USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 CYS H : A 14 CYS N : A 73 AGAG :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.044) USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 71 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.75 USER MOD Set 2.2: A 56 THR OG1 : rot 92:sc= 0.852 USER MOD Set 3.1: A 37 SER OG : rot 170:sc= 0.352 USER MOD Set 3.2: A 40 ASN : amide:sc= 0 X(o=0.35,f=-0.049) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.342 K(o=1.3,f=0.28) USER MOD Set 4.2: A 47 TYR OH : rot 130:sc= 0.963 USER MOD Single : A 1 LEU N :NH3+ -135:sc= -0.0116 (180deg=-0.239) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0074 USER MOD Single : A 5 THR OG1 : rot 26:sc= 0.861 USER MOD Single : A 12 MET CE :methyl -172:sc= -0.0409 (180deg=-0.166) USER MOD Single : A 15 ASN : amide:sc=-4.16e-05 X(o=-4.2e-05,f=-4.2e-05) USER MOD Single : A 16 SER OG : rot 97:sc= 0.23 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 81:sc= 0.937 USER MOD Single : A 26 SER OG : rot 47:sc= 0.448 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0301) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.00203 (180deg=-0.0895) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0466) USER MOD Single : A 33 SER OG : rot 81:sc= 0.569 USER MOD Single : A 41 SER OG : rot -5:sc= 0.29 USER MOD Single : A 42 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 64 MET CE :methyl 164:sc= -0.0166 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.366 -18.340 -2.415 1.00 0.00 N ATOM 2 CA LEU A 1 6.817 -17.173 -3.196 1.00 0.00 C ATOM 3 C LEU A 1 6.003 -15.925 -2.850 1.00 0.00 C ATOM 4 O LEU A 1 4.890 -16.030 -2.339 1.00 0.00 O ATOM 5 CB LEU A 1 6.746 -17.444 -4.707 1.00 0.00 C ATOM 6 CG LEU A 1 7.531 -18.684 -5.172 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.350 -18.851 -6.685 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.027 -18.575 -4.852 1.00 0.00 C ATOM 0 H1 LEU A 1 7.193 -18.850 -2.044 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.772 -18.020 -1.623 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.814 -18.975 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 1 7.858 -16.994 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.701 -17.563 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 1 7.124 -16.570 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 1 7.140 -19.548 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.903 -19.727 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.292 -18.979 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.726 -17.965 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.540 -19.472 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.444 -17.702 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.162 -18.473 -3.775 1.00 0.00 H new ATOM 22 N THR A 2 6.568 -14.748 -3.141 1.00 0.00 N ATOM 23 CA THR A 2 5.964 -13.449 -2.879 1.00 0.00 C ATOM 24 C THR A 2 5.328 -12.895 -4.156 1.00 0.00 C ATOM 25 O THR A 2 5.579 -13.394 -5.252 1.00 0.00 O ATOM 26 CB THR A 2 7.042 -12.493 -2.347 1.00 0.00 C ATOM 27 OG1 THR A 2 8.163 -12.497 -3.209 1.00 0.00 O ATOM 28 CG2 THR A 2 7.490 -12.897 -0.940 1.00 0.00 C ATOM 0 H THR A 2 7.487 -14.678 -3.579 1.00 0.00 H new ATOM 0 HA THR A 2 5.178 -13.553 -2.130 1.00 0.00 H new ATOM 0 HB THR A 2 6.611 -11.493 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.844 -11.883 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.253 -12.203 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.635 -12.870 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.901 -13.906 -0.965 1.00 0.00 H new ATOM 36 N GLN A 3 4.505 -11.852 -3.999 1.00 0.00 N ATOM 37 CA GLN A 3 3.857 -11.125 -5.082 1.00 0.00 C ATOM 38 C GLN A 3 3.998 -9.622 -4.836 1.00 0.00 C ATOM 39 O GLN A 3 4.291 -9.196 -3.719 1.00 0.00 O ATOM 40 CB GLN A 3 2.376 -11.513 -5.159 1.00 0.00 C ATOM 41 CG GLN A 3 2.176 -12.937 -5.687 1.00 0.00 C ATOM 42 CD GLN A 3 0.700 -13.306 -5.831 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.186 -12.570 -5.400 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.429 -14.463 -6.437 1.00 0.00 N ATOM 0 H GLN A 3 4.267 -11.482 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 3 4.333 -11.380 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.928 -11.429 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.852 -10.810 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.668 -13.034 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.659 -13.643 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.190 -15.048 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.539 -14.762 -6.555 1.00 0.00 H new ATOM 53 N GLU A 4 3.779 -8.832 -5.893 1.00 0.00 N ATOM 54 CA GLU A 4 3.783 -7.378 -5.862 1.00 0.00 C ATOM 55 C GLU A 4 2.459 -6.872 -6.435 1.00 0.00 C ATOM 56 O GLU A 4 1.908 -7.487 -7.348 1.00 0.00 O ATOM 57 CB GLU A 4 4.987 -6.846 -6.653 1.00 0.00 C ATOM 58 CG GLU A 4 5.073 -5.314 -6.601 1.00 0.00 C ATOM 59 CD GLU A 4 6.347 -4.791 -7.257 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.434 -5.082 -6.711 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.214 -4.108 -8.296 1.00 0.00 O ATOM 0 H GLU A 4 3.588 -9.207 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 4 3.878 -7.016 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.904 -7.275 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.912 -7.171 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.205 -4.885 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.038 -4.984 -5.563 1.00 0.00 H new ATOM 68 N THR A 5 1.954 -5.756 -5.897 1.00 0.00 N ATOM 69 CA THR A 5 0.743 -5.104 -6.372 1.00 0.00 C ATOM 70 C THR A 5 0.908 -3.590 -6.284 1.00 0.00 C ATOM 71 O THR A 5 1.554 -3.089 -5.365 1.00 0.00 O ATOM 72 CB THR A 5 -0.481 -5.592 -5.577 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.664 -5.042 -6.120 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.415 -5.219 -4.090 1.00 0.00 C ATOM 0 H THR A 5 2.387 -5.278 -5.107 1.00 0.00 H new ATOM 0 HA THR A 5 0.575 -5.367 -7.416 1.00 0.00 H new ATOM 0 HB THR A 5 -0.482 -6.679 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.524 -4.835 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.305 -5.590 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.472 -5.667 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.365 -4.135 -3.989 1.00 0.00 H new ATOM 82 N VAL A 6 0.312 -2.876 -7.244 1.00 0.00 N ATOM 83 CA VAL A 6 0.215 -1.427 -7.252 1.00 0.00 C ATOM 84 C VAL A 6 -1.234 -1.075 -6.919 1.00 0.00 C ATOM 85 O VAL A 6 -2.163 -1.636 -7.501 1.00 0.00 O ATOM 86 CB VAL A 6 0.660 -0.857 -8.611 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.660 0.678 -8.572 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.073 -1.329 -8.975 1.00 0.00 C ATOM 0 H VAL A 6 -0.126 -3.310 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 6 0.880 -0.981 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.046 -1.216 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.977 1.067 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.345 1.036 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.348 1.022 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.359 -0.910 -9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.776 -0.996 -8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.089 -2.417 -9.033 1.00 0.00 H new ATOM 98 N ILE A 7 -1.415 -0.157 -5.965 1.00 0.00 N ATOM 99 CA ILE A 7 -2.712 0.300 -5.496 1.00 0.00 C ATOM 100 C ILE A 7 -2.721 1.819 -5.627 1.00 0.00 C ATOM 101 O ILE A 7 -1.832 2.476 -5.093 1.00 0.00 O ATOM 102 CB ILE A 7 -2.935 -0.159 -4.040 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.744 -1.686 -3.936 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.331 0.268 -3.558 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.063 -2.261 -2.553 1.00 0.00 C ATOM 0 H ILE A 7 -0.636 0.297 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.527 -0.122 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.199 0.318 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.380 -2.173 