USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 26 HIS HE2 : A 26 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -5.99! C(o=-6!,f=-4!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 150:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= -0.253 (180deg=-3.46!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.0113 X(o=0.011,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -0.18 (180deg=-1.29) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= -0.303! (180deg=-1.71!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.221 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 150:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00748 K(o=-0.0075,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.704 -25.971 11.702 1.00 0.00 N ATOM 2 CA GLY A 1 -5.020 -25.770 11.125 1.00 0.00 C ATOM 3 C GLY A 1 -4.961 -25.108 9.763 1.00 0.00 C ATOM 4 O GLY A 1 -5.071 -25.776 8.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.799 -26.426 12.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.139 -26.579 11.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.230 -25.052 11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.525 -26.732 11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.619 -25.156 11.798 1.00 0.00 H new ATOM 8 N SER A 2 -4.789 -23.790 9.755 1.00 0.00 N ATOM 9 CA SER A 2 -4.722 -23.035 8.508 1.00 0.00 C ATOM 10 C SER A 2 -3.510 -22.109 8.499 1.00 0.00 C ATOM 11 O SER A 2 -3.076 -21.625 9.545 1.00 0.00 O ATOM 12 CB SER A 2 -6.002 -22.221 8.310 1.00 0.00 C ATOM 13 OG SER A 2 -5.909 -21.397 7.161 1.00 0.00 O ATOM 0 H SER A 2 -4.693 -23.223 10.597 1.00 0.00 H new ATOM 0 HA SER A 2 -4.622 -23.745 7.687 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.853 -22.894 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.184 -21.604 9.190 1.00 0.00 H new ATOM 0 HG SER A 2 -6.740 -20.888 7.055 1.00 0.00 H new ATOM 19 N SER A 3 -2.967 -21.867 7.310 1.00 0.00 N ATOM 20 CA SER A 3 -1.802 -21.002 7.164 1.00 0.00 C ATOM 21 C SER A 3 -2.226 -19.561 6.894 1.00 0.00 C ATOM 22 O SER A 3 -3.130 -19.306 6.100 1.00 0.00 O ATOM 23 CB SER A 3 -0.908 -21.503 6.028 1.00 0.00 C ATOM 24 OG SER A 3 -1.632 -21.601 4.814 1.00 0.00 O ATOM 0 H SER A 3 -3.315 -22.258 6.434 1.00 0.00 H new ATOM 0 HA SER A 3 -1.241 -21.029 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.065 -20.824 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.495 -22.478 6.289 1.00 0.00 H new ATOM 0 HG SER A 3 -1.038 -21.922 4.104 1.00 0.00 H new ATOM 30 N GLY A 4 -1.565 -18.621 7.563 1.00 0.00 N ATOM 31 CA GLY A 4 -1.886 -17.217 7.384 1.00 0.00 C ATOM 32 C GLY A 4 -2.545 -16.612 8.607 1.00 0.00 C ATOM 33 O GLY A 4 -3.298 -17.285 9.312 1.00 0.00 O ATOM 0 H GLY A 4 -0.813 -18.807 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.974 -16.665 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.549 -17.106 6.526 1.00 0.00 H new ATOM 37 N SER A 5 -2.261 -15.339 8.862 1.00 0.00 N ATOM 38 CA SER A 5 -2.827 -14.645 10.013 1.00 0.00 C ATOM 39 C SER A 5 -4.178 -14.029 9.665 1.00 0.00 C ATOM 40 O SER A 5 -4.540 -13.919 8.493 1.00 0.00 O ATOM 41 CB SER A 5 -1.868 -13.557 10.501 1.00 0.00 C ATOM 42 OG SER A 5 -0.688 -14.123 11.043 1.00 0.00 O ATOM 0 H SER A 5 -1.642 -14.767 8.287 1.00 0.00 H new ATOM 0 HA SER A 5 -2.974 -15.374 10.810 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.611 -12.896 9.673 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.361 -12.945 11.256 1.00 0.00 H new ATOM 0 HG SER A 5 -0.091 -13.407 11.346 1.00 0.00 H new ATOM 48 N SER A 6 -4.921 -13.629 10.692 1.00 0.00 N ATOM 49 CA SER A 6 -6.235 -13.027 10.496 1.00 0.00 C ATOM 50 C SER A 6 -6.148 -11.504 10.541 1.00 0.00 C ATOM 51 O SER A 6 -5.186 -10.942 11.063 1.00 0.00 O ATOM 52 CB SER A 6 -7.212 -13.525 11.563 1.00 0.00 C ATOM 53 OG SER A 6 -8.540 -13.542 11.071 1.00 0.00 O ATOM 0 H SER A 6 -4.636 -13.711 11.668 1.00 0.00 H new ATOM 0 HA SER A 6 -6.600 -13.324 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.926 -14.527 11.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.155 -12.882 12.441 1.00 0.00 H new ATOM 0 HG SER A 6 -9.144 -13.866 11.771 1.00 0.00 H new ATOM 59 N GLY A 7 -7.160 -10.843 9.988 1.00 0.00 N ATOM 60 CA GLY A 7 -7.179 -9.392 9.975 1.00 0.00 C ATOM 61 C GLY A 7 -6.960 -8.822 8.587 1.00 0.00 C ATOM 62 O GLY A 7 -6.046 -9.237 7.874 1.00 0.00 O ATOM 0 H GLY A 7 -7.967 -11.286 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.136 -9.041 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.406 -9.015 10.645 1.00 0.00 H new ATOM 66 N LEU A 8 -7.802 -7.870 8.201 1.00 0.00 N ATOM 67 CA LEU A 8 -7.698 -7.242 6.889 1.00 0.00 C ATOM 68 C LEU A 8 -6.471 -6.339 6.813 1.00 0.00 C ATOM 69 O LEU A 8 -5.884 -5.988 7.835 1.00 0.00 O ATOM 70 CB LEU A 8 -8.961 -6.433 6.586 1.00 0.00 C ATOM 71 CG LEU A 8 -10.290 -7.146 6.837 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.411 -6.135 7.026 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.612 -8.093 5.690 1.00 0.00 C ATOM 0 H LEU A 8 -8.565 -7.516 8.778 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.593 -8.031 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.940 -5.524 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.929 -6.124 5.541 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.199 -7.732 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.349 -6.661 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.185 -5.497 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.503 -5.522 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.561 -8.592 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.684 -7.528 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.822 -8.839 5.601 1.00 0.00 H new ATOM 85 N GLN A 9 -6.093 -5.965 5.595 1.00 0.00 N ATOM 86 CA GLN A 9 -4.937 -5.101 5.386 1.00 0.00 C ATOM 87 C GLN A 9 -5.165 -4.161 4.207 1.00 0.00 C ATOM 88 O GLN A 9 -5.201 -4.592 3.054 1.00 0.00 O ATOM 89 CB GLN A 9 -3.682 -5.942 5.148 1.00 0.00 C ATOM 90 CG GLN A 9 -2.422 -5.113 4.957 1.00 0.00 C ATOM 91 CD GLN A 9 -1.675 -4.879 6.256 1.00 0.00 C ATOM 92 OE1 GLN A 9 -1.208 -5.822 6.896 1.00 0.00 O ATOM 93 NE2 GLN A 9 -1.558 -3.617 6.653 1.00 0.00 N ATOM 0 H GLN A 9 -6.570 -6.246 4.738 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.798 -4.499 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.540 -6.615 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.834 -6.565 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.764 -5.617 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.687 -4.152 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.960 -2.866 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.066 -3.398 7.519 1.00 0.00 H new ATOM 102 N CYS A 10 -5.321 -2.875 4.502 1.00 0.00 N ATOM 103 CA CYS A 10 -5.547 -1.874 3.467 1.00 0.00 C ATOM 104 C CYS A 10 -4.331 -1.752 2.553 1.00 0.00 C ATOM 105 O CYS A 10 -3.198 -1.975 2.979 1.00 0.00 O ATOM 106 CB CYS A 10 -5.860 -0.517 4.101 1.00 0.00 C ATOM 107 SG CYS A 10 -5.660 0.896 2.968 1.00 0.00 S ATOM 0 H CYS A 10 -5.295 -2.501 5.451 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.399 -2.193 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.885 -0.529 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.210 -0.372 4.964 1.00 0.00 H new ATOM 112 N GLU A 11 -4.576 -1.397 1.296 1.00 0.00 N ATOM 113 CA GLU A 11 -3.501 -1.246 0.322 1.00 0.00 C ATOM 114 C GLU A 11 -3.126 0.223 0.148 1.00 0.00 C ATOM 115 O GLU A 11 -1.975 0.550 -0.144 1.00 0.00 O ATOM 116 CB GLU A 11 -3.916 -1.841 -1.025 1.00 0.00 C ATOM 117 CG GLU A 11 -5.012 -1.055 -1.725 1.00 0.00 C ATOM 118 CD GLU A 11 -5.210 -1.485 -3.166 1.00 0.00 C ATOM 119 OE1 GLU A 11 -4.205 -1.571 -3.903 1.00 0.00 O ATOM 120 OE2 GLU A 11 -6.369 -1.737 -3.556 1.00 0.00 O ATOM 0 H GLU A 11 -5.509 -1.209 0.928 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.629 -1.783 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.043 -1.890 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.256 -2.865 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.948 -1.180 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.767 0.007 -1.697 1.00 0.00 H new ATOM 127 N ILE A 12 -4.105 1.102 0.330 1.00 0.00 N ATOM 128 CA ILE A 12 -3.878 2.536 0.194 1.00 0.00 C ATOM 129 C ILE A 12 -2.746 3.002 1.104 1.00 0.00 C ATOM 130 O ILE A 12 -1.693 3.433 0.633 1.00 0.00 O ATOM 131 CB ILE A 12 -5.149 3.341 0.521 1.00 0.00 C ATOM 132 CG1 ILE A 12 -6.241 3.053 -0.512 1.00 0.00 C ATOM 133 CG2 ILE A 12 -4.837 4.829 0.569 1.00 0.00 C ATOM 134 CD1 ILE A 12 -7.131 1.888 -0.141 1.00 0.00 C ATOM 0 H ILE A 12 -5.063 0.847 0.572 