USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 60 ASN : amide:sc= -0.0263 K(o=0.19,f=-0.67) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.22 X(o=0.19,f=-0.23) USER MOD Set 2.1: A 22 THR OG1 : rot -99:sc= 1.48 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.87 K(o=3.4,f=-0.0039) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 0.337 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.389 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00206) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -121:sc= 1.21 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.53 (180deg=0.232!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0672) USER MOD Single : A 31 GLN : amide:sc= 1.26 K(o=1.3,f=-0.0072) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 1.26 (180deg=0.844) USER MOD Single : A 40 GLN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.784 X(o=-0.78,f=-0.41) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0.492 (180deg=0.492) USER MOD Single : A 49 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.032) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 166:sc= 0.265 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.291 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.297 -12.255 5.986 1.00 0.00 N ATOM 2 CA MET A 1 -7.424 -12.517 4.820 1.00 0.00 C ATOM 3 C MET A 1 -6.014 -12.064 5.148 1.00 0.00 C ATOM 4 O MET A 1 -5.830 -10.977 5.689 1.00 0.00 O ATOM 5 CB MET A 1 -7.901 -11.766 3.561 1.00 0.00 C ATOM 6 CG MET A 1 -9.341 -12.102 3.176 1.00 0.00 C ATOM 7 SD MET A 1 -9.691 -13.880 3.146 1.00 0.00 S ATOM 8 CE MET A 1 -11.453 -13.865 2.730 1.00 0.00 C ATOM 0 H1 MET A 1 -9.188 -12.781 5.878 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.816 -12.563 6.856 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.501 -11.237 6.045 1.00 0.00 H new ATOM 0 HA MET A 1 -7.458 -13.586 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.817 -10.693 3.731 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.242 -12.009 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.018 -11.619 3.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.552 -11.682 2.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.822 -14.889 2.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.004 -13.323 3.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.595 -13.374 1.767 1.00 0.00 H new ATOM 20 N GLN A 2 -5.015 -12.861 4.784 1.00 0.00 N ATOM 21 CA GLN A 2 -3.628 -12.403 4.680 1.00 0.00 C ATOM 22 C GLN A 2 -3.316 -12.032 3.218 1.00 0.00 C ATOM 23 O GLN A 2 -3.781 -12.717 2.301 1.00 0.00 O ATOM 24 CB GLN A 2 -2.711 -13.507 5.226 1.00 0.00 C ATOM 25 CG GLN A 2 -1.230 -13.109 5.244 1.00 0.00 C ATOM 26 CD GLN A 2 -0.439 -13.919 6.262 1.00 0.00 C ATOM 27 OE1 GLN A 2 0.166 -14.931 5.956 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.567 -13.627 7.539 1.00 0.00 N ATOM 0 H GLN A 2 -5.141 -13.846 4.551 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.461 -11.504 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.024 -13.763 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.832 -14.404 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.802 -13.255 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.142 -12.048 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.069 -12.785 7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.164 -14.242 8.246 1.00 0.00 H new ATOM 37 N ILE A 3 -2.565 -10.948 3.014 1.00 0.00 N ATOM 38 CA ILE A 3 -2.079 -10.457 1.711 1.00 0.00 C ATOM 39 C ILE A 3 -0.638 -9.949 1.880 1.00 0.00 C ATOM 40 O ILE A 3 -0.195 -9.691 3.003 1.00 0.00 O ATOM 41 CB ILE A 3 -3.011 -9.373 1.100 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.923 -8.021 1.848 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.464 -9.869 0.974 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.793 -6.899 1.268 1.00 0.00 C ATOM 0 H ILE A 3 -2.261 -10.356 3.787 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.089 -11.282 0.998 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.646 -9.188 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.208 -8.180 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.884 -7.691 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.081 -9.081 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.494 -10.747 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.846 -10.130 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.662 -5.994 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.496 -6.704 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.840 -7.201 1.293 1.00 0.00 H new ATOM 56 N PHE A 4 0.082 -9.789 0.769 1.00 0.00 N ATOM 57 CA PHE A 4 1.522 -9.529 0.748 1.00 0.00 C ATOM 58 C PHE A 4 1.934 -8.341 -0.131 1.00 0.00 C ATOM 59 O PHE A 4 1.286 -8.076 -1.143 1.00 0.00 O ATOM 60 CB PHE A 4 2.255 -10.806 0.320 1.00 0.00 C ATOM 61 CG PHE A 4 2.039 -11.989 1.246 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.656 -12.027 2.513 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.198 -13.044 0.844 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.438 -13.119 3.368 1.00 0.00 C ATOM 65 CE2 PHE A 4 0.978 -14.136 1.703 1.00 0.00 C ATOM 66 CZ PHE A 4 1.597 -14.174 2.962 1.00 0.00 C ATOM 0 H PHE A 4 -0.329 -9.838 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 4 1.809 -9.244 1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.928 -11.080 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.323 -10.596 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.297 -11.216 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.721 -13.015 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.915 -13.150 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.333 -14.945 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.428 -15.013 3.621 1.00 0.00 H new ATOM 76 N VAL A 5 3.039 -7.659 0.201 1.00 0.00 N ATOM 77 CA VAL A 5 3.670 -6.623 -0.648 1.00 0.00 C ATOM 78 C VAL A 5 5.124 -6.938 -0.992 1.00 0.00 C ATOM 79 O VAL A 5 5.895 -7.285 -0.097 1.00 0.00 O ATOM 80 CB VAL A 5 3.534 -5.191 -0.090 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.836 -4.136 -1.163 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.154 -4.897 0.514 1.00 0.00 C ATOM 0 H VAL A 5 3.532 -7.810 1.081 1.00 0.00 H new ATOM 0 HA VAL A 5 3.098 -6.652 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 5 4.271 -5.132 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.730 -3.140 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.855 -4.268 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.137 -4.250 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.131 -3.873 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.388 -5.023 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.962 -5.586 1.336 1.00 0.00 H new ATOM 92 N LYS A 6 5.510 -6.780 -2.266 1.00 0.00 N ATOM 93 CA LYS A 6 6.862 -6.987 -2.790 1.00 0.00 C ATOM 94 C LYS A 6 7.583 -5.648 -2.853 1.00 0.00 C ATOM 95 O LYS A 6 7.222 -4.824 -3.690 1.00 0.00 O ATOM 96 CB LYS A 6 6.749 -7.670 -4.174 1.00 0.00 C ATOM 97 CG LYS A 6 7.989 -7.568 -5.087 1.00 0.00 C ATOM 98 CD LYS A 6 9.165 -8.369 -4.501 1.00 0.00 C ATOM 99 CE LYS A 6 10.451 -8.363 -5.330 1.00 0.00 C ATOM 100 NZ LYS A 6 10.259 -8.848 -6.715 1.00 0.00 N ATOM 0 H LYS A 6 4.854 -6.490 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 6 7.448 -7.638 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.524 -8.725 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.899 -7.237 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.746 -7.944 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.276 -6.523 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.391 -7.975 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.846 -9.403 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.851 -7.349 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.197 -8.985 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.170 -8.835 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.889 -9.820 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.583 -8.231 -7.208 1.00 0.00 H new ATOM 114 N THR A 7 8.596 -5.416 -2.020 1.00 0.00 N ATOM 115 CA THR A 7 9.483 -4.252 -2.185 1.00 0.00 C ATOM 116 C THR A 7 10.503 -4.377 -3.321 1.00 0.00 C ATOM 117 O THR A 7 10.866 -5.478 -3.740 1.00 0.00 O ATOM 118 CB THR A 7 10.141 -3.751 -0.874 1.00 0.00 C ATOM 119 OG1 THR A 7 11.400 -4.360 -0.671 1.00 0.00 O ATOM 120 CG2 THR A 7 9.304 -3.956 0.386 1.00 0.00 C ATOM 0 H THR A 7 8.827 -6.012 -1.225 1.00 0.00 H new ATOM 0 HA THR A 7 8.788 -3.471 -2.493 1.00 0.00 H new ATOM 0 HB THR A 7 10.240 -2.676 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.082 -3.667 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.848 -3.574 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.360 -3.421 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.106 -5.019 0.522 1.00 0.00 H new ATOM 128 N LEU A 8 11.011 -3.236 -3.789 1.00 0.00 N ATOM 129 CA LEU A 8 12.115 -3.167 -4.763 1.00 0.00 C ATOM 130 C LEU A 8 13.409 -3.817 -4.232 1.00 0.00 C ATOM 131 O LEU A 8 14.193 -4.344 -5.009 1.00 0.00 O ATOM 132 CB LEU A 8 12.371 -1.695 -5.142 1.00 0.00 C ATOM 133 CG LEU A 8 11.166 -0.941 -5.744 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.555 0.516 -5.993 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.695 -1.547 -7.067 1.00 0.00 C ATOM 0 H LEU A 8 10.667 -2.320 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 