USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot -150:sc= -0.188 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.186 X(o=-0.37,f=-0.37) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0577 (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 21:sc= 1.04 USER MOD Single : A 6 SER OG : rot 29:sc= 0.769 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00452) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -7.05! C(o=-7.1!,f=-10!) USER MOD Single : A 24 SER OG : rot -24:sc= -1.32 USER MOD Single : A 26 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.44) USER MOD Single : A 33 THR OG1 : rot 45:sc= 0.875 USER MOD Single : A 34 ASN : amide:sc= -0.945 X(o=-0.95,f=-0.94) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0024 (180deg=-0.0938) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -5! C(o=-5!,f=-10!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 150:sc=-0.00486 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.5) USER MOD Single : A 54 ASN : amide:sc= -0.129 K(o=-0.13,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -86:sc= 1.09 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 121:sc= 0.75 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -0.116 (180deg=-0.516) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.837 29.104 61.565 1.00 0.00 N ATOM 2 CA GLY A 1 -28.287 27.770 61.409 1.00 0.00 C ATOM 3 C GLY A 1 -28.921 27.012 60.260 1.00 0.00 C ATOM 4 O GLY A 1 -29.979 27.396 59.762 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.201 29.796 61.120 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.771 29.150 61.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.933 29.324 62.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.212 27.841 61.244 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.432 27.210 62.333 1.00 0.00 H new ATOM 8 N SER A 2 -28.272 25.932 59.835 1.00 0.00 N ATOM 9 CA SER A 2 -28.776 25.121 58.733 1.00 0.00 C ATOM 10 C SER A 2 -27.963 23.838 58.587 1.00 0.00 C ATOM 11 O SER A 2 -26.786 23.873 58.229 1.00 0.00 O ATOM 12 CB SER A 2 -28.734 25.916 57.426 1.00 0.00 C ATOM 13 OG SER A 2 -28.972 25.076 56.310 1.00 0.00 O ATOM 0 H SER A 2 -27.396 25.599 60.237 1.00 0.00 H new ATOM 0 HA SER A 2 -29.809 24.853 58.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.482 26.708 57.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.762 26.398 57.321 1.00 0.00 H new ATOM 0 HG SER A 2 -28.941 25.608 55.488 1.00 0.00 H new ATOM 19 N SER A 3 -28.601 22.706 58.868 1.00 0.00 N ATOM 20 CA SER A 3 -27.938 21.411 58.772 1.00 0.00 C ATOM 21 C SER A 3 -28.722 20.465 57.868 1.00 0.00 C ATOM 22 O SER A 3 -29.951 20.510 57.820 1.00 0.00 O ATOM 23 CB SER A 3 -27.779 20.792 60.162 1.00 0.00 C ATOM 24 OG SER A 3 -26.848 21.522 60.942 1.00 0.00 O ATOM 0 H SER A 3 -29.576 22.660 59.164 1.00 0.00 H new ATOM 0 HA SER A 3 -26.951 21.567 58.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.745 20.772 60.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.447 19.758 60.067 1.00 0.00 H new ATOM 0 HG SER A 3 -26.766 21.107 61.826 1.00 0.00 H new ATOM 30 N GLY A 4 -28.001 19.608 57.151 1.00 0.00 N ATOM 31 CA GLY A 4 -28.645 18.662 56.258 1.00 0.00 C ATOM 32 C GLY A 4 -27.651 17.759 55.556 1.00 0.00 C ATOM 33 O GLY A 4 -26.444 17.999 55.601 1.00 0.00 O ATOM 0 H GLY A 4 -26.983 19.552 57.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.348 18.052 56.825 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.225 19.207 55.513 1.00 0.00 H new ATOM 37 N SER A 5 -28.158 16.716 54.905 1.00 0.00 N ATOM 38 CA SER A 5 -27.305 15.771 54.195 1.00 0.00 C ATOM 39 C SER A 5 -28.115 14.956 53.191 1.00 0.00 C ATOM 40 O SER A 5 -29.326 14.793 53.341 1.00 0.00 O ATOM 41 CB SER A 5 -26.610 14.834 55.186 1.00 0.00 C ATOM 42 OG SER A 5 -25.492 15.465 55.786 1.00 0.00 O ATOM 0 H SER A 5 -29.155 16.505 54.855 1.00 0.00 H new ATOM 0 HA SER A 5 -26.550 16.339 53.651 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.316 14.527 55.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.288 13.929 54.671 1.00 0.00 H new ATOM 0 HG SER A 5 -25.581 16.437 55.702 1.00 0.00 H new ATOM 48 N SER A 6 -27.438 14.448 52.167 1.00 0.00 N ATOM 49 CA SER A 6 -28.094 13.654 51.135 1.00 0.00 C ATOM 50 C SER A 6 -27.086 12.774 50.403 1.00 0.00 C ATOM 51 O SER A 6 -25.884 12.845 50.656 1.00 0.00 O ATOM 52 CB SER A 6 -28.810 14.567 50.137 1.00 0.00 C ATOM 53 OG SER A 6 -30.094 14.934 50.612 1.00 0.00 O ATOM 0 H SER A 6 -26.435 14.572 52.030 1.00 0.00 H new ATOM 0 HA SER A 6 -28.828 13.010 51.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.213 15.462 49.965 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.905 14.058 49.178 1.00 0.00 H new ATOM 0 HG SER A 6 -30.091 14.940 51.592 1.00 0.00 H new ATOM 59 N GLY A 7 -27.586 11.942 49.494 1.00 0.00 N ATOM 60 CA GLY A 7 -26.716 11.059 48.739 1.00 0.00 C ATOM 61 C GLY A 7 -26.833 9.613 49.180 1.00 0.00 C ATOM 62 O GLY A 7 -27.010 9.330 50.365 1.00 0.00 O ATOM 0 H GLY A 7 -28.577 11.864 49.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.960 11.133 47.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.683 11.388 48.852 1.00 0.00 H new ATOM 66 N LYS A 8 -26.736 8.695 48.225 1.00 0.00 N ATOM 67 CA LYS A 8 -26.832 7.270 48.520 1.00 0.00 C ATOM 68 C LYS A 8 -25.552 6.544 48.119 1.00 0.00 C ATOM 69 O LYS A 8 -25.002 6.784 47.044 1.00 0.00 O ATOM 70 CB LYS A 8 -28.029 6.657 47.790 1.00 0.00 C ATOM 71 CG LYS A 8 -28.634 5.464 48.508 1.00 0.00 C ATOM 72 CD LYS A 8 -29.897 4.978 47.818 1.00 0.00 C ATOM 73 CE LYS A 8 -30.487 3.766 48.522 1.00 0.00 C ATOM 74 NZ LYS A 8 -31.392 4.159 49.638 1.00 0.00 N ATOM 0 H LYS A 8 -26.591 8.912 47.239 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.972 7.155 49.595 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -28.796 7.421 47.663 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.717 6.349 46.792 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.905 4.654 48.547 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.863 5.736 49.538 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -30.633 5.782 47.797 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.672 4.724 46.782 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.039 3.161 47.803 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.681 3.143 48.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -31.774 3.305 50.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.860 4.715 50.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -32.175 4.732 49.264 1.00 0.00 H new ATOM 88 N ILE A 9 -25.085 5.655 48.989 1.00 0.00 N ATOM 89 CA ILE A 9 -23.872 4.892 48.723 1.00 0.00 C ATOM 90 C ILE A 9 -24.196 3.437 48.404 1.00 0.00 C ATOM 91 O ILE A 9 -25.112 2.852 48.983 1.00 0.00 O ATOM 92 CB ILE A 9 -22.903 4.940 49.920 1.00 0.00 C ATOM 93 CG1 ILE A 9 -22.864 6.349 50.515 1.00 0.00 C ATOM 94 CG2 ILE A 9 -21.511 4.501 49.492 1.00 0.00 C ATOM 95 CD1 ILE A 9 -22.254 6.403 51.899 1.00 0.00 C ATOM 0 H ILE A 9 -25.528 5.445 49.884 1.00 0.00 H new ATOM 0 HA ILE A 9 -23.393 5.353 47.859 1.00 0.00 H new ATOM 0 HB ILE A 9 -23.260 4.252 50.686 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -22.296 7.000 49.850 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -23.879 6.745 50.558 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.838 4.540 50.348 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.553 3.481 49.110 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -21.144 5.167 48.711 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -22.259 7.432 52.259 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -22.835 5.779 52.577 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -21.228 6.038 51.859 1.00 0.00 H new ATOM 107 N PHE A 10 -23.437 2.856 47.480 1.00 0.00 N ATOM 108 CA PHE A 10 -23.643 1.468 47.084 1.00 0.00 C ATOM 109 C PHE A 10 -22.519 0.580 47.610 1.00 0.00 C ATOM 110 O PHE A 10 -21.397 0.612 47.104 1.00 0.00 O ATOM 111 CB PHE A 10 -23.725 1.356 45.560 1.00 0.00 C ATOM 112 CG PHE A 10 -24.960 1.983 44.979 1.00 0.00 C ATOM 113 CD1 PHE A 10 -26.200 1.391 45.151 1.00 0.00 C ATOM 114 CD2 PHE A 10 -24.880 3.166 44.262 1.00 0.00 C ATOM 115 CE1 PHE A 10 -27.338 1.965 44.617 1.00 0.00 C ATOM 116 CE2 PHE A 10 -26.015 3.746 43.725 1.00 0.00 C ATOM 117 CZ PHE A 10 -27.245 3.145 43.904 1.00 0.00 C ATOM 0 H PHE A 10 -22.674 3.325 46.992 1.00 0.00 H new ATOM 0 HA PHE A 10 -24.584 1.129 47.517 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -22.846 1.829 45.121 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -23.695 0.303 45.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -26.279 0.470 45.709 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -23.920 3.641 44.121 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -28.299 1.492 44.757 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -25.939 4.667 43.167 1.00 0.00 H new ATOM 0 HZ PHE A 10 -28.133 3.596 43.487 1.00 0.00 H new ATOM 127 N THR A 11 -22.829 -0.214 48.631 1.00 0.00 N ATOM 128 CA THR A 11 -21.846 -1.110 49.228 1.00 0.00 C ATOM 129 C THR A 11 -22.129 -2.561 48.858 1.00 0.00 C ATOM 130 O THR A 11 -23.238 -3.058 49.056 1.00 0.00 O ATOM 131 CB THR A 11 -21.825 -0.978 50.763 1.00 0.00 C ATOM 132 OG1 THR A 11 -21.670 0.396 51.134 1.00 0.00 O ATOM 133 CG2 THR A 11 -20.694 -1.801 51.361 1.00 0.00 C ATOM 0 H THR A 11 -23.753 -0.255 49.061 1.00 0.00 H new ATOM 0 HA THR A 11 -20.873 -0.820 48.832 1.00 0.00 H new ATOM 0 HB THR A 11 -22.771 -1.354 51.151 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.659 0.472 52.111 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.699 -1.692 52.446 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.831 -2.851 51.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.741 -1.451 50.966 1.00 0.00 H new ATOM 141 N CYS A 12 -21.119 -3.237 48.320 1.00 0.00 N ATOM 142 CA CYS A 12 -21.258 -4.633 47.922 1.00 0.00 C ATOM 143 C CYS A 12 -21.329 -5.543 49.145 1.00 0.00 C ATOM 144 O CYS A 12 -20.520 -5.426 50.065 1.00 0.00 O ATOM 145 CB CYS A 12 -20.087 -5.049 47.030 1.00 0.00 C ATOM 146 SG CYS A 12 -20.289 -6.686 46.255 1.00 0.00 S ATOM 0 H CYS A 12 -20.195 -2.840 48.150 1.00 0.00 H new ATOM 0 HA CYS A 12 -22.187 -4.735 47.361 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.957 -4.302 46.247 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -19.173 -5.050 47.625 1.00 0.00 H new ATOM 151 N GLU A 13 -22.302 -6.448 49.147 1.00 0.00 N ATOM 152 CA GLU A 13 -22.478 -7.378 50.257 1.00 0.00 C ATOM 153 C GLU A 13 -21.787 -8.707 49.968 1.00 0.00 C ATOM 154 O GLU A 13 -22.227 -9.761 50.429 1.00 0.00 O ATOM 155 CB GLU A 13 -23.966 -7.611 50.524 1.00 0.00 C ATOM 156 CG GLU A 13 -24.689 -8.302 49.381 1.00 0.00 C ATOM 157 CD GLU A 13 -25.246 -7.323 48.366 1.00 0.00 C ATOM 158 OE1 GLU A 13 -24.491 -6.918 47.457 1.00 0.00 O ATOM 159 OE2 GLU A 13 -26.436 -6.962 48.480 1.00 0.00 O ATOM 0 H GLU A 13 -22.980 -6.557 48.393 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.022 -6.937 51.143 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -24.075 -8.212 51.427 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.446 -6.652 50.719 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -24.002 -8.985 48.882 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -25.503 -8.905 49.783 1.00 0.00 H new ATOM 166 N TYR A 14 -20.704 -8.650 49.201 1.00 0.00 N ATOM 167 CA TYR A 14 -19.954 -9.849 48.847 1.00 0.00 C ATOM 168 C TYR A 14 -18.478 -9.692 49.199 1.00 0.00 C ATOM 169 O TYR A 14 -17.870 -10.584 49.792 