USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 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 Single : A 40 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -94:sc= 0.909 USER MOD Single : A 50 MET CE :methyl -156:sc= -1.79! (180deg=-2.59!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.101 (180deg=-0.521) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 6.356 0.610 -18.075 1.00 1.00 N ATOM 2 CA GLY A 39 7.194 0.921 -16.931 1.00 1.00 C ATOM 3 C GLY A 39 6.439 1.660 -15.844 1.00 1.00 C ATOM 4 O GLY A 39 6.678 2.844 -15.607 1.00 1.00 O ATOM 0 HA2 GLY A 39 7.602 -0.003 -16.522 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.040 1.526 -17.258 1.00 1.00 H new ATOM 8 N SER A 40 5.523 0.960 -15.182 1.00 1.00 N ATOM 9 CA SER A 40 4.725 1.558 -14.118 1.00 1.00 C ATOM 10 C SER A 40 4.395 0.529 -13.042 1.00 1.00 C ATOM 11 O SER A 40 4.118 -0.633 -13.343 1.00 1.00 O ATOM 12 CB SER A 40 3.434 2.147 -14.689 1.00 1.00 C ATOM 13 OG SER A 40 3.706 3.011 -15.780 1.00 1.00 O ATOM 0 H SER A 40 5.315 -0.022 -15.364 1.00 1.00 H new ATOM 0 HA SER A 40 5.311 2.357 -13.664 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.776 1.341 -15.014 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.905 2.696 -13.910 1.00 1.00 H new ATOM 0 HG SER A 40 2.865 3.373 -16.128 1.00 1.00 H new ATOM 19 N CYS A 41 4.427 0.963 -11.787 1.00 1.00 N ATOM 20 CA CYS A 41 4.133 0.080 -10.664 1.00 1.00 C ATOM 21 C CYS A 41 2.768 -0.578 -10.832 1.00 1.00 C ATOM 22 O CYS A 41 2.532 -1.680 -10.337 1.00 1.00 O ATOM 23 CB CYS A 41 4.179 0.860 -9.349 1.00 1.00 C ATOM 24 SG CYS A 41 5.844 1.332 -8.828 1.00 1.00 S ATOM 0 H CYS A 41 4.654 1.921 -11.521 1.00 1.00 H new ATOM 0 HA CYS A 41 4.892 -0.702 -10.641 1.00 1.00 H new ATOM 0 HB2 CYS A 41 3.573 1.760 -9.452 1.00 1.00 H new ATOM 0 HB3 CYS A 41 3.722 0.256 -8.565 1.00 1.00 H new ATOM 0 HG CYS A 41 5.778 1.989 -7.708 1.00 1.00 H new ATOM 30 N LYS A 42 1.870 0.106 -11.533 1.00 1.00 N ATOM 31 CA LYS A 42 0.526 -0.410 -11.767 1.00 1.00 C ATOM 32 C LYS A 42 -0.064 0.170 -13.048 1.00 1.00 C ATOM 33 O LYS A 42 -0.025 1.381 -13.267 1.00 1.00 O ATOM 34 CB LYS A 42 -0.382 -0.081 -10.580 1.00 1.00 C ATOM 35 CG LYS A 42 -0.499 1.406 -10.296 1.00 1.00 C ATOM 36 CD LYS A 42 -0.964 1.668 -8.874 1.00 1.00 C ATOM 37 CE LYS A 42 -1.313 3.133 -8.662 1.00 1.00 C ATOM 38 NZ LYS A 42 -0.099 3.966 -8.442 1.00 1.00 N ATOM 0 H LYS A 42 2.049 1.020 -11.949 1.00 1.00 H new ATOM 0 HA LYS A 42 0.593 -1.492 -11.877 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -1.376 -0.485 -10.771 1.00 1.00 H new ATOM 0 HB3 LYS A 42 0.000 -0.583 -9.691 1.00 1.00 H new ATOM 0 HG2 LYS A 42 0.467 1.885 -10.458 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -1.200 1.857 -10.998 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -1.835 1.050 -8.655 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -0.181 1.375 -8.174 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -1.857 3.506 -9.530 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -1.979 3.227 -7.