8 11.817 -3.733 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.702 -1.162 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.192 -1.661 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 8 10.349 -1.018 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.706 1.052 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.843 0.982 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.394 0.555 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.846 -0.978 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.508 -1.513 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.395 -2.583 -6.907 1.00 0.00 H new ATOM 147 N THR A 9 13.581 -3.832 -2.907 1.00 0.00 N ATOM 148 CA THR A 9 14.632 -4.553 -2.164 1.00 0.00 C ATOM 149 C THR A 9 14.526 -6.081 -2.138 1.00 0.00 C ATOM 150 O THR A 9 15.396 -6.754 -1.590 1.00 0.00 O ATOM 151 CB THR A 9 14.757 -4.047 -0.711 1.00 0.00 C ATOM 152 OG1 THR A 9 14.003 -2.865 -0.472 1.00 0.00 O ATOM 153 CG2 THR A 9 16.206 -3.762 -0.310 1.00 0.00 C ATOM 0 H THR A 9 12.959 -3.315 -2.285 1.00 0.00 H new ATOM 0 HA THR A 9 15.526 -4.322 -2.744 1.00 0.00 H new ATOM 0 HB THR A 9 14.360 -4.862 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.115 -2.588 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.236 -3.409 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.794 -4.675 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.622 -2.998 -0.967 1.00 0.00 H new ATOM 161 N GLY A 10 13.415 -6.634 -2.636 1.00 0.00 N ATOM 162 CA GLY A 10 13.094 -8.058 -2.535 1.00 0.00 C ATOM 163 C GLY A 10 12.444 -8.514 -1.224 1.00 0.00 C ATOM 164 O GLY A 10 12.124 -9.696 -1.123 1.00 0.00 O ATOM 0 H GLY A 10 12.703 -6.094 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.427 -8.318 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.012 -8.627 -2.678 1.00 0.00 H new ATOM 168 N LYS A 11 12.174 -7.615 -0.260 1.00 0.00 N ATOM 169 CA LYS A 11 11.424 -7.966 0.960 1.00 0.00 C ATOM 170 C LYS A 11 9.970 -8.273 0.647 1.00 0.00 C ATOM 171 O LYS A 11 9.332 -7.542 -0.086 1.00 0.00 O ATOM 172 CB LYS A 11 11.508 -6.883 2.068 1.00 0.00 C ATOM 173 CG LYS A 11 12.930 -6.707 2.644 1.00 0.00 C ATOM 174 CD LYS A 11 12.938 -6.079 4.045 1.00 0.00 C ATOM 175 CE LYS A 11 12.257 -4.708 4.136 1.00 0.00 C ATOM 176 NZ LYS A 11 12.339 -4.140 5.508 1.00 0.00 N ATOM 0 H LYS A 11 12.465 -6.638 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 11 11.906 -8.862 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.168 -5.930 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.826 -7.147 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.422 -7.679 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.514 -6.082 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.445 -6.761 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.971 -5.979 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.725 -4.022 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.211 -4.802 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.868 -3.213 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.870 -4.782 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.337 -4.027 5.778 1.00 0.00 H new ATOM 190 N THR A 12 9.411 -9.291 1.292 1.00 0.00 N ATOM 191 CA THR A 12 7.956 -9.528 1.411 1.00 0.00 C ATOM 192 C THR A 12 7.357 -8.994 2.718 1.00 0.00 C ATOM 193 O THR A 12 7.738 -9.402 3.811 1.00 0.00 O ATOM 194 CB THR A 12 7.540 -10.981 1.177 1.00 0.00 C ATOM 195 OG1 THR A 12 8.336 -11.577 0.175 1.00 0.00 O ATOM 196 CG2 THR A 12 6.074 -11.090 0.715 1.00 0.00 C ATOM 0 H THR A 12 9.966 -10.004 1.766 1.00 0.00 H new ATOM 0 HA THR A 12 7.532 -8.945 0.594 1.00 0.00 H new ATOM 0 HB THR A 12 7.669 -11.491 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.054 -12.506 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.818 -12.138 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.420 -10.666 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.945 -10.543 -0.219 1.00 0.00 H new ATOM 204 N ILE A 13 6.414 -8.062 2.625 1.00 0.00 N ATOM 205 CA ILE A 13 5.678 -7.492 3.763 1.00 0.00 C ATOM 206 C ILE A 13 4.359 -8.251 3.968 1.00 0.00 C ATOM 207 O ILE A 13 3.644 -8.495 2.995 1.00 0.00 O ATOM 208 CB ILE A 13 5.392 -5.988 3.512 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.593 -5.191 2.965 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.831 -5.339 4.800 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.832 -5.161 3.879 1.00 0.00 C ATOM 0 H ILE A 13 6.127 -7.666 1.730 1.00 0.00 H new ATOM 0 HA ILE A 13 6.286 -7.590 4.662 1.00 0.00 H new ATOM 0 HB ILE A 13 4.646 -5.947 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.881 -5.614 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.274 -4.166 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.632 -4.283 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.905 -5.839 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.560 -5.438 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.620 -4.576 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.568 -4.707 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.186 -6.178 4.046 1.00 0.00 H new ATOM 223 N THR A 14 4.032 -8.584 5.215 1.00 0.00 N ATOM 224 CA THR A 14 2.782 -9.262 5.620 1.00 0.00 C ATOM 225 C THR A 14 1.673 -8.308 6.089 1.00 0.00 C ATOM 226 O THR A 14 1.901 -7.500 6.985 1.00 0.00 O ATOM 227 CB THR A 14 3.056 -10.373 6.673 1.00 0.00 C ATOM 228 OG1 THR A 14 4.206 -11.141 6.355 1.00 0.00 O ATOM 229 CG2 THR A 14 1.881 -11.326 6.781 1.00 0.00 C ATOM 0 H THR A 14 4.645 -8.386 6.006 1.00 0.00 H new ATOM 0 HA THR A 14 2.398 -9.729 4.713 1.00 0.00 H new ATOM 0 HB THR A 14 3.216 -9.855 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.342 -11.826 7.043 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.101 -12.092 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.991 -10.773 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.706 -11.798 5.814 1.00 0.00 H new ATOM 237 N LEU A 15 0.462 -8.422 5.534 1.00 0.00 N ATOM 238 CA LEU A 15 -0.725 -7.621 5.881 1.00 0.00 C ATOM 239 C LEU A 15 -1.945 -8.493 6.223 1.00 0.00 C ATOM 240 O LEU A 15 -2.006 -9.666 5.867 1.00 0.00 O ATOM 241 CB LEU A 15 -1.047 -6.630 4.752 1.00 0.00 C ATOM 242 CG LEU A 15 -0.181 -5.366 4.762 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.385 -4.602 3.453 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.561 -4.431 5.916 1.00 0.00 C ATOM 0 H LEU A 15 0.270 -9.103 4.799 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.487 -7.059 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.923 -7.135 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.095 -6.340 4.826 1.00 0.00 H new ATOM 0 HG LEU A 15 0.856 -5.678 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.230 -3.702 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.096 -5.235 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.434 -4.324 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.074 -3.546 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.604 -4.132 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.423 -4.950 6.865 1.00 0.00 H new ATOM 256 N GLU A 16 -2.900 -7.914 6.956 1.00 0.00 N ATOM 257 CA GLU A 16 -3.858 -8.657 7.787 1.00 0.00 C ATOM 258 C GLU A 16 -5.193 -7.878 7.841 1.00 0.00 C ATOM 259 O GLU A 16 -5.299 -6.875 8.544 1.00 0.00 O ATOM 260 CB GLU A 16 -3.173 -8.826 9.163 1.00 0.00 C ATOM 261 CG GLU A 16 -3.798 -9.863 10.101 1.00 0.00 C ATOM 262 CD GLU A 16 -2.752 -10.412 11.099 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.867 -9.655 11.570 1.00 0.00 O ATOM 264 OE2 GLU A 16 -2.757 -11.639 11.353 1.00 0.00 O ATOM 0 H GLU A 16 -3.033 -6.903 6.991 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.111 -9.642 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.130 -9.097 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.175 -7.860 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.625 -9.411 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.213 -10.684 9.516 1.00 0.00 H new ATOM 271 N VAL A 17 -6.156 -8.263 6.991 1.00 0.00 N ATOM 272 CA VAL A 17 -7.323 -7.434 6.594 1.00 0.00 C ATOM 273 C VAL A 17 -8.566 -8.274 6.258 1.00 0.00 C ATOM 274 O VAL A 17 -8.476 -9.483 6.022 1.00 0.00 O ATOM 275 CB VAL A 17 -6.976 -6.511 5.399 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.834 -5.535 5.706 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.608 -7.290 4.129 1.00 0.00 C ATOM 0 H VAL A 17 -6.153 -9.180 6.545 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.565 -6.822 7.463 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.893 -5.948 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.639 -4.917 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.115 -4.898 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.935 -6.096 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.375 -6.589 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.739 -7.918 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.448 -7.917 3.830 1.00 0.00 H new ATOM 287 N GLU A 18 -9.747 -7.654 6.226 1.00 0.00 N ATOM 288 CA GLU A 18 -10.985 -8.282 5.742 1.00 0.00 C ATOM 289 C GLU A 18 -11.153 -8.212 4.213 1.00 0.00 C ATOM 290 O GLU A 18 -10.669 -7.271 3.593 1.00 0.00 O ATOM 291 CB GLU A 18 -12.200 -7.615 6.399 1.00 0.00 C ATOM 292 CG GLU A 18 -12.403 -8.037 7.864 1.00 0.00 C ATOM 293 CD GLU A 18 -13.861 -8.355 8.242 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.793 -8.185 