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.713 -1.931 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.477 -0.061 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.417 1.354 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.090 -0.185 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.904 -3.339 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.410 -1.804 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.102 -2.049 -2.302 1.00 0.00 H new ATOM 117 N ASN A 8 -3.713 2.375 -6.330 1.00 0.00 N ATOM 118 CA ASN A 8 -3.899 3.816 -6.432 1.00 0.00 C ATOM 119 C ASN A 8 -4.357 4.331 -5.071 1.00 0.00 C ATOM 120 O ASN A 8 -5.302 3.784 -4.505 1.00 0.00 O ATOM 121 CB ASN A 8 -4.954 4.176 -7.487 1.00 0.00 C ATOM 122 CG ASN A 8 -4.776 3.426 -8.803 1.00 0.00 C ATOM 123 OD1 ASN A 8 -3.917 3.767 -9.612 1.00 0.00 O ATOM 124 ND2 ASN A 8 -5.594 2.396 -9.021 1.00 0.00 N ATOM 0 H ASN A 8 -4.408 1.833 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.957 4.273 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.945 3.962 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.913 5.248 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.519 1.859 -9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.295 2.145 -8.324 1.00 0.00 H new ATOM 131 N ILE A 9 -3.693 5.369 -4.555 1.00 0.00 N ATOM 132 CA ILE A 9 -4.000 5.994 -3.279 1.00 0.00 C ATOM 133 C ILE A 9 -4.299 7.464 -3.567 1.00 0.00 C ATOM 134 O ILE A 9 -3.383 8.248 -3.806 1.00 0.00 O ATOM 135 CB ILE A 9 -2.827 5.826 -2.293 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.451 4.345 -2.118 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.204 6.436 -0.933 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.266 4.146 -1.168 1.00 0.00 C ATOM 0 H ILE A 9 -2.905 5.806 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.862 5.524 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.960 6.346 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.313 3.798 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.207 3.918 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.373 6.316 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.422 7.497 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.084 5.928 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.044 3.082 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.393 4.668 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.516 4.546 -0.185 1.00 0.00 H new ATOM 150 N ASP A 10 -5.585 7.828 -3.546 1.00 0.00 N ATOM 151 CA ASP A 10 -6.048 9.195 -3.725 1.00 0.00 C ATOM 152 C ASP A 10 -6.365 9.809 -2.356 1.00 0.00 C ATOM 153 O ASP A 10 -6.722 9.100 -1.415 1.00 0.00 O ATOM 154 CB ASP A 10 -7.248 9.194 -4.681 1.00 0.00 C ATOM 155 CG ASP A 10 -7.922 10.560 -4.774 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.259 11.485 -5.291 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.082 10.656 -4.319 1.00 0.00 O ATOM 0 H ASP A 10 -6.344 7.162 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.276 9.817 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.918 8.887 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.976 8.455 -4.345 1.00 0.00 H new ATOM 162 N GLY A 11 -6.212 11.135 -2.256 1.00 0.00 N ATOM 163 CA GLY A 11 -6.394 11.900 -1.030 1.00 0.00 C ATOM 164 C GLY A 11 -5.091 12.036 -0.237 1.00 0.00 C ATOM 165 O GLY A 11 -5.131 12.209 0.979 1.00 0.00 O ATOM 0 H GLY A 11 -5.951 11.716 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.774 12.892 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.147 11.415 -0.409 1.00 0.00 H new ATOM 169 N MET A 12 -3.940 11.967 -0.921 1.00 0.00 N ATOM 170 CA MET A 12 -2.624 12.142 -0.323 1.00 0.00 C ATOM 171 C MET A 12 -2.313 13.638 -0.290 1.00 0.00 C ATOM 172 O MET A 12 -2.134 14.254 -1.339 1.00 0.00 O ATOM 173 CB MET A 12 -1.576 11.370 -1.134 1.00 0.00 C ATOM 174 CG MET A 12 -1.855 9.863 -1.132 1.00 0.00 C ATOM 175 SD MET A 12 -0.715 8.885 -2.146 1.00 0.00 S ATOM 176 CE MET A 12 0.738 8.855 -1.077 1.00 0.00 C ATOM 0 H MET A 12 -3.905 11.784 -1.924 1.00 0.00 H new ATOM 0 HA MET A 12 -2.605 11.749 0.693 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.567 11.737 -2.160 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.585 11.557 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.811 9.500 -0.105 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.872 9.694 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.577 8.413 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.993 9.873 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.524 8.261 -0.189 1.00 0.00 H new ATOM 186 N THR A 13 -2.268 14.222 0.911 1.00 0.00 N ATOM 187 CA THR A 13 -2.180 15.663 1.101 1.00 0.00 C ATOM 188 C THR A 13 -0.732 16.150 1.027 1.00 0.00 C ATOM 189 O THR A 13 -0.462 17.164 0.385 1.00 0.00 O ATOM 190 CB THR A 13 -2.823 16.046 2.443 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.202 15.346 3.501 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.324 15.738 2.450 1.00 0.00 C ATOM 0 H THR A 13 -2.292 13.697 1.785 1.00 0.00 H new ATOM 0 HA THR A 13 -2.724 16.153 0.294 1.00 0.00 H new ATOM 0 HB THR A 13 -2.685 17.119 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.749 16.020 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.815 16.302 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.477 14.672 2.284 1.00 0.00 H new ATOM 200 N CYS A 14 0.193 15.444 1.688 1.00 0.00 N ATOM 201 CA CYS A 14 1.594 15.849 1.790 1.00 0.00 C ATOM 202 C CYS A 14 2.462 14.630 2.131 1.00 0.00 C ATOM 203 O CYS A 14 1.952 13.519 2.280 1.00 0.00 O ATOM 204 CB CYS A 14 1.738 16.961 2.847 1.00 0.00 C ATOM 205 SG CYS A 14 1.470 16.319 4.510 1.00 0.00 S ATOM 0 HA CYS A 14 1.935 16.247 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.732 17.403 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.022 17.756 2.642 1.00 0.00 H new ATOM 210 N ASN A 15 3.778 14.849 2.258 1.00 0.00 N ATOM 211 CA ASN A 15 4.774 13.814 2.528 1.00 0.00 C ATOM 212 C ASN A 15 4.481 13.011 3.801 1.00 0.00 C ATOM 213 O ASN A 15 4.848 11.840 3.877 1.00 0.00 O ATOM 214 CB ASN A 15 6.166 14.454 2.603 1.00 0.00 C ATOM 215 CG ASN A 15 7.258 13.413 2.852 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.867 13.391 3.918 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.507 12.545 1.869 1.00 0.00 N ATOM 0 H ASN A 15 4.186 15.780 2.172 1.00 0.00 H new ATOM 0 HA ASN A 15 4.733 13.101 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.373 14.983 1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.182 15.196 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.225 11.831 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.979 12.596 0.998 1.00 0.00 H new ATOM 224 N SER A 16 3.822 13.619 4.795 1.00 0.00 N ATOM 225 CA SER A 16 3.414 12.936 6.015 1.00 0.00 C ATOM 226 C SER A 16 2.631 11.657 5.705 1.00 0.00 C ATOM 227 O SER A 16 2.852 10.639 6.355 1.00 0.00 O ATOM 228 CB SER A 16 2.583 13.877 6.891 1.00 0.00 C ATOM 229 OG SER A 16 3.293 15.077 7.117 1.00 0.00 O ATOM 0 H SER A 16 3.558 14.604 4.769 1.00 0.00 H new ATOM 0 HA SER A 16 4.314 12.647 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.631 14.093 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.354 13.395 7.842 1.00 0.00 H new ATOM 0 HG SER A 16 2.990 15.760 6.483 1.00 0.00 H new ATOM 235 N CYS A 17 1.735 11.701 4.709 1.00 0.00 N ATOM 236 CA CYS A 17 0.959 10.538 4.296 1.00 0.00 C ATOM 237 C CYS A 17 1.875 9.460 3.724 1.00 0.00 C ATOM 238 O CYS A 17 1.739 8.297 4.090 1.00 0.00 O ATOM 239 CB CYS A 17 -0.105 10.923 3.267 1.00 0.00 C ATOM 240 SG CYS A 17 -1.253 12.214 3.794 1.00 0.00 S ATOM 0 H CYS A 17 1.533 12.545 4.172 1.00 0.00 H new ATOM 0 HA CYS A 17 0.455 10.142 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.395 11.254 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.678 10.032 3.010 1.00 0.00 H new ATOM 245 N VAL A 18 2.804 9.844 2.837 1.00 0.00 N ATOM 246 CA VAL A 18 3.768 8.929 2.233 1.00 0.00 C ATOM 247 C VAL A 18 4.498 8.162 3.336 1.00 0.00 C ATOM 248 O VAL A 18 4.495 6.933 3.344 1.00 0.00 O ATOM 249 CB VAL A 18 4.754 9.689 1.322 