USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -111:sc= -3.9! (180deg=-10.8!) USER MOD Set 1.2: A 47 THR OG1 : rot -170:sc= -0.307 USER MOD Set 2.1: A 23 ASN : amide:sc= -4.38! C(o=-9.4!,f=-15!) USER MOD Set 2.2: A 24 GLN :FLIP amide:sc= -4.99! C(o=-11!,f=-9.4!) USER MOD Single : A 10 HIS : no HD1:sc= -2.97 X(o=-3,f=-2.5) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -173:sc= -0.904 (180deg=-1.01) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.08 X(o=-0.08,f=-0.076) USER MOD Single : A 39 ASN : amide:sc= 0.161 K(o=0.16,f=-7.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -80:sc= -2.68! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 25:sc= -0.606 USER MOD Single : A 59 MET CE :methyl -135:sc= -2.43! (180deg=-3.21!) USER MOD Single : A 60 ASN : amide:sc= -0.0652 X(o=-0.065,f=-0.44) USER MOD Single : A 62 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.39) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.212 -1.835 -7.340 1.00 0.00 N ATOM 60 CA GLY A 7 -2.210 -0.913 -7.846 1.00 0.00 C ATOM 61 C GLY A 7 -1.114 -0.670 -6.807 1.00 0.00 C ATOM 62 O GLY A 7 -0.810 0.476 -6.476 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.769 -1.315 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.682 0.033 -8.110 1.00 0.00 H new ATOM 66 N LEU A 8 -0.550 -1.766 -6.320 1.00 0.00 N ATOM 67 CA LEU A 8 0.505 -1.686 -5.325 1.00 0.00 C ATOM 68 C LEU A 8 1.728 -2.461 -5.820 1.00 0.00 C ATOM 69 O LEU A 8 2.845 -1.948 -5.793 1.00 0.00 O ATOM 70 CB LEU A 8 -0.008 -2.152 -3.961 1.00 0.00 C ATOM 71 CG LEU A 8 -0.687 -1.086 -3.099 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.017 -0.649 -3.714 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.853 -1.571 -1.657 1.00 0.00 C ATOM 0 H LEU A 8 -0.804 -2.714 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 8 0.818 -0.651 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.715 -2.966 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.832 -2.563 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.042 -0.208 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.479 0.109 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.840 -0.235 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.681 -1.509 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.338 -0.795 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.466 -2.473 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.126 -1.792 -1.232 1.00 0.00 H new ATOM 85 N ASP A 9 1.474 -3.684 -6.261 1.00 0.00 N ATOM 86 CA ASP A 9 2.539 -4.536 -6.761 1.00 0.00 C ATOM 87 C ASP A 9 3.416 -3.734 -7.726 1.00 0.00 C ATOM 88 O ASP A 9 4.620 -3.967 -7.816 1.00 0.00 O ATOM 89 CB ASP A 9 1.974 -5.736 -7.523 1.00 0.00 C ATOM 90 CG ASP A 9 0.849 -6.485 -6.806 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.194 -5.842 -6.559 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.058 -7.684 -6.521 1.00 0.00 O ATOM 0 H ASP A 9 0.545 -4.105 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 9 3.116 -4.891 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.604 -5.392 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.786 -6.435 -7.723 1.00 0.00 H new ATOM 97 N HIS A 10 2.777 -2.806 -8.423 1.00 0.00 N ATOM 98 CA HIS A 10 3.484 -1.968 -9.377 1.00 0.00 C ATOM 99 C HIS A 10 4.172 -0.818 -8.640 1.00 0.00 C ATOM 100 O HIS A 10 5.288 -0.433 -8.986 1.00 0.00 O ATOM 101 CB HIS A 10 2.539 -1.484 -10.479 1.00 0.00 C ATOM 102 CG HIS A 10 1.774 -0.231 -10.126 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.736 -0.219 -9.211 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.908 1.051 -10.574 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.273 1.019 -9.120 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.000 1.804 -9.966 1.00 0.00 N ATOM 0 H HIS A 10 1.778 -2.616 -8.346 1.00 0.00 H new ATOM 0 HA HIS A 10 4.260 -2.551 -9.873 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.117 -1.301 -11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.829 -2.278 -10.709 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.630 1.394 -11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.538 1.349 -8.487 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.868 2.805 -10.108 1.00 0.00 H new ATOM 114 N ILE A 11 3.479 -0.302 -7.636 1.00 0.00 N ATOM 115 CA ILE A 11 4.010 0.797 -6.847 1.00 0.00 C ATOM 116 C ILE A 11 5.426 0.449 -6.384 1.00 0.00 C ATOM 117 O ILE A 11 5.728 -0.714 -6.118 1.00 0.00 O ATOM 118 CB ILE A 11 3.056 1.143 -5.701 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.922 2.048 -6.186 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.815 1.756 -4.522 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.026 2.476 -5.022 1.00 0.00 C ATOM 0 H ILE A 11 2.554 -0.624 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 11 4.085 1.700 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 11 2.600 0.219 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.339 2.930 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.327 1.523 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.114 1.993 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.556 1.045 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.316 2.668 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.228 3.119 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.592 1.593 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.619 3.022 -4.288 1.00 0.00 H new ATOM 133 N THR A 12 6.257 1.477 -6.302 1.00 0.00 N ATOM 134 CA THR A 12 7.634 1.295 -5.877 1.00 0.00 C ATOM 135 C THR A 12 7.865 1.960 -4.518 1.00 0.00 C ATOM 136 O THR A 12 7.320 3.028 -4.245 1.00 0.00 O ATOM 137 CB THR A 12 8.546 1.835 -6.980 1.00 0.00 C ATOM 138 OG1 THR A 12 7.901 1.440 -8.188 1.00 0.00 O ATOM 139 CG2 THR A 12 9.897 1.119 -7.027 1.00 0.00 C ATOM 0 H THR A 12 6.003 2.440 -6.523 1.00 0.00 H new ATOM 0 HA THR A 12 7.866 0.240 -5.732 1.00 0.00 H new ATOM 0 HB THR A 12 8.707 2.902 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.425 1.751 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.505 1.541 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.411 1.248 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.739 0.057 -7.213 1.00 0.00 H new ATOM 147 N VAL A 13 8.673 1.300 -3.702 1.00 0.00 N ATOM 148 CA VAL A 13 8.983 1.813 -2.378 1.00 0.00 C ATOM 149 C VAL A 13 10.487 2.076 -2.277 1.00 0.00 C ATOM 150 O VAL A 13 11.294 1.171 -2.480 1.00 0.00 O ATOM 151 CB VAL A 13 8.472 0.846 -1.309 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.822 1.345 0.094 1.00 0.00 C ATOM 153 CG2 VAL A 13 6.966 0.618 -1.450 1.00 0.00 C ATOM 0 H VAL A 13 9.123 0.414 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 13 8.475 2.762 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 13 8.971 -0.112 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.447 0.639 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.904 1.431 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.364 2.320 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.629 -0.073 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.442 1.568 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.752 0.197 -2.432 1.00 0.00 H new ATOM 163 N VAL A 14 10.818 3.320 -1.963 1.00 0.00 N ATOM 164 CA VAL A 14 12.210 3.714 -1.833 1.00 0.00 C ATOM 165 C VAL A 14 12.789 3.109 -0.552 1.00 0.00 C ATOM 166 O VAL A 14 12.442 3.530 0.550 1.00 0.00 O ATOM 167 CB VAL A 14 12.330 5.239 -1.880 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.636 5.707 -1.236 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.211 5.753 -3.316 1.00 0.00 C ATOM 0 H VAL A 14 10.146 4.068 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 14 12.795 3.329 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 14 11.505 5.658 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.696 6.794 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.663 