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.603 2.715 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.513 3.035 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.856 3.944 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.774 2.850 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.746 5.384 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.089 5.019 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.452 5.151 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.881 1.742 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.528 0.985 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.626 2.096 0.807 1.00 0.00 H new ATOM 146 N CYS A 13 -2.970 2.911 2.411 1.00 0.00 N ATOM 147 CA CYS A 13 -1.970 3.321 3.389 1.00 0.00 C ATOM 148 C CYS A 13 -1.255 2.109 3.978 1.00 0.00 C ATOM 149 O CYS A 13 -0.050 2.145 4.225 1.00 0.00 O ATOM 150 CB CYS A 13 -2.624 4.135 4.508 1.00 0.00 C ATOM 151 SG CYS A 13 -3.861 3.210 5.473 1.00 0.00 S ATOM 0 H CYS A 13 -3.836 2.557 2.817 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.234 3.942 2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.847 4.495 5.183 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.101 5.013 4.073 1.00 0.00 H new ATOM 156 N GLY A 14 -2.007 1.035 4.200 1.00 0.00 N ATOM 157 CA GLY A 14 -1.429 -0.173 4.758 1.00 0.00 C ATOM 158 C GLY A 14 -1.955 -0.480 6.146 1.00 0.00 C ATOM 159 O GLY A 14 -1.266 -1.102 6.955 1.00 0.00 O ATOM 0 H GLY A 14 -3.006 0.980 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.643 -1.013 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.345 -0.068 4.799 1.00 0.00 H new ATOM 163 N PHE A 15 -3.178 -0.042 6.424 1.00 0.00 N ATOM 164 CA PHE A 15 -3.795 -0.271 7.726 1.00 0.00 C ATOM 165 C PHE A 15 -4.288 -1.710 7.848 1.00 0.00 C ATOM 166 O PHE A 15 -4.223 -2.485 6.893 1.00 0.00 O ATOM 167 CB PHE A 15 -4.958 0.699 7.941 1.00 0.00 C ATOM 168 CG PHE A 15 -5.365 0.838 9.380 1.00 0.00 C ATOM 169 CD1 PHE A 15 -4.502 1.399 10.307 1.00 0.00 C ATOM 170 CD2 PHE A 15 -6.611 0.407 9.806 1.00 0.00 C ATOM 171 CE1 PHE A 15 -4.873 1.529 11.632 1.00 0.00 C ATOM 172 CE2 PHE A 15 -6.988 0.534 11.129 1.00 0.00 C ATOM 173 CZ PHE A 15 -6.118 1.095 12.043 1.00 0.00 C ATOM 0 H PHE A 15 -3.762 0.474 5.766 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.041 -0.098 8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.679 1.679 7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.816 0.360 7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.527 1.739 9.990 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.295 -0.033 9.096 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.191 1.969 12.344 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.962 0.195 11.448 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.411 1.194 13.078 1.00 0.00 H new ATOM 183 N THR A 16 -4.782 -2.061 9.031 1.00 0.00 N ATOM 184 CA THR A 16 -5.286 -3.406 9.281 1.00 0.00 C ATOM 185 C THR A 16 -6.517 -3.374 10.179 1.00 0.00 C ATOM 186 O THR A 16 -6.535 -2.683 11.198 1.00 0.00 O ATOM 187 CB THR A 16 -4.211 -4.296 9.933 1.00 0.00 C ATOM 188 OG1 THR A 16 -3.448 -3.533 10.874 1.00 0.00 O ATOM 189 CG2 THR A 16 -3.284 -4.885 8.880 1.00 0.00 C ATOM 0 H THR A 16 -4.844 -1.432 9.832 1.00 0.00 H new ATOM 0 HA THR A 16 -5.557 -3.827 8.313 1.00 0.00 H new ATOM 0 HB THR A 16 -4.713 -5.113 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.768 -4.106 11.285 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.533 -5.510 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.864 -5.489 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.790 -4.079 8.338 1.00 0.00 H new ATOM 197 N CYS A 17 -7.542 -4.127 9.796 1.00 0.00 N ATOM 198 CA CYS A 17 -8.778 -4.184 10.568 1.00 0.00 C ATOM 199 C CYS A 17 -9.464 -5.536 10.395 1.00 0.00 C ATOM 200 O CYS A 17 -9.440 -6.122 9.313 1.00 0.00 O ATOM 201 CB CYS A 17 -9.724 -3.061 10.141 1.00 0.00 C ATOM 202 SG CYS A 17 -10.717 -2.379 11.489 1.00 0.00 S ATOM 0 H CYS A 17 -7.542 -4.706 8.956 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.526 -4.055 11.621 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.138 -2.258 9.693 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.392 -3.438 9.367 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.973 -1.127 11.249 1.00 0.00 H new ATOM 208 N ARG A 18 -10.074 -6.026 11.470 1.00 0.00 N ATOM 209 CA ARG A 18 -10.764 -7.309 11.438 1.00 0.00 C ATOM 210 C ARG A 18 -12.142 -7.171 10.797 1.00 0.00 C ATOM 211 O ARG A 18 -12.487 -7.915 9.880 1.00 0.00 O ATOM 212 CB ARG A 18 -10.903 -7.873 12.854 1.00 0.00 C ATOM 213 CG ARG A 18 -9.571 -8.114 13.547 1.00 0.00 C ATOM 214 CD ARG A 18 -9.680 -9.209 14.596 1.00 0.00 C ATOM 215 NE ARG A 18 -10.503 -8.800 15.731 1.00 0.00 N ATOM 216 CZ ARG A 18 -10.898 -9.630 16.690 1.00 0.00 C ATOM 217 NH1 ARG A 18 -10.547 -10.908 16.651 1.00 0.00 N ATOM 218 NH2 ARG A 18 -11.646 -9.182 17.690 1.00 0.00 N ATOM 0 H ARG A 18 -10.104 -5.553 12.373 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.170 -7.997 10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.496 -7.183 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.455 -8.812 12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.819 -8.390 12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.232 -7.191 14.017 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.107 -10.104 14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.683 -9.474 14.948 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.790 -7.823 15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.972 -11.256 15.883 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.852 -11.543 17.389 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.918 -8.200 17.723 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.949 -9.820 18.426 1.00 0.00 H new ATOM 232 N GLN A 19 -12.923 -6.214 11.288 1.00 0.00 N ATOM 233 CA GLN A 19 -14.263 -5.979 10.763 1.00 0.00 C ATOM 234 C GLN A 19 -14.202 -5.359 9.371 1.00 0.00 C ATOM 235 O GLN A 19 -13.534 -4.347 9.159 1.00 0.00 O ATOM 236 CB GLN A 19 -15.050 -5.067 11.706 1.00 0.00 C ATOM 237 CG GLN A 19 -15.251 -5.655 13.094 1.00 0.00 C ATOM 238 CD GLN A 19 -16.021 -4.729 14.014 1.00 0.00 C ATOM 239 OE1 GLN A 19 -17.205 -4.941 14.279 1.00 0.00 O ATOM 240 NE2 GLN A 19 -15.352 -3.693 14.507 1.00 0.00 N ATOM 0 H GLN A 19 -12.651 -5.590 12.047 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.771 -6.941 10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.528 -4.114 11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.024 -4.856 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.784 -6.602 13.009 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.279 -5.874 13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.372 -3.555 14.261 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.818 -3.035 15.132 1.00 0.00 H new ATOM 249 N LYS A 20 -14.903 -5.973 8.424 1.00 0.00 N ATOM 250 CA LYS A 20 -14.930 -5.483 7.052 1.00 0.00 C ATOM 251 C LYS A 20 -15.557 -4.093 6.983 1.00 0.00 C ATOM 252 O LYS A 20 -14.924 -3.138 6.534 1.00 0.00 O ATOM 253 CB LYS A 20 -15.709 -6.450 6.157 1.00 0.00 C ATOM 254 CG LYS A 20 -14.954 -7.730 5.843 1.00 0.00 C ATOM 255 CD LYS A 20 -13.953 -7.524 4.718 1.00 0.00 C ATOM 256 CE LYS A 20 -13.602 -8.839 4.038 1.00 0.00 C ATOM 257 NZ LYS A 20 -12.393 -8.712 3.177 1.00 0.00 N ATOM 0 H LYS A 20 -15.461 -6.812 8.582 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.902 -5.417 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.651 -6.704 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.958 -5.947 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.433 -8.075 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.661 -8.512 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.366 -6.832 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.047 -7.065 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.430 -9.605 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.446 -9.172 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.624 -9.011 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.076 -7.722 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.634 -9.315 3.553 1.00 0.00 H new ATOM 271 N ALA A 21 -16.804 -3.989 7.431 1.00 0.00 N ATOM 272 CA ALA A 21 -17.514 -2.716 7.424 1.00 0.00 C ATOM 273 C ALA A 21 -16.578 -1.563 7.769 1.00 0.00 C ATOM 274 O ALA A 21 -16.568 -0.535 7.092 1.00 0.00 O ATOM 275 CB ALA A 21 -18.683 -2.758 8.396 1.00 0.00 C ATOM 0 H ALA A 21 -17.343 -4.771 7.803 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.898 -2.549 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.204 -1.801 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.371 -3.551 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.313 -2.953 9.402 1.00 0.00 H new ATOM 281 N SER A 22 -15.792 -1.740 8.826 1.00 0.00 N ATOM 282 CA SER A 22 -14.855 -0.712 9.264 1.00 0.00 C ATOM 283 C SER A 22 -13.878 -0.357 8.147 1.00 0.00 C ATOM 284 O SER A 22 -13.641 0.818 7.864 1.00 0.00 O ATOM 285 CB SER A 22 -14.086 -1.185 10.499 1.00 0.00 C ATOM 286 OG SER A 22 -14.866 -1.037 11.673 1.00 0.00 O ATOM 0 H SER A 22 -15.785 -2.586 9.395 1.00 0.00 H new ATOM 0 HA SER A 22 -15.426 0.180 9.521 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.802 -2.230 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.163 -0.614 10.597 1.00 0.00 H new ATOM 0 HG SER A 22 -14.353 -1.348 12.448 1.00 0.00 H new ATOM 292 N LEU A 23 -13.314 -1.381 7.516 1.00 0.00 N ATOM 293 CA LEU A 23 -12.361 -1.179 6.430 1.00 0.00 C ATOM 294 C LEU A 23 -12.946 -0.266 5.356 1.00 0.00 C ATOM 295 O LEU A 23 -12.330 0.727 4.970 1.00 0.00 O ATOM 296 CB LEU A 23 -11.968 -2.523 5.814 1.00 0.00 C ATOM 297 CG LEU A 23 -10.769 -2.501 4.865 1.00 0.00 C ATOM 298 CD1 LEU A 23 -9.467 -2.460 5.650 1.00 0.00 C ATOM 299 CD2 LEU A 23 -10.798 -3.709 3.941 1.00 0.00 C ATOM 0 H LEU A 23 -13.500 -2.359 7.737 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.472 -0.702 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.753 -3.222 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.828 -2.917 5.272 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.830 -1.600 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.625 -2.445 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.444 -1.563 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.398 -3.342 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.937 -3.677 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.762 -4.622 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.715 -3.695 3.352 1.00 0.00 H new ATOM 311 N ASN A 24 -14.138 -0.609 4.880 1.00 0.00 N ATOM 312 CA ASN A 24 -14.806 0.180 3.852 1.00 0.00 C ATOM 313 C ASN A 24 -14.940 1.637 4.286 1.00 0.00 C ATOM 314 O ASN A 24 -14.803 2.552 3.474 1.00 0.00 O ATOM 315 CB ASN A 24 -16.188 -0.402 3.550 1.00 0.00 C ATOM 316 CG ASN A 24 -16.112 -1.800 2.967 1.00 0.00 C ATOM 317 OD1 ASN A 24 -15.969 -1.973 1.757 1.00 0.00 O ATOM 318 ND2 ASN A 24 -16.207 -2.806 3.829 1.00 0.00 N ATOM 0 H ASN A 24 -14.661 -1.428 5.190 1.00 0.00 H new ATOM 0 HA ASN A 24 -14.198 0.142 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.778 -0.425 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.710 0.252 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.162 -3.769 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.325 -2.616 4.824 1.00 0.00 H new ATOM 325 N TRP A 25 -15.207 1.843 5.570 1.00 0.00 N ATOM 326 CA TRP A 25 -15.358 3.189 6.112 1.00 0.00 C ATOM 327 C TRP A 25 -14.014 3.906 6.172 1.00 0.00 C ATOM 328 O TRP A 25 -13.952 5.135 6.120 1.00 0.00 O ATOM 329 CB TRP A 25 -15.982 3.132 7.508 1.00 0.00 C ATOM 330 CG TRP A 25 -15.664 4.329 8.350 1.00 0.00 C ATOM 331 CD1 TRP A 25 -14.523 4.547 9.069 1.00 0.00 C ATOM 332 CD2 TRP A 25 -16.499 5.473 8.564 1.00 0.00 C ATOM 333 NE1 TRP A 25 -14.598 5.757 9.715 1.00 0.00 N ATOM 334 CE2 TRP A 25 -15.800 6.345 9.421 1.00 0.00 C ATOM 335 CE3 TRP A 25 -17.767 5.846 8.112 1.00 0.00 C ATOM 336 CZ2 TRP A 25 -16.329 7.564 9.835 1.00 0.00 C ATOM 337 CZ3 TRP A 25 -18.291 7.057 8.525 1.00 0.00 C ATOM 338 CH2 TRP A 25 -17.573 7.904 9.378 1.00 0.00 C ATOM 0 H TRP A 25 -15.323 1.096 6.255 1.00 0.00 H new ATOM 0 HA TRP A 25 -16.018 3.749 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -17.064 3.042 7.411 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.632 2.235 8.018 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -13.685 3.868 9.122 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -13.876 6.153 10.316 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -18.328 5.200 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.777 8.218 10.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -19.271 7.355 8.184 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -18.010 8.844 9.681 1.00 0.00 H new ATOM 349 N HIS A 26 -12.939 3.132 6.282 1.00 0.00 N ATOM 350 CA HIS A 26 -11.595 3.694 6.348 1.00 0.00 C ATOM 351 C HIS A 26 -11.007 3.862 4.950 1.00 0.00 C ATOM 352 O HIS A 26 -10.019 4.572 4.764 1.00 0.00 O ATOM 353 CB HIS A 26 -10.686 2.801 7.193 1.00 0.00 C ATOM 354 CG HIS A 26 -9.250 2.838 6.770 1.00 0.00 C ATOM 355 ND1 HIS A 26 -8.324 3.698 7.324 1.00 0.00 N ATOM 356 CD2 HIS A 26 -8.580 2.113 5.844 1.00 0.00 C ATOM 357 CE1 HIS A 26 -7.149 3.501 6.755 1.00 0.00 C ATOM 358 NE2 HIS A 26 -7.277 2.545 5.853 1.00 0.00 N ATOM 0 H HIS A 26 -12.973 2.114 6.327 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.662 4.676 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.757 3.108 8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.046 1.774 7.138 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -8.517 4.379 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.994 1.339 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.238 4.032 6.988 1.00 0.00 H new ATOM 366 N GLN A 27 -11.620 3.203 3.972 1.00 0.00 N ATOM 367 CA GLN A 27 -11.156 3.279 2.592 1.00 0.00 C ATOM 368 C GLN A 27 -11.858 4.405 1.842 1.00 0.00 C ATOM 369 O GLN A 27 -11.222 5.178 1.125 1.00 0.00 O ATOM 370 CB GLN A 27 -11.395 1.947 1.878 1.00 0.00 C ATOM 371 CG GLN A 27 -10.491 0.826 2.362 1.00 0.00 C ATOM 372 CD GLN A 27 -10.526 -0.387 1.453 1.00 0.00 C ATOM 373 OE1 GLN A 27 -11.496 -0.604 0.726 1.00 0.00 O ATOM 374 NE2 GLN A 27 -9.466 -1.185 1.488 1.00 0.00 N ATOM 0 H GLN A 27 -12.439 2.611 4.110 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.087 3.489 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.434 1.650 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.245 2.086 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.467 1.194 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.792 0.531 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.684 -0.967 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.433 -2.016 0.897 1.00 0.00 H new ATOM 383 N ARG A 28 -13.173 4.493 2.013 1.00 0.00 N ATOM 384 CA ARG A 28 -13.962 5.525 1.351 1.00 0.00 C ATOM 385 C ARG A 28 -13.322 6.898 1.529 1.00 0.00 C ATOM 386 O ARG A 28 -13.424 7.762 0.658 1.00 0.00 O ATOM 387 CB ARG A 28 -15.389 5.540 1.904 1.00 0.00 C ATOM 388 CG ARG A 28 -15.528 6.309 3.207 1.00 0.00 C ATOM 389 CD ARG A 28 -16.912 6.134 3.812 1.00 0.00 C ATOM 390 NE ARG A 28 -17.842 7.164 3.357 1.00 0.00 N ATOM 391 CZ ARG A 28 -19.162 7.011 3.349 1.00 0.00 C ATOM 392 NH1 ARG A 28 -19.704 5.876 3.769 1.00 0.00 N ATOM 393 NH2 ARG A 28 -19.942 7.995 2.920 1.00 0.00 N ATOM 0 H ARG A 28 -13.714 3.862 2.604 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.994 5.294 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.054 5.979 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.720 4.513 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.774 5.966 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.339 7.367 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -17.302 5.151 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.839 6.166 4.899 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.457 8.049 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -19.107 5.118 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -20.718 5.761 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.528 8.869 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.955 7.877 2.914 1.00 0.00 H new ATOM 407 N LYS A 29 -12.661 7.093 2.665 1.00 0.00 N ATOM 408 CA LYS A 29 -12.002 8.361 2.960 1.00 0.00 C ATOM 409 C LYS A 29 -10.801 8.575 2.044 1.00 0.00 C ATOM 410 O LYS A 29 -10.539 9.693 1.598 1.00 0.00 O ATOM 411 CB LYS A 29 -11.555 8.399 4.423 1.00 0.00 C ATOM 412 CG LYS A 29 -10.181 7.793 4.655 1.00 0.00 C ATOM 413 CD LYS A 29 -9.714 8.003 6.085 1.00 0.00 C ATOM 414 CE LYS A 29 -10.211 6.897 7.003 1.00 0.00 C ATOM 415 NZ LYS A 29 -11.586 7.170 7.505 1.00 0.00 N ATOM 0 H LYS A 29 -12.567 6.389 3.397 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.718 9.164 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.549 9.434 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.286 7.866 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.211 6.726 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.464 8.241 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.625 8.037 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.072 8.966 