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.774 8.740 0.680 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.018 10.432 0.203 1.00 0.00 C ATOM 0 H VAL A 18 2.904 10.808 2.519 1.00 0.00 H new ATOM 0 HA VAL A 18 3.240 8.214 1.603 1.00 0.00 H new ATOM 0 HB VAL A 18 5.273 10.404 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.452 9.310 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.345 8.237 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.251 7.997 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.741 10.957 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.465 9.717 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.324 11.151 0.639 1.00 0.00 H new ATOM 261 N GLN A 19 5.103 8.905 4.269 1.00 0.00 N ATOM 262 CA GLN A 19 5.847 8.368 5.396 1.00 0.00 C ATOM 263 C GLN A 19 4.979 7.426 6.235 1.00 0.00 C ATOM 264 O GLN A 19 5.386 6.296 6.503 1.00 0.00 O ATOM 265 CB GLN A 19 6.386 9.543 6.223 1.00 0.00 C ATOM 266 CG GLN A 19 7.312 9.080 7.353 1.00 0.00 C ATOM 267 CD GLN A 19 7.849 10.268 8.148 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.504 10.446 9.313 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.697 11.086 7.521 1.00 0.00 N ATOM 0 H GLN A 19 5.084 9.925 4.254 1.00 0.00 H new ATOM 0 HA GLN A 19 6.685 7.769 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.927 10.227 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.550 10.101 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.770 8.408 8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.144 8.512 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.959 10.904 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.083 11.893 8.011 1.00 0.00 H new ATOM 278 N SER A 20 3.792 7.892 6.646 1.00 0.00 N ATOM 279 CA SER A 20 2.884 7.144 7.505 1.00 0.00 C ATOM 280 C SER A 20 2.484 5.817 6.864 1.00 0.00 C ATOM 281 O SER A 20 2.690 4.767 7.466 1.00 0.00 O ATOM 282 CB SER A 20 1.644 7.983 7.834 1.00 0.00 C ATOM 283 OG SER A 20 2.010 9.134 8.564 1.00 0.00 O ATOM 0 H SER A 20 3.437 8.812 6.384 1.00 0.00 H new ATOM 0 HA SER A 20 3.407 6.920 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.139 8.274 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.937 7.388 8.411 1.00 0.00 H new ATOM 0 HG SER A 20 2.335 9.823 7.947 1.00 0.00 H new ATOM 289 N ILE A 21 1.918 5.862 5.651 1.00 0.00 N ATOM 290 CA ILE A 21 1.467 4.681 4.926 1.00 0.00 C ATOM 291 C ILE A 21 2.632 3.702 4.775 1.00 0.00 C ATOM 292 O ILE A 21 2.492 2.532 5.120 1.00 0.00 O ATOM 293 CB ILE A 21 0.869 5.073 3.560 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.374 5.970 3.722 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.475 3.817 2.763 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.704 6.706 2.419 1.00 0.00 C ATOM 0 H ILE A 21 1.761 6.733 5.145 1.00 0.00 H new ATOM 0 HA ILE A 21 0.675 4.189 5.491 1.00 0.00 H new ATOM 0 HB ILE A 21 1.637 5.629 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.227 5.362 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.201 6.695 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.055 4.113 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.358 3.199 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.267 3.248 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.585 7.330 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.140 7.333 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.902 5.980 1.631 1.00 0.00 H new ATOM 308 N GLU A 22 3.775 4.177 4.266 1.00 0.00 N ATOM 309 CA GLU A 22 4.929 3.334 3.996 1.00 0.00 C ATOM 310 C GLU A 22 5.367 2.594 5.264 1.00 0.00 C ATOM 311 O GLU A 22 5.470 1.369 5.257 1.00 0.00 O ATOM 312 CB GLU A 22 6.049 4.185 3.380 1.00 0.00 C ATOM 313 CG GLU A 22 7.133 3.322 2.730 1.00 0.00 C ATOM 314 CD GLU A 22 8.088 4.172 1.899 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.779 4.365 0.702 1.00 0.00 O ATOM 316 OE2 GLU A 22 9.106 4.614 2.473 1.00 0.00 O ATOM 0 H GLU A 22 3.919 5.159 4.032 1.00 0.00 H new ATOM 0 HA GLU A 22 4.666 2.563 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.625 4.857 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.497 4.809 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.691 2.792 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.669 2.566 2.096 1.00 0.00 H new ATOM 323 N GLY A 23 5.600 3.336 6.353 1.00 0.00 N ATOM 324 CA GLY A 23 6.028 2.784 7.629 1.00 0.00 C ATOM 325 C GLY A 23 5.021 1.781 8.197 1.00 0.00 C ATOM 326 O GLY A 23 5.387 0.651 8.509 1.00 0.00 O ATOM 0 H GLY A 23 5.493 4.350 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.994 2.294 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.171 3.595 8.343 1.00 0.00 H new ATOM 330 N VAL A 24 3.758 2.198 8.338 1.00 0.00 N ATOM 331 CA VAL A 24 2.708 1.406 8.967 1.00 0.00 C ATOM 332 C VAL A 24 2.446 0.118 8.182 1.00 0.00 C ATOM 333 O VAL A 24 2.512 -0.969 8.753 1.00 0.00 O ATOM 334 CB VAL A 24 1.440 2.265 9.130 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.230 1.429 9.566 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.672 3.363 10.178 1.00 0.00 C ATOM 0 H VAL A 24 3.437 3.110 8.012 1.00 0.00 H new ATOM 0 HA VAL A 24 3.033 1.098 9.961 1.00 0.00 H new ATOM 0 HB VAL A 24 1.230 2.704 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.641 2.076 9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.028 0.664 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.443 0.953 10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.768 3.963 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.917 2.905 11.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.496 4.002 9.860 1.00 0.00 H new ATOM 346 N ILE A 25 2.145 0.233 6.882 1.00 0.00 N ATOM 347 CA ILE A 25 1.789 -0.911 6.053 1.00 0.00 C ATOM 348 C ILE A 25 2.951 -1.909 5.968 1.00 0.00 C ATOM 349 O ILE A 25 2.700 -3.112 5.983 1.00 0.00 O ATOM 350 CB ILE A 25 1.285 -0.451 4.671 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.060 0.487 4.748 1.00 0.00 C ATOM 352 CG2 ILE A 25 0.958 -1.650 3.768 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.209 -0.143 5.331 1.00 0.00 C ATOM 0 H ILE A 25 2.143 1.122 6.382 1.00 0.00 H new ATOM 0 HA ILE A 25 0.961 -1.442 6.523 1.00 0.00 H new ATOM 0 HB ILE A 25 2.106 0.120 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.325 1.356 5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.162 0.851 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.605 -1.292 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.854 -2.254 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.182 -2.256 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.010 0.596 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.508 -0.993 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.013 -0.481 6.349 1.00 0.00 H new ATOM 365 N SER A 26 4.208 -1.436 5.911 1.00 0.00 N ATOM 366 CA SER A 26 5.388 -2.302 5.929 1.00 0.00 C ATOM 367 C SER A 26 5.368 -3.291 7.101 1.00 0.00 C ATOM 368 O SER A 26 5.830 -4.421 6.957 1.00 0.00 O ATOM 369 CB SER A 26 6.675 -1.468 5.969 1.00 0.00 C ATOM 370 OG SER A 26 7.812 -2.306 5.908 1.00 0.00 O ATOM 0 H SER A 26 4.429 -0.442 5.851 1.00 0.00 H new ATOM 0 HA SER A 26 5.365 -2.883 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.687 -0.768 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.702 -0.875 6.883 1.00 0.00 H new ATOM 0 HG SER A 26 7.697 -2.962 5.189 1.00 0.00 H new ATOM 376 N LYS A 27 4.835 -2.867 8.254 1.00 0.00 N ATOM 377 CA LYS A 27 4.872 -3.632 9.493 1.00 0.00 C ATOM 378 C LYS A 27 3.665 -4.568 9.626 1.00 0.00 C ATOM 379 O LYS A 27 3.681 -5.439 10.494 1.00 0.00 O ATOM 380 CB LYS A 27 4.938 -2.662 10.680 1.00 0.00 C ATOM 381 CG LYS A 27 6.237 -1.847 10.666 1.00 0.00 C ATOM 382 CD LYS A 27 6.185 -0.743 11.729 1.00 0.00 C ATOM 383 CE LYS A 27 7.394 0.194 11.626 1.00 0.00 C ATOM 384 NZ LYS A 27 8.662 -0.509 11.886 1.00 0.00 N ATOM 0 H LYS A 27 4.361 -1.969 8.347 1.00 0.00 H new ATOM 0 HA LYS A 27 5.760 -4.263 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.083 -1.987 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.868 -3.221 11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.087 -2.502 10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.387 -1.406 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.267 -0.168 11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.156 -1.193 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.424 0.639 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.280 1.012 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.446 0.174 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.619 -0.969 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.817 -1.228 11.151 1.00 0.00 H new ATOM 398 N LYS A 28 2.630 -4.419 8.785 1.00 0.00 N ATOM 399 CA LYS A 28 1.492 -5.331 8.797 1.00 0.00 C ATOM 400 C LYS A 28 1.922 -6.700 8.249 1.00 0.00 C ATOM 401 O LYS A 28 2.748 -6.762 7.338 1.00 0.00 O ATOM 402 CB LYS A 28 0.319 -4.742 8.003 1.00 0.00 C ATOM 403 CG LYS A 28 -0.281 -3.544 8.748 1.00 0.00 C ATOM 404 CD LYS A 28 -1.553 -3.050 8.051 1.00 0.00 C ATOM 405 CE LYS A 28 -2.165 -1.858 8.796 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.677 -2.236 10.124 1.00 0.00 N ATOM 0 H LYS A 28 2.564 -3.674 8.091 1.00 0.00 H new ATOM 0 HA LYS A 28 1.149 -5.468 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.660 -4.431 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.445 -5.504 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.511 -3.827 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.450 -2.737 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.321 -2.761 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.280 -3.861 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.413 -1.076 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.976 -1.438 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.215 -1.443 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.299 -3.065 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.880 -2.468 10.750 1.00 0.00 H new ATOM 420 N PRO A 29 1.386 -7.803 8.802 1.00 0.00 N ATOM 421 CA PRO A 29 1.843 -9.150 8.502 1.00 0.00 C ATOM 422 C PRO A 29 1.638 -9.482 7.025 1.00 0.00 C ATOM 423 O PRO A 29 0.607 -9.146 6.442 1.00 0.00 O ATOM 424 CB PRO A 29 1.047 -10.082 9.421 1.00 0.00 C ATOM 425 CG PRO A 29 -0.214 -9.279 9.736 1.00 0.00 C ATOM 426 CD PRO A 29 0.308 -7.843 9.776 1.00 0.00 C ATOM 0 HA PRO A 29 2.913 -9.261 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.810 -11.025 8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.604 -10.326 10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.980 -9.411 8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.657 -9.576 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.478 -7.131 9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.667 -7.582 10.772 1.00 0.00 H new ATOM 434 N GLY A 30 2.642 -10.131 6.427 1.00 0.00 N ATOM 435 CA GLY A 30 2.660 -10.469 5.017 1.00 0.00 C ATOM 436 C GLY A 30 3.455 -9.448 4.213 1.00 0.00 C ATOM 437 O GLY A 30 4.201 -9.842 3.319 1.00 0.00 O ATOM 0 H GLY A 30 3.477 -10.438 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.096 -11.459 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.639 -10.517 4.639 1.00 0.00 H new ATOM 441 N VAL A 31 3.309 -8.151 4.519 1.00 0.00 N ATOM 442 CA VAL A 31 4.025 -7.102 3.806 1.00 0.00 C ATOM 443 C VAL A 31 5.505 -7.156 4.175 1.00 0.00 C ATOM 444 O VAL A 31 5.850 -7.399 5.331 1.00 0.00 O ATOM 445 CB VAL A 31 3.438 -5.714 4.109 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.120 -4.647 3.240 1.00 0.00 C ATOM 447 CG2 VAL A 31 1.938 -5.686 3.807 1.00 0.00 C ATOM 0 H VAL A 31 2.697 -7.810 5.260 1.00 0.00 H new ATOM 0 HA VAL A 31 3.914 -7.272 2.735 1.00 0.00 H new ATOM 0 HB VAL A 31 3.608 -5.505 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.695 -3.669 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.189 -4.635 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.960 -4.879 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.541 -4.695 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.774 -5.916 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.429 -6.427 4.424 1.00 0.00 H new ATOM 457 N LYS A 32 6.367 -6.920 3.181 1.00 0.00 N ATOM 458 CA LYS A 32 7.803 -6.806 3.355 1.00 0.00 C ATOM 459 C LYS A 32 8.191 -5.357 3.055 1.00 0.00 C ATOM 460 O LYS A 32 8.113 -4.509 3.944 1.00 0.00 O ATOM 461 CB LYS A 32 8.512 -7.847 2.473 1.00 0.00 C ATOM 462 CG LYS A 32 8.115 -9.267 2.901 1.00 0.00 C ATOM 463 CD LYS A 32 8.888 -10.319 2.098 1.00 0.00 C ATOM 464 CE LYS A 32 8.391 -11.737 2.407 1.00 0.00 C ATOM 465 NZ LYS A 32 8.581 -12.097 3.822 1.00 0.00 N ATOM 0 H LYS A 32 6.070 -6.801 2.213 1.00 0.00 H new ATOM 0 HA LYS A 32 8.118 -7.026 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.248 -7.688 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.592 -7.725 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.313 -9.399 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.044 -9.408 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.779 -10.118 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.951 -10.246 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.334 -11.813 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.922 -12.451 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.310 -13.091 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.580 -11.969 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.987 -11.486 4.418 1.00 0.00 H new ATOM 479 N SER A 33 8.593 -5.068 1.812 1.00 0.00 N ATOM 480 CA SER A 33 8.889 -3.720 1.352 1.00 0.00 C ATOM 481 C SER A 33 7.628 -3.085 0.764 1.00 0.00 C ATOM 482 O SER A 33 6.712 -3.782 0.329 1.00 0.00 O ATOM 483 CB SER A 33 10.059 -3.745 0.359 1.00 0.00 C ATOM 484 OG SER A 33 9.883 -4.733 -0.633 1.00 0.00 O ATOM 0 H SER A 33 8.722 -5.779 1.092 1.00 0.00 H new ATOM 0 HA SER A 33 9.201 -3.100 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.155 -2.768 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.988 -3.931 0.897 1.00 0.00 H new ATOM 0 HG SER A 33 9.283 -4.394 -1.330 1.00 0.00 H new ATOM 490 N ILE A 34 7.582 -1.751 0.767 1.00 0.00 N ATOM 491 CA ILE A 34 6.524 -0.972 0.147 1.00 0.00 C ATOM 492 C ILE A 34 7.107 0.371 -0.296 1.00 0.00 C ATOM 493 O ILE A 34 7.882 0.977 0.442 1.00 0.00 O ATOM 494 CB ILE A 34 5.299 -0.851 1.077 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.281 0.128 0.468 1.00 0.00 C ATOM 496 CG2 ILE A 34 5.683 -0.476 2.514 1.00 0.00 C ATOM 497 CD1 ILE A 34 2.980 0.226 1.265 1.00 0.00 C ATOM 0 H ILE A 34 8.298 -1.176 1.212 1.00 0.00 H new ATOM 0 HA ILE A 34 6.145 -1.477 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 34 4.831 -1.833 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.734 1.117 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.052 -0.185 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.783 -0.405 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.341 -1.241 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.199 0.484 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.308 0.934 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.505 -0.754 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.198 0.569 2.277 1.00 0.00 H new ATOM 509 N ARG A 35 6.738 0.816 -1.504 1.00 0.00 N ATOM 510 CA ARG A 35 7.185 2.055 -2.126 1.00 0.00 C ATOM 511 C ARG A 35 5.967 2.955 -2.350 1.00 0.00 C ATOM 512 O ARG A 35 5.233 2.767 -3.319 1.00 0.00 O ATOM 513 CB ARG A 35 7.887 1.743 -3.460 1.00 0.00 C ATOM 514 CG ARG A 35 9.119 0.825 -3.367 1.00 0.00 C ATOM 515 CD ARG A 35 10.329 1.470 -2.680 1.00 0.00 C ATOM 516 NE ARG A 35 10.156 1.527 -1.226 1.00 0.00 N ATOM 517 CZ ARG A 35 10.930 2.208 -0.368 1.00 0.00 C ATOM 518 NH1 ARG A 35 12.022 2.861 -0.790 1.00 0.00 N ATOM 519 NH2 ARG A 35 10.595 2.230 0.928 1.00 0.00 N ATOM 0 H ARG A 35 6.091 0.294 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 35 7.898 2.568 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.163 1.282 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.192 2.684 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.845 -0.079 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.407 0.517 