1.00 0.00 O ATOM 170 CB TYR A 14 -20.104 -10.149 47.355 1.00 0.00 C ATOM 171 CG TYR A 14 -21.527 -10.446 46.937 1.00 0.00 C ATOM 172 CD1 TYR A 14 -22.492 -9.447 46.929 1.00 0.00 C ATOM 173 CD2 TYR A 14 -21.906 -11.726 46.552 1.00 0.00 C ATOM 174 CE1 TYR A 14 -23.793 -9.714 46.549 1.00 0.00 C ATOM 175 CE2 TYR A 14 -23.204 -12.002 46.169 1.00 0.00 C ATOM 176 CZ TYR A 14 -24.144 -10.992 46.169 1.00 0.00 C ATOM 177 OH TYR A 14 -25.439 -11.263 45.790 1.00 0.00 O ATOM 0 H TYR A 14 -20.326 -7.786 48.812 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.360 -10.682 49.421 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.736 -9.297 46.783 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.474 -11.001 47.099 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.221 -8.444 47.225 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.173 -12.519 46.552 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -24.531 -8.926 46.550 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -23.482 -13.002 45.871 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.519 -12.210 45.551 1.00 0.00 H new ATOM 187 N CYS A 15 -17.907 -8.550 48.831 1.00 0.00 N ATOM 188 CA CYS A 15 -16.502 -8.273 49.106 1.00 0.00 C ATOM 189 C CYS A 15 -16.350 -6.986 49.911 1.00 0.00 C ATOM 190 O CYS A 15 -15.287 -6.367 49.915 1.00 0.00 O ATOM 191 CB CYS A 15 -15.715 -8.167 47.799 1.00 0.00 C ATOM 192 SG CYS A 15 -16.387 -6.947 46.624 1.00 0.00 S ATOM 0 H CYS A 15 -18.396 -7.801 48.341 1.00 0.00 H new ATOM 0 HA CYS A 15 -16.103 -9.099 49.695 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.683 -7.904 48.029 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -15.695 -9.145 47.319 1.00 0.00 H new ATOM 197 N ASN A 16 -17.421 -6.589 50.591 1.00 0.00 N ATOM 198 CA ASN A 16 -17.406 -5.376 51.400 1.00 0.00 C ATOM 199 C ASN A 16 -16.819 -4.206 50.615 1.00 0.00 C ATOM 200 O ASN A 16 -15.977 -3.465 51.121 1.00 0.00 O ATOM 201 CB ASN A 16 -16.600 -5.600 52.681 1.00 0.00 C ATOM 202 CG ASN A 16 -16.505 -4.348 53.531 1.00 0.00 C ATOM 203 OD1 ASN A 16 -17.181 -3.353 53.269 1.00 0.00 O ATOM 204 ND2 ASN A 16 -15.661 -4.392 54.556 1.00 0.00 N ATOM 0 H ASN A 16 -18.310 -7.090 50.598 1.00 0.00 H new ATOM 0 HA ASN A 16 -18.435 -5.134 51.665 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.063 -6.397 53.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.596 -5.936 52.421 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.553 -3.580 55.163 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.121 -5.238 54.736 1.00 0.00 H new ATOM 211 N LYS A 17 -17.270 -4.047 49.375 1.00 0.00 N ATOM 212 CA LYS A 17 -16.793 -2.968 48.520 1.00 0.00 C ATOM 213 C LYS A 17 -17.778 -1.803 48.511 1.00 0.00 C ATOM 214 O LYS A 17 -18.885 -1.910 49.039 1.00 0.00 O ATOM 215 CB LYS A 17 -16.577 -3.477 47.093 1.00 0.00 C ATOM 216 CG LYS A 17 -15.177 -4.012 46.843 1.00 0.00 C ATOM 217 CD LYS A 17 -14.979 -4.396 45.386 1.00 0.00 C ATOM 218 CE LYS A 17 -13.767 -5.297 45.208 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.497 -4.521 45.186 1.00 0.00 N ATOM 0 H LYS A 17 -17.966 -4.653 48.940 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.843 -2.615 48.921 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.301 -4.265 46.884 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.777 -2.666 46.393 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.442 -3.257 47.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.000 -4.881 47.477 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.870 -4.905 45.018 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.856 -3.495 44.785 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.734 -6.025 46.019 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.865 -5.859 44.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.695 -5.171 45.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.518 -3.844 44.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.390 -4.005 46.083 1.00 0.00 H new ATOM 233 N VAL A 18 -17.369 -0.692 47.908 1.00 0.00 N ATOM 234 CA VAL A 18 -18.217 0.492 47.828 1.00 0.00 C ATOM 235 C VAL A 18 -18.031 1.212 46.498 1.00 0.00 C ATOM 236 O VAL A 18 -16.913 1.341 45.999 1.00 0.00 O ATOM 237 CB VAL A 18 -17.919 1.473 48.977 1.00 0.00 C ATOM 238 CG1 VAL A 18 -18.820 2.696 48.882 1.00 0.00 C ATOM 239 CG2 VAL A 18 -18.083 0.784 50.323 1.00 0.00 C ATOM 0 H VAL A 18 -16.455 -0.586 47.467 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.249 0.150 47.911 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.885 1.805 48.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.595 3.378 49.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -18.648 3.202 47.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.863 2.385 48.944 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.868 1.493 51.123 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.106 0.422 50.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.392 -0.057 50.388 1.00 0.00 H new ATOM 249 N PHE A 19 -19.136 1.681 45.926 1.00 0.00 N ATOM 250 CA PHE A 19 -19.096 2.389 44.652 1.00 0.00 C ATOM 251 C PHE A 19 -19.973 3.637 44.695 1.00 0.00 C ATOM 252 O PHE A 19 -21.030 3.646 45.326 1.00 0.00 O ATOM 253 CB PHE A 19 -19.554 1.469 43.519 1.00 0.00 C ATOM 254 CG PHE A 19 -18.990 0.080 43.609 1.00 0.00 C ATOM 255 CD1 PHE A 19 -19.293 -0.737 44.686 1.00 0.00 C ATOM 256 CD2 PHE A 19 -18.156 -0.409 42.616 1.00 0.00 C ATOM 257 CE1 PHE A 19 -18.776 -2.016 44.772 1.00 0.00 C ATOM 258 CE2 PHE A 19 -17.636 -1.687 42.696 1.00 0.00 C ATOM 259 CZ PHE A 19 -17.945 -2.491 43.776 1.00 0.00 C ATOM 0 H PHE A 19 -20.070 1.583 46.325 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.067 2.696 44.468 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.642 1.412 43.526 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.264 1.909 42.565 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.941 -0.370 45.468 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.910 0.216 41.770 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.021 -2.643 45.616 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.989 -2.057 41.915 1.00 0.00 H new ATOM 0 HZ PHE A 19 -17.538 -3.489 43.842 1.00 0.00 H new ATOM 269 N LYS A 20 -19.526 4.691 44.021 1.00 0.00 N ATOM 270 CA LYS A 20 -20.268 5.945 43.980 1.00 0.00 C ATOM 271 C LYS A 20 -21.550 5.793 43.167 1.00 0.00 C ATOM 272 O LYS A 20 -22.641 6.101 43.646 1.00 0.00 O ATOM 273 CB LYS A 20 -19.401 7.055 43.382 1.00 0.00 C ATOM 274 CG LYS A 20 -19.876 8.454 43.733 1.00 0.00 C ATOM 275 CD LYS A 20 -19.454 9.468 42.683 1.00 0.00 C ATOM 276 CE LYS A 20 -19.616 10.893 43.187 1.00 0.00 C ATOM 277 NZ LYS A 20 -21.043 11.230 43.449 1.00 0.00 N ATOM 0 H LYS A 20 -18.652 4.701 43.495 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.537 6.213 45.002 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.376 6.931 43.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.385 6.947 42.297 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.962 8.457 43.827 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.471 8.744 44.703 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.414 9.295 42.406 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.051 9.330 41.782 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.038 11.022 44.102 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.208 11.587 42.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.115 12.220 43.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.596 11.099 42.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.416 10.607 44.193 1.00 0.00 H new ATOM 291 N PHE A 21 -21.410 5.314 41.935 1.00 0.00 N ATOM 292 CA PHE A 21 -22.558 5.120 41.056 1.00 0.00 C ATOM 293 C PHE A 21 -23.119 3.708 41.197 1.00 0.00 C ATOM 294 O PHE A 21 -22.426 2.794 41.646 1.00 0.00 O ATOM 295 CB PHE A 21 -22.162 5.380 39.601 1.00 0.00 C ATOM 296 CG PHE A 21 -21.773 6.806 39.332 1.00 0.00 C ATOM 297 CD1 PHE A 21 -22.724 7.737 38.947 1.00 0.00 C ATOM 298 CD2 PHE A 21 -20.456 7.215 39.465 1.00 0.00 C ATOM 299 CE1 PHE A 21 -22.369 9.049 38.698 1.00 0.00 C ATOM 300 CE2 PHE A 21 -20.094 8.526 39.217 1.00 0.00 C ATOM 301 CZ PHE A 21 -21.053 9.444 38.834 1.00 0.00 C ATOM 0 H PHE A 21 -20.514 5.053 41.523 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.332 5.830 41.348 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -21.329 4.728 39.337 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -22.995 5.110 38.952 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.755 7.434 38.840 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -19.703 6.501 39.766 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.120 9.765 38.397 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -19.064 8.832 39.322 1.00 0.00 H new ATOM 0 HZ PHE A 21 -20.774 10.469 38.641 1.00 0.00 H new ATOM 311 N LYS A 22 -24.379 3.537 40.812 1.00 0.00 N ATOM 312 CA LYS A 22 -25.035 2.238 40.894 1.00 0.00 C ATOM 313 C LYS A 22 -24.560 1.317 39.775 1.00 0.00 C ATOM 314 O LYS A 22 -24.409 0.111 39.971 1.00 0.00 O ATOM 315 CB LYS A 22 -26.555 2.405 40.822 1.00 0.00 C ATOM 316 CG LYS A 22 -27.087 2.518 39.404 1.00 0.00 C ATOM 317 CD LYS A 22 -26.884 3.915 38.841 1.00 0.00 C ATOM 318 CE LYS A 22 -27.595 4.963 39.683 1.00 0.00 C ATOM 319 NZ LYS A 22 -27.851 6.212 38.913 1.00 0.00 N ATOM 0 H LYS A 22 -24.967 4.283 40.440 1.00 0.00 H new ATOM 0 HA LYS A 22 -24.771 1.785 41.850 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -27.029 1.555 41.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -26.841 3.296 41.381 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -26.583 1.791 38.767 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -28.149 2.271 39.392 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -25.818 4.141 38.800 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -27.257 3.954 37.818 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -28.541 4.559 40.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -26.991 5.195 40.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -28.337 6.901 39.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -26.947 6.612 38.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -28.448 5.996 38.089 1.00 0.00 H new ATOM 333 N HIS A 23 -24.326 1.893 38.600 1.00 0.00 N ATOM 334 CA HIS A 23 -23.866 1.124 37.449 1.00 0.00 C ATOM 335 C HIS A 23 -22.574 0.381 37.774 1.00 0.00 C ATOM 336 O HIS A 23 -22.452 -0.816 37.513 1.00 0.00 O ATOM 337 CB HIS A 23 -23.651 2.044 36.247 1.00 0.00 C ATOM 338 CG HIS A 23 -22.585 3.074 36.464 1.00 0.00 C ATOM 339 ND1 HIS A 23 -21.238 2.791 36.387 1.00 0.00 N ATOM 340 CD2 HIS A 23 -22.675 4.392 36.757 1.00 0.00 C ATOM 341 CE1 HIS A 23 -20.545 3.891 36.624 1.00 0.00 C ATOM 342 NE2 HIS A 23 -21.394 4.877 36.850 1.00 0.00 N ATOM 0 H HIS A 23 -24.447 2.890 38.420 1.00 0.00 H new ATOM 0 HA HIS A 23 -24.634 0.391 37.202 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -23.389 1.439 35.379 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -24.589 2.548 36.013 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -23.585 4.957 36.892 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -19.468 3.970 36.632 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -21.139 5.842 37.060 1.00 0.00 H new ATOM 350 N SER A 24 -21.611 1.098 38.344 1.00 0.00 N ATOM 351 CA SER A 24 -20.326 0.508 38.700 1.00 0.00 C ATOM 352 C SER A 24 -20.521 -0.802 39.457 1.00 0.00 C ATOM 353 O SER A 24 -19.956 -1.834 39.092 1.00 0.00 O ATOM 354 CB SER A 24 -19.510 1.484 39.549 1.00 0.00 C ATOM 355 OG SER A 24 -20.293 2.024 40.600 1.00 0.00 O ATOM 0 H SER A 24 -21.696 2.089 38.569 1.00 0.00 H new ATOM 0 HA SER A 24 -19.783 0.298 37.778 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.642 0.972 39.964 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.133 2.291 38.920 1.00 0.00 H new ATOM 0 HG SER A 24 -21.242 1.973 40.360 1.00 0.00 H new ATOM 361 N LEU A 25 -21.325 -0.753 40.513 1.00 0.00 N ATOM 362 CA LEU A 25 -21.596 -1.935 41.324 1.00 0.00 C ATOM 363 C LEU A 25 -22.377 -2.975 40.526 1.00 0.00 C ATOM 364 O LEU A 25 -22.044 -4.159 40.539 1.00 0.00 O ATOM 365 CB LEU A 25 -22.377 -1.548 42.581 1.00 0.00 C ATOM 366 CG LEU A 25 -22.933 -2.707 43.409 1.00 0.00 C ATOM 367 CD1 LEU A 25 -21.851 -3.290 44.305 1.00 0.00 C ATOM 368 CD2 LEU A 25 -24.124 -2.247 44.237 1.00 0.00 C ATOM 0 H LEU A 25 -21.801 0.092 40.828 1.00 0.00 H new ATOM 0 HA LEU A 25 -20.641 -2.371 41.