USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 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 NoAdj : A 15 ASN H : A 14 CYS C : A 73 AGAG :(metal ligand) USER MOD Set 1.1: A 8 ASN : amide:sc= -0.19 K(o=-0.37,f=-1.5) USER MOD Set 1.2: A 71 SER OG : rot 100:sc= -0.183 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.801 USER MOD Set 2.2: A 56 THR OG1 : rot 80:sc= 0.895 USER MOD Set 3.1: A 3 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 37 SER OG : rot 110:sc= 0.963 USER MOD Set 4.2: A 40 ASN : amide:sc= 0.7 X(o=1.7,f=1.4) USER MOD Set 5.1: A 15 ASN : amide:sc= 0.66 K(o=1.4,f=-0.042) USER MOD Set 5.2: A 19 GLN : amide:sc= 0.759 K(o=1.4,f=-0.042) USER MOD Single : A 1 LEU N :NH3+ -150:sc= 0 (180deg=-0.00971) USER MOD Single : A 2 THR OG1 : rot 32:sc= 0.459 USER MOD Single : A 5 THR OG1 : rot 100:sc= 0.00177 USER MOD Single : A 12 MET CE :methyl -178:sc= -0.0252 (180deg=-0.0295) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 97:sc= 0.0763 USER MOD Single : A 17 CYS SG : rot -96:sc= -3.01! USER MOD Single : A 20 SER OG : rot 77:sc= 0.9 USER MOD Single : A 26 SER OG : rot -97:sc= 0.0837 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00316) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0.116 (180deg=0.0268) USER MOD Single : A 33 SER OG : rot 50:sc= 0.438 USER MOD Single : A 41 SER OG : rot -13:sc= 0.878 USER MOD Single : A 42 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 160:sc= -0.0152 (180deg=-0.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.490 -17.227 -2.748 1.00 0.00 N ATOM 2 CA LEU A 1 4.579 -17.019 -1.774 1.00 0.00 C ATOM 3 C LEU A 1 5.189 -15.618 -1.886 1.00 0.00 C ATOM 4 O LEU A 1 5.470 -14.988 -0.868 1.00 0.00 O ATOM 5 CB LEU A 1 5.646 -18.113 -1.918 1.00 0.00 C ATOM 6 CG LEU A 1 6.760 -18.054 -0.856 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.220 -18.249 0.566 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.794 -19.145 -1.157 1.00 0.00 C ATOM 0 H1 LEU A 1 2.798 -17.897 -2.357 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.021 -16.320 -2.943 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.883 -17.611 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 1 4.150 -17.092 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.160 -19.087 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.098 -18.036 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 1 7.213 -17.064 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.044 -18.199 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.497 -17.465 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.734 -19.222 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.587 -19.111 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.311 -20.122 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.220 -18.979 -2.146 1.00 0.00 H new ATOM 22 N THR A 2 5.389 -15.136 -3.121 1.00 0.00 N ATOM 23 CA THR A 2 5.921 -13.812 -3.412 1.00 0.00 C ATOM 24 C THR A 2 5.115 -13.177 -4.547 1.00 0.00 C ATOM 25 O THR A 2 5.036 -13.750 -5.633 1.00 0.00 O ATOM 26 CB THR A 2 7.406 -13.902 -3.805 1.00 0.00 C ATOM 27 OG1 THR A 2 7.571 -14.701 -4.960 1.00 0.00 O ATOM 28 CG2 THR A 2 8.283 -14.494 -2.698 1.00 0.00 C ATOM 0 H THR A 2 5.178 -15.675 -3.961 1.00 0.00 H new ATOM 0 HA THR A 2 5.839 -13.193 -2.519 1.00 0.00 H new ATOM 0 HB THR A 2 7.723 -12.876 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.783 -14.611 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.319 -14.531 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.214 -13.871 -1.807 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.941 -15.502 -2.463 1.00 0.00 H new ATOM 36 N GLN A 3 4.540 -11.992 -4.307 1.00 0.00 N ATOM 37 CA GLN A 3 3.918 -11.165 -5.334 1.00 0.00 C ATOM 38 C GLN A 3 4.174 -9.691 -5.023 1.00 0.00 C ATOM 39 O GLN A 3 4.647 -9.347 -3.941 1.00 0.00 O ATOM 40 CB GLN A 3 2.408 -11.442 -5.422 1.00 0.00 C ATOM 41 CG GLN A 3 2.087 -12.733 -6.184 1.00 0.00 C ATOM 42 CD GLN A 3 0.594 -12.864 -6.479 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.072 -13.756 -5.960 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.060 -11.977 -7.321 1.00 0.00 N ATOM 0 H GLN A 3 4.496 -11.579 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 3 4.358 -11.412 -6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.995 -11.507 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.917 -10.603 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.645 -12.750 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.418 -13.591 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.644 -11.249 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.932 -12.027 -7.552 1.00 0.00 H new ATOM 53 N GLU A 4 3.849 -8.823 -5.987 1.00 0.00 N ATOM 54 CA GLU A 4 3.880 -7.378 -5.842 1.00 0.00 C ATOM 55 C GLU A 4 2.660 -6.801 -6.556 1.00 0.00 C ATOM 56 O GLU A 4 2.289 -7.286 -7.624 1.00 0.00 O ATOM 57 CB GLU A 4 5.204 -6.827 -6.389 1.00 0.00 C ATOM 58 CG GLU A 4 5.350 -5.322 -6.132 1.00 0.00 C ATOM 59 CD GLU A 4 6.748 -4.830 -6.492 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.688 -5.214 -5.762 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.854 -4.078 -7.484 1.00 0.00 O ATOM 0 H GLU A 4 3.549 -9.124 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 4 3.832 -7.085 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.036 -7.356 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.262 -7.019 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.609 -4.778 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.146 -5.109 -5.083 1.00 0.00 H new ATOM 68 N THR A 5 2.032 -5.785 -5.952 1.00 0.00 N ATOM 69 CA THR A 5 0.824 -5.155 -6.463 1.00 0.00 C ATOM 70 C THR A 5 0.929 -3.639 -6.322 1.00 0.00 C ATOM 71 O THR A 5 1.442 -3.140 -5.321 1.00 0.00 O ATOM 72 CB THR A 5 -0.418 -5.708 -5.741 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.575 -5.112 -6.287 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.408 -5.460 -4.226 1.00 0.00 C ATOM 0 H THR A 5 2.361 -5.375 -5.078 1.00 0.00 H new ATOM 0 HA THR A 5 0.717 -5.388 -7.522 1.00 0.00 H new ATOM 0 HB THR A 5 -0.411 -6.788 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.993 -5.730 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.313 -5.876 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.466 -5.940 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.370 -4.388 -4.033 1.00 0.00 H new ATOM 82 N VAL A 6 0.426 -2.919 -7.331 1.00 0.00 N ATOM 83 CA VAL A 6 0.262 -1.477 -7.299 1.00 0.00 C ATOM 84 C VAL A 6 -1.204 -1.194 -6.974 1.00 0.00 C ATOM 85 O VAL A 6 -2.105 -1.805 -7.551 1.00 0.00 O ATOM 86 CB VAL A 6 0.698 -0.850 -8.635 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.547 0.678 -8.593 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.165 -1.179 -8.943 1.00 0.00 C ATOM 0 H VAL A 6 0.118 -3.340 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 6 0.896 -1.026 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 6 0.056 -1.267 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.861 1.101 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.496 0.936 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.169 1.083 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.448 -0.724 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.800 -0.787 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.290 -2.260 -9.007 1.00 0.00 H new ATOM 98 N ILE A 7 -1.427 -0.272 -6.033 1.00 0.00 N ATOM 99 CA ILE A 7 -2.738 0.184 -5.605 1.00 0.00 C ATOM 100 C ILE A 7 -2.693 1.708 -5.672 1.00 0.00 C ATOM 101 O ILE A 7 -1.877 2.315 -4.984 1.00 0.00 O ATOM 102 CB ILE A 7 -3.029 -0.328 -4.178 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.939 -1.867 -4.130 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.409 0.155 -3.706 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.259 -2.459 -2.754 1.00 0.00 C ATOM 0 H ILE A 7 -0.666 0.190 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.540 -0.197 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.277 0.078 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.627 -2.286 