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.229 0.903 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.475 2.477 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 35 9.376 1.001 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.276 2.845 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.599 3.374 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.763 1.734 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.172 2.743 1.595 1.00 0.00 H new ATOM 533 N VAL A 36 5.755 3.928 -1.454 1.00 0.00 N ATOM 534 CA VAL A 36 4.651 4.880 -1.535 1.00 0.00 C ATOM 535 C VAL A 36 5.121 6.152 -2.244 1.00 0.00 C ATOM 536 O VAL A 36 6.272 6.556 -2.089 1.00 0.00 O ATOM 537 CB VAL A 36 4.093 5.172 -0.130 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.843 6.056 -0.208 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.714 3.874 0.588 1.00 0.00 C ATOM 0 H VAL A 36 6.357 4.074 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 36 3.838 4.452 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 36 4.877 5.688 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.469 6.247 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.096 7.002 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.074 5.548 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.323 4.107 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.953 3.348 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.596 3.242 0.686 1.00 0.00 H new ATOM 549 N SER A 37 4.229 6.776 -3.026 1.00 0.00 N ATOM 550 CA SER A 37 4.519 7.989 -3.776 1.00 0.00 C ATOM 551 C SER A 37 3.266 8.858 -3.876 1.00 0.00 C ATOM 552 O SER A 37 2.242 8.414 -4.394 1.00 0.00 O ATOM 553 CB SER A 37 5.039 7.612 -5.167 1.00 0.00 C ATOM 554 OG SER A 37 5.197 8.766 -5.969 1.00 0.00 O ATOM 0 H SER A 37 3.274 6.441 -3.152 1.00 0.00 H new ATOM 0 HA SER A 37 5.286 8.566 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.993 7.092 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.344 6.922 -5.646 1.00 0.00 H new ATOM 0 HG SER A 37 5.677 8.530 -6.790 1.00 0.00 H new ATOM 560 N LEU A 38 3.366 10.104 -3.394 1.00 0.00 N ATOM 561 CA LEU A 38 2.351 11.135 -3.572 1.00 0.00 C ATOM 562 C LEU A 38 2.322 11.577 -5.033 1.00 0.00 C ATOM 563 O LEU A 38 1.244 11.725 -5.604 1.00 0.00 O ATOM 564 CB LEU A 38 2.633 12.300 -2.614 1.00 0.00 C ATOM 565 CG LEU A 38 1.522 13.365 -2.602 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.432 13.984 -1.204 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.781 14.488 -3.616 1.00 0.00 C ATOM 0 H LEU A 38 4.174 10.424 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 38 1.363 10.743 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.761 11.908 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.575 12.771 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 38 0.591 12.868 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.646 14.739 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.201 13.206 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.385 14.447 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.970 15.214 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.724 14.981 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.834 14.067 -4.620 1.00 0.00 H new ATOM 579 N ALA A 39 3.503 11.777 -5.634 1.00 0.00 N ATOM 580 CA ALA A 39 3.656 12.191 -7.023 1.00 0.00 C ATOM 581 C ALA A 39 2.894 11.265 -7.973 1.00 0.00 C ATOM 582 O ALA A 39 2.190 11.740 -8.862 1.00 0.00 O ATOM 583 CB ALA A 39 5.143 12.236 -7.382 1.00 0.00 C ATOM 0 H ALA A 39 4.393 11.651 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 39 3.229 13.187 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.257 12.546 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.653 12.948 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.580 11.246 -7.248 1.00 0.00 H new ATOM 589 N ASN A 40 3.027 9.947 -7.774 1.00 0.00 N ATOM 590 CA ASN A 40 2.335 8.939 -8.570 1.00 0.00 C ATOM 591 C ASN A 40 0.968 8.579 -7.970 1.00 0.00 C ATOM 592 O ASN A 40 0.225 7.816 -8.585 1.00 0.00 O ATOM 593 CB ASN A 40 3.211 7.685 -8.679 1.00 0.00 C ATOM 594 CG ASN A 40 4.592 7.958 -9.272 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.782 8.905 -10.032 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.570 7.121 -8.919 1.00 0.00 N ATOM 0 H ASN A 40 3.625 9.552 -7.048 1.00 0.00 H new ATOM 0 HA ASN A 40 2.157 9.353 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.330 7.247 -7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.699 6.946 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.513 7.257 -9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.374 6.346 -8.286 1.00 0.00 H new ATOM 603 N SER A 41 0.638 9.114 -6.785 1.00 0.00 N ATOM 604 CA SER A 41 -0.608 8.881 -6.064 1.00 0.00 C ATOM 605 C SER A 41 -0.888 7.385 -5.912 1.00 0.00 C ATOM 606 O SER A 41 -1.957 6.916 -6.301 1.00 0.00 O ATOM 607 CB SER A 41 -1.765 9.621 -6.751 1.00 0.00 C ATOM 608 OG SER A 41 -1.476 11.000 -6.849 1.00 0.00 O ATOM 0 H SER A 41 1.264 9.747 -6.287 1.00 0.00 H new ATOM 0 HA SER A 41 -0.510 9.284 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.932 9.206 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.686 9.475 -6.186 1.00 0.00 H new ATOM 0 HG SER A 41 -0.635 11.192 -6.384 1.00 0.00 H new ATOM 614 N ASN A 42 0.076 6.631 -5.365 1.00 0.00 N ATOM 615 CA ASN A 42 -0.029 5.181 -5.283 1.00 0.00 C ATOM 616 C ASN A 42 0.889 4.574 -4.220 1.00 0.00 C ATOM 617 O ASN A 42 1.711 5.266 -3.619 1.00 0.00 O ATOM 618 CB ASN A 42 0.200 4.550 -6.672 1.00 0.00 C ATOM 619 CG ASN A 42 1.626 4.688 -7.207 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.532 5.154 -6.520 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.833 4.270 -8.457 1.00 0.00 N ATOM 0 H ASN A 42 0.938 7.011 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.043 4.946 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.054 3.491 -6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.487 5.009 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.764 4.333 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.060 3.888 -9.002 1.00 0.00 H new ATOM 628 N GLY A 43 0.724 3.261 -4.016 1.00 0.00 N ATOM 629 CA GLY A 43 1.527 2.421 -3.147 1.00 0.00 C ATOM 630 C GLY A 43 1.850 1.120 -3.874 1.00 0.00 C ATOM 631 O GLY A 43 0.940 0.373 -4.232 1.00 0.00 O ATOM 0 H GLY A 43 -0.016 2.737 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.447 2.936 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.988 2.212 -2.223 1.00 0.00 H new ATOM 635 N THR A 44 3.146 0.861 -4.087 1.00 0.00 N ATOM 636 CA THR A 44 3.667 -0.339 -4.726 1.00 0.00 C ATOM 637 C THR A 44 4.139 -1.275 -3.613 1.00 0.00 C ATOM 638 O THR A 44 5.233 -1.101 -3.083 1.00 0.00 O ATOM 639 CB THR A 44 4.790 0.056 -5.698 1.00 0.00 C ATOM 640 OG1 THR A 44 4.274 0.952 -6.662 1.00 0.00 O ATOM 641 CG2 THR A 44 5.370 -1.160 -6.427 1.00 0.00 C ATOM 0 H THR A 44 3.882 1.509 -3.806 1.00 0.00 H new ATOM 0 HA THR A 44 2.913 -0.858 -5.317 1.00 0.00 H new ATOM 0 HB THR A 44 5.586 0.519 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.986 1.209 -7.284 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.160 -0.836 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.780 -1.859 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.582 -1.652 -6.998 1.00 0.00 H new ATOM 649 N VAL A 45 3.291 -2.243 -3.247 1.00 0.00 N ATOM 650 CA VAL A 45 3.459 -3.094 -2.076 1.00 0.00 C ATOM 651 C VAL A 45 4.018 -4.456 -2.489 1.00 0.00 C ATOM 652 O VAL A 45 3.495 -5.064 -3.420 1.00 0.00 O ATOM 653 CB VAL A 45 2.104 -3.274 -1.362 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.339 -3.828 0.049 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.297 -1.971 -1.273 1.00 0.00 C ATOM 0 H VAL A 45 2.446 -2.458 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 45 4.163 -2.620 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 45 1.518 -3.974 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.381 -3.955 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.845 -4.791 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.958 -3.132 