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.202 5.948 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.530 6.792 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.692 6.772 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.746 8.197 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.282 6.732 6.868 1.00 0.00 H new ATOM 429 N HIS A 30 -10.074 7.497 1.766 1.00 0.00 N ATOM 430 CA HIS A 30 -8.902 7.568 0.902 1.00 0.00 C ATOM 431 C HIS A 30 -9.246 8.234 -0.427 1.00 0.00 C ATOM 432 O HIS A 30 -8.497 9.075 -0.923 1.00 0.00 O ATOM 433 CB HIS A 30 -8.340 6.167 0.653 1.00 0.00 C ATOM 434 CG HIS A 30 -7.575 5.614 1.816 1.00 0.00 C ATOM 435 ND1 HIS A 30 -6.821 6.400 2.663 1.00 0.00 N ATOM 436 CD2 HIS A 30 -7.450 4.346 2.271 1.00 0.00 C ATOM 437 CE1 HIS A 30 -6.265 5.638 3.588 1.00 0.00 C ATOM 438 NE2 HIS A 30 -6.631 4.387 3.373 1.00 0.00 N ATOM 0 H HIS A 30 -10.276 6.565 2.127 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.146 8.171 1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.162 5.492 0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.688 6.196 -0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.710 7.411 2.587 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.909 3.465 1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.621 5.980 4.385 1.00 0.00 H new ATOM 446 N ALA A 31 -10.383 7.850 -0.999 1.00 0.00 N ATOM 447 CA ALA A 31 -10.827 8.411 -2.269 1.00 0.00 C ATOM 448 C ALA A 31 -10.649 9.925 -2.292 1.00 0.00 C ATOM 449 O ALA A 31 -10.216 10.493 -3.295 1.00 0.00 O ATOM 450 CB ALA A 31 -12.280 8.044 -2.529 1.00 0.00 C ATOM 0 H ALA A 31 -11.013 7.153 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.210 7.987 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.598 8.470 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.380 6.959 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.904 8.440 -1.728 1.00 0.00 H new ATOM 456 N GLU A 32 -10.988 10.574 -1.182 1.00 0.00 N ATOM 457 CA GLU A 32 -10.866 12.023 -1.078 1.00 0.00 C ATOM 458 C GLU A 32 -9.415 12.432 -0.841 1.00 0.00 C ATOM 459 O GLU A 32 -8.936 13.418 -1.402 1.00 0.00 O ATOM 460 CB GLU A 32 -11.748 12.550 0.056 1.00 0.00 C ATOM 461 CG GLU A 32 -13.213 12.685 -0.324 1.00 0.00 C ATOM 462 CD GLU A 32 -13.435 13.674 -1.451 1.00 0.00 C ATOM 463 OE1 GLU A 32 -13.152 14.874 -1.253 1.00 0.00 O ATOM 464 OE2 GLU A 32 -13.891 13.247 -2.533 1.00 0.00 O ATOM 0 H GLU A 32 -11.349 10.119 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.198 12.459 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.664 11.880 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.373 13.523 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.599 11.710 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.783 13.001 0.549 1.00 0.00 H new ATOM 471 N THR A 33 -8.720 11.668 -0.004 1.00 0.00 N ATOM 472 CA THR A 33 -7.325 11.950 0.310 1.00 0.00 C ATOM 473 C THR A 33 -6.462 11.916 -0.946 1.00 0.00 C ATOM 474 O THR A 33 -5.376 12.496 -0.981 1.00 0.00 O ATOM 475 CB THR A 33 -6.765 10.944 1.332 1.00 0.00 C ATOM 476 OG1 THR A 33 -7.539 10.986 2.536 1.00 0.00 O ATOM 477 CG2 THR A 33 -5.308 11.249 1.649 1.00 0.00 C ATOM 0 H THR A 33 -9.101 10.848 0.469 1.00 0.00 H new ATOM 0 HA THR A 33 -7.294 12.950 0.742 1.00 0.00 H new ATOM 0 HB THR A 33 -6.825 9.946 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.177 10.342 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.934 10.525 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.716 11.187 0.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.229 12.253 2.066 1.00 0.00 H new ATOM 485 N VAL A 34 -6.951 11.233 -1.976 1.00 0.00 N ATOM 486 CA VAL A 34 -6.224 11.125 -3.236 1.00 0.00 C ATOM 487 C VAL A 34 -5.508 12.429 -3.571 1.00 0.00 C ATOM 488 O VAL A 34 -4.469 12.426 -4.230 1.00 0.00 O ATOM 489 CB VAL A 34 -7.166 10.756 -4.397 1.00 0.00 C ATOM 490 CG1 VAL A 34 -7.823 9.408 -4.144 1.00 0.00 C ATOM 491 CG2 VAL A 34 -8.213 11.840 -4.598 1.00 0.00 C ATOM 0 H VAL A 34 -7.847 10.746 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.487 10.332 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.576 10.679 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.485 9.164 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.055 8.640 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.401 9.452 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.870 11.563 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.801 11.951 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.720 12.784 -4.829 1.00 0.00 H new ATOM 501 N ALA A 35 -6.071 13.542 -3.111 1.00 0.00 N ATOM 502 CA ALA A 35 -5.485 14.853 -3.360 1.00 0.00 C ATOM 503 C ALA A 35 -4.076 14.943 -2.784 1.00 0.00 C ATOM 504 O ALA A 35 -3.112 15.177 -3.511 1.00 0.00 O ATOM 505 CB ALA A 35 -6.368 15.945 -2.774 1.00 0.00 C ATOM 0 H ALA A 35 -6.932 13.561 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.418 14.995 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.919 16.919 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.354 15.902 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.465 15.797 -1.698 1.00 0.00 H new ATOM 511 N ALA A 36 -3.965 14.757 -1.472 1.00 0.00 N ATOM 512 CA ALA A 36 -2.674 14.816 -0.799 1.00 0.00 C ATOM 513 C ALA A 36 -1.573 14.222 -1.671 1.00 0.00 C ATOM 514 O ALA A 36 -0.622 14.911 -2.043 1.00 0.00 O ATOM 515 CB ALA A 36 -2.742 14.090 0.537 1.00 0.00 C ATOM 0 H ALA A 36 -4.754 14.564 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.433 15.864 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.771 14.142 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.495 14.561 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.009 13.046 0.371 1.00 0.00 H new ATOM 521 N LEU A 37 -1.706 12.940 -1.992 1.00 0.00 N ATOM 522 CA LEU A 37 -0.721 12.252 -2.820 1.00 0.00 C ATOM 523 C LEU A 37 -0.467 13.019 -4.114 1.00 0.00 C ATOM 524 O LEU A 37 -1.389 13.265 -4.893 1.00 0.00 O ATOM 525 CB LEU A 37 -1.195 10.833 -3.139 1.00 0.00 C ATOM 526 CG LEU A 37 -1.854 10.071 -1.989 1.00 0.00 C ATOM 527 CD1 LEU A 37 -1.221 10.458 -0.661 1.00 0.00 C ATOM 528 CD2 LEU A 37 -3.352 10.334 -1.964 1.00 0.00 C ATOM 0 H LEU A 37 -2.486 12.356 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 37 0.213 12.199 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.903 10.885 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.339 10.255 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.695 9.004 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.703 9.906 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.158 10.218 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.348 11.528 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.804 9.784 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.532 11.401 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.795 10.006 -2.905 1.00 0.00 H new ATOM 540 N ARG A 38 0.789 13.392 -4.338 1.00 0.00 N ATOM 541 CA ARG A 38 1.164 14.130 -5.538 1.00 0.00 C ATOM 542 C ARG A 38 2.156 13.332 -6.379 1.00 0.00 C ATOM 543 O ARG A 38 2.260 13.529 -7.590 1.00 0.00 O ATOM 544 CB ARG A 38 1.770 15.483 -5.162 1.00 0.00 C ATOM 545 CG ARG A 38 3.033 15.373 -4.322 1.00 0.00 C ATOM 546 CD ARG A 38 2.721 15.452 -2.836 1.00 0.00 C ATOM 547 NE ARG A 38 1.896 16.612 -2.511 1.00 0.00 N ATOM 548 CZ ARG A 38 2.389 17.823 -2.277 1.00 0.00 C ATOM 549 NH1 ARG A 38 3.697 18.032 -2.334 1.00 0.00 N ATOM 550 NH2 ARG A 38 1.574 18.829 -1.988 1.00 0.00 N ATOM 0 H ARG A 38 1.564 13.195 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 38 0.263 14.295 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.997 16.036 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.028 16.064 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.536 14.431 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.723 16.172 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.207 14.543 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.653 15.500 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 38 0.885 16.485 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.327 17.262 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.073 18.963 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.567 18.673 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.954 19.758 -1.809 1.00 0.00 H new ATOM 564 N PHE A 39 2.884 12.430 -5.728 1.00 0.00 N ATOM 565 CA PHE A 39 3.869 11.603 -6.415 1.00 0.00 C ATOM 566 C PHE A 39 3.303 10.218 -6.714 1.00 0.00 C ATOM 567 O PHE A 39 3.222 9.352 -5.843 1.00 0.00 O ATOM 568 CB PHE A 39 5.138 11.477 -5.570 1.00 0.00 C ATOM 569 CG PHE A 39 