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -0.379 4.958 -8.302 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 0.407 3.626 -7.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 0.525 3.897 -9.271 1.00 1.00 H new ATOM 52 N ILE A 43 -0.611 -0.701 -13.889 1.00 1.00 N ATOM 53 CA ILE A 43 -1.213 -0.273 -15.146 1.00 1.00 C ATOM 54 C ILE A 43 -2.593 0.332 -14.916 1.00 1.00 C ATOM 55 O ILE A 43 -3.422 -0.209 -14.184 1.00 1.00 O ATOM 56 CB ILE A 43 -1.338 -1.445 -16.138 1.00 1.00 C ATOM 57 CG1 ILE A 43 0.038 -2.054 -16.417 1.00 1.00 C ATOM 58 CG2 ILE A 43 -1.988 -0.977 -17.431 1.00 1.00 C ATOM 59 CD1 ILE A 43 0.418 -3.155 -15.452 1.00 1.00 C ATOM 0 H ILE A 43 -0.650 -1.707 -13.723 1.00 1.00 H new ATOM 0 HA ILE A 43 -0.553 0.483 -15.571 1.00 1.00 H new ATOM 0 HB ILE A 43 -1.971 -2.213 -15.693 1.00 1.00 H new ATOM 0 HG12 ILE A 43 0.052 -2.451 -17.432 1.00 1.00 H new ATOM 0 HG13 ILE A 43 0.791 -1.267 -16.372 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.069 -1.816 -18.122 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -2.982 -0.585 -17.217 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.379 -0.194 -17.882 1.00 1.00 H new ATOM 0 HD11 ILE A 43 1.405 -3.540 -15.710 1.00 1.00 H new ATOM 0 HD12 ILE A 43 0.437 -2.759 -14.437 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -0.313 -3.961 -15.513 1.00 1.00 H new ATOM 71 N PRO A 44 -2.849 1.482 -15.558 1.00 1.00 N ATOM 72 CA PRO A 44 -4.130 2.187 -15.440 1.00 1.00 C ATOM 73 C PRO A 44 -5.268 1.438 -16.125 1.00 1.00 C ATOM 74 O PRO A 44 -5.127 0.269 -16.485 1.00 1.00 O ATOM 75 CB PRO A 44 -3.867 3.520 -16.145 1.00 1.00 C ATOM 76 CG PRO A 44 -2.764 3.231 -17.104 1.00 1.00 C ATOM 77 CD PRO A 44 -1.908 2.183 -16.448 1.00 1.00 C ATOM 0 HA PRO A 44 -4.443 2.293 -14.401 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.758 3.877 -16.662 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.580 4.294 -15.433 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.158 2.874 -18.055 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.186 4.130 -17.316 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.468 1.507 -17.181 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.084 2.628 -15.891 1.00 1.00 H new ATOM 85 N SER A 45 -6.396 2.118 -16.302 1.00 1.00 N ATOM 86 CA SER A 45 -7.560 1.515 -16.939 1.00 1.00 C ATOM 87 C SER A 45 -7.848 2.178 -18.283 1.00 1.00 C ATOM 88 O SER A 45 -8.290 1.524 -19.228 1.00 1.00 O ATOM 89 CB SER A 45 -8.784 1.631 -16.029 1.00 1.00 C ATOM 90 OG SER A 45 -9.971 1.286 -16.722 1.00 1.00 O ATOM 0 H SER A 45 -6.528 3.087 -16.013 1.00 1.00 H new ATOM 0 HA SER A 45 -7.343 0.461 -17.112 1.00 1.00 H new ATOM 0 HB2 SER A 45 -8.661 0.978 -15.165 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.864 2.650 -15.650 1.00 1.00 H new ATOM 0 HG SER A 45 -10.738 1.367 -16.117 1.00 1.00 H new ATOM 96 N ILE A 46 -7.593 3.480 -18.360 1.00 1.00 N ATOM 97 CA ILE A 46 -7.824 4.231 -19.588 1.00 1.00 C ATOM 98 C ILE A 46 -6.806 3.858 -20.660 1.00 1.00 C