5.387 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.481 5.274 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.300 6.839 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.006 5.321 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.243 5.466 -3.726 1.00 0.00 H new ATOM 179 N THR A 15 13.661 2.130 -0.740 1.00 0.00 N ATOM 180 CA THR A 15 14.292 1.462 0.386 1.00 0.00 C ATOM 181 C THR A 15 15.770 1.846 0.474 1.00 0.00 C ATOM 182 O THR A 15 16.243 2.688 -0.287 1.00 0.00 O ATOM 183 CB THR A 15 14.062 -0.043 0.232 1.00 0.00 C ATOM 184 OG1 THR A 15 14.492 -0.325 -1.096 1.00 0.00 O ATOM 185 CG2 THR A 15 12.577 -0.412 0.230 1.00 0.00 C ATOM 0 H THR A 15 13.946 1.783 -1.656 1.00 0.00 H new ATOM 0 HA THR A 15 13.851 1.777 1.331 1.00 0.00 H new ATOM 0 HB THR A 15 14.565 -0.572 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.379 -1.281 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.470 -1.491 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.123 -0.098 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.079 0.090 -0.599 1.00 0.00 H new ATOM 193 N ALA A 16 16.459 1.209 1.410 1.00 0.00 N ATOM 194 CA ALA A 16 17.874 1.473 1.608 1.00 0.00 C ATOM 195 C ALA A 16 18.620 1.241 0.292 1.00 0.00 C ATOM 196 O ALA A 16 19.161 2.179 -0.292 1.00 0.00 O ATOM 197 CB ALA A 16 18.404 0.593 2.741 1.00 0.00 C ATOM 0 H ALA A 16 16.063 0.511 2.039 1.00 0.00 H new ATOM 0 HA ALA A 16 18.034 2.511 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.466 0.791 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.861 0.816 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.263 -0.457 2.483 1.00 0.00 H new ATOM 203 N ASP A 17 18.625 -0.013 -0.136 1.00 0.00 N ATOM 204 CA ASP A 17 19.296 -0.380 -1.371 1.00 0.00 C ATOM 205 C ASP A 17 19.024 0.690 -2.431 1.00 0.00 C ATOM 206 O ASP A 17 19.955 1.274 -2.982 1.00 0.00 O ATOM 207 CB ASP A 17 18.776 -1.716 -1.904 1.00 0.00 C ATOM 208 CG ASP A 17 19.728 -2.900 -1.721 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.947 -2.678 -1.887 1.00 0.00 O ATOM 210 OD2 ASP A 17 19.216 -3.999 -1.419 1.00 0.00 O ATOM 0 H ASP A 17 18.175 -0.788 0.351 1.00 0.00 H new ATOM 0 HA ASP A 17 20.363 -0.465 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.834 -1.946 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.557 -1.606 -2.966 1.00 0.00 H new ATOM 215 N GLY A 18 17.743 0.914 -2.684 1.00 0.00 N ATOM 216 CA GLY A 18 17.336 1.903 -3.668 1.00 0.00 C ATOM 217 C GLY A 18 15.816 1.912 -3.841 1.00 0.00 C ATOM 218 O GLY A 18 15.099 2.496 -3.030 1.00 0.00 O ATOM 0 H GLY A 18 16.973 0.428 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.676 2.891 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.813 1.687 -4.624 1.00 0.00 H new ATOM 222 N LYS A 19 15.369 1.257 -4.902 1.00 0.00 N ATOM 223 CA LYS A 19 13.947 1.183 -5.191 1.00 0.00 C ATOM 224 C LYS A 19 13.548 -0.280 -5.395 1.00 0.00 C ATOM 225 O LYS A 19 14.303 -1.058 -5.977 1.00 0.00 O ATOM 226 CB LYS A 19 13.592 2.087 -6.374 1.00 0.00 C ATOM 227 CG LYS A 19 12.686 3.238 -5.931 1.00 0.00 C ATOM 228 CD LYS A 19 11.716 3.632 -7.046 1.00 0.00 C ATOM 229 CE LYS A 19 11.981 5.061 -7.525 1.00 0.00 C ATOM 230 NZ LYS A 19 12.995 5.066 -8.604 1.00 0.00 N ATOM 0 H LYS A 19 15.966 0.773 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 19 13.367 1.558 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.504 2.487 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.092 1.502 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.126 2.944 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.295 4.098 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.817 2.940 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.690 3.550 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.055 5.508 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.326 5.672 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.163 6.043 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.883 4.659 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.652 4.499 -9.406 1.00 0.00 H new ATOM 244 N VAL A 20 12.362 -0.611 -4.905 1.00 0.00 N ATOM 245 CA VAL A 20 11.854 -1.967 -5.026 1.00 0.00 C ATOM 246 C VAL A 20 10.333 -1.925 -5.184 1.00 0.00 C ATOM 247 O VAL A 20 9.714 -0.880 -4.988 1.00 0.00 O ATOM 248 CB VAL A 20 12.308 -2.804 -3.829 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.833 -2.800 -3.703 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.650 -2.316 -2.537 1.00 0.00 C ATOM 0 H VAL A 20 11.738 0.037 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 20 12.260 -2.449 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 20 11.989 -3.832 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.129 -3.402 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.274 -3.218 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.184 -1.777 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.990 -2.928 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.924 -1.276 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.567 -2.396 -2.628 1.00 0.00 H new ATOM 260 N ALA A 21 9.775 -3.073 -5.537 1.00 0.00 N ATOM 261 CA ALA A 21 8.338 -3.181 -5.724 1.00 0.00 C ATOM 262 C ALA A 21 7.667 -3.405 -4.367 1.00 0.00 C ATOM 263 O ALA A 21 8.258 -4.004 -3.470 1.00 0.00 O ATOM 264 CB ALA A 21 8.034 -4.304 -6.717 1.00 0.00 C ATOM 0 H ALA A 21 10.292 -3.937 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 21 7.936 -2.259 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.956 -4.384 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.508 -4.083 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.421 -5.247 -6.330 1.00 0.00 H new ATOM 270 N LEU A 22 6.442 -2.912 -4.260 1.00 0.00 N ATOM 271 CA LEU A 22 5.684 -3.051 -3.028 1.00 0.00 C ATOM 272 C LEU A 22 5.538 -4.536 -2.689 1.00 0.00 C ATOM 273 O LEU A 22 5.285 -4.892 -1.539 1.00 0.00 O ATOM 274 CB LEU A 22 4.350 -2.310 -3.133 1.00 0.00 C ATOM 275 CG LEU A 22 4.036 -1.330 -2.001 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.602 -0.808 -2.109 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.315 -1.962 -0.635 1.00 0.00 C ATOM 0 H LEU A 22 5.955 -2.416 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 22 6.216 -2.585 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.334 -1.763 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.550 -3.048 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 22 4.699 -0.471 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.405 -0.113 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.473 -0.294 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.905 -1.644 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.084 -1.244 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.694 -2.849 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.366 -2.243 -0.572 1.00 0.00 H new ATOM 289 N ASN A 23 5.704 -5.363 -3.711 1.00 0.00 N ATOM 290 CA ASN A 23 5.593 -6.801 -3.536 1.00 0.00 C ATOM 291 C ASN A 23 6.987 -7.392 -3.319 1.00 0.00 C ATOM 292 O ASN A 23 7.253 -8.527 -3.713 1.00 0.00 O ATOM 293 CB ASN A 23 4.988 -7.462 -4.776 1.00 0.00 C ATOM 294 CG ASN A 23 5.600 -6.890 -6.057 1.00 0.00 C ATOM 295 OD1 ASN A 23 5.410 -5.736 -6.405 1.00 0.00 O ATOM 296 ND2 ASN A 23 6.343 -7.759 -6.736 1.00 0.00 N ATOM 0 H ASN A 23 5.915 -5.064 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 23 4.948 -6.987 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.157 -8.538 -4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.909 -7.308 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.795 -7.474 -7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.461 -8.711 -6.388 1.00 0.00 H new ATOM 303 N GLN A 24 7.841 -6.597 -2.692 1.00 0.00 N ATOM 304 CA GLN A 24 9.202 -7.027 -2.417 1.00 0.00 C ATOM 305 C GLN A 24 9.526 -6.848 -0.933 1.00 0.00 C ATOM 306 O GLN A 24 9.950 -7.791 -0.268 1.00 0.00 O ATOM 307 CB GLN A 