A 60 6.962 7.202 7.391 1.00 0.00 C ATOM 910 O ASP A 60 6.737 7.739 8.478 1.00 0.00 O ATOM 911 CB ASP A 60 8.130 9.098 6.253 1.00 0.00 C ATOM 912 CG ASP A 60 9.460 8.518 6.697 1.00 0.00 C ATOM 913 OD1 ASP A 60 10.032 7.685 5.961 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.938 8.889 7.790 1.00 0.00 O ATOM 0 H ASP A 60 5.727 9.649 5.938 1.00 0.00 H new ATOM 0 HA ASP A 60 7.311 7.369 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.259 9.606 5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.806 9.850 6.973 1.00 0.00 H new ATOM 919 N GLY A 61 7.137 5.898 7.252 1.00 0.00 N ATOM 920 CA GLY A 61 7.024 5.005 8.383 1.00 0.00 C ATOM 921 C GLY A 61 5.691 4.293 8.402 1.00 0.00 C ATOM 922 O GLY A 61 5.333 3.656 9.393 1.00 0.00 O ATOM 0 H GLY A 61 7.357 5.440 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.828 4.270 8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.148 5.570 9.307 1.00 0.00 H new ATOM 926 N ASP A 62 4.959 4.397 7.298 1.00 0.00 N ATOM 927 CA ASP A 62 3.631 3.800 7.192 1.00 0.00 C ATOM 928 C ASP A 62 3.743 2.285 7.029 1.00 0.00 C ATOM 929 O ASP A 62 4.798 1.766 6.653 1.00 0.00 O ATOM 930 CB ASP A 62 2.882 4.400 5.999 1.00 0.00 C ATOM 931 CG ASP A 62 1.381 4.473 6.201 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.746 3.427 6.448 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.822 5.585 6.084 1.00 0.00 O ATOM 0 H ASP A 62 5.264 4.892 6.460 1.00 0.00 H new ATOM 0 HA ASP A 62 3.076 4.014 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.264 5.403 5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.092 3.804 5.111 1.00 0.00 H new ATOM 938 N ILE A 63 2.656 1.583 7.307 1.00 0.00 N ATOM 939 CA ILE A 63 2.632 0.127 7.226 1.00 0.00 C ATOM 940 C ILE A 63 1.453 -0.325 6.368 1.00 0.00 C ATOM 941 O ILE A 63 0.299 -0.154 6.754 1.00 0.00 O ATOM 942 CB ILE A 63 2.518 -0.527 8.628 1.00 0.00 C ATOM 943 CG1 ILE A 63 3.680 -0.103 9.540 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.467 -2.046 8.509 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.052 -0.465 9.015 1.00 0.00 C ATOM 0 H ILE A 63 1.770 2.000 7.593 1.00 0.00 H new ATOM 0 HA ILE A 63 3.572 -0.191 6.776 1.00 0.00 H new ATOM 0 HB ILE A 63 1.590 -0.179 9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.634 0.976 9.688 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.545 -0.565 10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.387 -2.486 9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.601 -2.335 7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.376 -2.404 8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.812 -0.129 9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.122 -1.546 8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.212 0.019 8.051 1.00 0.00 H new ATOM 957 N ILE A 64 1.737 -0.881 5.203 1.00 0.00 N ATOM 958 CA ILE A 64 0.685 -1.311 4.296 1.00 0.00 C ATOM 959 C ILE A 64 0.613 -2.834 4.239 1.00 0.00 C ATOM 960 O ILE A 64 1.580 -3.506 3.871 1.00 0.00 O ATOM 961 CB ILE A 64 0.872 -0.741 2.863 1.00 0.00 C ATOM 962 CG1 ILE A 64 0.602 0.771 2.823 1.00 0.00 C ATOM 963 CG2 ILE A 64 -0.045 -1.452 1.875 1.00 0.00 C ATOM 964 CD1 ILE A 64 1.677 1.619 3.467 1.00 0.00 C ATOM 0 H ILE A 64 2.684 -1.045 4.863 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.251 -0.917 4.691 1.00 0.00 H new ATOM 0 HB ILE A 64 1.909 -0.915 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.488 1.079 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.347 0.971 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.103 -1.037 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.189 -2.517 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.083 -1.312 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.403 2.671 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.778 1.344 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.626 1.454 2.956 1.00 0.00 H new ATOM 976 N GLU A 65 -0.530 -3.370 4.625 1.00 0.00 N ATOM 977 CA GLU A 65 -0.761 -4.802 4.561 1.00 0.00 C ATOM 978 C GLU A 65 -1.702 -5.114 3.402 1.00 0.00 C ATOM 979 O GLU A 65 -2.870 -4.726 3.427 1.00 0.00 O ATOM 980 CB GLU A 65 -1.364 -5.312 5.874 1.00 0.00 C ATOM 981 CG GLU A 65 -0.505 -5.045 7.098 1.00 0.00 C ATOM 982 CD GLU A 65 -1.196 -5.460 8.381 1.00 0.00 C ATOM 