5.718 12.799 -5.157 1.00 0.00 C ATOM 570 CD1 PHE A 39 6.553 13.502 -6.010 1.00 0.00 C ATOM 571 CD2 PHE A 39 5.427 13.340 -3.914 1.00 0.00 C ATOM 572 CE1 PHE A 39 7.088 14.719 -5.632 1.00 0.00 C ATOM 573 CE2 PHE A 39 5.958 14.557 -3.532 1.00 0.00 C ATOM 574 CZ PHE A 39 6.790 15.247 -4.391 1.00 0.00 C ATOM 0 H PHE A 39 2.810 12.254 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 39 4.117 12.086 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.914 10.893 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.887 10.921 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.789 13.094 -6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.778 12.804 -3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.738 15.256 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.722 14.968 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.207 16.198 -4.093 1.00 0.00 H new ATOM 584 N PRO A 40 2.901 10.003 -7.975 1.00 0.00 N ATOM 585 CA PRO A 40 2.336 8.725 -8.419 1.00 0.00 C ATOM 586 C PRO A 40 3.377 7.612 -8.457 1.00 0.00 C ATOM 587 O PRO A 40 4.575 7.863 -8.316 1.00 0.00 O ATOM 588 CB PRO A 40 1.829 9.032 -9.830 1.00 0.00 C ATOM 589 CG PRO A 40 2.666 10.175 -10.293 1.00 0.00 C ATOM 590 CD PRO A 40 2.968 10.990 -9.066 1.00 0.00 C ATOM 0 HA PRO A 40 1.561 8.365 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.939 8.169 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.771 9.294 -9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.584 9.822 -10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.136 10.771 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.951 11.457 -9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.243 11.792 -8.928 1.00 0.00 H new ATOM 598 N CYS A 41 2.915 6.381 -8.650 1.00 0.00 N ATOM 599 CA CYS A 41 3.806 5.229 -8.707 1.00 0.00 C ATOM 600 C CYS A 41 3.985 4.751 -10.145 1.00 0.00 C ATOM 601 O CYS A 41 3.056 4.218 -10.752 1.00 0.00 O ATOM 602 CB CYS A 41 3.258 4.091 -7.844 1.00 0.00 C ATOM 603 SG CYS A 41 4.409 2.695 -7.636 1.00 0.00 S ATOM 0 H CYS A 41 1.927 6.156 -8.770 1.00 0.00 H new ATOM 0 HA CYS A 41 4.778 5.533 -8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.001 4.486 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.334 3.723 -8.291 1.00 0.00 H new ATOM 608 N GLU A 42 5.185 4.945 -10.682 1.00 0.00 N ATOM 609 CA GLU A 42 5.485 4.534 -12.049 1.00 0.00 C ATOM 610 C GLU A 42 5.541 3.013 -12.159 1.00 0.00 C ATOM 611 O GLU A 42 5.825 2.467 -13.226 1.00 0.00 O ATOM 612 CB GLU A 42 6.814 5.139 -12.507 1.00 0.00 C ATOM 613 CG GLU A 42 8.020 4.593 -11.762 1.00 0.00 C ATOM 614 CD GLU A 42 9.321 4.827 -12.506 1.00 0.00 C ATOM 615 OE1 GLU A 42 9.676 6.004 -12.725 1.00 0.00 O ATOM 616 OE2 GLU A 42 9.983 3.832 -12.868 1.00 0.00 O ATOM 0 H GLU A 42 5.965 5.384 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 42 4.686 4.899 -12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.941 4.951 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.776 6.220 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.078 5.062 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.887 3.524 -11.598 1.00 0.00 H new ATOM 623 N PHE A 43 5.268 2.335 -11.050 1.00 0.00 N ATOM 624 CA PHE A 43 5.289 0.877 -11.021 1.00 0.00 C ATOM 625 C PHE A 43 3.880 0.310 -11.172 1.00 0.00 C ATOM 626 O PHE A 43 3.626 -0.532 -12.034 1.00 0.00 O ATOM 627 CB PHE A 43 5.913 0.380 -9.715 1.00 0.00 C ATOM 628 CG PHE A 43 7.370 0.040 -9.839 1.00 0.00 C ATOM 629 CD1 PHE A 43 7.775 -1.093 -10.527 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.336 0.852 -9.266 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.115 -1.409 -10.643 1.00 0.00 C ATOM 632 CE2 PHE A 43 9.678 0.541 -9.380 1.00 0.00 C ATOM 633 CZ PHE A 43 10.068 -0.592 -10.068 1.00 0.00 C ATOM 0 H PHE A 43 5.030 2.771 -10.159 1.00 0.00 H new ATOM 0 HA PHE A 43 5.894 0.531 -11.859 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.791 1.145 -8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.370 -0.502 -9.375 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.034 -1.737 -10.978 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.037 1.737 -8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.417 -2.294 -11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.421 1.183 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.116 -0.838 -10.156 1.00 0.00 H new ATOM 643 N CYS A 44 2.967 0.778 -10.327 1.00 0.00 N ATOM 644 CA CYS A 44 1.584 0.318 -10.364 1.00 0.00 C ATOM 645 C CYS A 44 0.636 1.471 -10.686 1.00 0.00 C ATOM 646 O CYS A 44 -0.427 1.270 -11.272 1.00 0.00 O ATOM 647 CB CYS A 44 1.199 -0.315 -9.026 1.00 0.00 C ATOM 648 SG CYS A 44 1.286 0.828 -7.610 1.00 0.00 S ATOM 0 H CYS A 44 3.160 1.476 -9.608 1.00 0.00 H new ATOM 0 HA CYS A 44 1.497 -0.431 -11.151 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.185 -0.708 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.856 -1.163 -8.835 1.00 0.00 H new ATOM 653 N GLY A 45 1.031 2.680 -10.297 1.00 0.00 N ATOM 654 CA GLY A 45 0.206 3.846 -10.552 1.00 0.00 C ATOM 655 C GLY A 45 -0.272 4.509 -9.275 1.00 0.00 C ATOM 656 O GLY A 45 -0.921 5.554 -9.314 1.00 0.00 O ATOM 0 H GLY A 45 1.907 2.872 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.773 4.566 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.657 3.553 -11.150 1.00 0.00 H new ATOM 660 N LYS A 46 0.047 3.898 -8.139 1.00 0.00 N ATOM 661 CA LYS A 46 -0.354 4.434 -6.843 1.00 0.00 C ATOM 662 C LYS A 46 0.054 5.898 -6.710 1.00 0.00 C ATOM 663 O LYS A 46 0.621 6.480 -7.634 1.00 0.00 O ATOM 664 CB LYS A 46 0.272 3.614 -5.713 1.00 0.00 C ATOM 665 CG LYS A 46 -0.563 2.416 -5.296 1.00 0.00 C ATOM 666 CD LYS A 46 0.109 1.627 -4.185 1.00 0.00 C ATOM 667 CE LYS A 46 -0.365 2.082 -2.813 1.00 0.00 C ATOM 668 NZ LYS A 46 0.449 3.215 -2.293 1.00 0.00 N ATOM 0 H LYS A 46 0.582 3.031 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.440 4.370 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.256 3.268 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.423 4.260 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.544 2.754 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.726 1.767 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.104 0.565 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.190 1.746 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.411 2.383 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.312 1.246 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.660 3.058 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.339 3.277 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.083 4.102 -2.401 1.00 0.00 H new ATOM 682 N ARG A 47 -0.238 6.486 -5.554 1.00 0.00 N ATOM 683 CA ARG A 47 0.099 7.881 -5.301 1.00 0.00 C ATOM 684 C ARG A 47 0.427 8.102 -3.827 1.00 0.00 C ATOM 685 O ARG A 47 -0.240 7.562 -2.944 1.00 0.00 O ATOM 686 CB ARG A 47 -1.058 8.791 -5.719 1.00 0.00 C ATOM 687 CG ARG A 47 -1.403 8.698 -7.196 1.00 0.00 C ATOM 688 CD ARG A 47 -2.730 9.375 -7.502 1.00 0.00 C ATOM 689 NE ARG A 47 -2.945 9.534 -8.937 1.00 0.00 N ATOM 690 CZ ARG A 47 -2.952 10.710 -9.554 1.00 0.00 C ATOM 691 NH1 ARG A 47 -2.756 11.825 -8.863 1.00 0.00 N ATOM 692 NH2 ARG A 47 -3.154 10.773 -10.864 1.00 0.00 N ATOM 0 H ARG A 47 -0.707 6.018 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 47 0.980 8.129 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.940 8.536 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.803 9.823 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.612 9.162 -7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.450 7.651 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.543 8.787 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.758 10.353 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.098 8.695 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.600 11.780 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.762 12.727 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.304 9.917 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.159 11.677 -11.336 1.00 0.00 H new ATOM 706 N PHE A 48 1.458 8.899 -3.568 1.00 0.00 N ATOM 707 CA PHE A 48 1.875 9.191 -2.202 1.00 0.00 C ATOM 708 C PHE A 48 2.020 10.694 -1.986 1.00 0.00 C ATOM 709 O PHE A 48 2.141 11.460 -2.942 1.00 0.00 O ATOM 710 CB PHE A 48 3.200 8.490 -1.891 1.00 0.00 C ATOM 711 CG PHE A 48 3.139 6.997 -2.046 1.00 0.00 C ATOM 712 CD1 PHE A 48 2.840 6.427 -3.273 1.00 0.00 C ATOM 713 CD2 PHE A 48 3.382 6.164 -0.966 1.00 0.00 C ATOM 714 CE1 PHE A 48 2.782 5.054 -3.419 1.00 0.00 C ATOM 715 CE2 PHE A 48 3.327 4.790 -1.106 1.00 0.00 C ATOM 716 CZ PHE A 48 3.027 