24 10.203 -6.272 -3.292 1.00 0.00 C ATOM 308 CG GLN A 24 9.788 -6.315 -4.764 1.00 0.00 C ATOM 309 CD GLN A 24 9.603 -7.758 -5.239 1.00 0.00 C ATOM 310 OE1 GLN A 24 8.912 -7.870 -6.370 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 10.057 -8.705 -4.620 1.00 0.00 N flip ATOM 0 H GLN A 24 7.617 -5.657 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 24 9.284 -8.086 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.272 -5.236 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.194 -6.710 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.859 -5.762 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.545 -5.822 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.579 -8.548 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.915 -9.655 -4.964 1.00 0.00 H new ATOM 320 N ILE A 25 9.313 -5.630 -0.456 1.00 0.00 N ATOM 321 CA ILE A 25 9.577 -5.314 0.937 1.00 0.00 C ATOM 322 C ILE A 25 8.519 -5.983 1.816 1.00 0.00 C ATOM 323 O ILE A 25 8.757 -6.237 2.996 1.00 0.00 O ATOM 324 CB ILE A 25 9.673 -3.800 1.135 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.317 -3.130 0.906 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.767 -3.200 0.248 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.406 -1.620 1.136 1.00 0.00 C ATOM 0 H ILE A 25 8.960 -4.850 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 25 10.544 -5.713 1.241 1.00 0.00 H new ATOM 0 HB ILE A 25 9.956 -3.608 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.977 -3.327 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.576 -3.561 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.815 -2.123 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.728 -3.647 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.538 -3.402 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.429 -1.168 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.723 -1.426 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.130 -1.189 0.445 1.00 0.00 H new ATOM 339 N GLY A 26 7.372 -6.249 1.208 1.00 0.00 N ATOM 340 CA GLY A 26 6.276 -6.883 1.921 1.00 0.00 C ATOM 341 C GLY A 26 5.402 -7.700 0.968 1.00 0.00 C ATOM 342 O GLY A 26 5.640 -7.716 -0.239 1.00 0.00 O ATOM 0 H GLY A 26 7.178 -6.037 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.672 -7.531 2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.670 -6.123 2.414 1.00 0.00 H new ATOM 346 N GLN A 27 4.407 -8.358 1.545 1.00 0.00 N ATOM 347 CA GLN A 27 3.496 -9.175 0.762 1.00 0.00 C ATOM 348 C GLN A 27 2.113 -8.524 0.707 1.00 0.00 C ATOM 349 O GLN A 27 1.494 -8.285 1.743 1.00 0.00 O ATOM 350 CB GLN A 27 3.411 -10.595 1.324 1.00 0.00 C ATOM 351 CG GLN A 27 4.026 -11.607 0.355 1.00 0.00 C ATOM 352 CD GLN A 27 3.308 -12.956 0.442 1.00 0.00 C ATOM 353 OE1 GLN A 27 3.786 -13.904 1.043 1.00 0.00 O ATOM 354 NE2 GLN A 27 2.139 -12.988 -0.190 1.00 0.00 N ATOM 0 H GLN A 27 4.212 -8.342 2.546 1.00 0.00 H new ATOM 0 HA GLN A 27 3.884 -9.245 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.929 -10.642 2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.369 -10.853 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.965 -11.224 -0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.084 -11.738 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.798 -12.157 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.583 -13.843 -0.191 1.00 0.00 H new ATOM 363 N ILE A 28 1.669 -8.254 -0.512 1.00 0.00 N ATOM 364 CA ILE A 28 0.370 -7.635 -0.715 1.00 0.00 C ATOM 365 C ILE A 28 -0.722 -8.702 -0.605 1.00 0.00 C ATOM 366 O ILE A 28 -0.763 -9.638 -1.401 1.00 0.00 O ATOM 367 CB ILE A 28 0.345 -6.865 -2.037 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.303 -5.673 -1.995 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.080 -6.442 -2.398 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.209 -5.653 -3.228 1.00 0.00 C ATOM 0 H ILE A 28 2.186 -8.453 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 28 0.174 -6.896 0.062 1.00 0.00 H new ATOM 0 HB ILE A 28 0.693 -7.531 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.733 -4.745 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.912 -5.723 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.070 -5.897 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.708 -7.327 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.479 -5.800 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.880 -4.796 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.796 -6.571 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.598 -5.578 -4.127 1.00 0.00 H new ATOM 382 N SER A 29 -1.579 -8.524 0.390 1.00 0.00 N ATOM 383 CA SER A 29 -2.668 -9.459 0.615 1.00 0.00 C ATOM 384 C SER A 29 -3.944 -8.699 0.981 1.00 0.00 C ATOM 385 O SER A 29 -4.032 -8.109 2.057 1.00 0.00 O ATOM 386 CB SER A 29 -2.314 -10.462 1.715 1.00 0.00 C ATOM 387 OG SER A 29 -2.994 -11.703 1.546 1.00 0.00 O ATOM 0 H SER A 29 -1.541 -7.746 1.049 1.00 0.00 H new ATOM 0 HA SER A 29 -2.836 -10.016 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.238 -10.635 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.568 -10.039 2.687 1.00 0.00 H new ATOM 0 HG SER A 29 -2.740 -12.316 2.267 1.00 0.00 H new ATOM 393 N MET A 30 -4.900 -8.736 0.065 1.00 0.00 N ATOM 394 CA MET A 30 -6.167 -8.058 0.278 1.00 0.00 C ATOM 395 C MET A 30 -6.889 -8.617 1.505 1.00 0.00 C ATOM 396 O MET A 30 -7.731 -9.505 1.384 1.00 0.00 O ATOM 397 CB MET A 30 -7.053 -8.230 -0.958 1.00 0.00 C ATOM 398 CG MET A 30 -7.285 -6.889 -1.658 1.00 0.00 C ATOM 399 SD MET A 30 -9.017 -6.692 -2.039 1.00 0.00 S ATOM 400 CE MET A 30 -9.162 -4.917 -1.914 1.00 0.00 C ATOM 0 H MET A 30 -4.823 -9.225 -0.827 1.00 0.00 H new ATOM 0 HA MET A 30 -5.967 -7.000 0.448 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.585 -8.930 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.010 -8.662 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.950 -6.073 -1.018 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.695 -6.840 -2.573 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.210 -4.631 -2.001 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.774 -4.587 -0.950 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.590 -4.448 -2.715 1.00 0.00 H new ATOM 410 N LYS A 31 -6.534 -8.073 2.660 1.00 0.00 N ATOM 411 CA LYS A 31 -7.137 -8.506 3.909 1.00 0.00 C ATOM 412 C LYS A 31 -8.646 -8.262 3.853 1.00 0.00 C ATOM 413 O LYS A 31 -9.433 -9.207 3.867 1.00 0.00 O ATOM 414 CB LYS A 31 -6.449 -7.834 5.098 1.00 0.00 C ATOM 415 CG LYS A 31 -7.163 -8.171 6.408 1.00 0.00 C ATOM 416 CD LYS A 31 -6.444 -9.300 7.150 1.00 0.00 C ATOM 417 CE LYS A 31 -7.362 -9.943 8.192 1.00 0.00 C ATOM 418 NZ LYS A 31 -7.623 -11.359 7.848 1.00 0.00 N ATOM 0 H LYS A 31 -5.836 -7.336 2.757 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.992 -9.577 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.410 -8.159 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.438 -6.754 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.206 -7.285 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.192 -8.465 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.112 -10.055 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.552 -8.909 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.902 -9.881 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.303 -9.396 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.247 -11.781 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.081 -11.411 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.724 -11.881 7.821 1.00 0.00 H new ATOM 432 N SER A 32 -9.005 -6.988 3.791 1.00 0.00 N ATOM 433 CA SER A 32 -10.406 -6.607 3.733 1.00 0.00 C ATOM 434 C SER A 32 -10.865 -6.521 2.276 1.00 0.00 C ATOM 435 O SER A 32 -10.051 -6.327 1.375 1.00 0.00 O ATOM 436 CB SER A 32 -10.644 -5.273 4.443 1.00 0.00 C ATOM 437 OG SER A 32 -10.095 -5.263 5.758 1.00 0.00 O ATOM 0 H SER A 32 -8.350 -6.206 3.780 1.00 0.00 H new ATOM 0 HA SER A 32 -10.989 -7.371 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.200 -4.467 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.715 -5.076 4.496 1.00 0.00 H new ATOM 0 HG SER A 32 -10.266 -4.394 6.177 1.00 0.00 H new ATOM 443 N PRO A 33 -12.203 -6.676 2.085 1.00 0.00 N ATOM 444 CA PRO A 33 -12.780 -6.618 0.753 1.00 0.00 C ATOM 445 C PRO A 33 -12.838 -5.177 0.242 1.00 0.00 C ATOM 446 O PRO A 33 -13.901 -4.694 -0.146 1.00 0.00 O ATOM 447 CB PRO A 33 -14.153 -7.255 0.891 1.00 0.00 C ATOM 448 CG PRO A 33 -14.480 -7.223 2.375 1.00 0.00 C ATOM 449 CD PRO A 33 -13.197 -6.908 3.128 1.00 0.00 C ATOM 0 HA PRO A 33 -12.182 -7.149 0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.898 -6.706 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.149 -8.278 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.239 -6.469 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.886 -8.182 2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.316 -6.031 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.905 -7.734 3.776 1.00 0.00 H new ATOM 457 N GLN A 34 -11.682 -4.530 0.259 1.00 0.00 N ATOM 458 CA GLN A 34 -11.588 -3.154 -0.197 1.00 0.00 C ATOM 459 C GLN A 34 -10.195 -2.592 0.095 1.00 0.00 C ATOM 460 O GLN A 34 -9.660 -1.810 -0.690 1.00 0.00 O ATOM 461 CB GLN A 34 -12.674 -2.288 0.444 1.00 0.00 C ATOM 462 CG GLN A 34 -12.329 -0.801 0.329 1.00 0.00 C ATOM 463 CD GLN A 34 -13.572 0.067 0.532 1.00 0.00 C ATOM 464 OE1 GLN A 34 -14.465 0.122 -0.298 1.00 0.00 O ATOM 465 NE2 GLN A 34 -13.581 0.741 1.679 1.00 0.00 N ATOM 0 H GLN A 34 -10.802 -4.933 0.582 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.746 -3.138 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.631 -2.481 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.787 -2.559 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.574 -0.541 1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.896 -0.599 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.801 0.650 2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.368 1.349 1.907 1.00 0.00 H new ATOM 474 N VAL A 35 -9.647 -3.012 1.226 1.00 0.00 N ATOM 475 CA VAL A 35 -8.327 -2.561 1.631 1.00 0.00 C ATOM 476 C VAL A 35 -7.295 -3.635 1.280 1.00 0.00 C ATOM 477 O VAL A 35 -7.594 -4.827 1.328 1.00 0.00 O ATOM 478 CB VAL A 35 -8.331 -2.198 3.117 1.00 0.00 C ATOM 479 CG1 VAL A 35 -9.673 -1.590 3.529 1.00 0.00 C ATOM 480 CG2 VAL A 35 -7.993 -3.416 3.979 1.00 0.00 C ATOM 0 H VAL A 35 -10.094 -3.660 1.875 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.050 -1.656 1.090 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.559 -1.447 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.649 -1.341 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.857 -0.686 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.471 -2.309 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.002 -3.131 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.732 -4.199 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.003 -3.787 3.712 1.00 0.00 H new ATOM 490 N ILE A 36 -6.102 -3.174 0.935 1.00 0.00 N ATOM 491 CA ILE A 36 -5.025 -4.080 0.576 1.00 0.00 C ATOM 492 C ILE A 36 -3.978 -4.089 1.692 1.00 0.00 C ATOM 493 O ILE A 36 -3.310 -3.083 1.929 1.00 0.00 O ATOM 494 CB ILE A 36 -4.456 -3.720 -0.797 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.542 -3.780 -1.874 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.256 -4.604 -1.144 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.826 -2.389 -2.444 1.00 0.00 C ATOM 0 H ILE A 36 -5.858 -2.184 0.897 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.401 -5.099 0.482 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.097 -2.692 -0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.228 -4.448 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.456 -4.197 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.871 -4.326 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.475 -4.467 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.566 -5.649 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.601 -2.460 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.163 -1.730 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.916 -1.985 -2.888 1.00 0.00 H new ATOM 509 N LEU A 37 -3.868 -5.234 2.348 1.00 0.00 N ATOM 510 CA LEU A 37 -2.914 -5.387 3.434 1.00 0.00 C ATOM 511 C LEU A 37 -1.536 -5.714 2.854 1.00 0.00 C ATOM 512 O LEU A 37 -1.430 -6.453 1.876 1.00 0.00 O ATOM 513 CB LEU A 37 -3.415 -6.418 4.447 1.00 0.00 C ATOM 514 CG LEU A 37 -3.946 -5.857 5.768 1.00 0.00 C ATOM 515 CD1 LEU A 37 -4.136 -6.971 6.800 1.00 0.00 C ATOM 516 CD2 LEU A 37 -3.041 -4.739 6.291 1.00 0.00 C ATOM 0 H LEU A 37 -4.424 -6.066 2.149 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.814 -4.453 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.207 -7.003 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.599 -7.106 4.669 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.927 -5.418 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.514 -6.545 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.849 -7.702 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.180 -7.460 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.440 -4.357 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.037 -5.131 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.000 -3.932 5.560 1.00 0.00 H new ATOM 528 N VAL A 38 -0.516 -5.148 3.482 1.00 0.00 N ATOM 529 CA VAL A 38 0.850 -5.370 3.040 1.00 0.00 C ATOM 530 C VAL A 38 1.715 -5.749 4.244 1.00 0.00 C ATOM 531 O VAL A 38 2.039 -4.900 5.072 1.00 0.00 O ATOM 532 CB VAL A 38 1.367 -4.136 2.297 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.838 -4.305 1.912 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.509 -3.837 1.067 1.00 0.00 C ATOM 0 H VAL A 38 -0.608 -4.536 4.293 1.00 0.00 H new ATOM 0 HA VAL A 38 0.893 -6.199 2.334 1.00 0.00 H new ATOM 0 HB VAL A 38 1.293 -3.283 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.181 -3.414 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.436 -4.447 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.947 -5.174 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.898 -2.955 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.536 -4.690 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.520 -3.652 1.377 1.00 0.00 H new ATOM 544 N ASN A 39 2.064 -7.026 4.303 1.00 0.00 N ATOM 545 CA ASN A 39 2.885 -7.528 5.391 1.00 0.00 C ATOM 546 C ASN A 39 4.337 -7.100 5.169 1.00 0.00 C ATOM 547 O ASN A 39 4.894 -7.314 4.093 1.00 0.00 O ATOM 548 CB ASN A 39 2.847 -9.056 5.450 1.00 0.00 C ATOM 549 CG ASN A 39 3.572 -9.576 6.693 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.963 -8.827 7.574 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.728 -10.896 6.716 1.00 0.00 N ATOM 0 H ASN A 39 1.793 -7.728 3.614 1.00 0.00 H new ATOM 0 HA ASN A 39 2.494 -7.121 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.812 -9.397 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.311 -9.470 4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.199 -11.340 7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.377 -11.465 5.946 1.00 0.00 H new ATOM 558 N MET A 40 4.909 -6.502 6.204 1.00 0.00 N ATOM 559 CA MET A 40 6.285 -6.041 6.135 1.00 0.00 C ATOM 560 C MET A 40 7.156 -6.760 7.168 1.00 0.00 C ATOM 561 O MET A 40 8.150 -6.208 7.639 1.00 0.00 O ATOM 562 CB MET A 40 6.333 -4.533 6.388 1.00 0.00 C ATOM 563 CG MET A 40 5.444 -3.783 5.394 1.00 0.00 C ATOM 564 SD MET A 40 6.294 -3.596 3.835 1.00 0.00 S ATOM 565 CE MET A 40 7.674 -2.590 4.354 1.00 0.00 C ATOM 0 H MET A 40 4.444 -6.326 7.095 1.00 0.00 H new ATOM 0 HA MET A 40 6.673 -6.263 5.141 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.006 -4.321 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.360 -4.179 