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.354 -2.161 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.868 -1.227 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.095 -1.599 -2.277 1.00 0.00 H new ATOM 665 N GLU A 46 5.056 -4.934 -1.785 1.00 0.00 N ATOM 666 CA GLU A 46 5.616 -6.272 -1.931 1.00 0.00 C ATOM 667 C GLU A 46 5.159 -7.081 -0.717 1.00 0.00 C ATOM 668 O GLU A 46 5.351 -6.636 0.415 1.00 0.00 O ATOM 669 CB GLU A 46 7.150 -6.213 -1.994 1.00 0.00 C ATOM 670 CG GLU A 46 7.695 -5.493 -3.236 1.00 0.00 C ATOM 671 CD GLU A 46 7.427 -3.987 -3.241 1.00 0.00 C ATOM 672 OE1 GLU A 46 8.031 -3.286 -2.401 1.00 0.00 O ATOM 673 OE2 GLU A 46 6.618 -3.560 -4.091 1.00 0.00 O ATOM 0 H GLU A 46 5.538 -4.377 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 46 5.274 -6.735 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.521 -5.709 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.544 -7.229 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.770 -5.662 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.249 -5.935 -4.127 1.00 0.00 H new ATOM 680 N TYR A 47 4.542 -8.249 -0.942 1.00 0.00 N ATOM 681 CA TYR A 47 3.868 -8.998 0.111 1.00 0.00 C ATOM 682 C TYR A 47 3.885 -10.508 -0.133 1.00 0.00 C ATOM 683 O TYR A 47 4.230 -10.966 -1.221 1.00 0.00 O ATOM 684 CB TYR A 47 2.422 -8.499 0.223 1.00 0.00 C ATOM 685 CG TYR A 47 1.575 -8.834 -0.994 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.624 -8.008 -2.132 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.762 -9.983 -1.002 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.943 -8.384 -3.301 1.00 0.00 C ATOM 689 CE2 TYR A 47 0.070 -10.351 -2.169 1.00 0.00 C ATOM 690 CZ TYR A 47 0.173 -9.557 -3.324 1.00 0.00 C ATOM 691 OH TYR A 47 -0.459 -9.921 -4.477 1.00 0.00 O ATOM 0 H TYR A 47 4.500 -8.695 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 47 4.408 -8.828 1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.962 -8.936 1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.428 -7.419 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.185 -7.085 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.670 -10.584 -0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.012 -7.768 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.540 -11.242 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.259 -10.859 -4.678 1.00 0.00 H new ATOM 701 N ASP A 48 3.487 -11.269 0.896 1.00 0.00 N ATOM 702 CA ASP A 48 3.336 -12.716 0.863 1.00 0.00 C ATOM 703 C ASP A 48 1.844 -13.080 0.752 1.00 0.00 C ATOM 704 O ASP A 48 1.091 -12.788 1.682 1.00 0.00 O ATOM 705 CB ASP A 48 3.956 -13.319 2.128 1.00 0.00 C ATOM 706 CG ASP A 48 4.009 -14.842 2.036 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.935 -15.460 2.200 1.00 0.00 O ATOM 708 OD2 ASP A 48 5.120 -15.361 1.795 1.00 0.00 O ATOM 0 H ASP A 48 3.254 -10.870 1.806 1.00 0.00 H new ATOM 0 HA ASP A 48 3.852 -13.124 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.962 -12.924 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.373 -13.023 3.000 1.00 0.00 H new ATOM 713 N PRO A 49 1.409 -13.716 -0.354 1.00 0.00 N ATOM 714 CA PRO A 49 0.039 -14.162 -0.601 1.00 0.00 C ATOM 715 C PRO A 49 -0.646 -14.874 0.567 1.00 0.00 C ATOM 716 O PRO A 49 -1.831 -14.655 0.810 1.00 0.00 O ATOM 717 CB PRO A 49 0.123 -15.093 -1.811 1.00 0.00 C ATOM 718 CG PRO A 49 1.263 -14.472 -2.605 1.00 0.00 C ATOM 719 CD PRO A 49 2.230 -14.028 -1.512 1.00 0.00 C ATOM 0 HA PRO A 49 -0.584 -13.282 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.340 -16.121 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.808 -15.111 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.722 -15.191 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.924 -13.632 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.947 -14.816 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.804 -13.158 -1.829 1.00 0.00 H new ATOM 727 N LEU A 50 0.086 -15.742 1.275 1.00 0.00 N ATOM 728 CA LEU A 50 -0.476 -16.578 2.328 1.00 0.00 C ATOM 729 C LEU A 50 -0.936 -15.746 3.530 1.00 0.00 C ATOM 730 O LEU A 50 -1.870 -16.147 4.222 1.00 0.00 O ATOM 731 CB LEU A 50 0.537 -17.646 2.768 1.00 0.00 C ATOM 732 CG LEU A 50 1.128 -18.478 1.615 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.127 -19.489 2.189 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.044 -19.223 0.828 1.00 0.00 C ATOM 0 H LEU A 50 1.086 -15.880 1.129 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.355 -17.075 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.352 -17.158 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.052 -18.320 3.474 1.00 0.00 H new ATOM 0 HG LEU A 50 1.624 -17.794 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.550 -20.082 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.926 -18.958 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.616 -20.147 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.507 -19.796 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.490 -19.899 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.656 -18.504 0.403 1.00 0.00 H new ATOM 746 N LEU A 51 -0.284 -14.602 3.779 1.00 0.00 N ATOM 747 CA LEU A 51 -0.542 -13.755 4.938 1.00 0.00 C ATOM 748 C LEU A 51 -1.442 -12.572 4.564 1.00 0.00 C ATOM 749 O LEU A 51 -2.261 -12.161 5.384 1.00 0.00 O ATOM 750 CB LEU A 51 0.785 -13.263 5.532 1.00 0.00 C ATOM 751 CG LEU A 51 1.442 -14.260 6.504 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.846 -15.576 5.830 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.687 -13.619 7.127 1.00 0.00 C ATOM 0 H LEU A 51 0.447 -14.239 3.168 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.066 -14.345 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.480 -13.052 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.611 -12.322 6.055 1.00 0.00 H new ATOM 0 HG LEU A 51 0.699 -14.497 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.303 -16.237 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.962 -16.057 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.561 -15.372 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.153 -14.324 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.395 -13.359 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.400 -12.718 7.669 1.00 0.00 H new ATOM 765 N THR A 52 -1.302 -12.019 3.350 1.00 0.00 N ATOM 766 CA THR A 52 -2.105 -10.887 2.895 1.00 0.00 C ATOM 767 C THR A 52 -2.277 -10.926 1.373 1.00 0.00 C ATOM 768 O THR A 52 -1.646 -11.732 0.695 1.00 0.00 O ATOM 769 CB THR A 52 -1.483 -9.573 3.394 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.387 -8.502 3.213 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.171 -9.251 2.674 1.00 0.00 C ATOM 0 H THR A 52 -0.627 -12.348 2.660 1.00 0.00 H new ATOM 0 HA THR A 52 -3.107 -10.952 3.320 1.00 0.00 H new ATOM 0 HB THR A 52 -1.268 -9.703 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.979 -7.672 3.536 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.234 -8.314 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.545 -10.054 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.357 -9.155 1.604 1.00 0.00 H new ATOM 779 N SER A 53 -3.143 -10.056 0.843 1.00 0.00 N ATOM 780 CA SER A 53 -3.555 -10.033 -0.555 1.00 0.00 C ATOM 781 C SER A 53 -3.898 -8.593 -0.965 1.00 0.00 C ATOM 782 O SER A 53 -4.126 -7.765 -0.085 1.00 0.00 O ATOM 783 CB SER A 53 -4.758 -10.971 -0.723 1.00 0.00 C ATOM 784 OG SER A 53 -5.845 -10.521 0.060 1.00 0.00 O ATOM 0 H SER A 53 -3.589 -9.326 1.398 1.00 0.00 H new ATOM 0 HA SER A 53 -2.749 -10.378 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.050 -11.014 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.482 -11.983 -0.427 1.00 0.00 H new ATOM 0 HG SER A 53 -6.606 -11.127 -0.058 1.00 0.00 H new ATOM 790 N PRO A 54 -3.946 -8.267 -2.271 1.00 0.00 N ATOM 791 CA PRO A 54 -4.203 -6.916 -2.759 1.00 0.00 C ATOM 792 C PRO A 54 -5.434 -6.265 -2.127 1.00 0.00 C ATOM 793 O PRO A 54 -5.356 -5.130 -1.665 1.00 0.00 O ATOM 794 CB PRO A 54 -4.331 -7.036 -4.280 1.00 0.00 C ATOM 795 CG PRO A 54 -3.444 -8.239 -4.590 1.00 0.00 C ATOM 796 CD PRO A 54 -3.707 -9.157 -3.398 1.00 0.00 C ATOM 0 HA PRO A 54 -3.386 -6.252 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.363 -7.202 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.987 -6.136 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.716 -8.711 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.393 -7.960 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.568 -9.801 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.855 -9.810 -3.209 1.00 0.00 H new ATOM 804 N GLU A 55 -6.561 -6.986 -2.095 1.00 0.00 N ATOM 805 CA GLU A 55 -7.807 -6.515 -1.501 1.00 0.00 C ATOM 806 C GLU A 55 -7.641 -6.165 -0.016 1.00 0.00 C ATOM 807 O GLU A 55 -8.190 -5.165 0.443 1.00 0.00 O ATOM 808 CB GLU A 55 -8.924 -7.543 -1.737 1.00 0.00 C ATOM 809 CG GLU A 55 -8.653 -8.914 -1.101 1.00 0.00 C ATOM 810 CD GLU A 55 -9.737 -9.918 -1.478 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.810 -9.864 -0.839 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.474 -10.721 -2.400 1.00 0.00 O ATOM 0 H GLU A 55 -6.629 -7.925 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.093 -5.587 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.858 -7.147 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.064 -7.673 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.681 -9.284 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.608 -8.813 -0.017 1.00 0.00 H new ATOM 819 N THR A 56 -6.879 -6.977 0.729 1.00 0.00 N ATOM 820 CA THR A 56 -6.622 -6.754 2.146 1.00 0.00 C ATOM 821 C THR A 56 -5.793 -5.481 2.330 1.00 0.00 C ATOM 822 O THR A 56 -6.100 -4.664 3.194 1.00 0.00 O ATOM 823 CB THR A 56 -5.914 -7.975 2.754 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.627 -9.156 2.447 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.801 -7.858 4.277 1.00 0.00 C ATOM 0 H THR A 56 -6.424 -7.810 0.357 1.00 0.00 H new ATOM 0 HA THR A 56 -7.569 -6.621 2.669 1.00 0.00 H new ATOM 0 HB THR A 56 -4.913 -8.015 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.282 -9.539 1.614 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.295 -8.739 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.229 -6.966 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.798 -7.786 4.711 1.00 0.00 H new ATOM 833 N LEU A 57 -4.746 -5.318 1.513 1.00 0.00 N ATOM 834 CA LEU A 57 -3.843 -4.176 1.558 1.00 0.00 C ATOM 835 C LEU A 57 -4.580 -2.882 1.208 1.00 0.00 C ATOM 836 O LEU A 57 -4.398 -1.867 1.876 1.00 0.00 O ATOM 837 CB LEU A 57 -2.662 -4.423 0.608 1.00 0.00 C ATOM 838 CG LEU A 57 -1.820 -5.642 1.018 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.888 -6.038 -0.132 1.00 0.00 C ATOM 840 CD2 LEU A 57 -1.007 -5.368 2.285 1.00 0.00 C ATOM 0 H LEU A 57 -4.503 -5.994 0.789 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.459 -4.062 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.039 -4.570 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.027 -3.538 0.586 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.502 -6.464 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.293 -6.902 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.481 -6.289 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.226 -5.205 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.425 -6.253 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.333 -4.529 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.683 -5.126 3.106 1.00 0.00 H new ATOM 852 N ARG A 58 -5.429 -2.923 0.175 1.00 0.00 N ATOM 853 CA ARG A 58 -6.312 -1.827 -0.192 1.00 0.00 C ATOM 854 C ARG A 58 -7.191 -1.452 1.007 1.00 0.00 C ATOM 855 O ARG A 58 -7.295 -0.278 1.354 1.00 0.00 O ATOM 856 CB ARG A 58 -7.155 -2.255 -1.399 1.00 0.00 C ATOM 857 CG ARG A 58 -7.957 -1.091 -1.999 1.00 0.00 C ATOM 858 CD ARG A 58 -9.327 -1.573 -2.485 1.00 0.00 C ATOM 859 NE ARG A 58 -10.163 -2.001 -1.354 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.814 -1.171 -0.520 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.796 0.155 -0.714 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.492 -1.674 0.520 1.00 0.00 N ATOM 0 H ARG A 58 -5.518 -3.735 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.734 -0.945 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.502 -2.674 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.841 -3.047 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.085 -0.308 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.404 -0.652 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.827 -0.772 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.200 -2.401 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.256 -3.003 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.283 0.548 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.295 0.771 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.513 -2.682 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.988 -1.049 1.156 1.00 0.00 H new ATOM 876 N GLY A 59 -7.800 -2.459 1.647 1.00 0.00 N ATOM 877 CA GLY A 59 -8.592 -2.301 2.858 1.00 0.00 C ATOM 878 C GLY A 59 -7.801 -1.652 3.997 1.00 0.00 C ATOM 879 O GLY A 59 -8.336 -0.808 4.711 1.00 0.00 O ATOM 0 H GLY A 59 -7.750 -3.425 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.469 -1.693 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.954 -3.277 3.181 1.00 0.00 H new ATOM 883 N ALA A 60 -6.532 -2.039 4.174 1.00 0.00 N ATOM 884 CA ALA A 60 -5.664 -1.509 5.217 1.00 0.00 C ATOM 885 C ALA A 60 -5.381 -0.021 4.993 1.00 0.00 C ATOM 886 O ALA A 60 -5.495 0.777 5.920 1.00 0.00 O ATOM 887 CB ALA A 60 -4.368 -2.321 5.272 1.00 0.00 C ATOM 0 H ALA A 60 -6.079 -2.739 3.586 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.171 -1.599 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.721 -1.922 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.601 -3.363 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.858 -2.257 4.311 1.00 0.00 H new ATOM 893 N ILE A 61 -5.022 0.356 3.762 1.00 0.00 N ATOM 894 CA ILE A 61 -4.776 1.745 3.391 1.00 0.00 C ATOM 895 C ILE A 61 -6.066 2.561 3.556 1.00 0.00 C ATOM 896 O ILE A 61 -6.031 3.686 4.053 1.00 0.00 O ATOM 897 CB ILE A 61 -4.216 1.807 1.957 1.00 0.00 C ATOM 898 CG1 ILE A 61 -2.855 1.088 1.862 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.045 3.269 1.520 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.531 0.661 0.426 1.00 0.00 C ATOM 0 H ILE A 61 -4.894 -0.302 2.993 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.028 2.186 4.050 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.926 1.305 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.070 1.748 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.863 0.210 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.649 3.301 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.011 3.773 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.354 3.772 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.564 0.159 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.302 -0.021 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.497 1.541 -0.216 1.00 0.00 H new ATOM 912 N GLU A 62 -7.209 1.991 3.154 1.00 0.00 N ATOM 913 CA GLU A 62 -8.517 2.600 3.344 1.00 0.00 C ATOM 914 C GLU A 62 -8.789 2.852 4.830 1.00 0.00 C ATOM 915 O GLU A 62 -9.276 3.923 5.186 1.00 0.00 O ATOM 916 CB GLU A 62 -9.596 1.722 2.697 1.00 0.00 C ATOM 917 CG GLU A 62 -10.987 2.359 2.783 1.00 0.00 C ATOM 918 CD GLU A 62 -12.015 1.506 2.047 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.329 0.412 2.566 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.460 1.953 0.968 1.00 0.00 O ATOM 0 H GLU A 62 -7.244 1.086 2.684 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.538 3.572 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.342 1.548 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.613 0.749 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.279 2.469 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.962 3.360 2.352 1.00 0.00 H new ATOM 927 N ASP A 63 -8.466 1.878 5.690 1.00 0.00 N ATOM 928 CA ASP A 63 -8.635 1.984 7.133 1.00 0.00 C ATOM 929 C ASP A 63 -7.809 3.138 7.710 