4.234 -2.334 1.00 0.00 C ATOM 0 H PHE A 48 2.020 9.354 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 48 1.105 8.818 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.974 8.884 -2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.498 8.729 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.650 7.063 -4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.617 6.593 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.545 4.622 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.518 4.152 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.984 3.161 -2.446 1.00 0.00 H new ATOM 726 N GLU A 49 2.005 11.109 -0.723 1.00 0.00 N ATOM 727 CA GLU A 49 2.133 12.521 -0.382 1.00 0.00 C ATOM 728 C GLU A 49 3.570 12.998 -0.570 1.00 0.00 C ATOM 729 O GLU A 49 3.847 14.198 -0.546 1.00 0.00 O ATOM 730 CB GLU A 49 1.689 12.762 1.062 1.00 0.00 C ATOM 731 CG GLU A 49 2.115 11.663 2.021 1.00 0.00 C ATOM 732 CD GLU A 49 2.353 12.177 3.428 1.00 0.00 C ATOM 733 OE1 GLU A 49 3.140 13.134 3.584 1.00 0.00 O ATOM 734 OE2 GLU A 49 1.754 11.622 4.372 1.00 0.00 O ATOM 0 H GLU A 49 1.906 10.488 0.080 1.00 0.00 H new ATOM 0 HA GLU A 49 1.489 13.090 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.099 13.712 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.603 12.855 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.347 10.890 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.027 11.195 1.650 1.00 0.00 H new ATOM 741 N LYS A 50 4.482 12.050 -0.756 1.00 0.00 N ATOM 742 CA LYS A 50 5.892 12.371 -0.949 1.00 0.00 C ATOM 743 C LYS A 50 6.616 11.234 -1.663 1.00 0.00 C ATOM 744 O LYS A 50 6.137 10.102 -1.723 1.00 0.00 O ATOM 745 CB LYS A 50 6.561 12.650 0.398 1.00 0.00 C ATOM 746 CG LYS A 50 5.931 11.898 1.558 1.00 0.00 C ATOM 747 CD LYS A 50 6.733 12.072 2.837 1.00 0.00 C ATOM 748 CE LYS A 50 6.599 13.483 3.391 1.00 0.00 C ATOM 749 NZ LYS A 50 6.785 13.518 4.868 1.00 0.00 N ATOM 0 H LYS A 50 4.270 11.052 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 50 5.954 13.264 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.616 12.382 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.516 13.720 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.913 12.255 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.863 10.838 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.392 11.353 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.783 11.855 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.336 14.131 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.616 13.880 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.686 14.496 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.066 12.920 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.733 13.163 5.107 1.00 0.00 H new ATOM 763 N PRO A 51 7.799 11.540 -2.217 1.00 0.00 N ATOM 764 CA PRO A 51 8.615 10.557 -2.935 1.00 0.00 C ATOM 765 C PRO A 51 9.211 9.508 -2.003 1.00 0.00 C ATOM 766 O PRO A 51 9.260 8.323 -2.335 1.00 0.00 O ATOM 767 CB PRO A 51 9.722 11.406 -3.563 1.00 0.00 C ATOM 768 CG PRO A 51 9.823 12.606 -2.686 1.00 0.00 C ATOM 769 CD PRO A 51 8.431 12.870 -2.184 1.00 0.00 C ATOM 0 HA PRO A 51 8.029 9.992 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.666 10.862 -3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.475 11.684 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.509 12.428 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.207 13.463 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.439 13.286 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.903 13.582 -2.819 1.00 0.00 H new ATOM 777 N ASP A 52 9.664 9.950 -0.835 1.00 0.00 N ATOM 778 CA ASP A 52 10.256 9.048 0.147 1.00 0.00 C ATOM 779 C ASP A 52 9.374 7.823 0.361 1.00 0.00 C ATOM 780 O ASP A 52 9.871 6.711 0.540 1.00 0.00 O ATOM 781 CB ASP A 52 10.472 9.776 1.475 1.00 0.00 C ATOM 782 CG ASP A 52 10.533 8.824 2.653 1.00 0.00 C ATOM 783 OD1 ASP A 52 11.365 7.893 2.621 1.00 0.00 O ATOM 784 OD2 ASP A 52 9.750 9.011 3.607 1.00 0.00 O ATOM 0 H ASP A 52 9.633 10.927 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 52 11.221 8.715 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.398 10.349 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.664 10.490 1.630 1.00 0.00 H new ATOM 789 N SER A 53 8.062 8.034 0.343 1.00 0.00 N ATOM 790 CA SER A 53 7.109 6.948 0.541 1.00 0.00 C ATOM 791 C SER A 53 6.935 6.139 -0.741 1.00 0.00 C ATOM 792 O SER A 53 6.648 4.942 -0.700 1.00 0.00 O ATOM 793 CB SER A 53 5.758 7.502 0.996 1.00 0.00 C ATOM 794 OG SER A 53 5.027 6.530 1.723 1.00 0.00 O ATOM 0 H SER A 53 7.634 8.948 0.193 1.00 0.00 H new ATOM 0 HA SER A 53 7.502 6.289 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.914 8.384 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.181 7.821 0.128 1.00 0.00 H new ATOM 0 HG SER A 53 4.168 6.909 2.004 1.00 0.00 H new ATOM 800 N VAL A 54 7.109 6.802 -1.880 1.00 0.00 N ATOM 801 CA VAL A 54 6.973 6.146 -3.175 1.00 0.00 C ATOM 802 C VAL A 54 8.151 5.218 -3.448 1.00 0.00 C ATOM 803 O VAL A 54 7.990 4.152 -4.042 1.00 0.00 O ATOM 804 CB VAL A 54 6.867 7.174 -4.317 1.00 0.00 C ATOM 805 CG1 VAL A 54 7.510 6.633 -5.584 1.00 0.00 C ATOM 806 CG2 VAL A 54 5.413 7.547 -4.564 1.00 0.00 C ATOM 0 H VAL A 54 7.344 7.793 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 54 6.055 5.560 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 54 7.405 8.075 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.425 7.373 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.563 6.421 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.004 5.716 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.356 8.274 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.850 6.655 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.989 7.980 -3.658 1.00 0.00 H new ATOM 816 N ALA A 55 9.336 5.631 -3.011 1.00 0.00 N ATOM 817 CA ALA A 55 10.542 4.836 -3.206 1.00 0.00 C ATOM 818 C ALA A 55 10.536 3.601 -2.312 1.00 0.00 C ATOM 819 O ALA A 55 10.987 2.529 -2.715 1.00 0.00 O ATOM 820 CB ALA A 55 11.780 5.680 -2.937 1.00 0.00 C ATOM 0 H ALA A 55 9.487 6.512 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 55 10.563 4.501 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 55 12.673 5.074 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.798 6.528 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.756 6.044 -1.910 1.00 0.00 H new ATOM 826 N ALA A 56 10.023 3.759 -1.096 1.00 0.00 N ATOM 827 CA ALA A 56 9.958 2.656 -0.146 1.00 0.00 C ATOM 828 C ALA A 56 8.861 1.668 -0.526 1.00 0.00 C ATOM 829 O ALA A 56 9.029 0.455 -0.390 1.00 0.00 O ATOM 830 CB ALA A 56 9.729 3.186 1.262 1.00 0.00 C ATOM 0 H ALA A 56 9.647 4.640 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 56 10.911 2.128 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.682 2.352 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.550 3.847 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.790 3.739 1.294 1.00 0.00 H new ATOM 836 N HIS A 57 7.737 2.193 -1.003 1.00 0.00 N ATOM 837 CA HIS A 57 6.611 1.356 -1.404 1.00 0.00 C ATOM 838 C HIS A 57 7.043 0.326 -2.443 1.00 0.00 C ATOM 839 O HIS A 57 6.555 -0.805 -2.450 1.00 0.00 O ATOM 840 CB HIS A 57 5.480 2.219 -1.964 1.00 0.00 C ATOM 841 CG HIS A 57 4.645 1.519 -2.990 1.00 0.00 C ATOM 842 ND1 HIS A 57 3.872 0.413 -2.705 1.00 0.00 N ATOM 843 CD2 HIS A 57 4.462 1.774 -4.307 1.00 0.00 C ATOM 844 CE1 HIS A 57 3.252 0.017 -3.802 1.00 0.00 C ATOM 845 NE2 HIS A 57 3.592 0.827 -4.788 1.00 0.00 N ATOM 0 H HIS A 57 7.581 3.194 -1.121 1.00 0.00 H new ATOM 0 HA HIS A 57 6.251 0.827 -0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.839 2.540 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.906 3.119 -2.407 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.792 -0.030 -1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.916 2.574 -4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.581 -0.826 -3.879 1.00 0.00 H new ATOM 853 N ARG A 58 7.960 0.724 -3.319 1.00 0.00 N ATOM 854 CA ARG A 58 8.456 -0.164 -4.363 1.00 0.00 C ATOM 855 C ARG A 58 9.268 -1.308 -3.763 1.00 0.00 C ATOM 856 O ARG A 58 9.424 -2.362 -4.380 1.00 0.00 O ATOM 857 CB ARG A 58 9.313 0.616 -5.361 1.00 0.00 C ATOM 858 CG ARG A 58 8.605 1.818 -5.964 1.00 0.00 C ATOM 859 CD ARG A 58 9.596 2.827 -6.521 1.00 0.00 C ATOM 860 NE ARG A 58 8.938 4.054 -6.964 1.00 0.00 N ATOM 861 CZ ARG A 58 9.424 4.848 -7.911 1.00 0.00 C ATOM 862 NH1 ARG A 58 10.567 4.546 -8.512 1.00 0.00 N ATOM 863 NH2 ARG A 58 8.767 5.947 -8.258 1.00 0.00 N ATOM 0 H ARG A 58 8.374 1.656 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 