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.726 -0.951 43.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -23.208 -0.907 42.285 1.00 0.00 H new ATOM 0 HG LEU A 25 -23.270 -3.487 42.727 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -22.265 -4.114 44.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -21.029 -3.657 43.691 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -21.483 -2.518 44.980 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -24.507 -3.085 44.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -23.812 -1.449 44.910 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -24.907 -1.878 43.574 1.00 0.00 H new ATOM 380 N GLN A 26 -23.416 -2.522 39.832 1.00 0.00 N ATOM 381 CA GLN A 26 -24.244 -3.413 39.027 1.00 0.00 C ATOM 382 C GLN A 26 -23.382 -4.283 38.118 1.00 0.00 C ATOM 383 O GLN A 26 -23.607 -5.487 38.000 1.00 0.00 O ATOM 384 CB GLN A 26 -25.235 -2.604 38.189 1.00 0.00 C ATOM 385 CG GLN A 26 -26.484 -2.193 38.952 1.00 0.00 C ATOM 386 CD GLN A 26 -27.294 -3.382 39.428 1.00 0.00 C ATOM 387 OE1 GLN A 26 -27.165 -3.818 40.573 1.00 0.00 O ATOM 388 NE2 GLN A 26 -28.137 -3.915 38.551 1.00 0.00 N ATOM 0 H GLN A 26 -23.705 -1.544 39.811 1.00 0.00 H new ATOM 0 HA GLN A 26 -24.798 -4.064 39.704 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.737 -1.709 37.816 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -25.528 -3.192 37.319 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.197 -1.586 39.811 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -27.106 -1.567 38.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -28.212 -3.522 37.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -28.709 -4.717 38.816 1.00 0.00 H new ATOM 397 N ALA A 27 -22.394 -3.665 37.479 1.00 0.00 N ATOM 398 CA ALA A 27 -21.498 -4.384 36.582 1.00 0.00 C ATOM 399 C ALA A 27 -20.461 -5.182 37.365 1.00 0.00 C ATOM 400 O ALA A 27 -19.757 -6.023 36.805 1.00 0.00 O ATOM 401 CB ALA A 27 -20.812 -3.413 35.632 1.00 0.00 C ATOM 0 H ALA A 27 -22.194 -2.669 37.566 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.094 -5.086 35.999 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -20.146 -3.963 34.968 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -21.564 -2.890 35.040 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.234 -2.689 36.206 1.00 0.00 H new ATOM 407 N HIS A 28 -20.372 -4.913 38.664 1.00 0.00 N ATOM 408 CA HIS A 28 -19.421 -5.607 39.525 1.00 0.00 C ATOM 409 C HIS A 28 -20.040 -6.872 40.111 1.00 0.00 C ATOM 410 O HIS A 28 -19.365 -7.890 40.271 1.00 0.00 O ATOM 411 CB HIS A 28 -18.954 -4.685 40.651 1.00 0.00 C ATOM 412 CG HIS A 28 -18.397 -5.418 41.833 1.00 0.00 C ATOM 413 ND1 HIS A 28 -17.134 -5.971 41.849 1.00 0.00 N ATOM 414 CD2 HIS A 28 -18.939 -5.686 43.044 1.00 0.00 C ATOM 415 CE1 HIS A 28 -16.924 -6.549 43.019 1.00 0.00 C ATOM 416 NE2 HIS A 28 -18.004 -6.390 43.762 1.00 0.00 N ATOM 0 H HIS A 28 -20.947 -4.220 39.143 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.561 -5.892 38.919 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -18.194 -4.007 40.263 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -19.793 -4.070 40.977 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -16.466 -5.939 41.079 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.924 -5.399 43.383 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.022 -7.064 43.317 1.00 0.00 H new ATOM 424 N LEU A 29 -21.328 -6.802 40.429 1.00 0.00 N ATOM 425 CA LEU A 29 -22.039 -7.941 40.998 1.00 0.00 C ATOM 426 C LEU A 29 -21.993 -9.138 40.054 1.00 0.00 C ATOM 427 O LEU A 29 -22.226 -10.275 40.466 1.00 0.00 O ATOM 428 CB LEU A 29 -23.492 -7.565 41.293 1.00 0.00 C ATOM 429 CG LEU A 29 -23.718 -6.654 42.500 1.00 0.00 C ATOM 430 CD1 LEU A 29 -25.105 -6.032 42.447 1.00 0.00 C ATOM 431 CD2 LEU A 29 -23.528 -7.429 43.796 1.00 0.00 C ATOM 0 H LEU A 29 -21.901 -5.968 40.302 1.00 0.00 H new ATOM 0 HA LEU A 29 -21.546 -8.217 41.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -23.906 -7.076 40.411 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -24.060 -8.483 41.444 1.00 0.00 H new ATOM 0 HG LEU A 29 -22.981 -5.852 42.469 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -25.248 -5.387 43.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -25.205 -5.442 41.536 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -25.858 -6.820 42.453 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -23.693 -6.765 44.645 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.241 -8.252 43.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -22.514 -7.826 43.837 1.00 0.00 H new ATOM 443 N ARG A 30 -21.689 -8.875 38.788 1.00 0.00 N ATOM 444 CA ARG A 30 -21.612 -9.931 37.785 1.00 0.00 C ATOM 445 C ARG A 30 -20.774 -11.101 38.293 1.00 0.00 C ATOM 446 O ARG A 30 -21.199 -12.255 38.229 1.00 0.00 O ATOM 447 CB ARG A 30 -21.014 -9.388 36.486 1.00 0.00 C ATOM 448 CG ARG A 30 -21.957 -8.478 35.716 1.00 0.00 C ATOM 449 CD ARG A 30 -21.235 -7.748 34.594 1.00 0.00 C ATOM 450 NE ARG A 30 -20.601 -8.674 33.659 1.00 0.00 N ATOM 451 CZ ARG A 30 -19.532 -8.367 32.932 1.00 0.00 C ATOM 452 NH1 ARG A 30 -18.981 -7.166 33.033 1.00 0.00 N ATOM 453 NH2 ARG A 30 -19.012 -9.264 32.104 1.00 0.00 N ATOM 0 H ARG A 30 -21.492 -7.940 38.432 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.623 -10.287 37.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.101 -8.839 36.718 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -20.729 -10.225 35.849 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -22.775 -9.067 35.301 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -22.401 -7.752 36.397 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -21.944 -7.118 34.056 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -20.479 -7.087 35.019 1.00 0.00 H new ATOM 0 HE ARG A 30 -21.001 -9.607 33.559 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -19.377 -6.475 33.670 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.160 -6.933 32.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.433 -10.190 32.025 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.191 -9.028 31.546 1.00 0.00 H new ATOM 467 N ILE A 31 -19.582 -10.796 38.795 1.00 0.00 N ATOM 468 CA ILE A 31 -18.686 -11.822 39.313 1.00 0.00 C ATOM 469 C ILE A 31 -19.322 -12.569 40.480 1.00 0.00 C ATOM 470 O ILE A 31 -19.096 -13.765 40.662 1.00 0.00 O ATOM 471 CB ILE A 31 -17.346 -11.218 39.773 1.00 0.00 C ATOM 472 CG1 ILE A 31 -17.524 -10.478 41.100 1.00 0.00 C ATOM 473 CG2 ILE A 31 -16.793 -10.283 38.708 1.00 0.00 C ATOM 474 CD1 ILE A 31 -16.220 -10.034 41.724 1.00 0.00 C ATOM 0 H ILE A 31 -19.215 -9.846 38.854 1.00 0.00 H new ATOM 0 HA ILE A 31 -18.500 -12.520 38.497 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.632 -12.028 39.924 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.156 -9.605 40.938 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.050 -11.126 41.800 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.846 -9.864 39.048 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.633 -10.838 37.784 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.503 -9.476 38.528 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.423 -9.516 42.662 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.594 -10.905 41.918 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.701 -9.360 41.042 1.00 0.00 H new ATOM 486 N HIS A 32 -20.120 -11.855 41.268 1.00 0.00 N ATOM 487 CA HIS A 32 -20.792 -12.451 42.417 1.00 0.00 C ATOM 488 C HIS A 32 -22.022 -13.240 41.979 1.00 0.00 C ATOM 489 O HIS A 32 -22.824 -13.673 42.808 1.00 0.00 O ATOM 490 CB HIS A 32 -21.196 -11.367 43.417 1.00 0.00 C ATOM 491 CG HIS A 32 -20.030 -10.674 44.053 1.00 0.00 C ATOM 492 ND1 HIS A 32 -19.010 -11.348 44.690 1.00 0.00 N ATOM 493 CD2 HIS A 32 -19.725 -9.359 44.145 1.00 0.00 C ATOM 494 CE1 HIS A 32 -18.129 -10.477 45.149 1.00 0.00 C ATOM 495 NE2 HIS A 32 -18.539 -9.263 44.830 1.00 0.00 N ATOM 0 H HIS A 32 -20.317 -10.863 41.132 1.00 0.00 H new ATOM 0 HA HIS A 32 -20.095 -13.137 42.898 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -21.814 -10.627 42.908 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -21.811 -11.815 44.197 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -18.946 -12.361 44.791 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -20.306 -8.538 43.753 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -17.227 -10.717 45.693 1.00 0.00 H new ATOM 503 N THR A 33 -22.167 -13.422 40.670 1.00 0.00 N ATOM 504 CA THR A 33 -23.300 -14.157 40.121 1.00 0.00 C ATOM 505 C THR A 33 -22.840 -15.209 39.119 1.00 0.00 C ATOM 506 O THR A 33 -21.754 -15.106 38.551 1.00 0.00 O ATOM 507 CB THR A 33 -24.301 -13.211 39.431 1.00 0.00 C ATOM 508 OG1 THR A 33 -23.597 -12.183 38.725 1.00 0.00 O ATOM 509 CG2 THR A 33 -25.241 -12.582 40.449 1.00 0.00 C ATOM 0 H THR A 33 -21.514 -13.070 39.970 1.00 0.00 H new ATOM 0 HA THR A 33 -23.794 -14.649 40.959 1.00 0.00 H new ATOM 0 HB THR A 33 -24.893 -13.795 38.726 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.855 -12.580 38.223 1.00 0.00 H new ATOM 0 HG21 THR A 33 -25.939 -11.918 39.938 1.00 0.00 H new ATOM 0 HG22 THR A 33 -25.797 -13.366 40.964 1.00 0.00 H new ATOM 0 HG23 THR A 33 -24.662 -12.011 41.175 1.00 0.00 H new ATOM 517 N ASN A 34 -23.674 -16.223 38.908 1.00 0.00 N ATOM 518 CA ASN A 34 -23.352 -17.295 37.974 1.00 0.00 C ATOM 519 C ASN A 34 -23.105 -16.742 36.574 1.00 0.00 C ATOM 520 O ASN A 34 -24.004 -16.175 35.953 1.00 0.00 O ATOM 521 CB ASN A 34 -24.484 -18.324 37.936 1.00 0.00 C ATOM 522 CG ASN A 34 -25.784 -17.733 37.424 1.00 0.00 C ATOM 523 OD1 ASN A 34 -26.090 -17.814 36.234 1.00 0.00 O ATOM 524 ND2 ASN A 34 -26.556 -17.135 38.323 1.00 0.00 N ATOM 0 H ASN A 34 -24.577 -16.324 39.371 1.00 0.00 H new ATOM 0 HA ASN A 34 -22.439 -17.781 38.319 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -24.192 -19.159 37.299 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -24.640 -18.726 38.937 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -27.443 -16.719 38.038 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -26.263 -17.091 39.299 1.00 0.00 H new ATOM 531 N GLU A 35 -21.881 -16.911 36.084 1.00 0.00 N ATOM 532 CA GLU A 35 -21.517 -16.428 34.757 1.00 0.00 C ATOM 533 C GLU A 35 -22.650 -16.663 33.762 1.00 0.00 C ATOM 534 O GLU A 35 -23.487 -17.545 33.954 1.00 0.00 O ATOM 535 CB GLU A 35 -20.243 -17.121 34.269 1.00 0.00 C ATOM 536 CG GLU A 35 -20.427 -18.602 33.984 1.00 0.00 C ATOM 537 CD GLU A 35 -19.135 -19.283 33.576 1.00 0.00 C ATOM 538 OE1 GLU A 35 -18.055 -18.745 33.897 1.00 0.00 O ATOM 539 OE2 GLU A 35 -19.204 -20.352 32.934 1.00 0.00 O ATOM 0 H GLU A 35 -21.125 -17.378 36.585 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.335 -15.356 34.