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.935 -2.173 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.599 -0.215 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.432 1.245 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.177 -0.222 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.176 -3.545 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.556 -2.070 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.274 -2.184 -2.467 1.00 0.00 H new ATOM 117 N ASN A 8 -3.546 2.329 -6.494 1.00 0.00 N ATOM 118 CA ASN A 8 -3.626 3.782 -6.591 1.00 0.00 C ATOM 119 C ASN A 8 -4.302 4.324 -5.333 1.00 0.00 C ATOM 120 O ASN A 8 -5.334 3.800 -4.922 1.00 0.00 O ATOM 121 CB ASN A 8 -4.393 4.204 -7.849 1.00 0.00 C ATOM 122 CG ASN A 8 -3.678 3.811 -9.142 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.458 3.662 -9.173 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.444 3.633 -10.220 1.00 0.00 N ATOM 0 H ASN A 8 -4.196 1.837 -7.107 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.621 4.196 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.383 3.749 -7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.539 5.284 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.020 3.364 -11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.453 3.766 -10.156 1.00 0.00 H new ATOM 131 N ILE A 9 -3.705 5.359 -4.730 1.00 0.00 N ATOM 132 CA ILE A 9 -4.130 5.959 -3.474 1.00 0.00 C ATOM 133 C ILE A 9 -4.448 7.429 -3.746 1.00 0.00 C ATOM 134 O ILE A 9 -3.543 8.216 -4.021 1.00 0.00 O ATOM 135 CB ILE A 9 -3.026 5.811 -2.406 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.646 4.335 -2.199 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.497 6.422 -1.077 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.502 4.149 -1.196 1.00 0.00 C ATOM 0 H ILE A 9 -2.882 5.814 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.016 5.456 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.142 6.343 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.521 3.785 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.357 3.902 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.712 6.314 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.718 7.480 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.396 5.907 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.279 3.087 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.616 4.673 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.797 4.555 -0.228 1.00 0.00 H new ATOM 150 N ASP A 10 -5.732 7.791 -3.659 1.00 0.00 N ATOM 151 CA ASP A 10 -6.212 9.160 -3.776 1.00 0.00 C ATOM 152 C ASP A 10 -6.490 9.724 -2.378 1.00 0.00 C ATOM 153 O ASP A 10 -6.839 8.983 -1.459 1.00 0.00 O ATOM 154 CB ASP A 10 -7.450 9.183 -4.683 1.00 0.00 C ATOM 155 CG ASP A 10 -8.123 10.552 -4.711 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.482 11.490 -5.234 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.262 10.639 -4.202 1.00 0.00 O ATOM 0 H ASP A 10 -6.481 7.117 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.458 9.799 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.161 8.902 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.165 8.436 -4.337 1.00 0.00 H new ATOM 162 N GLY A 11 -6.316 11.044 -2.229 1.00 0.00 N ATOM 163 CA GLY A 11 -6.463 11.768 -0.973 1.00 0.00 C ATOM 164 C GLY A 11 -5.119 12.012 -0.277 1.00 0.00 C ATOM 165 O GLY A 11 -5.099 12.361 0.902 1.00 0.00 O ATOM 0 H GLY A 11 -6.061 11.651 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.949 12.725 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.117 11.205 -0.307 1.00 0.00 H new ATOM 169 N MET A 12 -4.000 11.840 -0.995 1.00 0.00 N ATOM 170 CA MET A 12 -2.664 12.061 -0.465 1.00 0.00 C ATOM 171 C MET A 12 -2.390 13.565 -0.482 1.00 0.00 C ATOM 172 O MET A 12 -2.230 14.158 -1.547 1.00 0.00 O ATOM 173 CB MET A 12 -1.630 11.289 -1.294 1.00 0.00 C ATOM 174 CG MET A 12 -1.901 9.781 -1.275 1.00 0.00 C ATOM 175 SD MET A 12 -0.724 8.788 -2.230 1.00 0.00 S ATOM 176 CE MET A 12 0.706 8.826 -1.126 1.00 0.00 C ATOM 0 H MET A 12 -4.007 11.540 -1.970 1.00 0.00 H new ATOM 0 HA MET A 12 -2.591 11.694 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.646 11.649 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.631 11.484 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.891 9.437 -0.241 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.904 9.601 -1.661 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.535 8.287 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.000 9.860 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.447 8.353 -0.179 1.00 0.00 H new ATOM 186 N THR A 13 -2.357 14.177 0.706 1.00 0.00 N ATOM 187 CA THR A 13 -2.327 15.623 0.877 1.00 0.00 C ATOM 188 C THR A 13 -0.898 16.159 0.776 1.00 0.00 C ATOM 189 O THR A 13 -0.660 17.143 0.078 1.00 0.00 O ATOM 190 CB THR A 13 -2.973 15.972 2.227 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.292 15.461 2.266 1.00 0.00 O ATOM 192 CG2 THR A 13 -3.034 17.485 2.457 1.00 0.00 C ATOM 0 H THR A 13 -2.350 13.667 1.589 1.00 0.00 H new ATOM 0 HA THR A 13 -2.894 16.100 0.078 1.00 0.00 H new ATOM 0 HB THR A 13 -2.358 15.526 3.009 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.703 15.682 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.498 17.688 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.024 17.896 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.624 17.950 1.667 1.00 0.00 H new ATOM 200 N CYS A 14 0.049 15.519 1.472 1.00 0.00 N ATOM 201 CA CYS A 14 1.452 15.925 1.499 1.00 0.00 C ATOM 202 C CYS A 14 2.315 14.701 1.829 1.00 0.00 C ATOM 203 O CYS A 14 1.788 13.613 2.066 1.00 0.00 O ATOM 204 CB CYS A 14 1.656 17.067 2.513 1.00 0.00 C ATOM 205 SG CYS A 14 1.468 16.492 4.212 1.00 0.00 S ATOM 0 HA CYS A 14 1.755 16.307 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.649 17.497 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.936 17.862 2.316 1.00 0.00 H new ATOM 210 N ASN A 15 3.642 14.876 1.842 1.00 0.00 N ATOM 211 CA ASN A 15 4.601 13.790 2.029 1.00 0.00 C ATOM 212 C ASN A 15 4.452 13.074 3.379 1.00 0.00 C ATOM 213 O ASN A 15 4.879 11.930 3.513 1.00 0.00 O ATOM 214 CB ASN A 15 6.025 14.323 1.835 1.00 0.00 C ATOM 215 CG ASN A 15 7.053 13.193 1.810 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.840 13.046 2.741 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.048 12.389 0.746 1.00 0.00 N ATOM 0 H ASN A 15 4.081 15.789 1.721 1.00 0.00 H new ATOM 0 HA ASN A 15 4.389 13.034 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.079 14.885 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.267 15.017 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.714 11.619 0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.378 12.544 -0.007 1.00 0.00 H new ATOM 224 N SER A 16 3.836 13.720 4.377 1.00 0.00 N ATOM 225 CA SER A 16 3.517 13.085 5.650 1.00 0.00 C ATOM 226 C SER A 16 2.689 11.812 5.442 1.00 0.00 C ATOM 227 O SER A 16 2.885 10.836 6.162 1.00 0.00 O ATOM 228 CB SER A 16 2.777 14.063 6.566 1.00 0.00 C ATOM 229 OG SER A 16 3.536 15.240 6.748 1.00 0.00 O ATOM 0 H SER A 16 3.547 14.697 4.319 1.00 0.00 H new ATOM 0 HA SER A 16 4.454 12.801 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.807 14.312 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.586 13.593 7.531 1.00 0.00 H new ATOM 0 HG SER A 16 3.220 15.932 6.130 1.00 0.00 H new ATOM 235 N CYS A 17 1.777 11.811 4.459 1.00 0.00 N ATOM 236 CA CYS A 17 0.968 10.644 4.131 1.00 0.00 C ATOM 237 C CYS A 17 1.849 9.507 3.619 1.00 0.00 C ATOM 238 O CYS A 17 1.662 8.367 4.033 1.00 0.00 O ATOM 239 CB CYS A 17 -0.103 10.992 3.095 1.00 0.00 C ATOM 240 SG CYS A 17 -1.202 12.347 3.565 1.00 0.00 S ATOM 0 H CYS A 17 1.585 12.623 3.873 1.00 0.00 H new ATOM 0 HA CYS A 17 0.468 10.316 5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.389 11.251 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.706 10.104 2.904 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.291 11.862 4.084 1.00 0.00 H new ATOM 245 N VAL A 18 2.808 9.812 2.733 1.00 0.00 N ATOM 246 CA VAL A 18 3.750 8.832 2.201 1.00 0.00 C ATOM 247 C VAL A 18 4.451 8.123 