58 7.597 -0.586 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.221 0.953 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.621 -0.054 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.936 1.487 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.986 2.296 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.336 3.068 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.135 2.382 -7.358 1.00 0.00 H new ATOM 0 HE ARG A 58 8.057 4.315 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.075 3.702 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.938 5.158 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.888 6.183 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.141 6.556 -8.985 1.00 0.00 H new ATOM 877 N SER A 59 9.783 -1.093 -2.557 1.00 0.00 N ATOM 878 CA SER A 59 10.583 -2.104 -1.876 1.00 0.00 C ATOM 879 C SER A 59 9.712 -2.962 -0.964 1.00 0.00 C ATOM 880 O SER A 59 10.182 -3.932 -0.368 1.00 0.00 O ATOM 881 CB SER A 59 11.695 -1.441 -1.061 1.00 0.00 C ATOM 882 OG SER A 59 12.555 -0.682 -1.894 1.00 0.00 O ATOM 0 H SER A 59 9.661 -0.228 -2.031 1.00 0.00 H new ATOM 0 HA SER A 59 11.031 -2.748 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.257 -0.795 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.271 -2.204 -0.538 1.00 0.00 H new ATOM 0 HG SER A 59 13.256 -0.267 -1.349 1.00 0.00 H new ATOM 888 N LYS A 60 8.438 -2.599 -0.861 1.00 0.00 N ATOM 889 CA LYS A 60 7.498 -3.335 -0.023 1.00 0.00 C ATOM 890 C LYS A 60 6.369 -3.926 -0.862 1.00 0.00 C ATOM 891 O LYS A 60 5.747 -4.914 -0.474 1.00 0.00 O ATOM 892 CB LYS A 60 6.919 -2.418 1.056 1.00 0.00 C ATOM 893 CG LYS A 60 7.977 -1.688 1.866 1.00 0.00 C ATOM 894 CD LYS A 60 8.845 -2.656 2.651 1.00 0.00 C ATOM 895 CE LYS A 60 9.327 -2.041 3.956 1.00 0.00 C ATOM 896 NZ LYS A 60 9.890 -3.066 4.878 1.00 0.00 N ATOM 0 H LYS A 60 8.032 -1.799 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 60 8.038 -4.152 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.264 -1.685 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.301 -3.010 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.603 -1.096 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.495 -0.992 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.280 -3.564 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.704 -2.949 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.086 -1.288 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.498 -1.530 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.207 -2.607 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.159 -3.771 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.698 -3.537 4.422 1.00 0.00 H new ATOM 910 N SER A 61 6.112 -3.314 -2.014 1.00 0.00 N ATOM 911 CA SER A 61 5.056 -3.779 -2.906 1.00 0.00 C ATOM 912 C SER A 61 5.633 -4.211 -4.251 1.00 0.00 C ATOM 913 O SER A 61 5.088 -5.089 -4.920 1.00 0.00 O ATOM 914 CB SER A 61 4.015 -2.678 -3.116 1.00 0.00 C ATOM 915 OG SER A 61 2.738 -3.229 -3.388 1.00 0.00 O ATOM 0 H SER A 61 6.620 -2.496 -2.351 1.00 0.00 H new ATOM 0 HA SER A 61 4.575 -4.640 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.962 -2.049 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.321 -2.036 -3.942 1.00 0.00 H new ATOM 0 HG SER A 61 2.043 -2.623 -3.056 1.00 0.00 H new ATOM 921 N HIS A 62 6.740 -3.587 -4.641 1.00 0.00 N ATOM 922 CA HIS A 62 7.393 -3.907 -5.906 1.00 0.00 C ATOM 923 C HIS A 62 8.803 -4.440 -5.670 1.00 0.00 C ATOM 924 O HIS A 62 9.700 -4.279 -6.498 1.00 0.00 O ATOM 925 CB HIS A 62 7.446 -2.670 -6.803 1.00 0.00 C ATOM 926 CG HIS A 62 6.096 -2.163 -7.205 1.00 0.00 C ATOM 927 ND1 HIS A 62 5.242 -2.867 -8.028 1.00 0.00 N ATOM 928 CD2 HIS A 62 5.452 -1.014 -6.892 1.00 0.00 C ATOM 929 CE1 HIS A 62 4.132 -2.173 -8.205 1.00 0.00 C ATOM 930 NE2 HIS A 62 4.234 -1.045 -7.525 1.00 0.00 N ATOM 0 H HIS A 62 7.204 -2.857 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 62 6.809 -4.682 -6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.983 -1.877 -6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.018 -2.906 -7.700 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.437 -3.781 -8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.827 -0.221 -6.262 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.286 -2.476 -8.803 1.00 0.00 H new ATOM 938 N PRO A 63 9.005 -5.090 -4.514 1.00 0.00 N ATOM 939 CA PRO A 63 10.303 -5.660 -4.143 1.00 0.00 C ATOM 940 C PRO A 63 10.673 -6.866 -4.999 1.00 0.00 C ATOM 941 O PRO A 63 11.786 -7.385 -4.909 1.00 0.00 O ATOM 942 CB PRO A 63 10.102 -6.080 -2.685 1.00 0.00 C ATOM 943 CG PRO A 63 8.636 -6.306 -2.554 1.00 0.00 C ATOM 944 CD PRO A 63 7.981 -5.319 -3.481 1.00 0.00 C ATOM 0 HA PRO A 63 11.117 -4.949 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.664 -6.984 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.446 -5.306 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.373 -7.329 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.308 -6.153 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.061 -5.718 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.718 -4.396 -2.964 1.00 0.00 H new ATOM 952 N ALA A 64 9.734 -7.307 -5.829 1.00 0.00 N ATOM 953 CA ALA A 64 9.962 -8.451 -6.703 1.00 0.00 C ATOM 954 C ALA A 64 10.361 -8.000 -8.104 1.00 0.00 C ATOM 955 O ALA A 64 10.934 -8.770 -8.876 1.00 0.00 O ATOM 956 CB ALA A 64 8.720 -9.327 -6.762 1.00 0.00 C ATOM 0 H ALA A 64 8.807 -6.889 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 64 10.784 -9.034 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.905 -10.177 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.481 -9.687 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.883 -8.746 -7.149 1.00 0.00 H new ATOM 962 N LEU A 65 10.053 -6.749 -8.428 1.00 0.00 N ATOM 963 CA LEU A 65 10.379 -6.195 -9.738 1.00 0.00 C ATOM 964 C LEU A 65 11.781 -5.595 -9.742 1.00 0.00 C ATOM 965 O LEU A 65 12.557 -5.809 -10.674 1.00 0.00 O ATOM 966 CB LEU A 65 9.354 -5.130 -10.132 1.00 0.00 C ATOM 967 CG LEU A 65 7.885 -5.512 -9.951 1.00 0.00 C ATOM 968 CD1 LEU A 65 7.539 -5.622 -8.474 1.00 0.00 C ATOM 969 CD2 LEU A 65 6.981 -4.499 -10.638 1.00 0.00 C ATOM 0 H LEU A 65 9.578 -6.099 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 65 10.349 -7.006 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.550 -4.232 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.515 -4.870 -11.178 1.00 0.00 H new ATOM 0 HG LEU A 65 7.724 -6.486 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.489 -5.895 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.162 -6.387 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.717 -4.664 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.939 -4.788 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.145 -3.512 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.210 -4.471 -11.703 1.00 0.00 H new ATOM 981 N LEU A 66 12.100 -4.844 -8.694 1.00 0.00 N ATOM 982 CA LEU A 66 13.411 -4.214 -8.575 1.00 0.00 C ATOM 983 C LEU A 66 14.517 -5.174 -9.001 1.00 0.00 C ATOM 984 O LEU A 66 15.426 -4.800 -9.743 1.00 0.00 O ATOM 985 CB LEU A 66 13.647 -3.751 -7.137 1.00 0.00 C ATOM 986 CG LEU A 66 12.591 -2.813 -6.551 1.00 0.00 C ATOM 987 CD1 LEU A 66 12.636 -2.841 -5.031 1.00 0.00 C ATOM 988 CD2 LEU A 66 12.793 -1.395 -7.066 1.00 0.00 C ATOM 0 H LEU A 66 11.470 -4.656 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 66 13.433 -3.348 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.715 -4.632 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.614 -3.250 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 66 11.608 -3.159 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.878 -2.167 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.442 -3.855 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.621 -2.521 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.033 -0.741 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.782 -1.040 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.709 -1.387 -8.153 1.00 0.00 H new ATOM 1000 N LEU A 67 14.433 -6.412 -8.528 1.00 0.00 N ATOM 1001 CA LEU A 67 15.426 -7.428 -8.861 1.00 0.00 C ATOM 1002 C LEU A 67 15.524 -7.618 -10.371 1.00 0.00 C ATOM 1003 O LEU A 67 14.794 -6.987 -11.135 1.00 0.00 O ATOM 1004 CB LEU A 67 15.071 -8.756 -8.190 1.00 0.00 C ATOM 1005 CG LEU A 67 15.611 -8.957 -6.774 1.00 0.00 C ATOM 1006 CD1 LEU A 67 15.021 -7.925 -5.825 1.00 0.00 C ATOM 1007 CD2 LEU A 67 15.312 -10.367 -6.285 1.00 0.00 C ATOM 0 H LEU A 67 13.687 -6.737 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 67 16.394 -7.090 