ATOM 99 O ILE A 46 -6.943 4.242 -21.821 1.00 1.00 O ATOM 100 CB ILE A 46 -7.756 5.750 -19.339 1.00 1.00 C ATOM 101 CG1 ILE A 46 -8.735 6.152 -18.234 1.00 1.00 C ATOM 102 CG2 ILE A 46 -8.056 6.510 -20.622 1.00 1.00 C ATOM 103 CD1 ILE A 46 -8.099 6.239 -16.865 1.00 1.00 C ATOM 0 H ILE A 46 -7.227 4.036 -17.587 1.00 1.00 H new ATOM 0 HA ILE A 46 -8.824 3.971 -19.934 1.00 1.00 H new ATOM 0 HB ILE A 46 -6.747 6.006 -19.015 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -9.175 7.118 -18.483 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -9.550 5.429 -18.202 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -8.004 7.582 -20.431 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -7.324 6.242 -21.384 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -9.055 6.252 -20.973 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -8.852 6.529 -16.132 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -7.684 5.268 -16.594 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -7.302 6.983 -16.880 1.00 1.00 H new ATOM 115 N ALA A 47 -5.786 3.104 -20.263 1.00 1.00 N ATOM 116 CA ALA A 47 -4.748 2.673 -21.191 1.00 1.00 C ATOM 117 C ALA A 47 -4.922 1.206 -21.567 1.00 1.00 C ATOM 118 O ALA A 47 -4.232 0.693 -22.448 1.00 1.00 O ATOM 119 CB ALA A 47 -3.370 2.905 -20.587 1.00 1.00 C ATOM 0 H ALA A 47 -5.657 2.779 -19.305 1.00 1.00 H new ATOM 0 HA ALA A 47 -4.839 3.267 -22.100 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -2.605 2.579 -21.291 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -3.239 3.966 -20.375 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -3.278 2.337 -19.662 1.00 1.00 H new ATOM 125 N THR A 48 -5.850 0.533 -20.892 1.00 1.00 N ATOM 126 CA THR A 48 -6.112 -0.877 -21.153 1.00 1.00 C ATOM 127 C THR A 48 -6.632 -1.086 -22.570 1.00 1.00 C ATOM 128 O THR A 48 -6.067 -1.861 -23.341 1.00 1.00 O ATOM 129 CB THR A 48 -7.134 -1.452 -20.153 1.00 1.00 C ATOM 130 OG1 THR A 48 -8.378 -0.753 -20.268 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.615 -1.344 -18.727 1.00 1.00 C ATOM 0 H THR A 48 -6.432 0.942 -20.161 1.00 1.00 H new ATOM 0 HA THR A 48 -5.164 -1.402 -21.036 1.00 1.00 H new ATOM 0 HB THR A 48 -7.287 -2.505 -20.388 1.00 1.00 H new ATOM 0 HG1 THR A 48 -8.407 -0.027 -19.610 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.353 -1.756 -18.039 1.00 1.00 H new ATOM 0 HG22 THR A 48 -5.683 -1.902 -18.636 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.437 -0.297 -18.483 1.00 1.00 H new ATOM 139 N GLY A 49 -7.713 -0.390 -22.908 1.00 1.00 N ATOM 140 CA GLY A 49 -8.290 -0.512 -24.234 1.00 1.00 C ATOM 141 C GLY A 49 -7.252 -0.389 -25.332 1.00 1.00 C ATOM 142 O GLY A 49 -7.262 -1.155 -26.294 1.00 1.00 O ATOM 0 H GLY A 49 -8.200 0.256 -22.287 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -8.793 -1.475 -24.321 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -9.050 0.258 -24.369 1.00 1.00 H new ATOM 146 N MET A 50 -6.353 0.580 -25.188 1.00 1.00 N ATOM 147 CA MET A 50 -5.304 0.802 -26.177 1.00 1.00 C ATOM 