983 OE1 GLU A 65 -1.918 -4.625 8.967 1.00 0.00 O ATOM 984 OE2 GLU A 65 -1.033 -6.625 8.803 1.00 0.00 O ATOM 0 H GLU A 65 -1.317 -2.832 4.988 1.00 0.00 H new ATOM 0 HA GLU A 65 0.193 -5.305 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.338 -4.845 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.534 -6.385 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.437 -5.584 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.261 -3.984 7.145 1.00 0.00 H new ATOM 991 N VAL A 66 -1.194 -5.788 2.378 1.00 0.00 N ATOM 992 CA VAL A 66 -2.019 -6.135 1.231 1.00 0.00 C ATOM 993 C VAL A 66 -2.533 -7.559 1.359 1.00 0.00 C ATOM 994 O VAL A 66 -1.787 -8.528 1.211 1.00 0.00 O ATOM 995 CB VAL A 66 -1.267 -5.957 -0.107 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.081 -6.511 -1.272 1.00 0.00 C ATOM 997 CG2 VAL A 66 -0.955 -4.489 -0.336 1.00 0.00 C ATOM 0 H VAL A 66 -0.225 -6.102 2.319 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.864 -5.446 1.223 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.333 -6.517 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.528 -6.372 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.265 -7.574 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.033 -5.983 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.425 -4.373 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.884 -3.920 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.331 -4.118 0.478 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.813 -7.672 1.653 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.448 -8.961 1.818 1.00 0.00 C ATOM 1009 C ILE A 67 -5.072 -9.409 0.504 1.00 0.00 C ATOM 1010 O ILE A 67 -6.194 -9.026 0.170 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.533 -8.927 2.916 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.948 -8.392 4.225 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -6.123 -10.317 3.125 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.974 -8.219 5.323 1.00 0.00 C ATOM 0 H ILE A 67 -4.438 -6.877 1.783 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.677 -9.669 2.123 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.332 -8.259 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.170 -9.073 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.469 -7.432 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.886 -10.275 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.571 -10.666 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.334 -11.005 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.486 -7.837 6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.740 -7.514 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.437 -9.181 5.544 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.318 -10.172 -0.264 1.00 0.00 N ATOM 1027 CA ARG A 68 -4.850 -10.780 -1.469 1.00 0.00 C ATOM 1028 C ARG A 68 -5.825 -11.886 -1.092 1.00 0.00 C ATOM 1029 O ARG A 68 -5.592 -12.630 -0.137 1.00 0.00 O ATOM 1030 CB ARG A 68 -3.719 -11.293 -2.373 1.00 0.00 C ATOM 1031 CG ARG A 68 -2.592 -12.019 -1.654 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.654 -13.520 -1.873 1.00 0.00 C ATOM 1033 NE ARG A 68 -3.480 -14.205 -0.874 1.00 0.00 N ATOM 1034 CZ ARG A 68 -3.183 -15.400 -0.353 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -2.079 -16.042 -0.718 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -3.993 -15.956 0.543 1.00 0.00 N ATOM 0 H ARG A 68 -3.338 -10.385 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.392 -10.028 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.147 -11.966 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.297 -10.447 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.633 -11.640 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.646 -11.805 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.052 -13.722 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.644 -13.929 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.332 -13.742 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.448 -15.624 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.862 -16.953 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.842 -15.471 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.765 -16.868 0.940 1.00 0.00 H new