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.985 -8.846 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 67 15.441 -9.567 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 67 16.692 -8.823 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.417 -8.084 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.286 -6.924 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 67 13.936 -8.026 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.703 -10.493 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.234 -10.529 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.784 -11.090 -6.950 1.00 0.00 H new ATOM 1019 N ALA A 68 16.429 -8.494 -10.794 1.00 0.00 N ATOM 1020 CA ALA A 68 16.619 -8.771 -12.213 1.00 0.00 C ATOM 1021 C ALA A 68 15.694 -9.888 -12.683 1.00 0.00 C ATOM 1022 O ALA A 68 15.867 -11.057 -12.338 1.00 0.00 O ATOM 1023 CB ALA A 68 18.071 -9.134 -12.489 1.00 0.00 C ATOM 0 H ALA A 68 17.042 -9.024 -10.175 1.00 0.00 H new ATOM 0 HA ALA A 68 16.368 -7.869 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.199 -9.338 -13.552 1.00 0.00 H new ATOM 0 HB2 ALA A 68 18.715 -8.304 -12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.340 -10.020 -11.914 1.00 0.00 H new ATOM 1029 N PRO A 69 14.687 -9.523 -13.490 1.00 0.00 N ATOM 1030 CA PRO A 69 13.714 -10.480 -14.024 1.00 0.00 C ATOM 1031 C PRO A 69 14.330 -11.418 -15.057 1.00 0.00 C ATOM 1032 O PRO A 69 14.642 -11.006 -16.174 1.00 0.00 O ATOM 1033 CB PRO A 69 12.658 -9.585 -14.678 1.00 0.00 C ATOM 1034 CG PRO A 69 13.383 -8.329 -15.016 1.00 0.00 C ATOM 1035 CD PRO A 69 14.420 -8.147 -13.942 1.00 0.00 C ATOM 0 HA PRO A 69 13.317 -11.134 -13.247 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.240 -10.053 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.827 -9.392 -13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.848 -8.399 -15.999 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.700 -7.480 -15.047 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.320 -7.669 -14.329 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.051 -7.521 -13.129 1.00 0.00 H new ATOM 1043 N GLN A 70 14.502 -12.680 -14.675 1.00 0.00 N ATOM 1044 CA GLN A 70 15.082 -13.675 -15.569 1.00 0.00 C ATOM 1045 C GLN A 70 13.998 -14.366 -16.390 1.00 0.00 C ATOM 1046 O GLN A 70 13.075 -14.964 -15.839 1.00 0.00 O ATOM 1047 CB GLN A 70 15.871 -14.713 -14.768 1.00 0.00 C ATOM 1048 CG GLN A 70 15.074 -15.342 -13.637 1.00 0.00 C ATOM 1049 CD GLN A 70 15.784 -16.527 -13.013 1.00 0.00 C ATOM 1050 OE1 GLN A 70 16.558 -17.220 -13.673 1.00 0.00 O ATOM 1051 NE2 GLN A 70 15.523 -16.767 -11.733 1.00 0.00 N ATOM 0 H GLN A 70 14.248 -13.037 -13.754 1.00 0.00 H new ATOM 0 HA GLN A 70 15.759 -13.162 -16.252 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.211 -15.499 -15.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.762 -14.240 -14.355 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.884 -14.591 -12.870 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.104 -15.663 -14.016 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.874 -16.167 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.971 -17.551 -11.260 1.00 0.00 H new ATOM 1060 N GLU A 71 14.118 -14.279 -17.712 1.00 0.00 N ATOM 1061 CA GLU A 71 13.147 -14.895 -18.608 1.00 0.00 C ATOM 1062 C GLU A 71 13.685 -14.955 -20.035 1.00 0.00 C ATOM 1063 O GLU A 71 14.685 -14.314 -20.360 1.00 0.00 O ATOM 1064 CB GLU A 71 11.829 -14.118 -18.581 1.00 0.00 C ATOM 1065 CG GLU A 71 11.975 -12.659 -18.981 1.00 0.00 C ATOM 1066 CD GLU A 71 10.677 -11.886 -18.850 1.00 0.00 C ATOM 1067 OE1 GLU A 71 9.706 -12.232 -19.556 1.00 0.00 O ATOM 1068 OE2 GLU A 71 10.632 -10.936 -18.042 1.00 0.00 O ATOM 0 H GLU A 71 14.877 -13.789 -18.185 1.00 0.00 H new ATOM 0 HA GLU A 71 12.967 -15.913 -18.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.118 -14.601 -19.252 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.406 -14.171 -17.578 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.737 -12.190 -18.359 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.325 -12.602 -20.012 1.00 0.00 H new ATOM 1075 N SER A 72 13.016 -15.730 -20.882 1.00 0.00 N ATOM 1076 CA SER A 72 13.429 -15.878 -22.272 1.00 0.00 C ATOM 1077 C SER A 72 12.537 -15.052 -23.194 1.00 0.00 C ATOM 1078 O SER A 72 11.312 -15.156 -23.148 1.00 0.00 O ATOM 1079 CB SER A 72 13.384 -17.351 -22.686 1.00 0.00 C ATOM 1080 OG SER A 72 14.295 -17.613 -23.739 1.00 0.00 O ATOM 0 H SER A 72 12.185 -16.265 -20.630 1.00 0.00 H new ATOM 0 HA SER A 72 14.452 -15.514 -22.362 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.623 -17.980 -21.829 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.374 -17.613 -23.001 1.00 0.00 H new ATOM 0 HG SER A 72 14.248 -18.561 -23.984 1.00 0.00 H new ATOM 1086 N SER A 73 13.163 -14.231 -24.032 1.00 0.00 N ATOM 1087 CA SER A 73 12.427 -13.383 -24.963 1.00 0.00 C ATOM 1088 C SER A 73 13.198 -13.215 -26.269 1.00 0.00 C ATOM 1089 O SER A 73 14.404 -13.450 -26.326 1.00 0.00 O ATOM 1090 CB SER A 73 12.159 -12.014 -24.336 1.00 0.00 C ATOM 1091 OG SER A 73 13.370 -11.320 -24.090 1.00 0.00 O ATOM 0 H SER A 73 14.177 -14.135 -24.085 1.00 0.00 H new ATOM 0 HA SER A 73 11.475 -13.866 -25.182 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.526 -11.424 -24.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.612 -12.139 -23.402 1.00 0.00 H new ATOM 0 HG SER A 73 13.172 -10.447 -23.691 1.00 0.00 H new ATOM 1097 N GLY A 74 12.491 -12.805 -27.318 1.00 0.00 N ATOM 1098 CA GLY A 74 13.123 -12.612 -28.610 1.00 0.00 C ATOM 1099 C GLY A 74 12.740 -11.294 -29.252 1.00 0.00 C ATOM 1100 O GLY A 74 11.662 -11.150 -29.830 1.00 0.00 O ATOM 0 H GLY A 74 11.491 -12.603 -27.296 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.206 -12.653 -28.491 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.844 -13.430 -29.273 1.00 0.00 H new ATOM 1104 N PRO A 75 13.635 -10.300 -29.153 1.00 0.00 N ATOM 1105 CA PRO A 75 13.407 -8.969 -29.722 1.00 0.00 C ATOM 1106 C PRO A 75 13.438 -8.977 -31.246 1.00 0.00 C ATOM 1107 O PRO A 75 13.680 -10.012 -31.866 1.00 0.00 O ATOM 1108 CB PRO A 75 14.569 -8.142 -29.167 1.00 0.00 C ATOM 1109 CG PRO A 75 15.643 -9.136 -28.890 1.00 0.00 C ATOM 1110 CD PRO A 75 14.940 -10.400 -28.478 1.00 0.00 C ATOM 0 HA PRO A 75 12.424 -8.577 -29.460 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.900 -7.392 -29.885 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.279 -7.610 -28.261 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.259 -9.302 -29.774 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.307 -8.784 -28.101 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.489 -11.287 -28.795 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.829 -10.463 -27.396 1.00 0.00 H new ATOM 1118 N SER A 76 13.192 -7.816 -31.845 1.00 0.00 N ATOM 1119 CA SER A 76 13.189 -7.690 -33.297 1.00 0.00 C ATOM 1120 C SER A 76 14.599 -7.443 -33.824 1.00 0.00 C ATOM 1121 O SER A 76 15.125 -8.229 -34.613 1.00 0.00 O ATOM 1122 CB SER A 76 12.264 -6.550 -33.730 1.00 0.00 C ATOM 1123 OG SER A 76 10.914 -6.978 -33.773 1.00 0.00 O ATOM 0 H SER A 76 12.992 -6.949 -31.346 1.00 0.00 H new ATOM 0 HA SER A 76 12.821 -8.626 -33.717 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.362 -5.715 -33.037 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.565 -6.186 -34.712 1.00 0.00 H new ATOM 0 HG SER A 76 10.343 -6.232 -34.051 1.00 0.00 H new ATOM 1129 N SER A 77 15.206 -6.346 -33.383 1.00 0.00 N ATOM 1130 CA SER A 77 16.554 -5.993 -33.812 1.00 0.00 C ATOM 1131 C SER A 77 17.288 -5.224 -32.718 1.00 0.00 C ATOM 1132 O SER A 77 16.670 -4.681 -31.803 1.00 0.00 O ATOM 1133 CB SER A 77 16.501 -5.156 -35.092 1.00 0.00 C ATOM 1134 OG SER A 77 17.705 -5.275 -35.829 1.00 0.00 O ATOM 0 H SER A 77 14.785 -5.686 -32.729 1.00 0.00 H new ATOM 0 HA SER A 77 17.099 -6.916 -34.012 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.661 -5.479 -35.707 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.327 -4.110 -34.839 1.00 0.00 H new ATOM 0 HG SER A 77 17.645 -4.732 -36.643 1.00 0.00 H new ATOM 1140 N GLY A 78 18.613 -5.183 -32.820 1.00 0.00 N ATOM 1141 CA GLY A 78 19.412 -4.479 -31.833 1.00 0.00 C ATOM 1142 C GLY A 78 19.868 -5.383 -30.705 1.00 0.00 C ATOM 1143 O GLY A 78 20.724 -6.236 -30.930 1.00 0.00 O ATOM 0 H GLY A 78 19.148 -5.625 -33.568 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.284 -4.043 -32.320 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.831 -3.654 -31.421 1.00 0.00 H new TER 1147 GLY A 78 HETATM 1148 ZN ZN A 201 -5.868 2.770 4.378 1.00 0.00 ZN HETATM 1149 ZN ZN A 401 3.464 0.724 -6.832 1.00 0.00 ZN