1.00 0.00 C ATOM 930 O ASP A 63 -8.296 3.843 8.592 1.00 0.00 O ATOM 931 CB ASP A 63 -8.295 0.648 7.807 1.00 0.00 C ATOM 932 CG ASP A 63 -8.525 0.705 9.315 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.704 0.596 9.715 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.518 0.857 10.040 1.00 0.00 O ATOM 0 H ASP A 63 -8.075 0.984 5.392 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.681 2.211 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.906 -0.144 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.254 0.393 7.606 1.00 0.00 H new ATOM 939 N MET A 64 -6.578 3.348 7.215 1.00 0.00 N ATOM 940 CA MET A 64 -5.773 4.503 7.604 1.00 0.00 C ATOM 941 C MET A 64 -6.500 5.807 7.260 1.00 0.00 C ATOM 942 O MET A 64 -6.544 6.711 8.093 1.00 0.00 O ATOM 943 CB MET A 64 -4.377 4.463 6.968 1.00 0.00 C ATOM 944 CG MET A 64 -3.529 3.313 7.522 1.00 0.00 C ATOM 945 SD MET A 64 -1.808 3.289 6.952 1.00 0.00 S ATOM 946 CE MET A 64 -1.183 4.774 7.782 1.00 0.00 C ATOM 0 H MET A 64 -6.124 2.728 6.544 1.00 0.00 H new ATOM 0 HA MET A 64 -5.635 4.462 8.684 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.473 4.355 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.868 5.410 7.150 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.535 3.368 8.611 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.000 2.369 7.248 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.093 4.761 7.779 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.537 5.661 7.256 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.543 4.795 8.811 1.00 0.00 H new ATOM 956 N GLY A 65 -7.080 5.895 6.054 1.00 0.00 N ATOM 957 CA GLY A 65 -7.980 6.976 5.670 1.00 0.00 C ATOM 958 C GLY A 65 -7.585 7.597 4.334 1.00 0.00 C ATOM 959 O GLY A 65 -7.279 8.786 4.278 1.00 0.00 O ATOM 0 H GLY A 65 -6.932 5.207 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.999 6.595 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.975 7.744 6.443 1.00 0.00 H new ATOM 963 N PHE A 66 -7.603 6.793 3.264 1.00 0.00 N ATOM 964 CA PHE A 66 -7.357 7.246 1.900 1.00 0.00 C ATOM 965 C PHE A 66 -8.309 6.531 0.945 1.00 0.00 C ATOM 966 O PHE A 66 -8.796 5.443 1.251 1.00 0.00 O ATOM 967 CB PHE A 66 -5.897 6.982 1.513 1.00 0.00 C ATOM 968 CG PHE A 66 -4.896 7.699 2.396 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.493 9.009 2.080 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.389 7.068 3.548 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.654 9.718 2.956 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.558 7.780 4.430 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.204 9.110 4.142 1.00 0.00 C ATOM 0 H PHE A 66 -7.793 5.793 3.329 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.537 8.319 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.706 5.910 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.743 7.290 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.829 9.470 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.638 6.038 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.355 10.728 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.192 7.306 5.328 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.586 9.665 4.832 1.00 0.00 H new ATOM 983 N ASP A 67 -8.566 7.135 -0.219 1.00 0.00 N ATOM 984 CA ASP A 67 -9.355 6.512 -1.270 1.00 0.00 C ATOM 985 C ASP A 67 -8.449 5.529 -2.013 1.00 0.00 C ATOM 986 O ASP A 67 -7.772 5.900 -2.972 1.00 0.00 O ATOM 987 CB ASP A 67 -9.954 7.593 -2.179 1.00 0.00 C ATOM 988 CG ASP A 67 -10.668 7.003 -3.395 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.398 6.006 -3.203 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.475 7.560 -4.497 1.00 0.00 O ATOM 0 H ASP A 67 -8.230 8.069 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.200 5.955 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.658 8.197 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.161 8.261 -2.516 1.00 0.00 H new ATOM 995 N ALA A 68 -8.436 4.277 -1.539 1.00 0.00 N ATOM 996 CA ALA A 68 -7.562 3.220 -2.019 1.00 0.00 C ATOM 997 C ALA A 68 -8.324 2.321 -2.992 1.00 0.00 C ATOM 998 O ALA A 68 -9.385 1.807 -2.643 1.00 0.00 O ATOM 999 CB ALA A 68 -7.050 2.414 -0.823 1.00 0.00 C ATOM 0 H ALA A 68 -9.055 3.971 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.711 3.651 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.393 1.618 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.497 3.071 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.895 1.978 -0.290 1.00 0.00 H new ATOM 1005 N THR A 69 -7.788 2.135 -4.205 1.00 0.00 N ATOM 1006 CA THR A 69 -8.375 1.294 -5.244 1.00 0.00 C ATOM 1007 C THR A 69 -7.251 0.635 -6.043 1.00 0.00 C ATOM 1008 O THR A 69 -6.287 1.304 -6.405 1.00 0.00 O ATOM 1009 CB THR A 69 -9.274 2.129 -6.172 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.550 3.216 -6.712 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.519 2.671 -5.462 1.00 0.00 C ATOM 0 H THR A 69 -6.915 2.577 -4.493 1.00 0.00 H new ATOM 0 HA THR A 69 -8.993 0.525 -4.781 1.00 0.00 H new ATOM 0 HB THR A 69 -9.603 1.457 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.134 3.737 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.115 3.252 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.113 1.839 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.216 3.308 -4.631 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.371 -0.669 -6.321 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.345 -1.448 -7.005 1.00 0.00 C ATOM 1021 C LEU A 70 -6.051 -0.900 -8.404 1.00 0.00 C ATOM 1022 O LEU A 70 -6.970 -0.494 -9.115 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.786 -2.914 -7.134 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.125 -3.610 -5.806 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.537 -5.059 -6.090 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.931 -3.605 -4.850 1.00 0.00 C ATOM 0 H LEU A 70 -8.196 -1.215 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.438 -1.377 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.660 -2.959 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.992 -3.474 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.942 -3.065 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.779 -5.559 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.411 -5.068 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.715 -5.582 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.206 -4.105 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.094 -4.130 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.641 -2.576 -4.636 1.00 0.00 H new ATOM 1038 N SER A 71 -4.771 -0.906 -8.799 1.00 0.00 N ATOM 1039 CA SER A 71 -4.356 -0.636 -10.170 1.00 0.00 C ATOM 1040 C SER A 71 -4.456 -1.930 -10.979 1.00 0.00 C ATOM 1041 O SER A 71 -4.912 -1.912 -12.121 1.00 0.00 O ATOM 1042 CB SER A 71 -2.923 -0.095 -10.201 1.00 0.00 C ATOM 1043 OG SER A 71 -2.770 0.989 -9.309 1.00 0.00 O ATOM 0 H SER A 71 -3.994 -1.100 -8.167 1.00 0.00 H new ATOM 0 HA SER A 71 -5.009 0.120 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.225 -0.889 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.673 0.224 -11.213 1.00 0.00 H new ATOM 0 HG SER A 71 -2.083 1.599 -9.650 1.00 0.00 H new ATOM 1049 N ASP A 72 -4.027 -3.046 -10.375 1.00 0.00 N ATOM 1050 CA ASP A 72 -4.100 -4.376 -10.962 1.00 0.00 C ATOM 1051 C ASP A 72 -5.557 -4.833 -11.051 1.00 0.00 C ATOM 1052 O ASP A 72 -5.924 -5.358 -12.125 1.00 0.00 O ATOM 1053 CB ASP A 72 -3.286 -5.362 -10.114 1.00 0.00 C ATOM 1054 CG ASP A 72 -1.825 -4.940 -9.988 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -1.080 -5.150 -10.970 1.00 0.00 O ATOM 1056 OD2 ASP A 72 -1.477 -4.412 -8.909 1.00 0.00 O ATOM 1057 OXT ASP A 72 -6.276 -4.656 -10.043 1.00 0.00 O ATOM 0 H ASP A 72 -3.611 -3.041 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.683 -4.345 -11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.728 -5.436 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.339 -6.354 -10.562 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 0.084 14.295 4.082 1.00 0.00 AG