3.360 1.00 0.00 C ATOM 248 O VAL A 18 4.448 6.895 3.430 1.00 0.00 O ATOM 249 CB VAL A 18 4.763 9.504 1.252 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.769 8.494 0.688 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.052 10.183 0.077 1.00 0.00 C ATOM 0 H VAL A 18 2.948 10.754 2.367 1.00 0.00 H new ATOM 0 HA VAL A 18 3.208 8.090 1.616 1.00 0.00 H new ATOM 0 HB VAL A 18 5.294 10.248 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.465 9.006 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.321 8.034 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.237 7.723 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.791 10.648 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.488 9.439 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.371 10.945 0.455 1.00 0.00 H new ATOM 261 N GLN A 19 5.031 8.912 4.272 1.00 0.00 N ATOM 262 CA GLN A 19 5.729 8.416 5.449 1.00 0.00 C ATOM 263 C GLN A 19 4.811 7.547 6.311 1.00 0.00 C ATOM 264 O GLN A 19 5.193 6.440 6.682 1.00 0.00 O ATOM 265 CB GLN A 19 6.269 9.595 6.270 1.00 0.00 C ATOM 266 CG GLN A 19 7.341 10.397 5.521 1.00 0.00 C ATOM 267 CD GLN A 19 7.734 11.647 6.307 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.970 11.579 7.511 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.804 12.798 5.635 1.00 0.00 N ATOM 0 H GLN A 19 5.025 9.930 4.205 1.00 0.00 H new ATOM 0 HA GLN A 19 6.562 7.797 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.444 10.257 6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.688 9.220 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.220 9.773 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.967 10.683 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.602 12.818 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.060 13.657 6.121 1.00 0.00 H new ATOM 278 N SER A 20 3.611 8.050 6.630 1.00 0.00 N ATOM 279 CA SER A 20 2.657 7.368 7.493 1.00 0.00 C ATOM 280 C SER A 20 2.264 6.012 6.909 1.00 0.00 C ATOM 281 O SER A 20 2.472 4.987 7.553 1.00 0.00 O ATOM 282 CB SER A 20 1.421 8.246 7.721 1.00 0.00 C ATOM 283 OG SER A 20 1.784 9.447 8.367 1.00 0.00 O ATOM 0 H SER A 20 3.279 8.952 6.289 1.00 0.00 H new ATOM 0 HA SER A 20 3.133 7.189 8.457 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.944 8.469 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.690 7.707 8.324 1.00 0.00 H new ATOM 0 HG SER A 20 2.195 10.056 7.719 1.00 0.00 H new ATOM 289 N ILE A 21 1.700 6.011 5.695 1.00 0.00 N ATOM 290 CA ILE A 21 1.234 4.815 5.005 1.00 0.00 C ATOM 291 C ILE A 21 2.361 3.781 4.954 1.00 0.00 C ATOM 292 O ILE A 21 2.159 2.638 5.359 1.00 0.00 O ATOM 293 CB ILE A 21 0.714 5.173 3.597 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.510 6.109 3.669 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.315 3.907 2.819 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.775 6.798 2.326 1.00 0.00 C ATOM 0 H ILE A 21 1.554 6.865 5.157 1.00 0.00 H new ATOM 0 HA ILE A 21 0.399 4.378 5.553 1.00 0.00 H new ATOM 0 HB ILE A 21 1.528 5.682 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.389 5.537 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.347 6.863 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.048 4.187 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.182 3.255 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.472 3.381 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.645 7.449 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.095 7.391 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.964 6.044 1.561 1.00 0.00 H new ATOM 308 N GLU A 22 3.541 4.184 4.465 1.00 0.00 N ATOM 309 CA GLU A 22 4.665 3.281 4.281 1.00 0.00 C ATOM 310 C GLU A 22 5.108 2.687 5.620 1.00 0.00 C ATOM 311 O GLU A 22 5.167 1.468 5.763 1.00 0.00 O ATOM 312 CB GLU A 22 5.800 4.028 3.567 1.00 0.00 C ATOM 313 CG GLU A 22 6.863 3.067 3.031 1.00 0.00 C ATOM 314 CD GLU A 22 7.883 3.806 2.172 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.551 4.062 0.994 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.973 4.106 2.707 1.00 0.00 O ATOM 0 H GLU A 22 3.735 5.146 4.188 1.00 0.00 H new ATOM 0 HA GLU A 22 4.366 2.440 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.389 4.612 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.262 4.733 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.369 2.578 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.386 2.283 2.443 1.00 0.00 H new ATOM 323 N GLY A 23 5.407 3.553 6.596 1.00 0.00 N ATOM 324 CA GLY A 23 5.921 3.181 7.906 1.00 0.00 C ATOM 325 C GLY A 23 4.973 2.275 8.692 1.00 0.00 C ATOM 326 O GLY A 23 5.427 1.357 9.371 1.00 0.00 O ATOM 0 H GLY A 23 5.292 4.560 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.878 2.674 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.111 4.085 8.484 1.00 0.00 H new ATOM 330 N VAL A 24 3.662 2.529 8.614 1.00 0.00 N ATOM 331 CA VAL A 24 2.659 1.738 9.312 1.00 0.00 C ATOM 332 C VAL A 24 2.493 0.381 8.624 1.00 0.00 C ATOM 333 O VAL A 24 2.654 -0.659 9.262 1.00 0.00 O ATOM 334 CB VAL A 24 1.338 2.526 9.391 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.174 1.656 9.880 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.492 3.714 10.352 1.00 0.00 C ATOM 0 H VAL A 24 3.272 3.293 8.062 1.00 0.00 H new ATOM 0 HA VAL A 24 2.982 1.542 10.334 1.00 0.00 H new ATOM 0 HB VAL A 24 1.113 2.871 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.736 2.255 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.030 0.822 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.399 1.272 10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.553 4.266 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.751 3.347 11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.282 4.373 9.992 1.00 0.00 H new ATOM 346 N ILE A 25 2.160 0.386 7.329 1.00 0.00 N ATOM 347 CA ILE A 25 1.786 -0.823 6.607 1.00 0.00 C ATOM 348 C ILE A 25 2.974 -1.781 6.445 1.00 0.00 C ATOM 349 O ILE A 25 2.762 -2.991 6.406 1.00 0.00 O ATOM 350 CB ILE A 25 1.068 -0.458 5.292 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.231 0.302 5.630 1.00 0.00 C ATOM 352 CG2 ILE A 25 0.766 -1.704 4.447 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.072 0.654 4.402 1.00 0.00 C ATOM 0 H ILE A 25 2.144 1.230 6.757 1.00 0.00 H new ATOM 0 HA ILE A 25 1.065 -1.388 7.198 1.00 0.00 H new ATOM 0 HB ILE A 25 1.723 0.177 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.831 -0.304 6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.022 1.219 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.260 -1.407 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.699 -2.211 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.125 -2.380 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.969 1.187 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.490 1.287 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.357 -0.260 3.882 1.00 0.00 H new ATOM 365 N SER A 26 4.215 -1.272 6.390 1.00 0.00 N ATOM 366 CA SER A 26 5.417 -2.106 6.367 1.00 0.00 C ATOM 367 C SER A 26 5.464 -3.110 7.526 1.00 0.00 C ATOM 368 O SER A 26 6.056 -4.178 7.380 1.00 0.00 O ATOM 369 CB SER A 26 6.676 -1.232 6.375 1.00 0.00 C ATOM 370 OG SER A 26 6.720 -0.440 7.541 1.00 0.00 O ATOM 0 H SER A 26 4.408 -0.271 6.360 1.00 0.00 H new ATOM 0 HA SER A 26 5.381 -2.684 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.564 -1.862 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.687 -0.592 5.493 1.00 0.00 H new ATOM 0 HG SER A 26 6.373 0.455 7.342 1.00 0.00 H new ATOM 376 N LYS A 27 4.845 -2.774 8.666 1.00 0.00 N ATOM 377 CA LYS A 27 4.872 -3.587 9.874 1.00 0.00 C ATOM 378 C LYS A 27 3.725 -4.604 9.896 1.00 0.00 C ATOM 379 O LYS A 27 3.787 -5.560 10.668 1.00 0.00 O ATOM 380 CB LYS A 27 4.795 -2.673 11.104 1.00 0.00 C ATOM 381 CG LYS A 27 5.970 -1.688 11.156 1.00 0.00 C ATOM 382 CD LYS A 27 5.812 -0.737 12.345 1.00 0.00 C ATOM 383 CE LYS A 27 6.984 0.248 12.397 1.00 0.00 C ATOM 384 NZ LYS A 27 6.838 1.193 13.517 1.00 0.00 N ATOM 0 H LYS A 27 4.305 -1.915 8.769 1.00 0.00 H new ATOM 0 HA LYS A 27 5.806 -4.148 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.857 -2.119 11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.790 -3.281 12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.909 -2.235 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.017 -1.117 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.873 -0.191 12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.766 -1.308 13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.920 -0.301 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.041 0.799 11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.646 1.847 13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.957 1.733 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.808 0.667 14.414 1.00 0.00 H new ATOM 398 N LYS A 28 2.686 -4.420 9.068 1.00 0.00 N ATOM 399 CA LYS A 28 1.560 -5.344 9.009 1.00 0.00 C ATOM 400 C LYS A 28 2.001 -6.656 8.344 1.00 0.00 C ATOM 401 O LYS A 28 2.799 -6.631 7.405 1.00 0.00 O ATOM 402 CB LYS A 28 0.373 -4.693 8.285 1.00 0.00 C ATOM 403 CG LYS A 28 -0.182 -3.531 9.119 1.00 0.00 C ATOM 404 CD LYS A 28 -1.404 -2.890 8.451 1.00 0.00 C ATOM 405 CE LYS A 28 -1.961 -1.789 9.361 1.00 0.00 C ATOM 406 NZ LYS A 28 -3.062 -1.052 8.720 1.00 0.00 N ATOM 0 H LYS A 28 2.609 -3.630 8.427 1.00 0.00 H new ATOM 0 HA LYS A 28 1.225 -5.582 10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.689 -4.330 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.408 -5.433 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.456 -3.892 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.594 -2.778 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.126 -2.472 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.168 -3.645 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.314 -2.232 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.162 -1.094 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.422 -0.328 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.715 -0.594 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.828 -1.713 8.479 1.00 0.00 H new ATOM 420 N PRO A 29 1.509 -7.811 8.827 1.00 0.00 N ATOM 421 CA PRO A 29 2.000 -9.119 8.424 1.00 0.00 C ATOM 422 C PRO A 29 1.739 -9.373 6.941 1.00 0.00 C ATOM 423 O PRO A 29 0.689 -9.004 6.415 1.00 0.00 O ATOM 424 CB PRO A 29 1.278 -10.132 9.318 1.00 0.00 C ATOM 425 CG PRO A 29 -0.005 -9.403 9.712 1.00 0.00 C ATOM 426 CD PRO A 29 0.458 -7.951 9.821 1.00 0.00 C ATOM 0 HA PRO A 29 3.080 -9.198 8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.066 -11.059 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.875 -10.395 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.787 -9.524 8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.408 -9.772 10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.363 -7.260 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.830 -7.730 10.821 1.00 0.00 H new ATOM 434 N GLY A 30 2.716 -9.995 6.274 1.00 0.00 N ATOM 435 CA GLY A 30 2.670 -10.274 4.851 1.00 0.00 C ATOM 436 C GLY A 30 3.424 -9.228 4.035 1.00 0.00 C ATOM 437 O GLY A 30 3.993 -9.580 3.005 1.00 0.00 O ATOM 0 H GLY A 30 3.572 -10.321 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.098 -11.258 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.631 -10.309 4.523 1.00 0.00 H new ATOM 441 N VAL A 31 3.435 -7.962 4.477 1.00 0.00 N ATOM 442 CA VAL A 31 4.077 -6.875 3.746 1.00 0.00 C ATOM 443 C VAL A 31 5.597 -6.982 3.872 1.00 0.00 C ATOM 444 O VAL A 31 6.110 -7.340 4.931 1.00 0.00 O ATOM 445 CB VAL A 31 3.561 -5.516 4.248 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.204 -4.364 3.463 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.041 -5.437 4.070 1.00 0.00 C ATOM 0 H VAL A 31 2.998 -7.670 5.351 1.00 0.00 H new ATOM 0 HA VAL A 31 3.823 -6.955 2.689 1.00 0.00 H new ATOM 0 HB VAL A 31 3.823 -5.426 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.824 -3.413 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.286 -4.397 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.959 -4.463 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.682 -4.472 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.792 -5.548 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.566 -6.235 4.641 1.00 0.00 H new ATOM 457 N LYS A 32 6.304 -6.674 2.777 1.00 0.00 N ATOM 458 CA LYS A 32 7.753 -6.736 2.671 1.00 0.00 C ATOM 459 C LYS A 32 8.255 -5.319 2.374 1.00 0.00 C ATOM 460 O LYS A 32 8.191 -4.453 3.245 1.00 0.00 O ATOM 461 CB LYS A 32 8.122 -7.762 1.587 1.00 0.00 C ATOM 462 CG LYS A 32 7.662 -9.175 1.971 1.00 0.00 C ATOM 463 CD LYS A 32 7.630 -10.080 0.737 1.00 0.00 C ATOM 464 CE LYS A 32 7.066 -11.450 1.118 1.00 0.00 C ATOM 465 NZ LYS A 32 6.805 -12.266 -0.077 1.00 0.00 N ATOM 0 H LYS A 32 5.859 -6.364 1.913 1.00 0.00 H new ATOM 0 HA LYS A 32 8.231 -7.070 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.664 -7.474 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.201 -7.759 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.336 -9.593 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.671 -9.131 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.017 -9.627 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.635 -10.190 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.770 -11.968 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.143 -11.322 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.536 -13.228 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.031 -11.840 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.663 -12.307 -0.663 1.00 0.00 H new ATOM 479 N SER A 33 8.741 -5.077 1.151 1.00 0.00 N ATOM 480 CA SER A 33 9.219 -3.781 0.701 1.00 0.00 C ATOM 481 C SER A 33 8.055 -3.007 0.081 1.00 0.00 C ATOM 482 O SER A 33 7.759 -3.166 -1.103 1.00 0.00 O ATOM 483 CB SER A 33 10.377 -3.977 -0.284 1.00 0.00 C ATOM 484 OG SER A 33 9.994 -4.843 -1.329 1.00 0.00 O ATOM 0 H SER A 33 8.811 -5.800 0.435 1.00 0.00 H new ATOM 0 HA SER A 33 9.599 -3.197 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.680 -3.014 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.241 -4.387 0.238 1.00 0.00 H new ATOM 0 HG SER A 33 9.140 -4.544 -1.706 1.00 0.00 H new ATOM 490 N ILE A 34 7.401 -2.171 0.894 1.00 0.00 N ATOM 491 CA ILE A 34 6.345 -1.271 0.455 1.00 0.00 C ATOM 492 C ILE A 34 6.961 0.067 0.037 1.00 0.00 C ATOM 493 O ILE A 34 7.820 0.603 0.736 1.00 0.00 O ATOM 494 CB ILE A 34 5.246 -1.138 1.527 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.228 -0.077 1.076 1.00 0.00 C ATOM 496 CG2 ILE A 34 5.797 -0.831 2.927 1.00 0.00 C ATOM 497 CD1 ILE A 34 2.926 -0.098 1.878 1.00 0.00 C ATOM 0 H ILE A 34 7.599 -2.104 1.892 1.00 0.00 H new ATOM 0 HA ILE A 34 5.844 -1.684 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 34 4.752 -2.105 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.682 0.910 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.998 -0.231 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.971 -0.750 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.464 -1.634 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.347 0.110 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.256 0.677 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.449 -1.072 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.144 0.087 2.930 1.00 0.00 H new ATOM 509 N ARG A 35 6.527 0.582 -1.121 1.00 0.00 N ATOM 510 CA ARG A 35 7.093 1.753 -1.775 1.00 0.00 C ATOM 511 C ARG A 35 5.950 2.713 -2.125 1.00 0.00 C ATOM 512 O ARG A 35 5.285 2.536 -3.145 1.00 0.00 O ATOM 513 CB ARG A 35 7.862 1.309 -3.031 1.00 0.00 C ATOM 514 CG ARG A 35 8.843 0.157 -2.769 1.00 0.00 C ATOM 515 CD ARG A 35 9.537 -0.246 -4.074 1.00 0.00 C ATOM 516 NE ARG A 35 10.163 -1.573 -3.977 1.00 0.00 N ATOM 517 CZ ARG A 35 9.510 -2.742 -4.106 1.00 0.00 C ATOM 518 NH1 ARG A 35 8.173 -2.781 -4.196 1.00 0.00 N ATOM 519 NH2 ARG A 35 10.204 -3.886 -4.148 1.00 0.00 N ATOM 0 H ARG A 35 5.747 0.177 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 35 7.793 2.268 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.148 1.002 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.412 2.161 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.586 0.461 