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.894 -16.626 33.363 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.462 -16.998 35.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -20.827 -19.092 34.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.165 -18.727 33.192 1.00 0.00 H new ATOM 546 N LYS A 36 -22.670 -15.867 32.698 1.00 0.00 N ATOM 547 CA LYS A 36 -23.698 -15.987 31.671 1.00 0.00 C ATOM 548 C LYS A 36 -23.948 -17.450 31.320 1.00 0.00 C ATOM 549 O LYS A 36 -23.026 -18.205 31.009 1.00 0.00 O ATOM 550 CB LYS A 36 -23.288 -15.213 30.417 1.00 0.00 C ATOM 551 CG LYS A 36 -23.762 -13.770 30.410 1.00 0.00 C ATOM 552 CD LYS A 36 -22.764 -12.852 31.095 1.00 0.00 C ATOM 553 CE LYS A 36 -23.254 -11.412 31.115 1.00 0.00 C ATOM 554 NZ LYS A 36 -23.319 -10.829 29.746 1.00 0.00 N ATOM 0 H LYS A 36 -21.985 -15.131 32.525 1.00 0.00 H new ATOM 0 HA LYS A 36 -24.622 -15.564 32.065 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -22.202 -15.230 30.329 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -23.687 -15.722 29.540 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -23.914 -13.441 29.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -24.726 -13.700 30.913 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -22.595 -13.194 32.116 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.806 -12.904 30.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.242 -11.371 31.574 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.589 -10.811 31.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.509 -9.809 29.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.412 -10.982 29.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -24.082 -11.289 29.209 1.00 0.00 H new ATOM 568 N PRO A 37 -25.223 -17.862 31.369 1.00 0.00 N ATOM 569 CA PRO A 37 -25.624 -19.237 31.056 1.00 0.00 C ATOM 570 C PRO A 37 -25.472 -19.563 29.574 1.00 0.00 C ATOM 571 O PRO A 37 -24.966 -20.625 29.211 1.00 0.00 O ATOM 572 CB PRO A 37 -27.098 -19.279 31.466 1.00 0.00 C ATOM 573 CG PRO A 37 -27.559 -17.866 31.366 1.00 0.00 C ATOM 574 CD PRO A 37 -26.373 -17.017 31.732 1.00 0.00 C ATOM 0 HA PRO A 37 -25.004 -19.970 31.572 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -27.673 -19.931 30.809 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -27.216 -19.663 32.479 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -27.905 -17.639 30.358 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -28.395 -17.680 32.040 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -26.369 -16.075 31.183 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -26.369 -16.768 32.793 1.00 0.00 H new ATOM 582 N TYR A 38 -25.914 -18.643 28.724 1.00 0.00 N ATOM 583 CA TYR A 38 -25.829 -18.833 27.281 1.00 0.00 C ATOM 584 C TYR A 38 -24.447 -18.450 26.761 1.00 0.00 C ATOM 585 O TYR A 38 -23.955 -17.352 27.022 1.00 0.00 O ATOM 586 CB TYR A 38 -26.902 -18.004 26.572 1.00 0.00 C ATOM 587 CG TYR A 38 -28.271 -18.119 27.203 1.00 0.00 C ATOM 588 CD1 TYR A 38 -28.903 -19.351 27.320 1.00 0.00 C ATOM 589 CD2 TYR A 38 -28.933 -16.995 27.682 1.00 0.00 C ATOM 590 CE1 TYR A 38 -30.154 -19.460 27.895 1.00 0.00 C ATOM 591 CE2 TYR A 38 -30.183 -17.095 28.260 1.00 0.00 C ATOM 592 CZ TYR A 38 -30.790 -18.329 28.364 1.00 0.00 C ATOM 593 OH TYR A 38 -32.036 -18.433 28.938 1.00 0.00 O ATOM 0 H TYR A 38 -26.335 -17.759 29.009 1.00 0.00 H new ATOM 0 HA TYR A 38 -25.996 -19.889 27.069 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -26.599 -16.957 26.571 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -26.964 -18.319 25.530 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -28.407 -20.238 26.955 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -28.462 -16.027 27.601 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -30.632 -20.425 27.977 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -30.683 -16.211 28.629 1.00 0.00 H new ATOM 0 HH TYR A 38 -32.343 -17.545 29.216 1.00 0.00 H new ATOM 603 N LYS A 39 -23.826 -19.362 26.021 1.00 0.00 N ATOM 604 CA LYS A 39 -22.502 -19.122 25.461 1.00 0.00 C ATOM 605 C LYS A 39 -22.525 -19.234 23.940 1.00 0.00 C ATOM 606 O LYS A 39 -23.258 -20.050 23.379 1.00 0.00 O ATOM 607 CB LYS A 39 -21.492 -20.115 26.041 1.00 0.00 C ATOM 608 CG LYS A 39 -20.820 -19.627 27.313 1.00 0.00 C ATOM 609 CD LYS A 39 -20.205 -20.775 28.094 1.00 0.00 C ATOM 610 CE LYS A 39 -19.974 -20.399 29.550 1.00 0.00 C ATOM 611 NZ LYS A 39 -18.724 -19.609 29.727 1.00 0.00 N ATOM 0 H LYS A 39 -24.219 -20.276 25.795 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.201 -18.109 25.728 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -21.999 -21.058 26.247 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.727 -20.321 25.292 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.047 -18.901 27.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -21.550 -19.111 27.937 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.860 -21.644 28.041 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.258 -21.061 27.637 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.823 -19.822 29.915 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.920 -21.304 30.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.602 -19.372 30.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.910 -20.169 29.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.785 -18.733 29.170 1.00 0.00 H new ATOM 625 N CYS A 40 -21.719 -18.412 23.278 1.00 0.00 N ATOM 626 CA CYS A 40 -21.646 -18.419 21.822 1.00 0.00 C ATOM 627 C CYS A 40 -20.797 -19.586 21.326 1.00 0.00 C ATOM 628 O CYS A 40 -19.705 -19.850 21.829 1.00 0.00 O ATOM 629 CB CYS A 40 -21.066 -17.099 21.312 1.00 0.00 C ATOM 630 SG CYS A 40 -21.068 -16.936 19.498 1.00 0.00 S ATOM 0 H CYS A 40 -21.106 -17.731 23.727 1.00 0.00 H new ATOM 0 HA CYS A 40 -22.658 -18.537 21.433 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -21.636 -16.275 21.741 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -20.042 -17.001 21.674 1.00 0.00 H new ATOM 635 N PRO A 41 -21.309 -20.302 20.314 1.00 0.00 N ATOM 636 CA PRO A 41 -20.614 -21.452 19.726 1.00 0.00 C ATOM 637 C PRO A 41 -19.376 -21.039 18.937 1.00 0.00 C ATOM 638 O PRO A 41 -18.417 -21.803 18.827 1.00 0.00 O ATOM 639 CB PRO A 41 -21.663 -22.062 18.794 1.00 0.00 C ATOM 640 CG PRO A 41 -22.568 -20.930 18.449 1.00 0.00 C ATOM 641 CD PRO A 41 -22.605 -20.045 19.664 1.00 0.00 C ATOM 0 HA PRO A 41 -20.249 -22.141 20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -21.201 -22.486 17.902 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -22.207 -22.869 19.285 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -22.198 -20.385 17.580 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -23.566 -21.290 18.198 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -22.717 -18.995 19.393 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -23.440 -20.296 20.319 1.00 0.00 H new ATOM 649 N GLN A 42 -19.404 -19.828 18.392 1.00 0.00 N ATOM 650 CA GLN A 42 -18.283 -19.315 17.613 1.00 0.00 C ATOM 651 C GLN A 42 -17.171 -18.809 18.527 1.00 0.00 C ATOM 652 O GLN A 42 -16.043 -19.301 18.481 1.00 0.00 O ATOM 653 CB GLN A 42 -18.749 -18.190 16.687 1.00 0.00 C ATOM 654 CG GLN A 42 -19.598 -18.674 15.522 1.00 0.00 C ATOM 655 CD GLN A 42 -19.785 -17.612 14.456 1.00 0.00 C ATOM 656 OE1 GLN A 42 -20.820 -16.947 14.402 1.00 0.00 O ATOM 657 NE2 GLN A 42 -18.783 -17.448 13.601 1.00 0.00 N ATOM 0 H GLN A 42 -20.190 -19.183 18.475 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.889 -20.133 17.009 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -19.322 -17.467 17.267 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -17.876 -17.666 16.297 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -19.130 -19.552 15.077 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -20.574 -18.986 15.894 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -17.943 -18.021 13.683 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -18.853 -16.748 12.862 1.00 0.00 H new ATOM 666 N CYS A 43 -17.497 -17.823 19.356 1.00 0.00 N ATOM 667 CA CYS A 43 -16.527 -17.249 20.281 1.00 0.00 C ATOM 668 C CYS A 43 -16.957 -17.471 21.728 1.00 0.00 C ATOM 669 O CYS A 43 -17.951 -18.146 21.994 1.00 0.00 O ATOM 670 CB CYS A 43 -16.357 -15.753 20.011 1.00 0.00 C ATOM 671 SG CYS A 43 -17.864 -14.771 20.298 1.00 0.00 S ATOM 0 H CYS A 43 -18.426 -17.405 19.406 1.00 0.00 H new ATOM 0 HA CYS A 43 -15.572 -17.750 20.124 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.559 -15.368 20.646 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.037 -15.615 18.978 1.00 0.00 H new ATOM 676 N SER A 44 -16.201 -16.897 22.659 1.00 0.00 N ATOM 677 CA SER A 44 -16.501 -17.035 24.079 1.00 0.00 C ATOM 678 C SER A 44 -17.535 -16.002 24.518 1.00 0.00 C ATOM 679 O SER A 44 -17.620 -15.654 25.696 1.00 0.00 O ATOM 680 CB SER A 44 -15.225 -16.882 24.909 1.00 0.00 C ATOM 681 OG SER A 44 -14.399 -18.026 24.790 1.00 0.00 O ATOM 0 H SER A 44 -15.377 -16.332 22.455 1.00 0.00 H new ATOM 0 HA SER A 44 -16.915 -18.030 24.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.678 -15.999 24.580 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.485 -16.725 25.956 1.00 0.00 H new ATOM 0 HG SER A 44 -13.589 -17.902 25.328 1.00 0.00 H new ATOM 687 N TYR A 45 -18.318 -15.515 23.562 1.00 0.00 N ATOM 688 CA TYR A 45 -19.344 -14.519 23.848 1.00 0.00 C ATOM 689 C TYR A 45 -20.554 -15.162 24.519 1.00 0.00 C ATOM 690 O TYR A 45 -21.243 -15.989 23.922 1.00 0.00 O ATOM 691 CB TYR A 45 -19.775 -13.816 22.560 1.00 0.00 C ATOM 692 CG TYR A 45 -20.935 -12.864 22.749 1.00 0.00 C ATOM 693 CD1 TYR A 45 -22.238 -13.336 22.844 1.00 0.00 C ATOM 694 CD2 TYR A 45 -20.727 -11.493 22.832 1.00 0.00 C ATOM 695 CE1 TYR A 45 -23.301 -12.470 23.016 1.00 0.00 C ATOM 696 CE2 TYR A 45 -21.783 -10.619 23.005 1.00 0.00 C ATOM 697 CZ TYR A 45 -23.068 -11.113 23.097 1.00 0.00 C ATOM 698 OH TYR A 45 -24.123 -10.246 23.268 1.00 0.00 O ATOM 0 H TYR A 45 -18.262 -15.794 22.582 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.920 -13.783 24.531 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -18.926 -13.265 22.155 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -20.050 -14.568 21.820 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -22.423 -14.398 22.782 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -19.722 -11.103 22.760 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -24.308 -12.853 23.087 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -21.604 -9.556 23.068 1.00 0.00 H new ATOM 0 HH TYR A 45 -23.787 -9.326 23.306 1.00 0.00 H new ATOM 708 N ALA A 46 -20.806 -14.775 25.766 1.00 0.00 N ATOM 709 CA ALA A 46 -21.934 -15.310 26.518 1.00 0.00 C ATOM 710 C ALA A 46 -22.907 -14.204 26.910 1.00 0.00 C ATOM 711 O ALA A 46 -22.496 -13.110 27.296 1.00 0.00 O ATOM 712 CB ALA A 46 -21.441 -16.045 27.756 1.00 0.00 C ATOM 0 H ALA A 46 -20.244 -14.093 26.276 1.00 0.00 H new ATOM 0 HA ALA A 46 -22.465 -16.014 25.877 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -22.294 -16.440 28.309 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -20.791 -16.867 27.