7.417 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.045 -8.849 9.379 1.00 0.00 O ATOM 0 H GLU A 18 -9.876 -6.691 6.538 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.916 -9.335 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.082 -6.532 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.095 -7.863 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.790 -8.916 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.039 -7.240 8.512 1.00 0.00 H new ATOM 302 N PRO A 19 -11.918 -9.124 3.572 1.00 0.00 N ATOM 303 CA PRO A 19 -12.332 -8.937 2.174 1.00 0.00 C ATOM 304 C PRO A 19 -13.317 -7.764 1.998 1.00 0.00 C ATOM 305 O PRO A 19 -13.522 -7.301 0.880 1.00 0.00 O ATOM 306 CB PRO A 19 -12.984 -10.267 1.787 1.00 0.00 C ATOM 307 CG PRO A 19 -13.631 -10.722 3.095 1.00 0.00 C ATOM 308 CD PRO A 19 -12.635 -10.256 4.161 1.00 0.00 C ATOM 0 HA PRO A 19 -11.483 -8.682 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.721 -10.140 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.250 -10.988 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.613 -10.270 3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.771 -11.803 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.151 -9.959 5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.947 -11.057 4.430 1.00 0.00 H new ATOM 316 N SER A 20 -13.928 -7.305 3.099 1.00 0.00 N ATOM 317 CA SER A 20 -14.792 -6.126 3.176 1.00 0.00 C ATOM 318 C SER A 20 -14.015 -4.801 3.245 1.00 0.00 C ATOM 319 O SER A 20 -14.620 -3.742 3.064 1.00 0.00 O ATOM 320 CB SER A 20 -15.709 -6.265 4.403 1.00 0.00 C ATOM 321 OG SER A 20 -14.970 -6.156 5.610 1.00 0.00 O ATOM 0 H SER A 20 -13.826 -7.770 4.001 1.00 0.00 H new ATOM 0 HA SER A 20 -15.374 -6.086 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.479 -5.494 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.220 -7.227 4.372 1.00 0.00 H new ATOM 0 HG SER A 20 -15.078 -6.977 6.135 1.00 0.00 H new ATOM 327 N ASP A 21 -12.694 -4.829 3.472 1.00 0.00 N ATOM 328 CA ASP A 21 -11.869 -3.625 3.481 1.00 0.00 C ATOM 329 C ASP A 21 -11.815 -2.841 2.160 1.00 0.00 C ATOM 330 O ASP A 21 -11.634 -3.386 1.065 1.00 0.00 O ATOM 331 CB ASP A 21 -10.485 -3.848 4.113 1.00 0.00 C ATOM 332 CG ASP A 21 -10.471 -3.836 5.650 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.963 -2.823 6.203 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.881 -4.762 6.257 1.00 0.00 O ATOM 0 H ASP A 21 -12.174 -5.687 3.653 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.410 -2.952 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.093 -4.804 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.807 -3.075 3.751 1.00 0.00 H new ATOM 339 N THR A 22 -11.974 -1.523 2.273 1.00 0.00 N ATOM 340 CA THR A 22 -11.813 -0.573 1.170 1.00 0.00 C ATOM 341 C THR A 22 -10.375 -0.329 0.704 1.00 0.00 C ATOM 342 O THR A 22 -9.403 -0.531 1.436 1.00 0.00 O ATOM 343 CB THR A 22 -12.587 0.737 1.377 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.753 1.656 2.022 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.887 0.634 2.170 1.00 0.00 C ATOM 0 H THR A 22 -12.224 -1.074 3.154 1.00 0.00 H new ATOM 0 HA THR A 22 -12.279 -1.094 0.334 1.00 0.00 H new ATOM 0 HB THR A 22 -12.881 1.049 0.375 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.956 1.666 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.343 1.621 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.572 -0.042 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.675 0.250 3.168 1.00 0.00 H new ATOM 353 N ILE A 23 -10.213 0.155 -0.521 1.00 0.00 N ATOM 354 CA ILE A 23 -8.916 0.554 -1.094 1.00 0.00 C ATOM 355 C ILE A 23 -8.382 1.854 -0.438 1.00 0.00 C ATOM 356 O ILE A 23 -7.208 2.184 -0.606 1.00 0.00 O ATOM 357 CB ILE A 23 -9.055 0.646 -2.642 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.477 -0.700 -3.275 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.732 1.062 -3.307 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.540 -1.897 -3.047 1.00 0.00 C ATOM 0 H ILE A 23 -10.992 0.287 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.162 -0.201 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.826 1.397 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.463 -0.962 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.583 -0.552 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.869 1.115 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.427 2.039 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.961 0.327 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.949 -2.778 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.556 -1.673 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.450 -2.090 -1.978 1.00 0.00 H new ATOM 372 N GLU A 24 -9.163 2.556 0.397 1.00 0.00 N ATOM 373 CA GLU A 24 -8.604 3.485 1.397 1.00 0.00 C ATOM 374 C GLU A 24 -8.320 2.858 2.780 1.00 0.00 C ATOM 375 O GLU A 24 -7.227 3.083 3.287 1.00 0.00 O ATOM 376 CB GLU A 24 -9.464 4.758 1.504 1.00 0.00 C ATOM 377 CG GLU A 24 -10.975 4.641 1.703 1.00 0.00 C ATOM 378 CD GLU A 24 -11.709 6.010 1.708 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.068 7.089 1.752 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.959 5.967 1.669 1.00 0.00 O ATOM 0 H GLU A 24 -10.181 2.500 0.402 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.618 3.759 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.072 5.346 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.300 5.338 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.390 4.018 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.170 4.130 2.646 1.00 0.00 H new ATOM 387 N ASN A 25 -9.186 1.997 3.345 1.00 0.00 N ATOM 388 CA ASN A 25 -8.976 1.214 4.578 1.00 0.00 C ATOM 389 C ASN A 25 -7.579 0.568 4.657 1.00 0.00 C ATOM 390 O ASN A 25 -6.787 0.814 5.572 1.00 0.00 O ATOM 391 CB ASN A 25 -10.026 0.074 4.713 1.00 0.00 C ATOM 392 CG ASN A 25 -11.391 0.515 5.195 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.876 1.568 4.880 1.00 0.00 O ATOM 394 ND2 ASN A 25 -12.059 -0.268 5.972 1.00 0.00 N ATOM 0 H ASN A 25 -10.101 1.819 2.932 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.080 1.936 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.139 -0.412 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.639 -0.676 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.981 0.011 6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.665 -1.167 6.251 1.00 0.00 H new ATOM 401 N VAL A 26 -7.230 -0.253 3.667 1.00 0.00 N ATOM 402 CA VAL A 26 -5.938 -0.956 3.620 1.00 0.00 C ATOM 403 C VAL A 26 -4.754 -0.012 3.418 1.00 0.00 C ATOM 404 O VAL A 26 -3.699 -0.199 4.028 1.00 0.00 O ATOM 405 CB VAL A 26 -5.947 -2.063 2.551 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.663 -2.911 2.565 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.142 -3.006 2.746 1.00 0.00 C ATOM 0 H VAL A 26 -7.834 -0.453 2.870 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.804 -1.419 4.598 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.018 -1.548 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.724 -3.676 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.802 -2.270 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.553 -3.388 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.125 -3.779 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.082 -3.471 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.070 -2.439 2.669 1.00 0.00 H new ATOM 417 N LYS A 27 -4.936 1.050 2.618 1.00 0.00 N ATOM 418 CA LYS A 27 -3.938 2.122 2.461 1.00 0.00 C ATOM 419 C LYS A 27 -3.718 2.940 3.736 1.00 0.00 C ATOM 420 O LYS A 27 -2.686 3.591 3.819 1.00 0.00 O ATOM 421 CB LYS A 27 -4.285 3.068 1.290 1.00 0.00 C ATOM 422 CG LYS A 27 -3.454 2.797 0.023 1.00 0.00 C ATOM 423 CD LYS A 27 -3.936 1.589 -0.802 1.00 0.00 C ATOM 424 CE LYS A 27 -4.193 1.948 -2.276 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.233 2.996 -2.432 1.00 0.00 N ATOM 0 H LYS A 27 -5.779 1.191 2.061 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.004 1.606 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.344 2.966 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.128 4.099 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.475 3.685 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.415 2.635 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.190 0.796 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.852 1.195 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.264 2.292 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.500 1.053 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.636 2.945 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.986 2.845 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.806 3.933 -2.285 1.00 0.00 H new ATOM 439 N ALA A 28 -4.622 2.873 4.716 1.00 0.00 N ATOM 440 CA ALA A 28 -4.433 3.443 6.055 1.00 0.00 C ATOM 441 C ALA A 28 -3.816 2.428 7.040 1.00 0.00 C ATOM 442 O ALA A 28 -2.780 2.704 7.649 1.00 0.00 O ATOM 443 CB ALA A 28 -5.778 3.990 6.553 1.00 0.00 C ATOM 0 H ALA A 28 -5.525 2.412 4.600 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.715 4.261 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.651 4.417 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.132 4.762 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.507 3.181 6.596 1.00 0.00 H new ATOM 449 N LYS A 29 -4.376 1.210 7.143 1.00 0.00 N ATOM 450 CA LYS A 29 -3.872 0.148 8.046 1.00 0.00 C