6.302 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.511 -4.327 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.182 -2.804 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.574 -1.590 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.688 -2.525 5.442 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.604 -3.040 4.005 1.00 0.00 H new ATOM 575 N ALA A 41 6.751 -7.980 7.490 1.00 0.00 N ATOM 576 CA ALA A 41 7.482 -8.779 8.459 1.00 0.00 C ATOM 577 C ALA A 41 8.922 -8.968 7.975 1.00 0.00 C ATOM 578 O ALA A 41 9.799 -9.333 8.756 1.00 0.00 O ATOM 579 CB ALA A 41 6.759 -10.111 8.671 1.00 0.00 C ATOM 0 H ALA A 41 5.927 -8.434 7.097 1.00 0.00 H new ATOM 0 HA ALA A 41 7.522 -8.272 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.307 -10.711 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.751 -9.923 9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.703 -10.649 7.725 1.00 0.00 H new ATOM 585 N SER A 42 9.119 -8.711 6.690 1.00 0.00 N ATOM 586 CA SER A 42 10.437 -8.848 6.094 1.00 0.00 C ATOM 587 C SER A 42 11.138 -7.489 6.057 1.00 0.00 C ATOM 588 O SER A 42 12.355 -7.418 5.885 1.00 0.00 O ATOM 589 CB SER A 42 10.345 -9.436 4.685 1.00 0.00 C ATOM 590 OG SER A 42 10.480 -10.855 4.689 1.00 0.00 O ATOM 0 H SER A 42 8.388 -8.409 6.046 1.00 0.00 H new ATOM 0 HA SER A 42 11.021 -9.534 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.388 -9.164 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.123 -9.000 4.058 1.00 0.00 H new ATOM 0 HG SER A 42 10.414 -11.192 3.771 1.00 0.00 H new ATOM 596 N PHE A 43 10.342 -6.443 6.220 1.00 0.00 N ATOM 597 CA PHE A 43 10.871 -5.090 6.207 1.00 0.00 C ATOM 598 C PHE A 43 10.111 -4.194 7.187 1.00 0.00 C ATOM 599 O PHE A 43 9.366 -3.307 6.774 1.00 0.00 O ATOM 600 CB PHE A 43 10.682 -4.548 4.788 1.00 0.00 C ATOM 601 CG PHE A 43 11.755 -5.005 3.799 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.656 -6.224 3.202 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.810 -4.194 3.517 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.653 -6.648 2.284 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.806 -4.618 2.599 1.00 0.00 C ATOM 606 CZ PHE A 43 13.707 -5.836 2.002 1.00 0.00 C ATOM 0 H PHE A 43 9.334 -6.505 6.362 1.00 0.00 H new ATOM 0 HA PHE A 43 11.920 -5.099 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.705 -4.860 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.676 -3.459 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.819 -6.869 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.890 -3.227 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.574 -7.615 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.643 -3.973 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.465 -6.158 1.304 1.00 0.00 H new ATOM 616 N PRO A 44 10.332 -4.464 8.502 1.00 0.00 N ATOM 617 CA PRO A 44 9.677 -3.693 9.545 1.00 0.00 C ATOM 618 C PRO A 44 10.314 -2.310 9.687 1.00 0.00 C ATOM 619 O PRO A 44 9.836 -1.478 10.456 1.00 0.00 O ATOM 620 CB PRO A 44 9.808 -4.539 10.801 1.00 0.00 C ATOM 621 CG PRO A 44 10.928 -5.528 10.522 1.00 0.00 C ATOM 622 CD PRO A 44 11.208 -5.507 9.028 1.00 0.00 C ATOM 0 HA PRO A 44 8.629 -3.492 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.041 -3.919 11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.875 -5.058 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.823 -5.258 11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.641 -6.530 10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.255 -5.284 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.993 -6.473 8.571 1.00 0.00 H new ATOM 630 N GLU A 45 11.384 -2.107 8.932 1.00 0.00 N ATOM 631 CA GLU A 45 12.092 -0.838 8.964 1.00 0.00 C ATOM 632 C GLU A 45 11.732 0.002 7.737 1.00 0.00 C ATOM 633 O GLU A 45 11.938 1.215 7.729 1.00 0.00 O ATOM 634 CB GLU A 45 13.604 -1.056 9.054 1.00 0.00 C ATOM 635 CG GLU A 45 14.139 -1.718 7.783 1.00 0.00 C ATOM 636 CD GLU A 45 14.702 -3.109 8.084 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.812 -3.160 8.656 1.00 0.00 O ATOM 638 OE2 GLU A 45 14.009 -4.089 7.736 1.00 0.00 O ATOM 0 H GLU A 45 11.778 -2.799 8.295 1.00 0.00 H new ATOM 0 HA GLU A 45 11.782 -0.294 9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.104 -0.100 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.834 -1.680 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.340 -1.797 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.917 -1.094 7.344 1.00 0.00 H new ATOM 645 N CYS A 46 11.199 -0.676 6.731 1.00 0.00 N ATOM 646 CA CYS A 46 10.808 -0.007 5.502 1.00 0.00 C ATOM 647 C CYS A 46 9.285 0.132 5.495 1.00 0.00 C ATOM 648 O CYS A 46 8.689 0.425 4.459 1.00 0.00 O ATOM 649 CB CYS A 46 11.320 -0.750 4.266 1.00 0.00 C ATOM 650 SG CYS A 46 12.701 0.179 3.505 1.00 0.00 S ATOM 0 H CYS A 46 11.029 -1.682 6.742 1.00 0.00 H new ATOM 0 HA CYS A 46 11.262 0.983 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.653 -1.750 4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.512 -0.873 3.545 1.00 0.00 H new ATOM 0 HG CYS A 46 12.225 1.151 2.785 1.00 0.00 H new ATOM 656 N THR A 47 8.697 -0.085 6.662 1.00 0.00 N ATOM 657 CA THR A 47 7.254 0.012 6.803 1.00 0.00 C ATOM 658 C THR A 47 6.767 1.395 6.364 1.00 0.00 C ATOM 659 O THR A 47 5.799 1.507 5.614 1.00 0.00 O ATOM 660 CB THR A 47 6.897 -0.326 8.252 1.00 0.00 C ATOM 661 OG1 THR A 47 7.415 -1.640 8.439 1.00 0.00 O ATOM 662 CG2 THR A 47 5.390 -0.487 8.461 1.00 0.00 C ATOM 0 H THR A 47 9.194 -0.328 7.519 1.00 0.00 H new ATOM 0 HA THR A 47 6.744 -0.699 6.153 1.00 0.00 H new ATOM 0 HB THR A 47 7.274 0.456 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.094 -2.000 9.292 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.191 -0.726 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.885 0.443 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.019 -1.292 7.827 1.00 0.00 H new ATOM 670 N ALA A 48 7.461 2.413 6.852 1.00 0.00 N ATOM 671 CA ALA A 48 7.111 3.784 6.519 1.00 0.00 C ATOM 672 C ALA A 48 7.291 4.001 5.016 1.00 0.00 C ATOM 673 O ALA A 48 6.403 4.531 4.351 1.00 0.00 O ATOM 674 CB ALA A 48 7.962 4.744 7.353 1.00 0.00 C ATOM 0 H ALA A 48 8.263 2.316 7.475 1.00 0.00 H new ATOM 0 HA ALA A 48 6.066 3.983 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.700 5.772 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.776 4.569 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.017 4.576 7.137 1.00 0.00 H new ATOM 680 N ALA A 49 8.448 3.581 4.523 1.00 0.00 N ATOM 681 CA ALA A 49 8.755 3.723 3.111 1.00 0.00 C ATOM 682 C ALA A 49 7.507 3.402 2.286 1.00 0.00 C ATOM 683 O ALA A 49 7.045 4.231 1.504 1.00 0.00 O ATOM 684 CB ALA A 49 9.938 2.821 2.753 1.00 0.00 C ATOM 0 H ALA A 49 9.183 3.142 5.077 1.00 0.00 H new ATOM 0 HA ALA A 49 9.045 4.749 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.169 2.927 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.807 3.109 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.682 1.783 2.966 1.00 0.00 H new ATOM 690 N ALA A 50 6.997 2.196 2.490 1.00 0.00 N ATOM 691 CA ALA A 50 5.811 1.755 1.775 1.00 0.00 C ATOM 692 C ALA A 50 4.712 2.810 1.920 1.00 0.00 C ATOM 693 O ALA A 50 4.294 3.416 0.934 1.00 0.00 O ATOM 694 CB ALA A 50 5.377 0.386 2.301 1.00 0.00 C ATOM 0 H ALA A 50 7.383 1.511 3.140 1.00 0.00 H new ATOM 0 HA ALA A 50 6.023 1.643 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.488 0.055 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.181 -0.334 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.153 0.460 3.365 1.00 0.00 H new ATOM 700 N ILE A 51 4.274 2.997 3.156 1.00 0.00 N ATOM 701 CA ILE A 51 3.232 3.968 3.442 1.00 0.00 C ATOM 702 C ILE A 51 3.462 5.221 2.595 1.00 0.00 C ATOM 703 O ILE A 51 2.510 5.826 2.104 1.00 0.00 O ATOM 704 CB ILE A 51 3.158 4.247 4.945 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.443 3.110 5.679 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.507 