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -20.885 -15.356 28.391 1.00 0.00 H new ATOM 718 N SER A 47 -24.200 -14.495 26.808 1.00 0.00 N ATOM 719 CA SER A 47 -25.232 -13.523 27.147 1.00 0.00 C ATOM 720 C SER A 47 -26.233 -14.115 28.135 1.00 0.00 C ATOM 721 O SER A 47 -26.448 -15.326 28.166 1.00 0.00 O ATOM 722 CB SER A 47 -25.960 -13.057 25.884 1.00 0.00 C ATOM 723 OG SER A 47 -26.473 -11.746 26.045 1.00 0.00 O ATOM 0 H SER A 47 -24.558 -15.397 26.493 1.00 0.00 H new ATOM 0 HA SER A 47 -24.748 -12.666 27.616 1.00 0.00 H new ATOM 0 HB2 SER A 47 -25.275 -13.081 25.036 1.00 0.00 H new ATOM 0 HB3 SER A 47 -26.775 -13.744 25.656 1.00 0.00 H new ATOM 0 HG SER A 47 -26.491 -11.293 25.176 1.00 0.00 H new ATOM 729 N ALA A 48 -26.841 -13.251 28.941 1.00 0.00 N ATOM 730 CA ALA A 48 -27.820 -13.687 29.929 1.00 0.00 C ATOM 731 C ALA A 48 -29.182 -13.924 29.285 1.00 0.00 C ATOM 732 O ALA A 48 -30.080 -14.496 29.902 1.00 0.00 O ATOM 733 CB ALA A 48 -27.935 -12.661 31.047 1.00 0.00 C ATOM 0 H ALA A 48 -26.673 -12.245 28.929 1.00 0.00 H new ATOM 0 HA ALA A 48 -27.477 -14.632 30.351 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -28.670 -13.000 31.778 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -26.967 -12.543 31.534 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -28.251 -11.704 30.632 1.00 0.00 H new ATOM 739 N ILE A 49 -29.328 -13.479 28.041 1.00 0.00 N ATOM 740 CA ILE A 49 -30.581 -13.644 27.314 1.00 0.00 C ATOM 741 C ILE A 49 -30.366 -14.414 26.015 1.00 0.00 C ATOM 742 O ILE A 49 -29.435 -14.133 25.260 1.00 0.00 O ATOM 743 CB ILE A 49 -31.226 -12.284 26.989 1.00 0.00 C ATOM 744 CG1 ILE A 49 -31.380 -11.450 28.263 1.00 0.00 C ATOM 745 CG2 ILE A 49 -32.575 -12.485 26.316 1.00 0.00 C ATOM 746 CD1 ILE A 49 -32.505 -11.918 29.159 1.00 0.00 C ATOM 0 H ILE A 49 -28.595 -13.002 27.516 1.00 0.00 H new ATOM 0 HA ILE A 49 -31.250 -14.209 27.963 1.00 0.00 H new ATOM 0 HB ILE A 49 -30.575 -11.745 26.301 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -30.445 -11.479 28.822 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -31.554 -10.410 27.988 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -33.018 -11.515 26.093 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -32.440 -13.044 25.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -33.235 -13.041 26.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -32.555 -11.281 30.042 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -33.449 -11.862 28.617 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -32.322 -12.948 29.464 1.00 0.00 H new ATOM 758 N LYS A 50 -31.234 -15.388 25.761 1.00 0.00 N ATOM 759 CA LYS A 50 -31.142 -16.198 24.552 1.00 0.00 C ATOM 760 C LYS A 50 -31.329 -15.339 23.306 1.00 0.00 C ATOM 761 O LYS A 50 -30.612 -15.499 22.318 1.00 0.00 O ATOM 762 CB LYS A 50 -32.192 -17.311 24.579 1.00 0.00 C ATOM 763 CG LYS A 50 -31.698 -18.598 25.217 1.00 0.00 C ATOM 764 CD LYS A 50 -31.074 -19.526 24.188 1.00 0.00 C ATOM 765 CE LYS A 50 -31.199 -20.984 24.604 1.00 0.00 C ATOM 766 NZ LYS A 50 -32.459 -21.598 24.100 1.00 0.00 N ATOM 0 H LYS A 50 -32.009 -15.635 26.376 1.00 0.00 H new ATOM 0 HA LYS A 50 -30.148 -16.644 24.518 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -33.069 -16.959 25.123 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -32.513 -17.521 23.559 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -30.965 -18.364 25.990 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -32.529 -19.104 25.708 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -31.559 -19.379 23.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -30.022 -19.272 24.058 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -30.345 -21.545 24.225 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -31.170 -21.055 25.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -32.507 -22.591 24.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -33.275 -21.079 24.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -32.476 -21.553 23.061 1.00 0.00 H new ATOM 780 N ALA A 51 -32.295 -14.428 23.359 1.00 0.00 N ATOM 781 CA ALA A 51 -32.572 -13.542 22.236 1.00 0.00 C ATOM 782 C ALA A 51 -31.378 -12.642 21.939 1.00 0.00 C ATOM 783 O ALA A 51 -30.982 -12.480 20.785 1.00 0.00 O ATOM 784 CB ALA A 51 -33.811 -12.704 22.518 1.00 0.00 C ATOM 0 H ALA A 51 -32.899 -14.284 24.168 1.00 0.00 H new ATOM 0 HA ALA A 51 -32.756 -14.158 21.356 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -34.006 -12.047 21.671 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -34.667 -13.361 22.673 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -33.648 -12.104 23.413 1.00 0.00 H new ATOM 790 N ASN A 52 -30.808 -12.057 22.988 1.00 0.00 N ATOM 791 CA ASN A 52 -29.660 -11.171 22.839 1.00 0.00 C ATOM 792 C ASN A 52 -28.507 -11.888 22.141 1.00 0.00 C ATOM 793 O ASN A 52 -27.847 -11.322 21.269 1.00 0.00 O ATOM 794 CB ASN A 52 -29.204 -10.659 24.206 1.00 0.00 C ATOM 795 CG ASN A 52 -28.379 -9.390 24.102 1.00 0.00 C ATOM 796 OD1 ASN A 52 -28.156 -8.869 23.010 1.00 0.00 O ATOM 797 ND2 ASN A 52 -27.922 -8.886 25.243 1.00 0.00 N ATOM 0 H ASN A 52 -31.123 -12.181 23.950 1.00 0.00 H new ATOM 0 HA ASN A 52 -29.963 -10.324 22.224 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -30.077 -10.471 24.831 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -28.617 -11.431 24.703 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -27.362 -8.034 25.236 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -28.131 -9.351 26.126 1.00 0.00 H new ATOM 804 N LEU A 53 -28.271 -13.135 22.532 1.00 0.00 N ATOM 805 CA LEU A 53 -27.198 -13.931 21.944 1.00 0.00 C ATOM 806 C LEU A 53 -27.427 -14.134 20.450 1.00 0.00 C ATOM 807 O LEU A 53 -26.494 -14.056 19.653 1.00 0.00 O ATOM 808 CB LEU A 53 -27.099 -15.286 22.646 1.00 0.00 C ATOM 809 CG LEU A 53 -26.124 -16.291 22.030 1.00 0.00 C ATOM 810 CD1 LEU A 53 -24.697 -15.775 22.123 1.00 0.00 C ATOM 811 CD2 LEU A 53 -26.250 -17.644 22.714 1.00 0.00 C ATOM 0 H LEU A 53 -28.807 -13.617 23.253 1.00 0.00 H new ATOM 0 HA LEU A 53 -26.261 -13.390 22.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.807 -15.115 23.682 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -28.091 -15.737 22.664 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.376 -16.414 20.977 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.017 -16.503 21.680 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.616 -14.830 21.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.433 -15.622 23.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -25.549 -18.346 22.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.025 -17.538 23.775 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -27.267 -18.019 22.595 1.00 0.00 H new ATOM 823 N ASN A 54 -28.677 -14.394 20.078 1.00 0.00 N ATOM 824 CA ASN A 54 -29.029 -14.607 18.679 1.00 0.00 C ATOM 825 C ASN A 54 -28.592 -13.423 17.821 1.00 0.00 C ATOM 826 O ASN A 54 -28.097 -13.597 16.708 1.00 0.00 O ATOM 827 CB ASN A 54 -30.537 -14.824 18.538 1.00 0.00 C ATOM 828 CG ASN A 54 -30.981 -14.877 17.089 1.00 0.00 C ATOM 829 OD1 ASN A 54 -30.217 -15.274 16.208 1.00 0.00 O ATOM 830 ND2 ASN A 54 -32.221 -14.476 16.835 1.00 0.00 N ATOM 0 H ASN A 54 -29.462 -14.462 20.726 1.00 0.00 H new ATOM 0 HA ASN A 54 -28.506 -15.498 18.331 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -30.815 -15.753 19.035 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -31.066 -14.019 19.048 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -32.575 -14.489 15.879 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -32.819 -14.155 17.596 1.00 0.00 H new ATOM 837 N VAL A 55 -28.780 -12.217 18.348 1.00 0.00 N ATOM 838 CA VAL A 55 -28.404 -11.003 17.633 1.00 0.00 C ATOM 839 C VAL A 55 -26.891 -10.909 17.467 1.00 0.00 C ATOM 840 O VAL A 55 -26.394 -10.545 16.401 1.00 0.00 O ATOM 841 CB VAL A 55 -28.909 -9.743 18.361 1.00 0.00 C ATOM 842 CG1 VAL A 55 -28.440 -8.487 17.643 1.00 0.00 C ATOM 843 CG2 VAL A 55 -30.426 -9.767 18.476 1.00 0.00 C ATOM 0 H VAL A 55 -29.190 -12.055 19.268 1.00 0.00 H new ATOM 0 HA VAL A 55 -28.872 -11.057 16.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -28.491 -9.734 19.368 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -28.807 -7.607 18.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -27.350 -8.468 17.618 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -28.826 -8.485 16.624 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -30.766 -8.870 18.993 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -30.866 -9.800 17.479 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -30.734 -10.648 19.038 1.00 0.00 H new ATOM 853 N HIS A 56 -26.164 -11.239 18.530 1.00 0.00 N ATOM 854 CA HIS A 56 -24.706 -11.192 18.502 1.00 0.00 C ATOM 855 C HIS A 56 -24.157 -12.048 17.364 1.00 0.00 C ATOM 856 O HIS A 56 -23.297 -11.606 16.600 1.00 0.00 O ATOM 857 CB HIS A 56 -24.134 -11.671 19.837 1.00 0.00 C ATOM 858 CG HIS A 56 -22.755 -12.244 19.726 1.00 0.00 C ATOM 859 ND1 HIS A 56 -21.617 -11.466 19.695 1.00 0.00 N ATOM 860 CD2 HIS A 56 -22.334 -13.527 19.641 1.00 0.00 C ATOM 861 CE1 HIS A 56 -20.555 -12.246 19.594 1.00 0.00 C ATOM 862 NE2 HIS A 56 -20.963 -13.502 19.560 1.00 0.00 N ATOM 0 H HIS A 56 -26.560 -11.541 19.420 1.00 0.00 H new ATOM 0 HA HIS A 56 -24.403 -10.158 18.335 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -24.116 -10.835 20.536 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -24.799 -12.425 20.258 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -21.598 -10.447 19.743 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -22.960 -14.407 19.637 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -19.529 -11.913 19.547 1.00 0.00 H new ATOM 870 N LEU A 57 -24.658 -13.273 17.257 1.00 0.00 N ATOM 871 CA LEU A 57 -24.217 -14.191 16.212 1.00 0.00 C ATOM 872 C LEU A 57 -24.214 -13.505 14.850 1.00 0.00 C ATOM 873 O LEU A 57 -23.241 -13.595 14.101 1.00 0.00 O ATOM 874 CB LEU A 57 -25.123 -15.423 16.173 1.00 0.00 C ATOM 875 CG LEU A 57 -25.060 -16.342 17.394 1.00 0.00 C ATOM 876 CD1 LEU A 57 -26.322 -17.184 17.494 1.00 0.00 C ATOM 877 CD2 LEU A 57 -23.827 -17.231 17.329 1.00 0.00 C ATOM 0 H LEU A 57 -25.370 -13.654 17.880 1.00 0.00 H new ATOM 0 HA LEU A 57 -23.199 -14.503 16.443 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -26.153 -15.088 16.048 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -24.869 -16.008 15.289 1.00 0.00 H new ATOM 0 HG LEU A 57 -24.990 -15.722 18.288 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -26.259 -17.831 18.369 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -27.189 -16.530 17.588 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -26.424 -17.795 16.597 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -23.798 -17.878 18.206 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -23.867 -17.843 16.428 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -22.931 -16.610 17.307 1.00 0.00 H new ATOM 889 N ARG A 58 -25.307 -12.818 14.536 1.00 0.00 N ATOM 890 CA ARG A 58 -25.430 -12.116 13.265 1.00 0.00 C ATOM 891 C ARG A 58 -24.188 -11.273 12.987 1.00 0.00 C ATOM 892 O ARG A 58 -23.836 -11.028 11.833 1.00 0.00 O ATOM 893 CB ARG A 58 -26.674 -11.225 13.268 1.00 0.00 C ATOM 894 CG ARG A 58 -27.979 -12.001 13.337 1.00 0.00 C ATOM 895 CD ARG A 58 -29.130 -11.115 13.786 1.00 0.00 C ATOM 896 NE ARG A 58 -29.577 -10.219 12.723 1.00 0.00 N ATOM 897 CZ ARG A 58 -30.526 -9.303 12.884 1.00 0.00 C ATOM 898 NH1 ARG A 58 -31.124 -9.163 14.059 1.00 0.00 N ATOM 899 NH2 ARG A 58 -30.878 -8.524 11.869 1.00 0.00 N ATOM 0 H ARG A 58 -26.121 -12.733 15.145 1.00 0.00 H new ATOM 0 HA ARG A 58 -25.527 -12.861 12.475 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -26.621 -10.544 14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -26.673 -10.611 12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -28.204 -12.424 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -27.871 -12.837 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -29.963 -11.739 14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -28.819 -10.527 14.649 1.00 0.00 H new ATOM 0 HE ARG A 58 -29.137 -10.301 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -30.856 -9.759 14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -31.852 -8.459 14.180 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -30.420 -8.628 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -31.607 -7.821 11.994 1.00 0.00 H new ATOM 913 N LYS A 59 -23.529 -10.832 14.053 1.00 0.00 N ATOM 914 CA LYS A 59 -22.326 -10.018 13.926 1.00 0.00 C ATOM 915 C LYS A 59 -21.181 -10.828 13.325 1.00 0.00 C ATOM 916 O LYS A 59 -20.479 -10.359 12.429 1.00 0.00 O ATOM 917 CB LYS A 59 -21.912 -9.466 15.292 1.00 0.00 C ATOM 918 CG LYS A 59 -23.025 -8.723 16.010 1.00 0.00 C ATOM 919 CD LYS A 59 -22.477 -7.802 17.087 1.00 0.00 C ATOM 920 CE LYS A 59 -22.165 -6.420 16.532 1.00 0.00 C ATOM 921 NZ LYS A 59 -21.109 -5.730 17.323 1.00 0.00 N ATOM 0 H LYS A 59 -23.808 -11.025 15.015 1.00 0.00 H new ATOM 0 HA LYS A 59 -22.550 -9.187 13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -21.573 -10.290 15.