ATOM 451 C LYS A 29 -2.402 -0.222 7.812 1.00 0.00 C ATOM 452 O LYS A 29 -1.709 -0.596 8.751 1.00 0.00 O ATOM 453 CB LYS A 29 -4.751 -1.116 7.975 1.00 0.00 C ATOM 454 CG LYS A 29 -6.161 -0.920 8.558 1.00 0.00 C ATOM 455 CD LYS A 29 -7.000 -2.211 8.460 1.00 0.00 C ATOM 456 CE LYS A 29 -7.027 -3.083 9.730 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.657 -2.417 10.900 1.00 0.00 N ATOM 0 H LYS A 29 -5.194 0.929 6.602 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.932 0.575 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.838 -1.430 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.254 -1.924 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.085 -0.613 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.667 -0.115 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.024 -1.939 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.615 -2.812 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.566 -4.006 9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.006 -3.363 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.794 -3.111 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.040 -1.650 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.578 -2.023 10.621 1.00 0.00 H new ATOM 471 N ILE A 30 -1.886 -0.071 6.593 1.00 0.00 N ATOM 472 CA ILE A 30 -0.467 -0.322 6.286 1.00 0.00 C ATOM 473 C ILE A 30 0.491 0.628 7.038 1.00 0.00 C ATOM 474 O ILE A 30 1.605 0.222 7.379 1.00 0.00 O ATOM 475 CB ILE A 30 -0.264 -0.279 4.757 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.088 -0.906 4.379 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.381 1.143 4.196 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.344 -0.984 2.868 1.00 0.00 C ATOM 0 H ILE A 30 -2.434 0.228 5.787 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.208 -1.317 6.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.064 -0.865 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.887 -0.327 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.139 -1.911 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.231 1.122 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.372 1.541 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.376 1.779 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.318 -1.438 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.568 -1.589 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.327 0.020 2.444 1.00 0.00 H new ATOM 490 N GLN A 31 0.077 1.865 7.354 1.00 0.00 N ATOM 491 CA GLN A 31 0.871 2.764 8.205 1.00 0.00 C ATOM 492 C GLN A 31 0.873 2.352 9.689 1.00 0.00 C ATOM 493 O GLN A 31 1.801 2.695 10.415 1.00 0.00 O ATOM 494 CB GLN A 31 0.377 4.217 8.095 1.00 0.00 C ATOM 495 CG GLN A 31 0.819 4.939 6.813 1.00 0.00 C ATOM 496 CD GLN A 31 -0.285 4.989 5.765 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.320 5.605 5.952 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.122 4.340 4.637 1.00 0.00 N ATOM 0 H GLN A 31 -0.804 2.266 7.032 1.00 0.00 H new ATOM 0 HA GLN A 31 1.892 2.686 7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.712 4.223 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.738 4.778 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.129 5.955 7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.690 4.433 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.739 3.820 4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.856 4.355 3.929 1.00 0.00 H new ATOM 507 N ASP A 32 -0.161 1.640 10.134 1.00 0.00 N ATOM 508 CA ASP A 32 -0.294 1.060 11.478 1.00 0.00 C ATOM 509 C ASP A 32 0.482 -0.259 11.691 1.00 0.00 C ATOM 510 O ASP A 32 1.247 -0.393 12.644 1.00 0.00 O ATOM 511 CB ASP A 32 -1.797 1.015 11.825 1.00 0.00 C ATOM 512 CG ASP A 32 -2.201 0.184 13.048 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.063 0.715 14.172 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.789 -0.911 12.862 1.00 0.00 O ATOM 0 H ASP A 32 -0.968 1.440 9.544 1.00 0.00 H new ATOM 0 HA ASP A 32 0.207 1.702 12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.140 2.038 11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.334 0.628 10.959 1.00 0.00 H new ATOM 519 N LYS A 33 0.355 -1.190 10.731 1.00 0.00 N ATOM 520 CA LYS A 33 0.908 -2.560 10.790 1.00 0.00 C ATOM 521 C LYS A 33 2.429 -2.642 10.573 1.00 0.00 C ATOM 522 O LYS A 33 3.075 -3.483 11.189 1.00 0.00 O ATOM 523 CB LYS A 33 0.142 -3.422 9.762 1.00 0.00 C ATOM 524 CG LYS A 33 -0.153 -4.870 10.195 1.00 0.00 C ATOM 525 CD LYS A 33 1.019 -5.858 10.081 1.00 0.00 C ATOM 526 CE LYS A 33 0.509 -7.304 10.196 1.00 0.00 C ATOM 527 NZ LYS A 33 0.065 -7.655 11.568 1.00 0.00 N ATOM 0 H LYS A 33 -0.151 -1.008 9.864 1.00 0.00 H new ATOM 0 HA LYS A 33 0.766 -2.937 11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.804 -2.930 9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.717 -3.449 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.492 -4.857 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.980 -5.247 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.529 -5.720 9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.749 -5.659 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.321 -7.447 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.301 -7.988 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.725 -8.330 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.855 -8.087 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.247 -6.795 12.063 1.00 0.00 H new ATOM 541 N GLU A 34 2.996 -1.814 9.687 1.00 0.00 N ATOM 542 CA GLU A 34 4.440 -1.807 9.370 1.00 0.00 C ATOM 543 C GLU A 34 5.030 -0.413 9.061 1.00 0.00 C ATOM 544 O GLU A 34 6.252 -0.257 9.032 1.00 0.00 O ATOM 545 CB GLU A 34 4.677 -2.801 8.216 1.00 0.00 C ATOM 546 CG GLU A 34 6.108 -2.922 7.669 1.00 0.00 C ATOM 547 CD GLU A 34 7.200 -3.317 8.686 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.885 -3.723 9.832 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.401 -3.197 8.351 1.00 0.00 O ATOM 0 H GLU A 34 2.464 -1.120 9.161 1.00 0.00 H new ATOM 0 HA GLU A 34 4.978 -2.115 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.360 -3.788 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.023 -2.520 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.106 -3.659 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.385 -1.967 7.223 1.00 0.00 H new ATOM 556 N GLY A 35 4.199 0.613 8.847 1.00 0.00 N ATOM 557 CA GLY A 35 4.668 1.995 8.691 1.00 0.00 C ATOM 558 C GLY A 35 5.083 2.392 7.272 1.00 0.00 C ATOM 559 O GLY A 35 6.051 3.130 7.110 1.00 0.00 O ATOM 0 H GLY A 35 3.187 0.510 8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.877 2.668 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.517 2.150 9.356 1.00 0.00 H new ATOM 563 N ILE A 36 4.366 1.935 6.234 1.00 0.00 N ATOM 564 CA ILE A 36 4.613 2.337 4.835 1.00 0.00 C ATOM 565 C ILE A 36 3.694 3.521 4.441 1.00 0.00 C ATOM 566 O ILE A 36 2.514 3.282 4.174 1.00 0.00 O ATOM 567 CB ILE A 36 4.473 1.107 3.905 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.528 0.023 4.279 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.606 1.468 2.415 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.244 -1.331 3.612 1.00 0.00 C ATOM 0 H ILE A 36 3.596 1.274 6.338 1.00 0.00 H new ATOM 0 HA ILE A 36 5.635 2.700 4.724 1.00 0.00 H new ATOM 0 HB ILE A 36 3.467 0.714 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.519 0.368 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.544 -0.105 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.499 0.567 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.828 2.181 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.585 1.912 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.009 -2.049 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.265 -1.694 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.256 -1.212 2.529 1.00 0.00 H new ATOM 582 N PRO A 37 4.160 4.793 4.398 1.00 0.00 N ATOM 583 CA PRO A 37 3.347 5.963 4.020 1.00 0.00 C ATOM 584 C PRO A 37 3.284 6.197 2.496 1.00 0.00 C ATOM 585 O PRO A 37 4.223 5.825 1.794 1.00 0.00 O ATOM 586 CB PRO A 37 4.031 7.151 4.705 1.00 0.00 C ATOM 587 CG PRO A 37 5.510 6.766 4.625 1.00 0.00 C ATOM 588 CD PRO A 37 5.468 5.253 4.847 1.00 0.00 C ATOM 0 HA PRO A 37 2.311 5.819 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.827 8.090 4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.698 7.273 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.945 7.023 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.103 7.272 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.263 4.759 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.621 5.013 5.899 1.00 0.00 H new ATOM 596 N PRO A 38 2.243 6.862 1.957 1.00 0.00 N ATOM 597 CA PRO A 38 2.118 7.128 0.520 1.00 0.00 C ATOM 598 C PRO A 38 3.175 8.104 -0.036 1.00 0.00 C ATOM 599 O PRO A 38 3.548 8.011 -1.202 1.00 0.00 O ATOM 600 CB PRO A 38 0.700 7.680 0.347 1.00 0.00 C ATOM 601 CG PRO A 38 0.402 8.343 1.692 1.00 0.00 C ATOM 602 CD PRO A 38 1.106 7.418 2.683 1.00 0.00 C ATOM 0 HA PRO A 38 2.293 6.215 -0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.646 8.396 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.014 6.887 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.793 9.359 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.669 8.404 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.434 7.966 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.437 