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.310 -0.698 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.810 -0.246 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.295 0.495 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 35 11.167 -1.610 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.634 -1.915 -4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.694 -3.676 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.222 -3.868 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.715 -4.776 -4.246 1.00 0.00 H new ATOM 533 N VAL A 36 5.713 3.719 -1.274 1.00 0.00 N ATOM 534 CA VAL A 36 4.622 4.678 -1.429 1.00 0.00 C ATOM 535 C VAL A 36 5.131 5.938 -2.135 1.00 0.00 C ATOM 536 O VAL A 36 6.291 6.314 -1.968 1.00 0.00 O ATOM 537 CB VAL A 36 3.996 4.987 -0.056 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.761 5.888 -0.189 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.567 3.699 0.654 1.00 0.00 C ATOM 0 H VAL A 36 6.285 3.889 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 36 3.838 4.250 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 36 4.762 5.500 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.346 6.085 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.047 6.830 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.012 5.390 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.128 3.945 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.831 3.175 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.436 3.059 0.803 1.00 0.00 H new ATOM 549 N SER A 37 4.264 6.586 -2.925 1.00 0.00 N ATOM 550 CA SER A 37 4.589 7.799 -3.663 1.00 0.00 C ATOM 551 C SER A 37 3.347 8.680 -3.804 1.00 0.00 C ATOM 552 O SER A 37 2.313 8.219 -4.283 1.00 0.00 O ATOM 553 CB SER A 37 5.138 7.421 -5.043 1.00 0.00 C ATOM 554 OG SER A 37 5.374 8.580 -5.819 1.00 0.00 O ATOM 0 H SER A 37 3.304 6.272 -3.067 1.00 0.00 H new ATOM 0 HA SER A 37 5.347 8.362 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.064 6.857 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.430 6.771 -5.557 1.00 0.00 H new ATOM 0 HG SER A 37 6.339 8.711 -5.926 1.00 0.00 H new ATOM 560 N LEU A 38 3.465 9.953 -3.404 1.00 0.00 N ATOM 561 CA LEU A 38 2.456 10.979 -3.640 1.00 0.00 C ATOM 562 C LEU A 38 2.480 11.392 -5.110 1.00 0.00 C ATOM 563 O LEU A 38 1.422 11.544 -5.718 1.00 0.00 O ATOM 564 CB LEU A 38 2.698 12.166 -2.697 1.00 0.00 C ATOM 565 CG LEU A 38 1.575 13.219 -2.747 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.421 13.859 -1.364 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.864 14.330 -3.766 1.00 0.00 C ATOM 0 H LEU A 38 4.281 10.299 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 38 1.461 10.588 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.796 11.797 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.644 12.641 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 38 0.662 12.707 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.627 14.605 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.169 13.090 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.358 14.338 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.044 15.048 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.791 14.837 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.963 13.895 -4.760 1.00 0.00 H new ATOM 579 N ALA A 39 3.684 11.562 -5.676 1.00 0.00 N ATOM 580 CA ALA A 39 3.897 11.947 -7.065 1.00 0.00 C ATOM 581 C ALA A 39 3.167 11.007 -8.028 1.00 0.00 C ATOM 582 O ALA A 39 2.484 11.472 -8.937 1.00 0.00 O ATOM 583 CB ALA A 39 5.398 11.977 -7.364 1.00 0.00 C ATOM 0 H ALA A 39 4.554 11.430 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 39 3.482 12.944 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.556 12.265 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.885 12.699 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.823 10.988 -7.193 1.00 0.00 H new ATOM 589 N ASN A 40 3.302 9.692 -7.815 1.00 0.00 N ATOM 590 CA ASN A 40 2.607 8.676 -8.600 1.00 0.00 C ATOM 591 C ASN A 40 1.240 8.334 -7.990 1.00 0.00 C ATOM 592 O ASN A 40 0.482 7.575 -8.592 1.00 0.00 O ATOM 593 CB ASN A 40 3.484 7.423 -8.716 1.00 0.00 C ATOM 594 CG ASN A 40 4.799 7.704 -9.440 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.883 7.559 -10.657 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.833 8.103 -8.696 1.00 0.00 N ATOM 0 H ASN A 40 3.902 9.305 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 40 2.424 9.075 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.696 7.036 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.936 6.646 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.732 8.299 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.724 8.212 -7.688 1.00 0.00 H new ATOM 603 N SER A 41 0.923 8.894 -6.813 1.00 0.00 N ATOM 604 CA SER A 41 -0.353 8.771 -6.121 1.00 0.00 C ATOM 605 C SER A 41 -0.740 7.305 -5.934 1.00 0.00 C ATOM 606 O SER A 41 -1.829 6.893 -6.332 1.00 0.00 O ATOM 607 CB SER A 41 -1.434 9.578 -6.853 1.00 0.00 C ATOM 608 OG SER A 41 -0.986 10.895 -7.101 1.00 0.00 O ATOM 0 H SER A 41 1.588 9.472 -6.299 1.00 0.00 H new ATOM 0 HA SER A 41 -0.254 9.192 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.685 9.090 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.345 9.604 -6.254 1.00 0.00 H new ATOM 0 HG SER A 41 -0.178 11.070 -6.575 1.00 0.00 H new ATOM 614 N ASN A 42 0.163 6.513 -5.344 1.00 0.00 N ATOM 615 CA ASN A 42 0.000 5.071 -5.253 1.00 0.00 C ATOM 616 C ASN A 42 0.887 4.453 -4.172 1.00 0.00 C ATOM 617 O ASN A 42 1.744 5.119 -3.590 1.00 0.00 O ATOM 618 CB ASN A 42 0.241 4.423 -6.630 1.00 0.00 C ATOM 619 CG ASN A 42 1.677 4.545 -7.143 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.554 5.093 -6.481 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.922 4.023 -8.346 1.00 0.00 N ATOM 0 H ASN A 42 1.023 6.860 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.028 4.869 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.023 3.367 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.431 4.880 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.861 4.072 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.171 3.574 -8.870 1.00 0.00 H new ATOM 628 N GLY A 43 0.655 3.158 -3.934 1.00 0.00 N ATOM 629 CA GLY A 43 1.431 2.291 -3.072 1.00 0.00 C ATOM 630 C GLY A 43 1.793 1.037 -3.860 1.00 0.00 C ATOM 631 O GLY A 43 0.904 0.288 -4.262 1.00 0.00 O ATOM 0 H GLY A 43 -0.127 2.668 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.333 2.800 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.859 2.029 -2.182 1.00 0.00 H new ATOM 635 N THR A 44 3.096 0.818 -4.071 1.00 0.00 N ATOM 636 CA THR A 44 3.640 -0.354 -4.739 1.00 0.00 C ATOM 637 C THR A 44 4.114 -1.300 -3.640 1.00 0.00 C ATOM 638 O THR A 44 5.225 -1.166 -3.127 1.00 0.00 O ATOM 639 CB THR A 44 4.759 0.069 -5.701 1.00 0.00 C ATOM 640 OG1 THR A 44 4.224 0.951 -6.668 1.00 0.00 O ATOM 641 CG2 THR A 44 5.382 -1.139 -6.412 1.00 0.00 C ATOM 0 H THR A 44 3.816 1.475 -3.770 1.00 0.00 H new ATOM 0 HA THR A 44 2.900 -0.867 -5.354 1.00 0.00 H new ATOM 0 HB THR A 44 5.541 0.559 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.933 1.228 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.170 -0.799 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.805 -1.819 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.615 -1.659 -6.986 1.00 0.00 H new ATOM 649 N VAL A 45 3.234 -2.235 -3.266 1.00 0.00 N ATOM 650 CA VAL A 45 3.392 -3.095 -2.107 1.00 0.00 C ATOM 651 C VAL A 45 3.903 -4.463 -2.551 1.00 0.00 C ATOM 652 O VAL A 45 3.224 -5.143 -3.318 1.00 0.00 O ATOM 653 CB VAL A 45 2.049 -3.236 -1.364 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.296 -3.890 0.001 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.343 -1.888 -1.159 1.00 0.00 C ATOM 0 H VAL A 45 2.371 -2.413 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 45 4.117 -2.651 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 45 1.397 -3.854 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.350 -3.993 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.740 -4.875 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.974 -3.268 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.403 -2.046 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.982 -1.228 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.142 -1.431 -2.128 1.00 0.00 H new ATOM 665 N GLU A 46 5.078 -4.871 -2.052 1.00 0.00 N ATOM 666 CA GLU A 46 5.586 -6.228 -2.204 1.00 0.00 C ATOM 667 C GLU A 46 5.068 -7.034 -1.012 1.00 0.00 C ATOM 668 O GLU A 46 5.134 -6.549 0.118 1.00 0.00 O ATOM 669 CB GLU A 46 7.114 -6.198 -2.265 1.00 0.00 C ATOM 670 CG GLU A 46 7.682 -7.552 -2.698 1.00 0.00 C ATOM 671 CD GLU A 46 9.204 -7.503 -2.771 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.706 -6.891 -3.740 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.837 -8.073 -1.856 1.00 0.00 O ATOM 0 H GLU A 46 5.703 -4.258 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 46 5.244 -6.693 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.437 -5.426 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.514 -5.930 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.372 -8.324 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.276 -7.827 -3.671 1.00 0.00 H new ATOM 680 N TYR A 47 4.524 -8.234 -1.258 1.00 0.00 N ATOM 681 CA TYR A 47 3.797 -8.984 -0.241 1.00 0.00 C ATOM 682 C TYR A 47 3.876 -10.501 -0.434 1.00 0.00 C ATOM 683 O TYR A 47 4.359 -10.984 -1.458 1.00 0.00 O ATOM 684 CB TYR A 47 2.336 -8.512 -0.214 1.00 0.00 C ATOM 685 CG TYR A 47 1.500 -8.950 -1.407 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.679 -8.336 -2.661 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.543 -9.973 -1.267 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.927 -8.759 -3.770 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.230 -10.373 -2.371 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.036 -9.770 -3.623 1.00 0.00 C ATOM 691 OH TYR A 47 -0.780 -10.171 -4.694 1.00 0.00 O ATOM 0 H TYR A 47 4.578 -8.703 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 47 4.274 -8.783 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.866 -8.883 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.322 -7.423 -0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.397 -7.537 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.402 -10.452 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.090 -8.306 -4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.975 -11.146 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.397 -10.880 -4.416 1.00 0.00 H new ATOM 701 N ASP A 48 3.370 -11.235 0.568 1.00 0.00 N ATOM 702 CA ASP A 48 3.168 -12.678 0.543 1.00 0.00 C ATOM 703 C ASP A 48 1.664 -12.966 0.418 1.00 0.00 C ATOM 704 O ASP A 48 0.932 -12.713 1.374 1.00 0.00 O ATOM 705 CB ASP A 48 3.729 -13.301 1.833 1.00 0.00 C ATOM 706 CG ASP A 48 3.585 -14.824 1.901 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.053 -15.415 0.937 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.019 -15.378 2.934 1.00 0.00 O ATOM 0 H ASP A 48 3.081 -10.815 1.451 1.00 0.00 H new ATOM 0 HA ASP A 48 3.691 -13.115 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.784 -13.041 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.220 -12.859 2.689 1.00 0.00 H new ATOM 713 N PRO A 49 1.199 -13.510 -0.722 1.00 0.00 N ATOM 714 CA PRO A 49 -0.166 -13.985 -0.938 1.00 0.00 C ATOM 715 C PRO A 49 -0.752 -14.807 0.213 1.00 0.00 C ATOM 716 O PRO A 49 -1.938 -14.687 0.513 1.00 0.00 O ATOM 717 CB PRO A 49 -0.110 -14.817 -2.221 1.00 0.00 C ATOM 718 CG PRO A 49 0.987 -14.114 -3.011 1.00 0.00 C ATOM 719 CD PRO A 49 1.986 -13.728 -1.925 1.00 0.00 C ATOM 0 HA PRO A 49 -0.834 -13.126 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.137 -15.859 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.062 -14.811 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.434 -14.771 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.608 -13.241 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.722 -14.517 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.536 -12.828 -2.201 1.00 0.00 H new ATOM 727 N LEU A 50 0.074 -15.646 0.848 1.00 0.00 N ATOM 728 CA LEU A 50 -0.352 -16.535 1.920 1.00 0.00 C ATOM 729 C LEU A 50 -0.811 -15.753 3.156 1.00 0.00 C ATOM 730 O LEU A 50 -1.713 -16.204 3.860 1.00 0.00 O ATOM 731 CB LEU A 50 0.792 -17.491 2.292 1.00 0.00 C ATOM 732 CG LEU A 50 1.341 -18.314 1.112 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.550 -19.127 1.588 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.285 -19.261 0.532 1.00 0.00 C ATOM 0 H LEU A 50 1.066 -15.723 0.625 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.204 -17.111 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.607 -16.912 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.441 -18.175 3.065 1.00 0.00 H new ATOM 0 HG LEU A 50 1.631 -17.620 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.944 -19.713 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.322 -18.450 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.244 -19.797 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.715 -19.822 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.046 -19.954 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.567 -18.682 0.175 1.00 0.00 H new ATOM 746 N LEU A 51 -0.187 -14.598 3.424 1.00 0.00 N ATOM 747 CA LEU A 51 -0.399 -13.812 4.633 1.00 0.00 C ATOM 748 C LEU A 51 -1.326 -12.617 4.387 1.00 0.00 C ATOM 749 O LEU A 51 -2.073 -12.240 5.288 1.00 0.00 O ATOM 750 CB LEU A 51 0.959 -13.350 5.175 1.00 0.00 C ATOM 751 CG LEU A 51 1.877 -14.508 5.607 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.259 -13.955 5.975 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.314 -15.275 6.810 1.00 0.00 C ATOM 0 H LEU A 51 0.493 -14.181 2.788 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.894 -14.442 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.465 -12.762 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.795 -12.690 6.027 1.00 0.00 H new ATOM 0 HG LEU A 51 1.947 -15.200 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.909 -14.775 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.692 -13.452 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.160 -13.245 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.996 -16.082 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.205 -14.596 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.341 -15.693 6.552 1.00 0.00 H new ATOM 765 N THR A 52 -1.284 -12.015 3.191 1.00 0.00 N ATOM 766 CA THR A 52 -2.106 -10.861 2.840 1.00 0.00 C ATOM 767 C THR A 52 -2.426 -10.884 1.342 1.00 0.00 C ATOM 768 O THR A 52 -1.859 -11.685 0.603 1.00 0.00 O ATOM 769 CB THR A 52 -1.399 -9.571 3.290 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.289 -8.476 3.237 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.166 -9.251 2.442 1.00 0.00 C ATOM 0 H THR A 52 -0.671 -12.322 2.436 1.00 0.00 H new ATOM 0 HA THR A 52 -3.062 -10.900 3.362 1.00 0.00 H new ATOM 0 HB THR A 52 -1.070 -9.740 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.825 -7.663 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.295 -8.331 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.550 -10.069 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.463 -9.124 1.401 1.00 0.00 H new ATOM 779 N SER A 53 -3.339 -10.011 0.897 1.00 0.00 N ATOM 780 CA SER A 53 -3.813 -9.940 -0.482 1.00 0.00 C ATOM 781 C SER A 53 -4.005 -8.474 -0.889 1.00 0.00 C ATOM 782 O SER A 53 -4.108 -7.624 -0.007 1.00 0.00 O ATOM 783 CB SER A 53 -5.128 -10.723 -0.604 1.00 0.00 C ATOM 784 OG SER A 53 -6.196 -10.010 -0.013 1.00 0.00 O ATOM 0 H SER A 53 -3.777 -9.319 1.505 1.00 0.00 H new ATOM 0 HA SER A 53 -3.078 -10.385 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.348 -10.911 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.023 -11.695 -0.122 1.00 0.00 H new ATOM 0 HG SER A 53 -7.024 -10.526 -0.104 1.00 0.00 H new ATOM 790 N PRO A 54 -4.077 -8.152 -2.194 1.00 0.00 N ATOM 791 CA PRO A 54 -4.327 -6.799 -2.676 1.00 0.00 C ATOM 792 C PRO A 54 -5.535 -6.141 -2.001 1.00 0.00 C ATOM 793 O PRO A 54 -5.465 -4.973 -1.627 1.00 0.00 O ATOM 794 CB PRO A 54 -4.514 -6.922 -4.191 1.00 0.00 C ATOM 795 CG PRO A 54 -3.683 -8.155 -4.535 1.00 0.00 C ATOM 796 CD PRO A 54 -3.918 -9.056 -3.324 1.00 0.00 C ATOM 0 HA PRO A 54 -3.491 -6.144 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.562 -7.053 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.158 -6.035 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.016 -8.624 -5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.628 -7.912 -4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.805 -9.674 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.078 -9.734 -3.170 1.00 0.00 H new ATOM 804 N GLU A 55 -6.631 -6.892 -1.833 1.00 0.00 N ATOM 805 CA GLU A 55 -7.845 -6.411 -1.188 1.00 0.00 C ATOM 806 C GLU A 55 -7.616 -6.098 0.293 1.00 0.00 C ATOM 807 O GLU A 55 -8.140 -5.104 0.793 1.00 0.00 O ATOM 808 CB GLU A 55 -8.976 -7.431 -1.358 1.00 0.00 C ATOM 809 CG GLU A 55 -9.345 -7.603 -2.836 1.00 0.00 C ATOM 810 CD GLU A 55 -10.656 -8.366 -2.989 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.706 -7.687 -2.998 1.00 0.00 O ATOM 812 OE2 GLU A 55 -10.585 -9.610 -3.090 1.00 0.00 O ATOM 0 H GLU A 55 -6.694 -7.860 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.134 -5.479 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.670 -8.391 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.852 -7.105 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.433 -6.625 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.548 -8.136 -3.353 1.00 0.00 H new ATOM 819 N THR A 56 -6.840 -6.930 0.999 1.00 0.00 N ATOM 820 CA THR A 56 -6.498 -6.691 2.397 1.00 0.00 C ATOM 821 C THR A 56 -5.687 -5.398 2.527 1.00 0.00 C ATOM 822 O THR A 56 -5.955 -4.585 3.407 1.00 0.00 O ATOM 823 CB THR A 56 -5.718 -7.886 2.965 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.384 -9.095 2.666 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.552 -7.775 4.484 1.00 0.00 C ATOM 0 H THR A 56 -6.435 -7.784 0.614 1.00 0.00 H new ATOM 0 HA THR A 56 -7.417 -6.579 2.973 1.00 0.00 H new ATOM 0 HB THR A 56 -4.732 -7.880 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.190 -9.356 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.996 -8.637 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.008 -6.862 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.534 -7.748 4.956 1.00 0.00 H new ATOM 833 N LEU A 57 -4.696 -5.217 1.645 1.00 0.00 N ATOM 834 CA LEU A 57 -3.807 -4.062 1.635 1.00 0.00 C ATOM 835 C LEU A 57 -4.581 -2.782 1.309 1.00 0.00 C ATOM 836 O LEU A 57 -4.387 -1.759 1.962 1.00 0.00 O ATOM 837 CB LEU A 57 -2.670 -4.308 0.634 1.00 0.00 C ATOM 838 CG LEU A 57 -1.795 -5.518 1.012 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.910 -5.902 -0.179 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.939 -5.239 2.250 1.00 0.00 C ATOM 0 H LEU A 57 -4.490 -5.888 0.905 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.374 -3.927 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.093 -4.467 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.045 -3.417 0.575 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.454 -6.350 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.291 -6.758 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.539 -6.161 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.270 -5.060 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.337 -6.118 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.282 -4.391 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.587 -5.009 3.096 1.00 0.00 H new ATOM 852 N ARG A 58 -5.477 -2.844 0.317 1.00 0.00 N ATOM 853 CA ARG A 58 -6.429 -1.784 0.016 1.00 0.00 C ATOM 854 C ARG A 58 -7.221 -1.435 1.281 1.00 0.00 C ATOM 855 O ARG A 58 -7.319 -0.266 1.646 1.00 0.00 O ATOM 856 CB ARG A 58 -7.343 -2.260 -1.119 1.00 0.00 C ATOM 857 CG ARG A 58 -8.342 -1.192 -1.581 1.00 0.00 C ATOM 858 CD ARG A 58 -9.345 -1.789 -2.572 1.00 0.00 C ATOM 859 NE ARG A 58 -10.134 -2.858 -1.943 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.706 -3.895 -2.579 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.677 -3.992 -3.915 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.313 -4.850 -1.863 1.00 0.00 N ATOM 0 H ARG A 58 -5.557 -3.648 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.916 -0.879 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.729 -2.565 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.891 -3.142 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.871 -0.784 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.808 -0.364 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.011 -1.007 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.814 -2.185 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.259 -2.808 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.215 -3.271 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.117 -4.787 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.338 -4.786 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.750 -5.641 -2.335 1.00 0.00 H new ATOM 876 N GLY A 59 -7.759 -2.459 1.957 1.00 0.00 N ATOM 877 CA GLY A 59 -8.471 -2.335 3.220 1.00 0.00 C ATOM 878 C GLY A 59 -7.649 -1.603 4.283 1.00 0.00 C ATOM 879 O GLY A 59 -8.179 -0.739 4.975 1.00 0.00 O ATOM 0 H GLY A 59 -7.705 -3.422 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.406 -1.800 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.732 -3.328 3.586 1.00 0.00 H new ATOM 883 N ALA A 60 -6.361 -1.943 4.414 1.00 0.00 N ATOM 884 CA ALA A 60 -5.452 -1.319 5.368 1.00 0.00 C ATOM 885 C ALA A 60 -5.295 0.178 5.084 1.00 0.00 C ATOM 886 O ALA A 60 -5.351 0.991 6.004 1.00 0.00 O ATOM 887 CB ALA A 60 -4.098 -2.035 5.339 1.00 0.00 C ATOM 0 H ALA A 60 -5.920 -2.670 3.850 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.875 -1.414 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.422 -1.565 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.235 -3.083 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.672 -1.967 4.338 1.00 0.00 H new ATOM 893 N ILE A 61 -5.107 0.546 3.813 1.00 0.00 N ATOM 894 CA ILE A 61 -4.978 1.939 3.400 1.00 0.00 C ATOM 895 C ILE A 61 -6.281 2.701 3.687 1.00 0.00 C ATOM 896 O ILE A 61 -6.242 3.827 4.182 1.00 0.00 O ATOM 897 CB ILE A 61 -4.565 2.009 1.918 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.179 1.379 1.689 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.540 3.474 1.466 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.972 0.948 0.233 1.00 0.00 C ATOM 0 H ILE A 61 -5.040 -0.119 3.042 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.193 2.425 3.979 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.294 1.446 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.406 2.095 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.063 0.514 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.248 3.526 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.532 3.910 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.823 4.029 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.980 0.510 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.728 0.211 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.061 1.817 -0.420 1.00 0.00 H new ATOM 912 N GLU A 62 -7.434 2.091 3.387 1.00 0.00 N ATOM 913 CA GLU A 62 -8.747 2.660 3.677 1.00 0.00 C ATOM 914 C GLU A 62 -8.956 2.840 5.182 1.00 0.00 C ATOM 915 O GLU A 62 -9.533 3.842 5.598 1.00 0.00 O ATOM 916 CB GLU A 62 -9.847 1.784 3.064 1.00 0.00 C ATOM 917 CG GLU A 62 -9.848 1.903 1.534 1.00 0.00 C ATOM 918 CD GLU A 62 -10.826 0.927 0.884 1.00 0.00 C ATOM 919 OE1 GLU A 62 -10.675 -0.288 1.137 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.707 1.413 0.142 1.00 0.00 O ATOM 0 H GLU A 62 -7.477 1.179 2.932 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.801 3.650 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.693 0.744 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.818 2.084 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.111 2.922 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.843 1.715 1.155 1.00 0.00 H new ATOM 927 N ASP A 63 -8.486 1.886 5.996 1.00 0.00 N ATOM 928 CA ASP A 63 -8.561 