5.605 5.219 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.201 2.716 6.948 1.00 0.00 C ATOM 0 H ILE A 51 4.622 2.492 3.971 1.00 0.00 H new ATOM 0 HA ILE A 51 2.255 3.571 3.166 1.00 0.00 H new ATOM 0 HB ILE A 51 4.175 4.293 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.430 3.419 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.355 2.246 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.467 5.779 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.094 6.392 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.496 5.612 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.672 1.906 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.205 2.385 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.266 3.576 7.615 1.00 0.00 H new ATOM 719 N LYS A 52 4.731 5.574 2.449 1.00 0.00 N ATOM 720 CA LYS A 52 5.097 6.744 1.669 1.00 0.00 C ATOM 721 C LYS A 52 4.696 6.524 0.209 1.00 0.00 C ATOM 722 O LYS A 52 3.800 7.196 -0.300 1.00 0.00 O ATOM 723 CB LYS A 52 6.580 7.069 1.857 1.00 0.00 C ATOM 724 CG LYS A 52 6.761 8.425 2.544 1.00 0.00 C ATOM 725 CD LYS A 52 7.899 8.374 3.566 1.00 0.00 C ATOM 726 CE LYS A 52 7.511 9.100 4.855 1.00 0.00 C ATOM 727 NZ LYS A 52 8.659 9.151 5.787 1.00 0.00 N ATOM 0 H LYS A 52 5.518 5.070 2.858 1.00 0.00 H new ATOM 0 HA LYS A 52 4.554 7.622 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.054 6.289 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.080 7.078 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.972 9.190 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.834 8.712 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.146 7.336 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.794 8.830 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.178 10.112 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.673 8.589 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.378 9.647 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.959 8.183 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.448 9.659 5.338 1.00 0.00 H new ATOM 741 N ALA A 53 5.379 5.582 -0.424 1.00 0.00 N ATOM 742 CA ALA A 53 5.105 5.266 -1.815 1.00 0.00 C ATOM 743 C ALA A 53 3.623 5.510 -2.107 1.00 0.00 C ATOM 744 O ALA A 53 3.281 6.228 -3.045 1.00 0.00 O ATOM 745 CB ALA A 53 5.526 3.823 -2.104 1.00 0.00 C ATOM 0 H ALA A 53 6.122 5.027 0.001 1.00 0.00 H new ATOM 0 HA ALA A 53 5.682 5.913 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.320 3.586 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.592 3.709 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.965 3.145 -1.461 1.00 0.00 H new ATOM 751 N ILE A 54 2.782 4.898 -1.285 1.00 0.00 N ATOM 752 CA ILE A 54 1.345 5.040 -1.444 1.00 0.00 C ATOM 753 C ILE A 54 0.991 6.525 -1.546 1.00 0.00 C ATOM 754 O ILE A 54 0.516 6.984 -2.583 1.00 0.00 O ATOM 755 CB ILE A 54 0.607 4.308 -0.320 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.800 2.795 -0.433 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.872 4.698 -0.291 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.621 2.257 0.740 1.00 0.00 C ATOM 0 H ILE A 54 3.069 4.303 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 54 1.016 4.569 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 54 1.039 4.617 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.172 2.302 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.302 2.558 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.373 4.164 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.962 5.772 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.336 4.436 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.743 1.179 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.601 2.734 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.105 2.474 1.675 1.00 0.00 H new ATOM 770 N ARG A 55 1.238 7.236 -0.455 1.00 0.00 N ATOM 771 CA ARG A 55 0.952 8.660 -0.408 1.00 0.00 C ATOM 772 C ARG A 55 1.683 9.385 -1.540 1.00 0.00 C ATOM 773 O ARG A 55 1.271 10.467 -1.957 1.00 0.00 O ATOM 774 CB ARG A 55 1.375 9.263 0.932 1.00 0.00 C ATOM 775 CG ARG A 55 0.360 8.930 2.028 1.00 0.00 C ATOM 776 CD ARG A 55 1.013 8.123 3.152 1.00 0.00 C ATOM 777 NE ARG A 55 0.383 8.461 4.449 1.00 0.00 N ATOM 778 CZ ARG A 55 0.429 9.676 5.012 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.075 10.676 4.397 1.00 0.00 N ATOM 780 NH2 ARG A 55 -0.170 9.891 6.191 1.00 0.00 N ATOM 0 H ARG A 55 1.633 6.852 0.403 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.124 8.786 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.357 8.882 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.469 10.345 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.059 9.851 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.468 8.363 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.907 7.056 2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.081 8.336 3.191 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.117 7.723 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.532 10.512 3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.110 11.601 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.661 9.130 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.135 10.816 6.620 1.00 0.00 H new ATOM 794 N GLU A 56 2.755 8.760 -2.005 1.00 0.00 N ATOM 795 CA GLU A 56 3.547 9.333 -3.080 1.00 0.00 C ATOM 796 C GLU A 56 3.294 8.578 -4.386 1.00 0.00 C ATOM 797 O GLU A 56 4.135 8.583 -5.284 1.00 0.00 O ATOM 798 CB GLU A 56 5.036 9.331 -2.725 1.00 0.00 C ATOM 799 CG GLU A 56 5.316 10.245 -1.531 1.00 0.00 C ATOM 800 CD GLU A 56 6.602 11.046 -1.743 1.00 0.00 C ATOM 801 OE1 GLU A 56 6.595 11.899 -2.657 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.563 10.788 -0.987 1.00 0.00 O ATOM 0 H GLU A 56 3.093 7.863 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 56 3.241 10.370 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.357 8.315 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.619 9.661 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.478 10.927 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.401 9.648 -0.623 1.00 0.00 H new ATOM 809 N SER A 57 2.131 7.946 -4.451 1.00 0.00 N ATOM 810 CA SER A 57 1.757 7.188 -5.633 1.00 0.00 C ATOM 811 C SER A 57 0.617 7.895 -6.369 1.00 0.00 C ATOM 812 O SER A 57 -0.281 7.245 -6.900 1.00 0.00 O ATOM 813 CB SER A 57 1.346 5.761 -5.264 1.00 0.00 C ATOM 814 OG SER A 57 2.467 4.956 -4.911 1.00 0.00 O ATOM 0 H SER A 57 1.436 7.943 -3.705 1.00 0.00 H new ATOM 0 HA SER A 57 2.624 7.129 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.644 5.790 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.823 5.306 -6.105 1.00 0.00 H new ATOM 0 HG SER A 57 3.195 5.530 -4.593 1.00 0.00 H new ATOM 820 N GLY A 58 0.691 9.218 -6.377 1.00 0.00 N ATOM 821 CA GLY A 58 -0.323 10.021 -7.039 1.00 0.00 C ATOM 822 C GLY A 58 -1.713 9.407 -6.856 1.00 0.00 C ATOM 823 O GLY A 58 -2.532 9.434 -7.773 1.00 0.00 O ATOM 0 H GLY A 58 1.438 9.754 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.312 11.033 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.093 10.100 -8.102 1.00 0.00 H new ATOM 827 N MET A 59 -1.935 8.869 -5.666 1.00 0.00 N ATOM 828 CA MET A 59 -3.212 8.250 -5.352 1.00 0.00 C ATOM 829 C MET A 59 -3.973 9.064 -4.304 1.00 0.00 C ATOM 830 O MET A 59 -5.202 9.099 -4.312 1.00 0.00 O ATOM 831 CB MET A 59 -2.977 6.832 -4.826 1.00 0.00 C ATOM 832 CG MET A 59 -3.185 5.796 -5.932 1.00 0.00 C ATOM 833 SD MET A 59 -3.666 4.231 -5.219 1.00 0.00 S ATOM 834 CE MET A 59 -2.165 3.300 -5.472 1.00 0.00 C ATOM 0 H MET A 59 -1.253 8.849 -4.908 1.00 0.00 H new ATOM 0 HA MET A 59 -3.811 8.215 -6.262 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.964 6.750 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.658 6.629 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.953 6.141 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.267 