6.630 3.027 1.00 0.00 H new ATOM 610 N ASP A 39 3.698 9.024 0.781 1.00 0.00 N ATOM 611 CA ASP A 39 4.697 10.007 0.340 1.00 0.00 C ATOM 612 C ASP A 39 6.068 9.465 -0.100 1.00 0.00 C ATOM 613 O ASP A 39 6.876 10.194 -0.671 1.00 0.00 O ATOM 614 CB ASP A 39 4.769 11.200 1.314 1.00 0.00 C ATOM 615 CG ASP A 39 3.607 12.196 1.187 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.889 12.172 0.159 1.00 0.00 O ATOM 617 OD2 ASP A 39 3.423 13.004 2.120 1.00 0.00 O ATOM 0 H ASP A 39 3.442 9.109 1.765 1.00 0.00 H new ATOM 0 HA ASP A 39 4.316 10.373 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.794 10.819 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.706 11.731 1.149 1.00 0.00 H new ATOM 622 N GLN A 40 6.333 8.174 0.113 1.00 0.00 N ATOM 623 CA GLN A 40 7.605 7.528 -0.257 1.00 0.00 C ATOM 624 C GLN A 40 7.464 6.552 -1.450 1.00 0.00 C ATOM 625 O GLN A 40 8.457 6.256 -2.116 1.00 0.00 O ATOM 626 CB GLN A 40 8.141 6.841 1.019 1.00 0.00 C ATOM 627 CG GLN A 40 9.459 6.062 0.890 1.00 0.00 C ATOM 628 CD GLN A 40 10.676 6.888 0.484 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.447 7.364 1.303 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.820 7.207 -0.782 1.00 0.00 N ATOM 0 H GLN A 40 5.667 7.537 0.551 1.00 0.00 H new ATOM 0 HA GLN A 40 8.315 8.273 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.273 7.605 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.376 6.155 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.671 5.581 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.320 5.268 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.186 6.820 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.566 7.842 -1.066 1.00 0.00 H new ATOM 639 N ASN A 41 6.279 6.006 -1.735 1.00 0.00 N ATOM 640 CA ASN A 41 6.109 4.793 -2.562 1.00 0.00 C ATOM 641 C ASN A 41 4.655 4.671 -3.113 1.00 0.00 C ATOM 642 O ASN A 41 3.807 5.502 -2.799 1.00 0.00 O ATOM 643 CB ASN A 41 6.490 3.610 -1.644 1.00 0.00 C ATOM 644 CG ASN A 41 5.537 3.478 -0.472 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.437 2.974 -0.586 1.00 0.00 O ATOM 646 ND2 ASN A 41 5.936 3.931 0.688 1.00 0.00 N ATOM 0 H ASN A 41 5.397 6.392 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 41 6.742 4.819 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.486 2.686 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.505 3.750 -1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.323 3.862 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.860 4.353 0.780 1.00 0.00 H new ATOM 653 N ARG A 42 4.324 3.639 -3.903 1.00 0.00 N ATOM 654 CA ARG A 42 2.951 3.396 -4.416 1.00 0.00 C ATOM 655 C ARG A 42 2.670 1.897 -4.621 1.00 0.00 C ATOM 656 O ARG A 42 3.482 1.165 -5.176 1.00 0.00 O ATOM 657 CB ARG A 42 2.755 4.198 -5.735 1.00 0.00 C ATOM 658 CG ARG A 42 1.741 5.333 -5.557 1.00 0.00 C ATOM 659 CD ARG A 42 1.637 6.228 -6.796 1.00 0.00 C ATOM 660 NE ARG A 42 0.516 7.194 -6.672 1.00 0.00 N ATOM 661 CZ ARG A 42 0.423 8.399 -7.209 1.00 0.00 C ATOM 662 NH1 ARG A 42 1.352 8.901 -7.976 1.00 0.00 N ATOM 663 NH2 ARG A 42 -0.623 9.136 -6.979 1.00 0.00 N ATOM 0 H ARG A 42 5.000 2.940 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 42 2.232 3.741 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.711 4.610 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.416 3.526 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.761 4.909 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.027 5.940 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.573 6.770 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.491 5.610 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.277 6.892 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.191 8.359 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.239 9.835 -8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.373 8.785 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.693 10.065 -7.394 1.00 0.00 H new ATOM 677 N LEU A 43 1.504 1.430 -4.183 1.00 0.00 N ATOM 678 CA LEU A 43 1.094 0.022 -4.254 1.00 0.00 C ATOM 679 C LEU A 43 0.535 -0.314 -5.645 1.00 0.00 C ATOM 680 O LEU A 43 -0.471 0.270 -6.059 1.00 0.00 O ATOM 681 CB LEU A 43 0.027 -0.269 -3.174 1.00 0.00 C ATOM 682 CG LEU A 43 0.513 -0.467 -1.725 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.421 -1.687 -1.584 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.227 0.749 -1.130 1.00 0.00 C ATOM 0 H LEU A 43 0.798 2.031 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 43 1.970 -0.602 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.689 0.553 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.516 -1.166 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.406 -0.620 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.739 -1.786 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.877 -2.582 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.297 -1.564 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.536 0.526 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.105 0.986 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.549 1.603 -1.125 1.00 0.00 H new ATOM 696 N ILE A 44 1.146 -1.288 -6.328 1.00 0.00 N ATOM 697 CA ILE A 44 0.632 -1.858 -7.596 1.00 0.00 C ATOM 698 C ILE A 44 0.054 -3.272 -7.403 1.00 0.00 C ATOM 699 O ILE A 44 0.658 -4.103 -6.726 1.00 0.00 O ATOM 700 CB ILE A 44 1.744 -1.855 -8.673 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.382 -0.463 -8.869 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.267 -2.404 -10.032 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.426 0.665 -9.291 1.00 0.00 C ATOM 0 H ILE A 44 2.021 -1.713 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.188 -1.225 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 44 2.507 -2.530 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.865 -0.172 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.166 -0.548 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.091 -2.376 -10.745 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.927 -3.432 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.445 -1.792 -10.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.985 1.595 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.960 0.410 -10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.654 0.791 -8.532 1.00 0.00 H new ATOM 715 N PHE A 45 -1.056 -3.611 -8.071 1.00 0.00 N ATOM 716 CA PHE A 45 -1.505 -5.009 -8.207 1.00 0.00 C ATOM 717 C PHE A 45 -1.841 -5.468 -9.633 1.00 0.00 C ATOM 718 O PHE A 45 -2.602 -4.799 -10.326 1.00 0.00 O ATOM 719 CB PHE A 45 -2.574 -5.367 -7.172 1.00 0.00 C ATOM 720 CG PHE A 45 -3.194 -6.737 -7.355 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.462 -7.877 -6.983 1.00 0.00 C ATOM 722 CD2 PHE A 45 -4.478 -6.885 -7.916 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.002 -9.160 -7.186 1.00 0.00 C ATOM 724 CE2 PHE A 45 -5.020 -8.167 -8.094 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.284 -9.308 -7.730 1.00 0.00 C ATOM 0 H PHE A 45 -1.665 -2.934 -8.530 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.623 -5.606 -7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.131 -5.313 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.364 -4.617 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.483 -7.768 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.044 -6.013 -8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.426 -10.034 -6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.009 -8.278 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.705 -10.293 -7.869 1.00 0.00 H new ATOM 735 N ALA A 46 -1.257 -6.589 -10.085 1.00 0.00 N ATOM 736 CA ALA A 46 -1.462 -7.167 -11.422 1.00 0.00 C ATOM 737 C ALA A 46 -1.462 -6.104 -12.551 1.00 0.00 C ATOM 738 O ALA A 46 -2.428 -5.966 -13.304 1.00 0.00 O ATOM 739 CB ALA A 46 -2.709 -8.061 -11.385 1.00 0.00 C ATOM 0 H ALA A 46 -0.611 -7.134 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.610 -7.795 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.874 -8.497 -12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.564 -8.858 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.576 -7.464 -11.103 1.00 0.00 H new ATOM 745 N GLY A 47 -0.394 -5.298 -12.608 1.00 0.00 N ATOM 746 CA GLY A 47 -0.174 -4.236 -13.608 1.00 0.00 C ATOM 747 C GLY A 47 -0.989 -2.945 -13.394 1.00 0.00 C ATOM 748 O GLY A 47 -0.781 -1.983 -14.135 1.00 0.00 O ATOM 0 H GLY A 47 0.370 -5.367 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.885 -3.980 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.410 -4.635 -14.594 1.00 0.00 H new ATOM 752 N LYS A 48 -1.886 -2.895 -12.394 1.00 0.00 N ATOM 753 CA LYS A 48 -2.833 -1.790 -12.143 1.00 0.00 C ATOM 754 C LYS A 48 -2.501 -1.003 -10.869 1.00 0.00 C ATOM 755 O LYS A 48 -2.104 -1.571 -9.851 1.00 0.00 O ATOM 756 CB LYS A 48 -4.271 -2.343 -12.052 1.00 0.00 C ATOM 757 CG LYS A 48 -4.711 -3.082 -13.327 1.00 0.00 C ATOM 758 CD LYS A 48 -6.012 -3.876 -13.121 1.00 0.00 C ATOM 759 CE LYS A 48 -6.154 -4.986 -14.172 1.00 0.00 C ATOM 760 NZ LYS A 48 -5.173 -6.082 -13.961 1.00 0.00 N ATOM 0 H LYS A 48 -1.976 -3.649 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.747 -1.099 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.340 -3.022 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.960 -1.520 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.852 -2.361 -14.132 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.919 -3.761 -13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.021 -4.313 -12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.867 -3.202 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.165 -5.392 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.016 -4.563 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.303 -6.810 -14.