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.064 -8.794 15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.599 -8.140 15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -23.712 -9.440 16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.202 -7.715 17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.573 -8.237 17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.842 -6.510 15.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.072 -5.815 16.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.925 -4.792 16.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.428 -5.621 18.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.235 -6.294 17.302 1.00 0.00 H new ATOM 935 N HIS A 60 -21.000 -12.047 13.823 1.00 0.00 N ATOM 936 CA HIS A 60 -19.941 -12.923 13.334 1.00 0.00 C ATOM 937 C HIS A 60 -19.842 -12.858 11.813 1.00 0.00 C ATOM 938 O HIS A 60 -18.751 -12.731 11.255 1.00 0.00 O ATOM 939 CB HIS A 60 -20.196 -14.363 13.778 1.00 0.00 C ATOM 940 CG HIS A 60 -19.586 -14.697 15.105 1.00 0.00 C ATOM 941 ND1 HIS A 60 -18.226 -14.818 15.299 1.00 0.00 N ATOM 942 CD2 HIS A 60 -20.159 -14.935 16.308 1.00 0.00 C ATOM 943 CE1 HIS A 60 -17.989 -15.117 16.564 1.00 0.00 C ATOM 944 NE2 HIS A 60 -19.146 -15.193 17.198 1.00 0.00 N ATOM 0 H HIS A 60 -21.573 -12.451 14.564 1.00 0.00 H new ATOM 0 HA HIS A 60 -18.996 -12.582 13.758 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -21.271 -14.534 13.828 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -19.800 -15.043 13.024 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -17.514 -14.696 14.579 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -21.217 -14.924 16.527 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -17.015 -15.273 17.005 1.00 0.00 H new ATOM 952 N THR A 61 -20.989 -12.946 11.145 1.00 0.00 N ATOM 953 CA THR A 61 -21.031 -12.899 9.689 1.00 0.00 C ATOM 954 C THR A 61 -19.987 -11.934 9.140 1.00 0.00 C ATOM 955 O THR A 61 -19.338 -12.213 8.132 1.00 0.00 O ATOM 956 CB THR A 61 -22.423 -12.477 9.181 1.00 0.00 C ATOM 957 OG1 THR A 61 -22.674 -11.109 9.522 1.00 0.00 O ATOM 958 CG2 THR A 61 -23.508 -13.361 9.777 1.00 0.00 C ATOM 0 H THR A 61 -21.901 -13.050 11.590 1.00 0.00 H new ATOM 0 HA THR A 61 -20.813 -13.906 9.333 1.00 0.00 H new ATOM 0 HB THR A 61 -22.440 -12.590 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 61 -23.042 -11.060 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 61 -24.482 -13.044 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 61 -23.330 -14.398 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 61 -23.491 -13.276 10.864 1.00 0.00 H new ATOM 966 N GLY A 62 -19.830 -10.796 9.809 1.00 0.00 N ATOM 967 CA GLY A 62 -18.862 -9.806 9.372 1.00 0.00 C ATOM 968 C GLY A 62 -17.955 -9.347 10.496 1.00 0.00 C ATOM 969 O GLY A 62 -18.105 -9.779 11.638 1.00 0.00 O ATOM 0 H GLY A 62 -20.355 -10.542 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -18.256 -10.225 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.388 -8.945 8.959 1.00 0.00 H new ATOM 973 N GLU A 63 -17.009 -8.471 10.171 1.00 0.00 N ATOM 974 CA GLU A 63 -16.072 -7.956 11.162 1.00 0.00 C ATOM 975 C GLU A 63 -15.184 -6.871 10.560 1.00 0.00 C ATOM 976 O GLU A 63 -14.864 -6.903 9.372 1.00 0.00 O ATOM 977 CB GLU A 63 -15.206 -9.090 11.715 1.00 0.00 C ATOM 978 CG GLU A 63 -14.058 -9.481 10.800 1.00 0.00 C ATOM 979 CD GLU A 63 -14.487 -10.429 9.698 1.00 0.00 C ATOM 980 OE1 GLU A 63 -14.879 -11.571 10.015 1.00 0.00 O ATOM 981 OE2 GLU A 63 -14.431 -10.027 8.516 1.00 0.00 O ATOM 0 H GLU A 63 -16.872 -8.104 9.229 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.649 -7.518 11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.803 -8.789 12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.834 -9.964 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.631 -8.582 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.271 -9.949 11.391 1.00 0.00 H new ATOM 988 N LYS A 64 -14.791 -5.910 11.389 1.00 0.00 N ATOM 989 CA LYS A 64 -13.940 -4.814 10.941 1.00 0.00 C ATOM 990 C LYS A 64 -12.693 -4.702 11.812 1.00 0.00 C ATOM 991 O LYS A 64 -12.747 -4.921 13.022 1.00 0.00 O ATOM 992 CB LYS A 64 -14.714 -3.495 10.969 1.00 0.00 C ATOM 993 CG LYS A 64 -15.537 -3.245 9.717 1.00 0.00 C ATOM 994 CD LYS A 64 -15.985 -1.796 9.623 1.00 0.00 C ATOM 995 CE LYS A 64 -16.130 -1.350 8.176 1.00 0.00 C ATOM 996 NZ LYS A 64 -16.583 0.065 8.075 1.00 0.00 N ATOM 0 H LYS A 64 -15.048 -5.868 12.375 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.629 -5.024 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.376 -3.490 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.010 -2.673 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.948 -3.502 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.410 -3.897 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.937 -1.674 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.263 -1.157 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.175 -1.463 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.844 -1.997 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.670 0.331 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.507 0.168 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.889 0.686 8.539 1.00 0.00 H new ATOM 1010 N PHE A 65 -11.570 -4.359 11.189 1.00 0.00 N ATOM 1011 CA PHE A 65 -10.309 -4.218 11.908 1.00 0.00 C ATOM 1012 C PHE A 65 -9.796 -2.783 11.829 1.00 0.00 C ATOM 1013 O PHE A 65 -9.392 -2.315 10.765 1.00 0.00 O ATOM 1014 CB PHE A 65 -9.263 -5.178 11.339 1.00 0.00 C ATOM 1015 CG PHE A 65 -9.663 -6.623 11.429 1.00 0.00 C ATOM 1016 CD1 PHE A 65 -10.390 -7.219 10.412 1.00 0.00 C ATOM 1017 CD2 PHE A 65 -9.312 -7.385 12.532 1.00 0.00 C ATOM 1018 CE1 PHE A 65 -10.760 -8.548 10.491 1.00 0.00 C ATOM 1019 CE2 PHE A 65 -9.679 -8.715 12.617 1.00 0.00 C ATOM 1020 CZ PHE A 65 -10.405 -9.297 11.596 1.00 0.00 C ATOM 0 H PHE A 65 -11.508 -4.174 10.188 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.486 -4.465 12.955 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.079 -4.925 10.295 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.323 -5.036 11.872 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.671 -6.638 9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.746 -6.935 13.334 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.326 -9.000 9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.398 -9.299 13.481 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.694 -10.335 11.662 1.00 0.00 H new ATOM 1030 N ALA A 66 -9.815 -2.091 12.963 1.00 0.00 N ATOM 1031 CA ALA A 66 -9.351 -0.710 13.024 1.00 0.00 C ATOM 1032 C ALA A 66 -7.879 -0.643 13.416 1.00 0.00 C ATOM 1033 O ALA A 66 -7.436 -1.345 14.326 1.00 0.00 O ATOM 1034 CB ALA A 66 -10.197 0.089 14.004 1.00 0.00 C ATOM 0 H ALA A 66 -10.147 -2.464 13.852 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.456 -0.273 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.839 1.118 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.238 0.078 13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.121 -0.355 14.996 1.00 0.00 H new ATOM 1040 N CYS A 67 -7.125 0.204 12.724 1.00 0.00 N ATOM 1041 CA CYS A 67 -5.702 0.363 12.999 1.00 0.00 C ATOM 1042 C CYS A 67 -5.479 0.945 14.392 1.00 0.00 C ATOM 1043 O CYS A 67 -6.198 1.847 14.822 1.00 0.00 O ATOM 1044 CB CYS A 67 -5.056 1.267 11.947 1.00 0.00 C ATOM 1045 SG CYS A 67 -3.237 1.320 12.030 1.00 0.00 S ATOM 0 H CYS A 67 -7.476 0.792 11.968 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.237 -0.622 12.957 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.354 0.924 10.956 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.444 2.279 12.065 1.00 0.00 H new ATOM 1050 N ASP A 68 -4.478 0.423 15.092 1.00 0.00 N ATOM 1051 CA ASP A 68 -4.158 0.891 16.435 1.00 0.00 C ATOM 1052 C ASP A 68 -3.407 2.218 16.384 1.00 0.00 C ATOM 1053 O ASP A 68 -3.415 2.985 17.347 1.00 0.00 O ATOM 1054 CB ASP A 68 -3.323 -0.154 17.177 1.00 0.00 C ATOM 1055 CG ASP A 68 -3.825 -1.566 16.948 1.00 0.00 C ATOM 1056 OD1 ASP A 68 -5.054 -1.745 16.814 1.00 0.00 O ATOM 1057 OD2 ASP A 68 -2.989 -2.492 16.901 1.00 0.00 O ATOM 0 H ASP A 68 -3.874 -0.325 14.751 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.094 1.045 16.972 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.285 -0.083 16.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.338 0.065 18.245 1.00 0.00 H new ATOM 1062 N TYR A 69 -2.758 2.481 15.256 1.00 0.00 N ATOM 1063 CA TYR A 69 -1.999 3.713 15.080 1.00 0.00 C ATOM 1064 C TYR A 69 -2.892 4.833 14.555 1.00 0.00 C ATOM 1065 O TYR A 69 -2.937 5.925 15.123 1.00 0.00 O ATOM 1066 CB TYR A 69 -0.830 3.485 14.120 1.00 0.00 C ATOM 1067 CG TYR A 69 0.305 2.692 14.725 1.00 0.00 C ATOM 1068 CD1 TYR A 69 0.192 1.322 14.928 1.00 0.00 C ATOM 1069 CD2 TYR A 69 1.493 3.312 15.094 1.00 0.00 C ATOM 1070 CE1 TYR A 69 1.226 0.594 15.482 1.00 0.00 C ATOM 1071 CE2 TYR A 69 2.534 2.591 15.647 1.00 0.00 C ATOM 1072 CZ TYR A 69 2.395 1.233 15.839 1.00 0.00 C ATOM 1073 OH TYR A 69 3.429 0.510 16.390 1.00 0.00 O ATOM 0 H TYR A 69 -2.742 1.857 14.449 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.608 4.010 16.053 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.194 2.964 13.235 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.450 4.451 13.788 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.721 0.818 14.647 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.604 4.376 14.946 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.120 -0.470 15.635 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.451 3.088 15.927 1.00 0.00 H new ATOM 0 HH TYR A 69 4.180 1.109 16.584 1.00 0.00 H new ATOM 1083 N CYS A 70 -3.602 4.554 13.467 1.00 0.00 N ATOM 1084 CA CYS A 70 -4.495 5.536 12.864 1.00 0.00 C ATOM 1085 C CYS A 70 -5.938 5.040 12.879 1.00 0.00 C ATOM 1086 O CYS A 70 -6.230 3.964 13.400 1.00 0.00 O ATOM 1087 CB CYS A 70 -4.062 5.834 11.427 1.00 0.00 C ATOM 1088 SG CYS A 70 -4.350 4.463 10.263 1.00 0.00 S ATOM 0 H CYS A 70 -3.576 3.656 12.985 1.00 0.00 H new ATOM 0 HA CYS A 70 -4.438 6.452 13.452 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.597 