5.676 -6.507 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.411 2.311 -5.859 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.530 3.822 -6.188 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.636 3.198 -4.524 1.00 0.00 H new ATOM 844 N ASN A 60 -3.210 9.698 -3.426 1.00 0.00 N ATOM 845 CA ASN A 60 -3.796 10.509 -2.372 1.00 0.00 C ATOM 846 C ASN A 60 -4.721 9.639 -1.519 1.00 0.00 C ATOM 847 O ASN A 60 -5.930 9.861 -1.482 1.00 0.00 O ATOM 848 CB ASN A 60 -4.630 11.651 -2.957 1.00 0.00 C ATOM 849 CG ASN A 60 -3.784 12.915 -3.129 1.00 0.00 C ATOM 850 OD1 ASN A 60 -3.059 13.333 -2.241 1.00 0.00 O ATOM 851 ND2 ASN A 60 -3.917 13.498 -4.317 1.00 0.00 N ATOM 0 H ASN A 60 -2.190 9.667 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.984 10.923 -1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.040 11.350 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.476 11.861 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.394 14.348 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.542 13.095 -5.016 1.00 0.00 H new ATOM 858 N LEU A 61 -4.116 8.666 -0.853 1.00 0.00 N ATOM 859 CA LEU A 61 -4.870 7.761 -0.002 1.00 0.00 C ATOM 860 C LEU A 61 -4.340 7.855 1.430 1.00 0.00 C ATOM 861 O LEU A 61 -3.306 8.474 1.674 1.00 0.00 O ATOM 862 CB LEU A 61 -4.846 6.342 -0.575 1.00 0.00 C ATOM 863 CG LEU A 61 -5.619 6.131 -1.878 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.130 4.880 -2.609 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.127 6.093 -1.620 1.00 0.00 C ATOM 0 H LEU A 61 -3.113 8.485 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.920 8.051 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.807 6.057 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.247 5.661 0.176 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.426 6.981 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.696 4.753 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.071 4.987 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.274 4.007 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.654 5.942 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.359 5.274 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.444 7.036 -1.174 1.00 0.00 H new ATOM 877 N ASN A 62 -5.074 7.231 2.341 1.00 0.00 N ATOM 878 CA ASN A 62 -4.691 7.236 3.742 1.00 0.00 C ATOM 879 C ASN A 62 -4.390 5.805 4.190 1.00 0.00 C ATOM 880 O ASN A 62 -5.263 5.121 4.724 1.00 0.00 O ATOM 881 CB ASN A 62 -5.821 7.779 4.620 1.00 0.00 C ATOM 882 CG ASN A 62 -5.295 8.199 5.994 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.280 8.863 6.122 1.00 0.00 O ATOM 884 ND2 ASN A 62 -6.041 7.776 7.011 1.00 0.00 N ATOM 0 H ASN A 62 -5.932 6.719 2.135 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.813 7.873 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.289 8.632 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.592 7.017 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.774 8.004 7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.880 7.223 6.833 1.00 0.00 H new ATOM 891 N PRO A 63 -3.120 5.382 3.950 1.00 0.00 N ATOM 892 CA PRO A 63 -2.693 4.044 4.323 1.00 0.00 C ATOM 893 C PRO A 63 -2.480 3.938 5.834 1.00 0.00 C ATOM 894 O PRO A 63 -2.155 4.926 6.490 1.00 0.00 O ATOM 895 CB PRO A 63 -1.423 3.800 3.525 1.00 0.00 C ATOM 896 CG PRO A 63 -0.931 5.172 3.094 1.00 0.00 C ATOM 897 CD PRO A 63 -2.060 6.164 3.320 1.00 0.00 C ATOM 0 HA PRO A 63 -3.442 3.285 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.674 3.289 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.621 3.167 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.050 5.459 3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.638 5.160 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.742 6.987 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.396 6.602 2.380 1.00 0.00 H new ATOM 905 N GLU A 64 -2.672 2.730 6.343 1.00 0.00 N ATOM 906 CA GLU A 64 -2.505 2.481 7.765 1.00 0.00 C ATOM 907 C GLU A 64 -1.269 1.613 8.010 1.00 0.00 C ATOM 908 O GLU A 64 -0.601 1.196 7.065 1.00 0.00 O ATOM 909 CB GLU A 64 -3.757 1.834 8.359 1.00 0.00 C ATOM 910 CG GLU A 64 -4.953 2.784 8.285 1.00 0.00 C ATOM 911 CD GLU A 64 -5.560 3.012 9.671 1.00 0.00 C ATOM 912 OE1 GLU A 64 -4.762 3.173 10.620 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.807 3.020 9.751 1.00 0.00 O ATOM 0 H GLU A 64 -2.942 1.913 5.796 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.358 3.437 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.985 0.914 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.571 1.559 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.639 3.738 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.709 2.371 7.617 1.00 0.00 H new ATOM 920 N VAL A 65 -1.003 1.365 9.284 1.00 0.00 N ATOM 921 CA VAL A 65 0.141 0.553 9.665 1.00 0.00 C ATOM 922 C VAL A 65 -0.118 -0.071 11.038 1.00 0.00 C ATOM 923 O VAL A 65 -0.296 0.641 12.025 1.00 0.00 O ATOM 924 CB VAL A 65 1.417 1.395 9.623 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.478 2.359 10.809 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.660 0.504 9.575 1.00 0.00 C ATOM 0 H VAL A 65 -1.559 1.712 10.065 1.00 0.00 H new ATOM 0 HA VAL A 65 0.283 -0.264 8.957 1.00 0.00 H new ATOM 0 HB VAL A 65 1.396 1.990 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.395 2.945 10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.618 3.028 10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.465 1.792 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.554 1.127 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.688 -0.129 10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.625 -0.122 8.683 1.00 0.00 H new ATOM 936 N GLU A 66 -0.131 -1.396 11.057 1.00 0.00 N ATOM 937 CA GLU A 66 -0.364 -2.125 12.292 1.00 0.00 C ATOM 938 C GLU A 66 0.749 -3.149 12.523 1.00 0.00 C ATOM 939 O GLU A 66 0.781 -4.193 11.875 1.00 0.00 O ATOM 940 CB GLU A 66 -1.737 -2.800 12.279 1.00 0.00 C ATOM 941 CG GLU A 66 -2.269 -2.989 13.701 1.00 0.00 C ATOM 942 CD GLU A 66 -3.213 -1.849 14.089 1.00 0.00 C ATOM 943 OE1 GLU A 66 -2.696 -0.834 14.603 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.431 -2.019 13.863 1.00 0.00 O ATOM 0 H GLU A 66 0.016 -1.984 10.236 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.353 -1.414 13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.438 -2.196 11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.666 -3.767 11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.794 -3.941 13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.436 -3.031 14.402 1.00 0.00 H new ATOM 951 N GLY A 67 1.635 -2.813 13.450 1.00 0.00 N ATOM 952 CA GLY A 67 2.746 -3.691 13.775 1.00 0.00 C ATOM 953 C GLY A 67 3.708 -3.818 12.592 1.00 0.00 C ATOM 954 O GLY A 67 4.746 -3.158 12.557 1.00 0.00 O ATOM 0 H GLY A 67 1.606 -1.945 13.986 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.280 -3.302 14.642 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.368 -4.676 14.048 1.00 0.00 H new ATOM 958 N THR A 68 3.329 -4.670 11.651 1.00 0.00 N ATOM 959 CA THR A 68 4.145 -4.892 10.470 1.00 0.00 C ATOM 960 C THR A 68 3.259 -5.154 9.251 1.00 0.00 C ATOM 961 O THR A 68 3.727 -5.668 8.236 1.00 0.00 O ATOM 962 CB THR A 68 5.115 -6.036 10.773 1.00 0.00 C ATOM 963 OG1 THR A 68 4.391 -6.877 11.666 1.00 0.00 O ATOM 964 CG2 THR A 68 6.324 -5.578 11.590 1.00 0.00 C ATOM 0 H THR A 68 2.467 -5.215 11.683 1.00 0.00 H new ATOM 0 HA THR A 68 4.731 -4.007 10.223 1.00 0.00 H new ATOM 0 HB THR A 68 5.457 -6.479 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.946 -7.646 11.913 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.980 -6.428 11.777 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.869 -4.814 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.986 -5.165 12.540 1.00 0.00 H new ATOM 972 N LEU A 69 1.993 -4.788 9.390 1.00 