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.208 -5.700 -14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.320 -6.504 -13.022 1.00 0.00 H new ATOM 774 N GLN A 49 -2.705 0.307 -10.917 1.00 0.00 N ATOM 775 CA GLN A 49 -2.737 1.175 -9.731 1.00 0.00 C ATOM 776 C GLN A 49 -4.087 0.993 -8.992 1.00 0.00 C ATOM 777 O GLN A 49 -5.067 0.542 -9.588 1.00 0.00 O ATOM 778 CB GLN A 49 -2.503 2.618 -10.226 1.00 0.00 C ATOM 779 CG GLN A 49 -2.093 3.631 -9.144 1.00 0.00 C ATOM 780 CD GLN A 49 -3.246 4.310 -8.409 1.00 0.00 C ATOM 781 OE1 GLN A 49 -3.271 4.350 -7.189 1.00 0.00 O ATOM 782 NE2 GLN A 49 -4.234 4.847 -9.087 1.00 0.00 N ATOM 0 H GLN A 49 -2.856 0.811 -11.791 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.961 0.923 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.729 2.599 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.417 2.972 -10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.468 3.121 -8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.476 4.401 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.226 4.821 -10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.009 5.290 -8.594 1.00 0.00 H new ATOM 791 N LEU A 50 -4.140 1.322 -7.696 1.00 0.00 N ATOM 792 CA LEU A 50 -5.263 1.023 -6.794 1.00 0.00 C ATOM 793 C LEU A 50 -5.876 2.301 -6.205 1.00 0.00 C ATOM 794 O LEU A 50 -5.409 2.807 -5.181 1.00 0.00 O ATOM 795 CB LEU A 50 -4.774 0.057 -5.695 1.00 0.00 C ATOM 796 CG LEU A 50 -4.293 -1.318 -6.198 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.766 -2.120 -5.008 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.427 -2.108 -6.850 1.00 0.00 C ATOM 0 H LEU A 50 -3.381 1.819 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.061 0.543 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.958 0.533 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.584 -0.098 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.514 -1.154 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.422 -3.096 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.936 -1.584 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.563 -2.252 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.049 -3.072 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.224 -2.268 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.818 -1.549 -7.700 1.00 0.00 H new ATOM 810 N GLU A 51 -6.925 2.820 -6.841 1.00 0.00 N ATOM 811 CA GLU A 51 -7.590 4.079 -6.469 1.00 0.00 C ATOM 812 C GLU A 51 -8.647 3.885 -5.360 1.00 0.00 C ATOM 813 O GLU A 51 -9.285 2.833 -5.251 1.00 0.00 O ATOM 814 CB GLU A 51 -8.183 4.691 -7.746 1.00 0.00 C ATOM 815 CG GLU A 51 -8.610 6.162 -7.589 1.00 0.00 C ATOM 816 CD GLU A 51 -9.227 6.772 -8.863 1.00 0.00 C ATOM 817 OE1 GLU A 51 -9.198 6.156 -9.954 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.769 7.897 -8.781 1.00 0.00 O ATOM 0 H GLU A 51 -7.351 2.369 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.861 4.765 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.448 4.619 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.047 4.102 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.332 6.236 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.742 6.753 -7.299 1.00 0.00 H new ATOM 825 N ASP A 52 -8.819 4.894 -4.500 1.00 0.00 N ATOM 826 CA ASP A 52 -9.839 4.939 -3.450 1.00 0.00 C ATOM 827 C ASP A 52 -11.312 4.802 -3.887 1.00 0.00 C ATOM 828 O ASP A 52 -11.658 4.973 -5.052 1.00 0.00 O ATOM 829 CB ASP A 52 -9.588 6.077 -2.432 1.00 0.00 C ATOM 830 CG ASP A 52 -9.015 7.388 -2.992 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.889 7.363 -3.537 1.00 0.00 O ATOM 832 OD2 ASP A 52 -9.608 8.470 -2.784 1.00 0.00 O ATOM 0 H ASP A 52 -8.233 5.728 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.691 3.995 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.531 6.303 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.905 5.706 -1.668 1.00 0.00 H new ATOM 837 N GLY A 53 -12.190 4.439 -2.942 1.00 0.00 N ATOM 838 CA GLY A 53 -13.635 4.286 -3.161 1.00 0.00 C ATOM 839 C GLY A 53 -14.119 2.870 -3.519 1.00 0.00 C ATOM 840 O GLY A 53 -15.308 2.606 -3.372 1.00 0.00 O ATOM 0 H GLY A 53 -11.909 4.239 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.155 4.608 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.934 4.963 -3.961 1.00 0.00 H new ATOM 844 N ARG A 54 -13.234 1.951 -3.933 1.00 0.00 N ATOM 845 CA ARG A 54 -13.571 0.525 -4.166 1.00 0.00 C ATOM 846 C ARG A 54 -13.193 -0.381 -2.977 1.00 0.00 C ATOM 847 O ARG A 54 -12.593 0.084 -2.010 1.00 0.00 O ATOM 848 CB ARG A 54 -12.915 0.032 -5.465 1.00 0.00 C ATOM 849 CG ARG A 54 -13.258 0.872 -6.704 1.00 0.00 C ATOM 850 CD ARG A 54 -13.151 0.000 -7.962 1.00 0.00 C ATOM 851 NE ARG A 54 -13.165 0.808 -9.194 1.00 0.00 N ATOM 852 CZ ARG A 54 -12.413 0.631 -10.262 1.00 0.00 C ATOM 853 NH1 ARG A 54 -11.587 -0.364 -10.413 1.00 0.00 N ATOM 854 NH2 ARG A 54 -12.468 1.488 -11.230 1.00 0.00 N ATOM 0 H ARG A 54 -12.255 2.171 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.655 0.462 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.833 0.026 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.220 -0.999 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.266 1.276 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.579 1.722 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.232 -0.584 -7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.979 -0.709 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.825 1.585 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.494 -1.065 -9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.033 -0.442 -11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.090 2.294 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.889 1.358 -12.060 1.00 0.00 H new ATOM 868 N THR A 55 -13.490 -1.673 -3.068 1.00 0.00 N ATOM 869 CA THR A 55 -13.033 -2.741 -2.142 1.00 0.00 C ATOM 870 C THR A 55 -11.870 -3.600 -2.672 1.00 0.00 C ATOM 871 O THR A 55 -11.539 -3.553 -3.856 1.00 0.00 O ATOM 872 CB THR A 55 -14.200 -3.627 -1.672 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.514 -4.547 -2.688 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.482 -2.881 -1.301 1.00 0.00 C ATOM 0 H THR A 55 -14.081 -2.036 -3.816 1.00 0.00 H new ATOM 0 HA THR A 55 -12.630 -2.203 -1.284 1.00 0.00 H new ATOM 0 HB THR A 55 -13.847 -4.104 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.869 -4.067 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.241 -3.597 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.276 -2.186 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.845 -2.328 -2.167 1.00 0.00 H new ATOM 882 N LEU A 56 -11.270 -4.425 -1.811 1.00 0.00 N ATOM 883 CA LEU A 56 -10.361 -5.506 -2.253 1.00 0.00 C ATOM 884 C LEU A 56 -11.041 -6.474 -3.239 1.00 0.00 C ATOM 885 O LEU A 56 -10.438 -6.853 -4.244 1.00 0.00 O ATOM 886 CB LEU A 56 -9.907 -6.315 -1.036 1.00 0.00 C ATOM 887 CG LEU A 56 -8.990 -5.588 -0.036 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.602 -6.570 1.063 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.694 -5.094 -0.680 1.00 0.00 C ATOM 0 H LEU A 56 -11.392 -4.372 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.518 -5.032 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.794 -6.655 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.388 -7.205 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.540 -4.727 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.951 -6.073 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.500 -6.923 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.076 -7.418 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.085 -4.589 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.142 -5.943 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.930 -4.398 -1.485 1.00 0.00 H new ATOM 901 N SER A 57 -12.298 -6.839 -2.954 1.00 0.00 N ATOM 902 CA SER A 57 -13.127 -7.695 -3.816 1.00 0.00 C ATOM 903 C SER A 57 -13.320 -7.105 -5.219 1.00 0.00 C ATOM 904 O SER A 57 -13.482 -7.863 -6.166 1.00 0.00 O ATOM 905 CB SER A 57 -14.495 -7.905 -3.162 1.00 0.00 C ATOM 906 OG SER A 57 -15.292 -8.826 -3.884 1.00 0.00 O ATOM 0 H SER A 57 -12.777 -6.543 -2.103 1.00 0.00 H new ATOM 0 HA SER A 57 -12.605 -8.645 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.358 -8.265 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.015 -6.950 -3.095 1.00 0.00 H new ATOM 0 HG SER A 57 -16.156 -8.934 -3.434 1.00 0.00 H new ATOM 912 N ASP A 58 -13.264 -5.782 -5.367 1.00 0.00 N ATOM 913 CA ASP A 58 -13.439 -5.082 -6.650 1.00 0.00 C ATOM 914 C ASP A 58 -12.225 -5.156 -7.577 1.00 0.00 C ATOM 915 O ASP A 58 -12.344 -5.244 -8.798 1.00 0.00 O ATOM 916 CB ASP A 58 -13.846 -3.623 -6.400 1.00 0.00 C ATOM 917 CG ASP A 58 -15.264 -3.495 -5.851 1.00 0.00 C ATOM 918 OD1 ASP A 58 -16.206 -3.798 -6.617 1.00 0.00 O ATOM 919 OD2 ASP A 58 -15.346 -3.063 -4.676 1.00 0.00 O ATOM 0 H ASP A 58 -13.092 -5.149 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.236 -5.607 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.146 -3.170 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.769 -3.063 -7.332 1.00 0.00 H new ATOM 924 N TYR A 59 -11.021 -5.094 -6.999 1.00 0.00 N ATOM 925 CA TYR A 59 -9.751 -5.313 -7.704 1.00 0.00 C ATOM 926 C TYR A 59 -9.294 -6.782 -7.869 1.00 0.00 C ATOM 927 O TYR A 59 -8.184 -7.049 -8.332 1.00 0.00 O ATOM 928 CB TYR A 59 -8.668 -4.340 -7.213 1.00 0.00 C ATOM 929 CG TYR A 59 -8.782 -2.900 -7.704 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.191 -2.511 -8.923 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.382 -1.925 -6.887 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.167 -1.153 -9.308 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.348 -0.564 -7.259 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.728 -0.172 -8.462 1.00 0.00 C ATOM 935 OH TYR A 59 -8.659 1.150 -8.774 1.00 0.00 O ATOM 0 H TYR A 59 -10.898 -4.886 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.955 -5.062 -8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.683 -4.332 -6.123 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.696 -4.729 -7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.753 -3.258 -9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.871 -2.219 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.720 -0.865 -10.248 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.799 0.180 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.278 1.653 -8.204 1.00 0.00 H new ATOM 945 N ASN A 60 -10.143 -7.741 -7.460 1.00 0.00 N ATOM 946 CA ASN A 60 -9.836 -9.177 -7.309 1.00 0.00 C ATOM 947 C ASN A 60 -8.598 -9.453 -6.418 1.00 0.00 C ATOM 948 O ASN A 60 -7.823 -10.385 -6.654 1.00 0.00 O ATOM 949 CB ASN A 60 -9.800 -9.882 -8.685 1.00 0.00 C ATOM 950 CG ASN A 60 -9.757 -11.406 -8.572 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.312 -12.022 -7.671 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.117 -12.082 -9.495 1.00 0.00 N ATOM 0 H ASN A 60 -11.109 -7.527 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.656 -9.630 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.679 -9.590 -9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.927 -9.539 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.088 -13.101 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.648 -11.589 -10.255 1.00 0.00 H new ATOM 959 N ILE A 61 -8.394 -8.638 -5.376 1.00 0.00 N ATOM 960 CA ILE A 61 -7.330 -8.832 -4.378 1.00 0.00 C ATOM 961 C ILE A 61 -7.774 -9.919 -3.384 1.00 0.00 C ATOM 962 O ILE A 61 -8.162 -9.654 -2.248 1.00 0.00 O ATOM 963 CB ILE A 61 -6.900 -7.498 -3.723 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.591 -6.429 -4.799 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.658 -7.733 -2.835 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.201 -5.050 -4.254 1.00 0.00 C ATOM 0 H ILE A 61 -8.969 -7.815 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.421 -9.188 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.722 -7.131 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.781 -6.795 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.467 -6.315 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.357 -6.792 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.899 -8.457 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.841 -8.116 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.005 -4.373 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.016 -4.654 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.305 -5.141 -3.641 1.00 0.00 H new ATOM 978 N GLN A 62 -7.785 -11.157 -3.876 1.00 0.00 N ATOM 979 CA GLN A 62 -8.169 -12.359 -3.136 1.00 0.00 C ATOM 980 C GLN A 62 -7.167 -12.722 -2.016 1.00 0.00 C ATOM 981 O GLN A 62 -6.109 -12.109 -1.867 1.00 0.00 O ATOM 982 CB GLN A 62 -8.433 -13.507 -4.135 1.00 0.00 C ATOM 983 CG GLN A 62 -7.245 -13.911 -5.031 1.00 0.00 C ATOM 984 CD GLN A 62 -7.676 -14.827 -6.181 1.00 0.00 C ATOM 985 OE1 GLN A 62 -7.402 -16.019 -6.210 1.00 0.00 O ATOM 986 NE2 GLN A 62 -8.512 -14.354 -7.081 1.00 0.00 N ATOM 0 H GLN A 62 -7.516 -11.358 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.097 -12.163 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.753 -14.384 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.265 -13.219 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.777 -13.015 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.492 -14.418 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.757 -13.364 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.915 -14.978 -7.781 1.00 0.00 H new ATOM 995 N LYS A 63 -7.518 -13.730 -1.207 1.00 0.00 N ATOM 996 CA LYS A 63 -6.658 -14.248 -0.124 1.00 0.00 C ATOM 997 C LYS A 63 -5.295 -14.701 -0.689 1.00 0.00 C ATOM 998 O LYS A 63 -5.228 -15.119 -1.841 1.00 0.00 O ATOM 999 CB LYS A 63 -7.413 -15.350 0.653 1.00 0.00 C ATOM 1000 CG LYS A 63 -7.438 -16.739 -0.036 1.00 0.00 C ATOM 1001 CD LYS A 63 -8.808 -17.444 -0.066 1.00 0.00 C ATOM 1002 CE LYS A 63 -9.739 -16.769 -1.089 1.00 0.00 C ATOM 1003 NZ LYS A 63 -10.976 -17.541 -1.377 1.00 0.00 N ATOM 0 H LYS A 63 -8.412 -14.215 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.432 -13.459 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.956 -15.458 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.440 -15.022 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.087 -16.622 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.726 -17.389 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.677 -18.495 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.262 -17.412 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.016 -15.782 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.192 -16.618 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.553 -17.026 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.722 -18.474 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.521 -17.664 -0.500 1.00 0.00 H new ATOM 1017 N GLU A 64 -4.232 -14.573 0.098 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.843 -14.908 -0.296 1.00 0.00 C ATOM 1019 C GLU A 64 -2.266 -14.058 -1.464 1.00 0.00 C ATOM 1020 O GLU A 64 -1.158 -14.315 -1.933 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.683 -16.437 -0.497 1.00 0.00 C ATOM 1022 CG GLU A 64 -2.962 -17.243 0.786 1.00 0.00 C ATOM 1023 CD GLU A 64 -3.062 -18.760 0.546 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -3.874 -19.195 -0.305 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -2.346 -19.511 1.257 1.00 0.00 O ATOM 0 H GLU A 64 -4.300 -14.226 1.055 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.211 -14.616 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.362 -16.768 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.670 -16.649 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.169 -17.048 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.892 -16.891 1.232 1.00 0.00 H new ATOM 1032 N SER A 65 -2.977 -13.008 -1.900 1.00 0.00 N ATOM 1033 CA SER A 65 -2.545 -12.119 -2.988 1.00 0.00 C ATOM 1034 C SER A 65 -1.217 -11.402 -2.714 1.00 0.00 C ATOM 1035 O SER A 65 -0.995 -10.893 -1.615 1.00 0.00 O ATOM 1036 CB SER A 65 -3.633 -11.104 -3.325 1.00 0.00 C ATOM 1037 OG SER A 65 -3.183 -10.215 -4.328 1.00 0.00 O ATOM 0 H SER A 65 -3.880 -12.749 -1.502 1.00 0.00 H new ATOM 0 HA SER A 65 -2.371 -12.768 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.530 -11.622 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.907 -10.545 -2.431 1.00 0.00 H new ATOM 0 HG SER A 65 -3.573 -10.470 -5.190 1.00 0.00 H new ATOM 1043 N THR A 66 -0.371 -11.319 -3.747 1.00 0.00 N ATOM 1044 CA THR A 66 0.901 -10.578 -3.747 1.00 0.00 C ATOM 1045 C THR A 66 0.843 -9.311 -4.599 1.00 0.00 C ATOM 1046 O THR A 66 0.808 -9.368 -5.827 1.00 0.00 O ATOM 1047 CB THR A 66 2.083 -11.474 -4.150 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.078 -12.656 -3.385 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.445 -10.812 -3.947 1.00 0.00 C ATOM 0 H THR A 66 -0.557 -11.781 -4.637 1.00 0.00 H new ATOM 0 HA THR A 66 1.068 -10.256 -2.719 1.00 0.00 H new ATOM 0 HB THR A 66 1.948 -11.674 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.834 -13.221 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.233 -11.501 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.502 -9.905 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.572 -10.557 -2.895 1.00 0.00 H new ATOM 1057 N LEU A 67 0.865 -8.156 -3.938 1.00 0.00 N ATOM 1058 CA LEU A 67 1.011 -6.835 -4.548 1.00 0.00 C ATOM 1059 C LEU A 67 2.491 -6.546 -4.835 1.00 0.00 C ATOM 1060 O LEU A 67 3.375 -6.967 -4.088 1.00 0.00 O ATOM 1061 CB LEU A 67 0.419 -5.763 -3.611 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.101 -5.883 -3.380 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.491 -6.761 -2.189 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.692 -4.493 -3.129 1.00 0.00 C ATOM 0 H LEU A 67 0.778 -8.112 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 67 0.469 -6.813 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.926 -5.821 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.634 -4.778 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.494 -6.352 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.577 -6.791 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.112 -7.771 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.062 -6.347 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.766 -4.578 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.225 -4.053 