6.715 11.073 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.001 6.083 11.423 1.00 0.00 H new ATOM 1093 N SER A 71 -6.837 5.834 12.305 1.00 0.00 N ATOM 1094 CA SER A 71 -8.250 5.478 12.256 1.00 0.00 C ATOM 1095 C SER A 71 -8.585 4.764 10.950 1.00 0.00 C ATOM 1096 O SER A 71 -9.679 4.922 10.406 1.00 0.00 O ATOM 1097 CB SER A 71 -9.118 6.729 12.404 1.00 0.00 C ATOM 1098 OG SER A 71 -10.359 6.420 13.013 1.00 0.00 O ATOM 0 H SER A 71 -6.612 6.728 11.868 1.00 0.00 H new ATOM 0 HA SER A 71 -8.458 4.800 13.084 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.591 7.472 13.002 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.291 7.173 11.424 1.00 0.00 H new ATOM 0 HG SER A 71 -10.894 7.237 13.097 1.00 0.00 H new ATOM 1104 N PHE A 72 -7.636 3.979 10.452 1.00 0.00 N ATOM 1105 CA PHE A 72 -7.829 3.241 9.209 1.00 0.00 C ATOM 1106 C PHE A 72 -8.637 1.969 9.451 1.00 0.00 C ATOM 1107 O PHE A 72 -8.266 1.131 10.274 1.00 0.00 O ATOM 1108 CB PHE A 72 -6.477 2.889 8.585 1.00 0.00 C ATOM 1109 CG PHE A 72 -6.569 1.854 7.500 1.00 0.00 C ATOM 1110 CD1 PHE A 72 -7.234 2.129 6.317 1.00 0.00 C ATOM 1111 CD2 PHE A 72 -5.989 0.606 7.664 1.00 0.00 C ATOM 1112 CE1 PHE A 72 -7.320 1.180 5.316 1.00 0.00 C ATOM 1113 CE2 PHE A 72 -6.072 -0.347 6.667 1.00 0.00 C ATOM 1114 CZ PHE A 72 -6.739 -0.061 5.492 1.00 0.00 C ATOM 0 H PHE A 72 -6.726 3.837 10.890 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.385 3.878 8.520 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.028 3.794 8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.809 2.527 9.366 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.691 3.097 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.467 0.376 8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.841 1.408 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.615 -1.316 6.807 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.806 -0.806 4.713 1.00 0.00 H new ATOM 1124 N THR A 73 -9.745 1.832 8.729 1.00 0.00 N ATOM 1125 CA THR A 73 -10.606 0.665 8.866 1.00 0.00 C ATOM 1126 C THR A 73 -10.586 -0.185 7.601 1.00 0.00 C ATOM 1127 O THR A 73 -10.649 0.339 6.488 1.00 0.00 O ATOM 1128 CB THR A 73 -12.060 1.073 9.173 1.00 0.00 C ATOM 1129 OG1 THR A 73 -12.550 1.945 8.149 1.00 0.00 O ATOM 1130 CG2 THR A 73 -12.154 1.764 10.524 1.00 0.00 C ATOM 0 H THR A 73 -10.067 2.515 8.043 1.00 0.00 H new ATOM 0 HA THR A 73 -10.216 0.081 9.699 1.00 0.00 H new ATOM 0 HB THR A 73 -12.670 0.170 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.475 2.199 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.190 2.043 10.719 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.808 1.086 11.304 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.532 2.659 10.519 1.00 0.00 H new ATOM 1138 N CYS A 74 -10.497 -1.499 7.778 1.00 0.00 N ATOM 1139 CA CYS A 74 -10.468 -2.422 6.649 1.00 0.00 C ATOM 1140 C CYS A 74 -11.339 -3.643 6.923 1.00 0.00 C ATOM 1141 O CYS A 74 -11.862 -3.812 8.025 1.00 0.00 O ATOM 1142 CB CYS A 74 -9.032 -2.860 6.358 1.00 0.00 C ATOM 1143 SG CYS A 74 -8.331 -3.965 7.605 1.00 0.00 S ATOM 0 H CYS A 74 -10.444 -1.949 8.692 1.00 0.00 H new ATOM 0 HA CYS A 74 -10.865 -1.903 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.005 -3.359 5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.402 -1.974 6.278 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.985 -5.086 7.046 1.00 0.00 H new ATOM 1149 N LEU A 75 -11.494 -4.492 5.912 1.00 0.00 N ATOM 1150 CA LEU A 75 -12.304 -5.698 6.043 1.00 0.00 C ATOM 1151 C LEU A 75 -11.447 -6.950 5.882 1.00 0.00 C ATOM 1152 O LEU A 75 -11.888 -7.947 5.312 1.00 0.00 O ATOM 1153 CB LEU A 75 -13.426 -5.698 5.004 1.00 0.00 C ATOM 1154 CG LEU A 75 -14.724 -5.004 5.418 1.00 0.00 C ATOM 1155 CD1 LEU A 75 -15.279 -5.625 6.691 1.00 0.00 C ATOM 1156 CD2 LEU A 75 -14.495 -3.511 5.607 1.00 0.00 C ATOM 0 H LEU A 75 -11.069 -4.367 4.993 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.741 -5.705 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.055 -5.220 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.656 -6.732 4.747 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.456 -5.141 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.203 -5.118 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.482 -6.682 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.550 -5.520 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.430 -3.034 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.747 -3.353 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.144 -3.075 4.671 1.00 0.00 H new ATOM 1168 N SER A 76 -10.220 -6.890 6.391 1.00 0.00 N ATOM 1169 CA SER A 76 -9.300 -8.018 6.302 1.00 0.00 C ATOM 1170 C SER A 76 -8.058 -7.774 7.153 1.00 0.00 C ATOM 1171 O SER A 76 -7.290 -6.845 6.901 1.00 0.00 O ATOM 1172 CB SER A 76 -8.896 -8.260 4.847 1.00 0.00 C ATOM 1173 OG SER A 76 -8.283 -7.110 4.289 1.00 0.00 O ATOM 0 H SER A 76 -9.840 -6.073 6.869 1.00 0.00 H new ATOM 0 HA SER A 76 -9.811 -8.903 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.209 -9.104 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.776 -8.527 4.262 1.00 0.00 H new ATOM 0 HG SER A 76 -8.460 -7.080 3.326 1.00 0.00 H new ATOM 1179 N LYS A 77 -7.866 -8.615 8.164 1.00 0.00 N ATOM 1180 CA LYS A 77 -6.717 -8.494 9.053 1.00 0.00 C ATOM 1181 C LYS A 77 -5.443 -8.220 8.262 1.00 0.00 C ATOM 1182 O LYS A 77 -4.713 -7.273 8.551 1.00 0.00 O ATOM 1183 CB LYS A 77 -6.551 -9.770 9.882 1.00 0.00 C ATOM 1184 CG LYS A 77 -5.371 -9.726 10.837 1.00 0.00 C ATOM 1185 CD LYS A 77 -5.644 -8.812 12.019 1.00 0.00 C ATOM 1186 CE LYS A 77 -4.375 -8.527 12.808 1.00 0.00 C ATOM 1187 NZ LYS A 77 -4.666 -8.227 14.238 1.00 0.00 N ATOM 0 H LYS A 77 -8.492 -9.388 8.388 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.895 -7.653 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.463 -9.944 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.431 -10.618 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.155 -10.732 11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.484 -9.380 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.071 -7.874 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.385 -9.272 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.708 -9.387 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.850 -7.683 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.776 -8.038 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.282 -7.391 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.144 -9.042 14.673 1.00 0.00 H new ATOM 1201 N GLY A 78 -5.182 -9.055 7.260 1.00 0.00 N ATOM 1202 CA GLY A 78 -3.996 -8.884 6.442 1.00 0.00 C ATOM 1203 C GLY A 78 -3.748 -7.435 6.075 1.00 0.00 C ATOM 1204 O GLY A 78 -2.737 -6.851 6.468 1.00 0.00 O ATOM 0 H GLY A 78 -5.771 -9.846 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.130 -9.273 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.099 -9.474 5.531 1.00 0.00 H new ATOM 1208 N HIS A 79 -4.672 -6.851 5.318 1.00 0.00 N ATOM 1209 CA HIS A 79 -4.549 -5.460 4.897 1.00 0.00 C ATOM 1210 C HIS A 79 -4.075 -4.583 6.051 1.00 0.00 C ATOM 1211 O HIS A 79 -3.124 -3.813 5.910 1.00 0.00 O ATOM 1212 CB HIS A 79 -5.887 -4.946 4.365 1.00 0.00 C ATOM 1213 CG HIS A 79 -6.209 -5.429 2.984 1.00 0.00 C ATOM 1214 ND1 HIS A 79 -7.015 -4.730 2.111 1.00 0.00 N ATOM 1215 CD2 HIS A 79 -5.826 -6.548 2.326 1.00 0.00 C ATOM 1216 CE1 HIS A 79 -7.116 -5.399 0.977 1.00 0.00 C ATOM 1217 NE2 HIS A 79 -6.403 -6.506 1.081 1.00 0.00 N ATOM 0 H HIS A 79 -5.514 -7.320 4.984 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.807 -5.411 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.682 -5.256 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.874 -3.856 4.366 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.186 -7.329 2.709 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.685 -5.093 0.112 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.298 -7.214 0.355 1.00 0.00 H new ATOM 1225 N LEU A 80 -4.745 -4.704 7.193 1.00 0.00 N ATOM 1226 CA LEU A 80 -4.393 -3.921 8.372 1.00 0.00 C ATOM 1227 C LEU A 80 -2.918 -4.093 8.720 1.00 0.00 C ATOM 1228 O LEU A 80 -2.191 -3.115 8.894 1.00 0.00 O ATOM 1229 CB LEU A 80 -5.261 -4.336 9.561 1.00 0.00 C ATOM 1230 CG LEU A 80 -4.653 -4.113 10.946 1.00 0.00 C ATOM 1231 CD1 LEU A 80 -4.604 -2.629 11.276 1.00 0.00 C ATOM 1232 CD2 LEU A 80 -5.443 -4.870 12.004 1.00 0.00 C ATOM 0 H LEU A 80 -5.534 -5.336 7.327 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.574 -2.870 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.202 -3.789 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.501 -5.394 9.458 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.633 -4.496 10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.168 -2.490 12.265 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.994 -2.112 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.614 -2.220 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.996 -4.700 12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.474 -4.517 12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.425 -5.936 11.778 1.00 0.00 H new ATOM 1244 N LYS A 81 -2.481 -5.344 8.818 1.00 0.00 N ATOM 1245 CA LYS A 81 -1.092 -5.647 9.142 1.00 0.00 C ATOM 1246 C LYS A 81 -0.145 -5.000 8.135 1.00 0.00 C ATOM 1247 O LYS A 81 0.711 -4.195 8.502 1.00 0.00 O ATOM 1248 CB LYS A 81 -0.870 -7.161 9.166 1.00 0.00 C ATOM 1249 CG LYS A 81 0.428 -7.575 9.836 1.00 0.00 C ATOM 1250 CD LYS A 81 0.363 -9.006 10.343 1.00 0.00 C ATOM 1251 CE LYS A 81 1.751 -9.565 10.616 1.00 0.00 C ATOM 1252 NZ LYS A 81 1.698 -10.978 11.081 1.00 0.00 N ATOM 0 H LYS A 81 -3.069 -6.165 8.677 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.879 -5.239 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.704 -7.634 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.877 -7.537 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.251 -7.476 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.640 -6.903 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.231 -9.043 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.144 -9.631 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.352 -9.504 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.247 -8.953 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.664 -11.322 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.146 -11.034 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.248 -11.567 10.352 1.00 0.00 H new ATOM 1266 N VAL A 82 -0.306 -5.356 6.865 1.00 0.00 N ATOM 1267 CA VAL A 82 0.532 -4.808 5.805 1.00 0.00 C ATOM 1268 C VAL A 82 0.406 -3.291 5.734 1.00 0.00 C ATOM 1269 O VAL A 82 1.326 -2.600 5.294 1.00 0.00 O ATOM 1270 CB VAL A 82 0.167 -5.408 4.434 1.00 0.00 C ATOM 1271 CG1 VAL A 82 -1.240 -4.996 4.028 1.00 0.00 C ATOM 1272 CG2 VAL A 82 1.180 -4.985 3.381 1.00 0.00 C ATOM 0 H VAL A 82 -1.009 -6.022 6.545 1.00 0.00 H new ATOM 0 HA VAL A 82 1.561 -5.073 6.046 1.00 0.00 H new ATOM 0 HB VAL A 82 0.192 -6.495 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.480 -5.429 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.953 -5.354 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.297 -3.909 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.907 -5.418 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.189 -3.898 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.171 -5.336 3.668 1.00 0.00 H new ATOM 1282 N HIS A 83 -0.740 -2.777 6.169 1.00 0.00 N ATOM 1283 CA HIS A 83 -0.987 -1.339 