1.959 7.449 1.00 0.00 C ATOM 929 C ASP A 63 -7.792 3.177 7.968 1.00 0.00 C ATOM 930 O ASP A 63 -8.290 3.882 8.843 1.00 0.00 O ATOM 931 CB ASP A 63 -8.047 0.655 8.072 1.00 0.00 C ATOM 932 CG ASP A 63 -8.111 0.695 9.596 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.228 0.507 10.124 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.041 0.914 10.206 1.00 0.00 O ATOM 0 H ASP A 63 -8.039 1.035 5.654 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.603 2.082 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.640 -0.183 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.019 0.481 7.755 1.00 0.00 H new ATOM 939 N MET A 64 -6.595 3.435 7.422 1.00 0.00 N ATOM 940 CA MET A 64 -5.836 4.639 7.739 1.00 0.00 C ATOM 941 C MET A 64 -6.609 5.891 7.310 1.00 0.00 C ATOM 942 O MET A 64 -6.730 6.826 8.100 1.00 0.00 O ATOM 943 CB MET A 64 -4.441 4.592 7.104 1.00 0.00 C ATOM 944 CG MET A 64 -3.579 3.508 7.760 1.00 0.00 C ATOM 945 SD MET A 64 -1.853 3.468 7.214 1.00 0.00 S ATOM 946 CE MET A 64 -1.271 5.027 7.929 1.00 0.00 C ATOM 0 H MET A 64 -6.134 2.817 6.754 1.00 0.00 H new ATOM 0 HA MET A 64 -5.699 4.686 8.819 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.530 4.395 6.036 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.956 5.562 7.210 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.599 3.653 8.840 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.030 2.536 7.560 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.184 5.008 8.007 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.574 5.856 7.290 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.704 5.156 8.921 1.00 0.00 H new ATOM 956 N GLY A 65 -7.141 5.898 6.080 1.00 0.00 N ATOM 957 CA GLY A 65 -8.071 6.915 5.607 1.00 0.00 C ATOM 958 C GLY A 65 -7.627 7.526 4.283 1.00 0.00 C ATOM 959 O GLY A 65 -7.404 8.734 4.212 1.00 0.00 O ATOM 0 H GLY A 65 -6.930 5.185 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.061 6.474 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.160 7.701 6.357 1.00 0.00 H new ATOM 963 N PHE A 66 -7.519 6.699 3.235 1.00 0.00 N ATOM 964 CA PHE A 66 -7.288 7.154 1.869 1.00 0.00 C ATOM 965 C PHE A 66 -8.125 6.314 0.907 1.00 0.00 C ATOM 966 O PHE A 66 -8.404 5.147 1.179 1.00 0.00 O ATOM 967 CB PHE A 66 -5.805 7.065 1.504 1.00 0.00 C ATOM 968 CG PHE A 66 -4.874 7.811 2.433 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.345 7.168 3.569 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.544 9.151 2.167 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.509 7.874 4.448 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.706 9.857 3.045 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.194 9.221 4.191 1.00 0.00 C ATOM 0 H PHE A 66 -7.591 5.685 3.319 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.587 8.199 1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.513 6.015 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.671 7.450 0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.582 6.133 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.935 9.638 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.107 7.383 5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.455 10.887 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.559 9.767 4.873 1.00 0.00 H new ATOM 983 N ASP A 67 -8.518 6.912 -0.221 1.00 0.00 N ATOM 984 CA ASP A 67 -9.338 6.263 -1.232 1.00 0.00 C ATOM 985 C ASP A 67 -8.443 5.364 -2.086 1.00 0.00 C ATOM 986 O ASP A 67 -7.847 5.825 -3.059 1.00 0.00 O ATOM 987 CB ASP A 67 -10.052 7.330 -2.071 1.00 0.00 C ATOM 988 CG ASP A 67 -11.011 8.163 -1.225 1.00 0.00 C ATOM 989 OD1 ASP A 67 -12.156 7.698 -1.036 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.580 9.249 -0.779 1.00 0.00 O ATOM 0 H ASP A 67 -8.269 7.873 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.105 5.641 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.313 7.984 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.603 6.849 -2.879 1.00 0.00 H new ATOM 995 N ALA A 68 -8.349 4.083 -1.706 1.00 0.00 N ATOM 996 CA ALA A 68 -7.462 3.113 -2.331 1.00 0.00 C ATOM 997 C ALA A 68 -8.235 2.248 -3.325 1.00 0.00 C ATOM 998 O ALA A 68 -9.321 1.763 -3.010 1.00 0.00 O ATOM 999 CB ALA A 68 -6.816 2.246 -1.251 1.00 0.00 C ATOM 0 H ALA A 68 -8.900 3.692 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.681 3.640 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.151 1.519 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.243 2.878 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.592 1.722 -0.692 1.00 0.00 H new ATOM 1005 N THR A 69 -7.668 2.063 -4.523 1.00 0.00 N ATOM 1006 CA THR A 69 -8.247 1.283 -5.609 1.00 0.00 C ATOM 1007 C THR A 69 -7.139 0.466 -6.275 1.00 0.00 C ATOM 1008 O THR A 69 -6.077 1.007 -6.579 1.00 0.00 O ATOM 1009 CB THR A 69 -8.912 2.218 -6.631 1.00 0.00 C ATOM 1010 OG1 THR A 69 -7.985 3.184 -7.084 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.134 2.933 -6.047 1.00 0.00 C ATOM 0 H THR A 69 -6.764 2.468 -4.765 1.00 0.00 H new ATOM 0 HA THR A 69 -9.009 0.609 -5.216 1.00 0.00 H new ATOM 0 HB THR A 69 -9.245 1.597 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.419 3.773 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.572 3.583 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.872 2.195 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.830 3.531 -5.188 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.386 -0.830 -6.501 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.409 -1.740 -7.085 1.00 0.00 C ATOM 1021 C LEU A 70 -6.039 -1.301 -8.501 1.00 0.00 C ATOM 1022 O LEU A 70 -6.926 -1.043 -9.315 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.959 -3.173 -7.139 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.466 -3.730 -5.801 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.862 -5.198 -5.992 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.415 -3.629 -4.693 1.00 0.00 C ATOM 0 H LEU A 70 -8.277 -1.274 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.522 -1.716 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.776 -3.205 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.176 -3.832 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.324 -3.132 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.224 -5.603 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.650 -5.268 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.994 -5.769 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.822 -4.036 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.529 -4.195 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.145 -2.584 -4.542 1.00 0.00 H new ATOM 1038 N SER A 71 -4.736 -1.237 -8.791 1.00 0.00 N ATOM 1039 CA SER A 71 -4.220 -1.051 -10.141 1.00 0.00 C ATOM 1040 C SER A 71 -3.935 -2.432 -10.733 1.00 0.00 C ATOM 1041 O SER A 71 -4.299 -2.700 -11.876 1.00 0.00 O ATOM 1042 CB SER A 71 -2.966 -0.173 -10.123 1.00 0.00 C ATOM 1043 OG SER A 71 -3.139 0.891 -9.213 1.00 0.00 O ATOM 0 H SER A 71 -4.005 -1.314 -8.083 1.00 0.00 H new ATOM 0 HA SER A 71 -4.953 -0.536 -10.762 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.098 -0.769 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.771 0.219 -11.121 1.00 0.00 H new ATOM 0 HG SER A 71 -2.684 0.679 -8.371 1.00 0.00 H new ATOM 1049 N ASP A 72 -3.299 -3.301 -9.932 1.00 0.00 N ATOM 1050 CA ASP A 72 -3.085 -4.710 -10.234 1.00 0.00 C ATOM 1051 C ASP A 72 -4.028 -5.548 -9.370 1.00 0.00 C ATOM 1052 O ASP A 72 -4.009 -5.342 -8.136 1.00 0.00 O ATOM 1053 CB ASP A 72 -1.626 -5.092 -9.955 1.00 0.00 C ATOM 1054 CG ASP A 72 -0.627 -4.253 -10.746 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -0.882 -4.029 -11.950 1.00 0.00 O ATOM 1056 OD2 ASP A 72 0.383 -3.851 -10.129 1.00 0.00 O ATOM 1057 OXT ASP A 72 -4.751 -6.382 -9.956 1.00 0.00 O ATOM 0 H ASP A 72 -2.910 -3.026 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.292 -4.898 -11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.424 -4.978 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.479 -6.145 -10.197 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 0.240 14.347 3.909 1.00 0.00 AG