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.506 -3.857 -3.994 1.00 0.00 H new ATOM 1076 N HIS A 68 2.778 -5.771 -5.882 1.00 0.00 N ATOM 1077 CA HIS A 68 4.070 -5.112 -6.046 1.00 0.00 C ATOM 1078 C HIS A 68 4.040 -3.748 -5.449 1.00 0.00 C ATOM 1079 O HIS A 68 3.011 -3.101 -5.258 1.00 0.00 O ATOM 1080 CB HIS A 68 4.517 -5.023 -7.509 1.00 0.00 C ATOM 1081 CG HIS A 68 4.949 -6.362 -8.073 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.202 -7.481 -8.232 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.205 -6.679 -8.513 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.995 -8.439 -8.739 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.239 -8.015 -8.924 1.00 0.00 N ATOM 0 H HIS A 68 2.120 -5.584 -6.639 1.00 0.00 H new ATOM 0 HA HIS A 68 4.798 -5.732 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.699 -4.627 -8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.343 -4.316 -7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.044 -6.000 -8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.659 -9.439 -8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.035 -8.542 -9.283 1.00 0.00 H new ATOM 1093 N LEU A 69 5.248 -3.314 -5.188 1.00 0.00 N ATOM 1094 CA LEU A 69 5.487 -1.954 -4.908 1.00 0.00 C ATOM 1095 C LEU A 69 6.102 -1.187 -6.075 1.00 0.00 C ATOM 1096 O LEU A 69 6.853 -1.738 -6.882 1.00 0.00 O ATOM 1097 CB LEU A 69 6.432 -1.875 -3.725 1.00 0.00 C ATOM 1098 CG LEU A 69 6.692 -0.575 -2.971 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.400 0.042 -2.488 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.650 -0.809 -1.811 1.00 0.00 C ATOM 0 H LEU A 69 6.079 -3.906 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 69 4.522 -1.492 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.073 -2.596 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.401 -2.232 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 69 7.158 0.128 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.616 0.967 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.758 0.257 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.893 -0.653 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.822 0.131 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.217 -1.535 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.597 -1.190 -2.193 1.00 0.00 H new ATOM 1112 N VAL A 70 5.979 0.133 -5.995 1.00 0.00 N ATOM 1113 CA VAL A 70 7.020 1.048 -6.457 1.00 0.00 C ATOM 1114 C VAL A 70 7.392 2.124 -5.471 1.00 0.00 C ATOM 1115 O VAL A 70 6.716 2.376 -4.487 1.00 0.00 O ATOM 1116 CB VAL A 70 6.613 1.879 -7.716 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.453 1.377 -8.870 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.126 1.885 -8.073 1.00 0.00 C ATOM 0 H VAL A 70 5.158 0.600 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 70 7.837 0.351 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 70 6.804 2.927 -7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.200 1.933 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.509 1.519 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.256 0.317 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.968 2.494 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.794 0.865 -8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.554 2.300 -7.243 1.00 0.00 H new ATOM 1128 N LEU A 71 8.417 2.867 -5.855 1.00 0.00 N ATOM 1129 CA LEU A 71 8.522 4.256 -5.484 1.00 0.00 C ATOM 1130 C LEU A 71 7.377 5.228 -5.810 1.00 0.00 C ATOM 1131 O LEU A 71 6.435 4.954 -6.544 1.00 0.00 O ATOM 1132 CB LEU A 71 9.808 4.860 -6.065 1.00 0.00 C ATOM 1133 CG LEU A 71 11.003 5.109 -5.112 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.988 6.524 -4.538 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.146 4.104 -3.969 1.00 0.00 C ATOM 0 H LEU A 71 9.189 2.523 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 71 8.496 4.176 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.152 4.202 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.548 5.813 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 71 11.873 4.972 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.843 6.657 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.044 7.247 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.066 6.679 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.011 4.366 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.248 4.125 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.281 3.103 -4.379 1.00 0.00 H new ATOM 1147 N ARG A 72 7.566 6.428 -5.252 1.00 0.00 N ATOM 1148 CA ARG A 72 6.887 7.652 -5.651 1.00 0.00 C ATOM 1149 C ARG A 72 7.787 8.719 -6.295 1.00 0.00 C ATOM 1150 O ARG A 72 7.444 9.239 -7.346 1.00 0.00 O ATOM 1151 CB ARG A 72 6.134 8.219 -4.436 1.00 0.00 C ATOM 1152 CG ARG A 72 5.278 9.472 -4.723 1.00 0.00 C ATOM 1153 CD ARG A 72 5.247 10.380 -3.487 1.00 0.00 C ATOM 1154 NE ARG A 72 4.324 11.518 -3.599 1.00 0.00 N ATOM 1155 CZ ARG A 72 4.314 12.500 -4.479 1.00 0.00 C ATOM 1156 NH1 ARG A 72 5.239 12.683 -5.375 1.00 0.00 N ATOM 1157 NH2 ARG A 72 3.325 13.343 -4.453 1.00 0.00 N ATOM 0 H ARG A 72 8.221 6.572 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 72 6.194 7.379 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.487 7.440 -4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.859 8.463 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.688 10.016 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.264 9.176 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.967 9.784 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.252 10.759 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 72 3.586 11.553 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.033 12.045 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.170 13.464 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.581 13.236 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.293 14.112 -5.122 1.00 0.00 H new ATOM 1171 N LEU A 73 8.915 9.041 -5.656 1.00 0.00 N ATOM 1172 CA LEU A 73 9.799 10.180 -5.985 1.00 0.00 C ATOM 1173 C LEU A 73 9.150 11.578 -5.793 1.00 0.00 C ATOM 1174 O LEU A 73 7.956 11.695 -5.510 1.00 0.00 O ATOM 1175 CB LEU A 73 10.427 9.968 -7.385 1.00 0.00 C ATOM 1176 CG LEU A 73 11.892 10.438 -7.508 1.00 0.00 C ATOM 1177 CD1 LEU A 73 12.856 9.421 -6.896 1.00 0.00 C ATOM 1178 CD2 LEU A 73 12.261 10.637 -8.977 1.00 0.00 C ATOM 0 H LEU A 73 9.257 8.499 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 73 10.604 10.189 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.377 8.908 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.825 10.499 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 73 11.979 11.380 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.879 9.782 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.623 9.288 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.754 8.467 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.297 10.969 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.143 9.695 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.607 11.390 -9.418 1.00 0.00 H new ATOM 1190 N ARG A 74 9.966 12.642 -5.891 1.00 0.00 N ATOM 1191 CA ARG A 74 9.599 14.048 -5.595 1.00 0.00 C ATOM 1192 C ARG A 74 8.811 14.779 -6.693 1.00 0.00 C ATOM 1193 O ARG A 74 8.090 15.723 -6.384 1.00 0.00 O ATOM 1194 CB ARG A 74 10.879 14.812 -5.178 1.00 0.00 C ATOM 1195 CG ARG A 74 10.629 16.231 -4.623 1.00 0.00 C ATOM 1196 CD ARG A 74 10.754 17.378 -5.646 1.00 0.00 C ATOM 1197 NE ARG A 74 12.164 17.748 -5.913 1.00 0.00 N ATOM 1198 CZ ARG A 74 12.852 18.723 -5.337 1.00 0.00 C ATOM 1199 NH1 ARG A 74 12.355 19.511 -4.422 1.00 0.00 N ATOM 1200 NH2 ARG A 74 14.089 18.923 -5.666 1.00 0.00 N ATOM 0 H ARG A 74 10.937 12.548 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 74 8.883 14.021 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.405 14.228 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.540 14.885 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.629 16.261 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.333 16.414 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.276 17.082 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.216 18.251 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 74 12.657 17.194 -6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.389 19.392 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.933 20.246 -4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.532 18.330 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.620 19.673 -5.223 1.00 0.00 H new ATOM 1214 N GLY A 75 8.955 14.373 -7.958 1.00 0.00 N ATOM 1215 CA GLY A 75 8.276 15.016 -9.093 1.00 0.00 C ATOM 1216 C GLY A 75 8.875 16.346 -9.574 1.00 0.00 C ATOM 1217 O GLY A 75 8.124 17.263 -9.897 1.00 0.00 O ATOM 0 H GLY A 75 9.547 13.587 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.273 14.318 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.236 15.188 -8.817 1.00 0.00 H new ATOM 1221 N GLY A 76 10.211 16.452 -9.612 1.00 0.00 N ATOM 1222 CA GLY A 76 10.966 17.610 -10.117 1.00 0.00 C ATOM 1223 C GLY A 76 12.422 17.269 -10.388 1.00 0.00 C ATOM 1224 O GLY A 76 12.976 16.456 -9.619 1.00 0.00 O ATOM 1225 OXT GLY A 76 12.965 17.759 -11.404 1.00 0.00 O ATOM 0 H GLY A 76 10.820 15.705 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.502 17.973 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.913 18.421 -9.391 1.00 0.00 H new TER 1229 GLY A 76