0.00 N ATOM 973 CA LEU A 69 1.036 -4.977 8.313 1.00 0.00 C ATOM 974 C LEU A 69 0.444 -3.622 7.919 1.00 0.00 C ATOM 975 O LEU A 69 -0.246 -2.987 8.716 1.00 0.00 O ATOM 976 CB LEU A 69 -0.015 -6.017 8.706 1.00 0.00 C ATOM 977 CG LEU A 69 0.077 -7.367 7.992 1.00 0.00 C ATOM 978 CD1 LEU A 69 1.014 -8.319 8.738 1.00 0.00 C ATOM 979 CD2 LEU A 69 -1.312 -7.974 7.786 1.00 0.00 C ATOM 0 H LEU A 69 1.608 -4.361 10.233 1.00 0.00 H new ATOM 0 HA LEU A 69 1.532 -5.378 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.058 -6.191 9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.002 -5.596 8.518 1.00 0.00 H new ATOM 0 HG LEU A 69 0.506 -7.202 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.061 -9.271 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.011 -7.882 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.638 -8.483 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.218 -8.933 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.791 -8.123 8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.918 -7.299 7.181 1.00 0.00 H new ATOM 991 N ILE A 70 0.734 -3.220 6.691 1.00 0.00 N ATOM 992 CA ILE A 70 0.239 -1.952 6.182 1.00 0.00 C ATOM 993 C ILE A 70 -1.109 -2.175 5.493 1.00 0.00 C ATOM 994 O ILE A 70 -1.275 -3.136 4.743 1.00 0.00 O ATOM 995 CB ILE A 70 1.286 -1.289 5.284 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.559 -0.969 6.070 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.712 -0.051 4.594 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.685 -0.525 5.134 1.00 0.00 C ATOM 0 H ILE A 70 1.306 -3.750 6.033 1.00 0.00 H new ATOM 0 HA ILE A 70 0.067 -1.254 7.001 1.00 0.00 H new ATOM 0 HB ILE A 70 1.560 -1.995 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.354 -0.183 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.874 -1.848 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.477 0.401 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.142 -0.339 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.391 0.669 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.578 -0.304 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.904 -1.323 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.376 0.368 4.591 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.037 -1.272 5.774 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.365 -1.359 5.191 1.00 0.00 C ATOM 1012 C ARG A 71 -3.618 -0.165 4.268 1.00 0.00 C ATOM 1013 O ARG A 71 -3.304 0.972 4.618 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.442 -1.393 6.277 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.649 -2.218 5.826 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.583 -2.511 7.002 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.733 -1.580 6.980 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.713 -1.573 7.894 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.688 -2.449 8.908 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -9.717 -0.692 7.794 1.00 0.00 N ATOM 0 H ARG A 71 -1.896 -0.477 6.397 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.416 -2.284 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.028 -1.817 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.759 -0.377 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.193 -1.679 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.309 -3.155 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.937 -3.540 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.040 -2.409 7.942 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.783 -0.900 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.924 -3.120 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.433 -2.445 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.736 -0.026 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.463 -0.687 8.490 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.185 -0.463 3.108 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.484 0.571 2.133 1.00 0.00 C ATOM 1036 C VAL A 72 -5.947 0.452 1.702 1.00 0.00 C ATOM 1037 O VAL A 72 -6.294 -0.417 0.903 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.506 0.483 0.960 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.202 0.820 -0.361 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.294 1.388 1.187 1.00 0.00 C ATOM 0 H VAL A 72 -4.445 -1.407 2.822 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.354 1.560 2.573 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.149 -0.545 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.484 0.750 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.017 0.117 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.601 1.833 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.615 1.306 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.625 2.421 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.777 1.082 2.096 1.00 0.00 H new ATOM 1050 N PRO A 73 -6.788 1.361 2.265 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.206 1.366 1.947 1.00 0.00 C ATOM 1052 C PRO A 73 -8.453 1.948 0.554 1.00 0.00 C ATOM 1053 O PRO A 73 -7.854 2.955 0.182 1.00 0.00 O ATOM 1054 CB PRO A 73 -8.854 2.180 3.054 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.733 2.987 3.689 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.413 2.404 3.214 1.00 0.00 C ATOM 0 HA PRO A 73 -8.632 0.363 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.629 2.835 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.332 1.531 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.811 4.037 3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.800 2.944 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.792 3.165 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.839 1.995 4.045 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.338 1.288 -0.179 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.673 1.727 -1.524 1.00 0.00 C ATOM 1066 C ILE A 74 -10.969 2.538 -1.483 1.00 0.00 C ATOM 1067 O ILE A 74 -11.872 2.233 -0.705 1.00 0.00 O ATOM 1068 CB ILE A 74 -9.723 0.533 -2.480 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -8.331 -0.068 -2.681 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.377 0.922 -3.807 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.162 -0.594 -4.108 1.00 0.00 C ATOM 0 H ILE A 74 -9.833 0.453 0.133 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.897 2.386 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.344 -0.241 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.572 0.687 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.175 -0.879 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.400 0.056 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.395 1.266 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.802 1.721 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.164 -1.016 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.907 -1.366 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.295 0.224 -4.816 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.022 3.581 -2.353 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.193 4.438 -2.424 1.00 0.00 C ATOM 1085 C PRO A 75 -13.345 3.734 -3.144 1.00 0.00 C ATOM 1086 O PRO A 75 -13.150 3.144 -4.206 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.721 5.692 -3.142 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.436 5.304 -3.856 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.972 3.972 -3.290 1.00 0.00 C ATOM 0 HA PRO A 75 -12.593 4.686 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.471 6.042 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.546 6.504 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.605 5.224 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.672 6.068 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.847 3.229 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.009 4.069 -2.788 1.00 0.00 H new