6.156 1.00 0.00 C ATOM 1284 C HIS A 83 -0.060 -0.620 7.131 1.00 0.00 C ATOM 1285 O HIS A 83 0.390 0.495 6.866 1.00 0.00 O ATOM 1286 CB HIS A 83 -2.445 -1.048 6.510 1.00 0.00 C ATOM 1287 CG HIS A 83 -2.646 0.277 7.179 1.00 0.00 C ATOM 1288 ND1 HIS A 83 -2.826 1.453 6.482 1.00 0.00 N ATOM 1289 CD2 HIS A 83 -2.696 0.608 8.491 1.00 0.00 C ATOM 1290 CE1 HIS A 83 -2.976 2.450 7.336 1.00 0.00 C ATOM 1291 NE2 HIS A 83 -2.902 1.964 8.562 1.00 0.00 N ATOM 0 H HIS A 83 -1.512 -3.334 6.535 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.785 -0.969 5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.045 -1.081 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.816 -1.836 7.165 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.841 1.540 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.593 -0.069 9.326 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.133 3.486 7.076 1.00 0.00 H new ATOM 1299 N ILE A 84 0.219 -1.264 8.259 1.00 0.00 N ATOM 1300 CA ILE A 84 1.092 -0.685 9.273 1.00 0.00 C ATOM 1301 C ILE A 84 2.558 -0.807 8.870 1.00 0.00 C ATOM 1302 O ILE A 84 3.385 0.022 9.249 1.00 0.00 O ATOM 1303 CB ILE A 84 0.889 -1.361 10.642 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.547 -1.156 11.129 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.882 -0.811 11.656 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.012 -2.217 12.101 1.00 0.00 C ATOM 0 H ILE A 84 -0.147 -2.187 8.494 1.00 0.00 H new ATOM 0 HA ILE A 84 0.827 0.369 9.355 1.00 0.00 H new ATOM 0 HB ILE A 84 1.066 -2.431 10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.624 -0.179 11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.216 -1.145 10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.726 -1.298 12.619 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.898 -1.004 11.312 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.734 0.263 11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.038 -2.008 12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.967 -3.195 11.621 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.367 -2.214 12.979 1.00 0.00 H new ATOM 1318 N GLU A 85 2.870 -1.844 8.100 1.00 0.00 N ATOM 1319 CA GLU A 85 4.237 -2.072 7.645 1.00 0.00 C ATOM 1320 C GLU A 85 4.555 -1.213 6.424 1.00 0.00 C ATOM 1321 O GLU A 85 5.719 -0.945 6.127 1.00 0.00 O ATOM 1322 CB GLU A 85 4.447 -3.550 7.311 1.00 0.00 C ATOM 1323 CG GLU A 85 4.887 -4.387 8.501 1.00 0.00 C ATOM 1324 CD GLU A 85 6.383 -4.316 8.741 1.00 0.00 C ATOM 1325 OE1 GLU A 85 7.021 -3.369 8.234 1.00 0.00 O ATOM 1326 OE2 GLU A 85 6.916 -5.208 9.434 1.00 0.00 O ATOM 0 H GLU A 85 2.196 -2.539 7.778 1.00 0.00 H new ATOM 0 HA GLU A 85 4.913 -1.790 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.518 -3.959 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.195 -3.633 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.363 -4.047 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.598 -5.425 8.338 1.00 0.00 H new ATOM 1333 N ARG A 86 3.511 -0.786 5.721 1.00 0.00 N ATOM 1334 CA ARG A 86 3.679 0.041 4.532 1.00 0.00 C ATOM 1335 C ARG A 86 3.435 1.513 4.854 1.00 0.00 C ATOM 1336 O ARG A 86 4.219 2.381 4.470 1.00 0.00 O ATOM 1337 CB ARG A 86 2.722 -0.416 3.429 1.00 0.00 C ATOM 1338 CG ARG A 86 3.213 -1.634 2.664 1.00 0.00 C ATOM 1339 CD ARG A 86 2.506 -1.773 1.324 1.00 0.00 C ATOM 1340 NE ARG A 86 3.199 -1.048 0.262 1.00 0.00 N ATOM 1341 CZ ARG A 86 2.879 -1.145 -1.023 1.00 0.00 C ATOM 1342 NH1 ARG A 86 1.882 -1.931 -1.404 1.00 0.00 N ATOM 1343 NH2 ARG A 86 3.557 -0.454 -1.931 1.00 0.00 N ATOM 0 H ARG A 86 2.541 -0.999 5.954 1.00 0.00 H new ATOM 0 HA ARG A 86 4.706 -0.071 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.752 -0.642 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.569 0.405 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.288 -1.555 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.045 -2.531 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.438 -2.828 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.486 -1.400 1.412 1.00 0.00 H new ATOM 0 HE ARG A 86 3.971 -0.434 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.358 -2.463 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.639 -2.003 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.325 0.152 -1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.310 -0.529 -2.918 1.00 0.00 H new ATOM 1357 N VAL A 87 2.343 1.785 5.561 1.00 0.00 N ATOM 1358 CA VAL A 87 1.996 3.151 5.935 1.00 0.00 C ATOM 1359 C VAL A 87 2.837 3.629 7.113 1.00 0.00 C ATOM 1360 O VAL A 87 3.614 4.577 6.992 1.00 0.00 O ATOM 1361 CB VAL A 87 0.505 3.271 6.301 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.151 4.712 6.634 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.365 2.749 5.168 1.00 0.00 C ATOM 0 H VAL A 87 1.684 1.078 5.886 1.00 0.00 H new ATOM 0 HA VAL A 87 2.201 3.778 5.068 1.00 0.00 H new ATOM 0 HB VAL A 87 0.316 2.662 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.907 4.777 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.751 5.048 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.355 5.346 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.416 2.841 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.174 3.330 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.130 1.701 4.982 1.00 0.00 H new ATOM 1373 N HIS A 88 2.678 2.966 8.254 1.00 0.00 N ATOM 1374 CA HIS A 88 3.424 3.321 9.456 1.00 0.00 C ATOM 1375 C HIS A 88 4.846 2.770 9.396 1.00 0.00 C ATOM 1376 O HIS A 88 5.524 2.660 10.418 1.00 0.00 O ATOM 1377 CB HIS A 88 2.711 2.791 10.700 1.00 0.00 C ATOM 1378 CG HIS A 88 1.304 3.286 10.841 1.00 0.00 C ATOM 1379 ND1 HIS A 88 0.982 4.624 10.923 1.00 0.00 N ATOM 1380 CD2 HIS A 88 0.132 2.613 10.912 1.00 0.00 C ATOM 1381 CE1 HIS A 88 -0.328 4.753 11.040 1.00 0.00 C ATOM 1382 NE2 HIS A 88 -0.867 3.547 11.036 1.00 0.00 N ATOM 0 H HIS A 88 2.039 2.180 8.371 1.00 0.00 H new ATOM 0 HA HIS A 88 3.477 4.408 9.513 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.703 1.702 10.667 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.279 3.079 11.585 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.650 5.394 10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.006 1.541 10.878 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.866 5.686 11.124 1.00 0.00 H new ATOM 1390 N LYS A 89 5.291 2.425 8.193 1.00 0.00 N ATOM 1391 CA LYS A 89 6.631 1.886 7.998 1.00 0.00 C ATOM 1392 C LYS A 89 7.115 2.132 6.573 1.00 0.00 C ATOM 1393 O LYS A 89 6.340 2.527 5.702 1.00 0.00 O ATOM 1394 CB LYS A 89 6.649 0.386 8.302 1.00 0.00 C ATOM 1395 CG LYS A 89 7.002 0.062 9.743 1.00 0.00 C ATOM 1396 CD LYS A 89 8.469 0.336 10.033 1.00 0.00 C ATOM 1397 CE LYS A 89 8.816 0.034 11.483 1.00 0.00 C ATOM 1398 NZ LYS A 89 9.256 -1.377 11.665 1.00 0.00 N ATOM 0 H LYS A 89 4.742 2.509 7.337 1.00 0.00 H new ATOM 0 HA LYS A 89 7.305 2.398 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.670 -0.034 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.367 -0.101 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.381 0.656 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.779 -0.985 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.091 -0.271 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.696 1.379 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.607 0.707 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.947 0.228 12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.483 -1.543 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.492 -2.019 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.100 -1.555 11.084 1.00 0.00 H new ATOM 1412 N LYS A 90 8.402 1.895 6.340 1.00 0.00 N ATOM 1413 CA LYS A 90 8.990 2.088 5.020 1.00 0.00 C ATOM 1414 C LYS A 90 8.911 3.552 4.598 1.00 0.00 C ATOM 1415 O LYS A 90 8.895 3.864 3.407 1.00 0.00 O ATOM 1416 CB LYS A 90 8.277 1.210 3.989 1.00 0.00 C ATOM 1417 CG LYS A 90 9.162 0.800 2.824 1.00 0.00 C ATOM 1418 CD LYS A 90 8.499 -0.268 1.970 1.00 0.00 C ATOM 1419 CE LYS A 90 9.530 -1.135 1.264 1.00 0.00 C ATOM 1420 NZ LYS A 90 10.319 -1.954 2.226 1.00 0.00 N ATOM 0 H LYS A 90 9.058 1.569 7.049 1.00 0.00 H new ATOM 0 HA LYS A 90 10.040 1.799 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.903 0.314 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.410 1.747 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.384 1.673 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.113 0.426 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.863 -0.894 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.852 0.205 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.027 -1.792 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.204 -0.501 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.670 -2.808 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.124 -1.397 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.714 -2.229 3.026 1.00 0.00 H new ATOM 1434 N ILE A 91 8.864 4.444 5.581 1.00 0.00 N ATOM 1435 CA ILE A 91 8.790 5.875 5.311 1.00 0.00 C ATOM 1436 C ILE A 91 10.007 6.603 5.870 1.00 0.00 C ATOM 1437 O ILE A 91 10.394 6.398 7.021 1.00 0.00 O ATOM 1438 CB ILE A 91 7.514 6.496 5.910 1.00 0.00 C ATOM 1439 CG1 ILE A 91 6.272 5.927 5.222 1.00 0.00 C ATOM 1440 CG2 ILE A 91 7.551 8.011 5.780 1.00 0.00 C ATOM 1441 CD1 ILE A 91 6.331 5.998 3.712 1.00 0.00 C ATOM 0 H ILE A 91 8.876 4.202 6.572 1.00 0.00 H new ATOM 0 HA ILE A 91 8.766 5.991 4.227 1.00 0.00 H new ATOM 0 HB ILE A 91 7.467 6.243 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.144 4.888 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.393 6.471 5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.643 8.435 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.419 8.401 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.618 8.284 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.418 5.577 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.428 7.038 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.190 5.430 3.354 1.00 0.00 H new ATOM 1453 N LYS A 92 10.608 7.457 5.047 1.00 0.00 N ATOM 1454 CA LYS A 92 11.780 8.220 5.459 1.00 0.00 C ATOM 1455 C LYS A 92 11.432 9.189 6.584 1.00 0.00 C ATOM 1456 O LYS A 92 10.291 9.189 7.045 1.00 0.00 O ATOM 1457 CB LYS A 92 12.356 8.991 4.268 1.00 0.00 C ATOM 1458 CG LYS A 92 13.694 9.647 4.559 1.00 0.00 C ATOM 1459 CD LYS A 92 13.519 11.051 5.113 1.00 0.00 C ATOM 1460 CE LYS A 92 13.407 12.080 3.999 1.00 0.00 C ATOM 1461 NZ LYS A 92 13.718 13.455 4.480 1.00 0.00 N ATOM 0 H LYS A 92 10.302 7.638 4.091 1.00 0.00 H new ATOM 0 HA LYS A 92 12.528 7.518 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.471 8.309 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.644 9.757 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.250 9.040 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.287 9.687 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.625 11.089 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.365 11.298 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.088 11.815 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.399 12.059 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.630 14.127 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.052 13.718 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.689 13.482 4.851 1.00 0.00 H new TER 1475 LYS A 92 HETATM 1476 ZN ZN A 101 -18.292 -7.355 45.601 1.00 0.00 ZN HETATM 1477 ZN ZN A 102 -19.660 -15.072 19.075 1.00 0.00 ZN HETATM 1478 ZN ZN A 103 -2.596 2.884 10.421 1.00 0.00 ZN