148 C MET A 50 -4.397 -0.419 -26.290 1.00 1.00 C ATOM 149 O MET A 50 -4.112 -0.893 -27.390 1.00 1.00 O ATOM 150 CB MET A 50 -4.476 2.034 -25.805 1.00 1.00 C ATOM 151 CG MET A 50 -5.317 3.270 -25.530 1.00 1.00 C ATOM 152 SD MET A 50 -6.471 3.637 -26.865 1.00 1.00 S ATOM 153 CE MET A 50 -5.443 3.323 -28.298 1.00 1.00 C ATOM 0 H MET A 50 -6.330 1.223 -24.397 1.00 1.00 H new ATOM 0 HA MET A 50 -5.779 0.970 -27.143 1.00 1.00 H new ATOM 0 HB2 MET A 50 -3.878 1.807 -24.922 1.00 1.00 H new ATOM 0 HB3 MET A 50 -3.779 2.251 -26.614 1.00 1.00 H new ATOM 0 HG2 MET A 50 -5.873 3.127 -24.603 1.00 1.00 H new ATOM 0 HG3 MET A 50 -4.659 4.126 -25.378 1.00 1.00 H new ATOM 0 HE1 MET A 50 -5.826 3.885 -29.150 1.00 1.00 H new ATOM 0 HE2 MET A 50 -4.420 3.635 -28.087 1.00 1.00 H new ATOM 0 HE3 MET A 50 -5.457 2.258 -28.530 1.00 1.00 H new ATOM 163 N VAL A 51 -3.947 -0.925 -25.146 1.00 1.00 N ATOM 164 CA VAL A 51 -3.073 -2.092 -25.118 1.00 1.00 C ATOM 165 C VAL A 51 -3.685 -3.256 -25.889 1.00 1.00 C ATOM 166 O VAL A 51 -3.092 -3.764 -26.839 1.00 1.00 O ATOM 167 CB VAL A 51 -2.786 -2.542 -23.673 1.00 1.00 C ATOM 168 CG1 VAL A 51 -1.775 -3.679 -23.659 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.293 -1.370 -22.838 1.00 1.00 C ATOM 0 H VAL A 51 -4.173 -0.545 -24.227 1.00 1.00 H new ATOM 0 HA VAL A 51 -2.137 -1.798 -25.593 1.00 1.00 H new ATOM 0 HB VAL A 51 -3.714 -2.907 -23.233 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -1.584 -3.984 -22.630 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -2.171 -4.525 -24.221 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -0.844 -3.344 -24.116 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.095 -1.706 -21.820 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.376 -0.973 -23.274 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -3.054 -0.590 -22.821 1.00 1.00 H new ATOM 179 N GLY A 52 -4.878 -3.672 -25.473 1.00 1.00 N ATOM 180 CA GLY A 52 -5.552 -4.773 -26.137 1.00 1.00 C ATOM 181 C GLY A 52 -5.616 -4.591 -27.641 1.00 1.00 C ATOM 182 O GLY A 52 -5.379 -5.533 -28.397 1.00 1.00 O ATOM 0 H GLY A 52 -5.389 -3.267 -24.689 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.033 -5.704 -25.908 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.564 -4.867 -25.742 1.00 1.00 H new ATOM 186 N ALA A 53 -5.938 -3.377 -28.076 1.00 1.00 N ATOM 187 CA ALA A 53 -6.032 -3.076 -29.498 1.00 1.00 C ATOM 188 C ALA A 53 -4.655 -3.081 -30.154 1.00 1.00 C ATOM 189 O ALA A 53 -4.504 -3.505 -31.301 1.00 1.00 O ATOM 190 CB ALA A 53 -6.714 -1.732 -29.709 1.00 1.00 C ATOM 0 H ALA A 53 -6.138 -2.586 -27.463 1.00 1.00 H new ATOM 0 HA ALA A 53 -6.632 -3.854 -29.969 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -6.777 -1.520 -30.776 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -7.718 -1.763 -29.285 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -6.136 -0.950 -29.217 1.00 1.00 H new ATOM 196 N LEU A 54 -3.654 -2.609 -29.419 1.00 1.00 N ATOM 197 CA LEU A 54 -2.288 -2.559 -29.930 1.00 1.00 C ATOM 198 C LEU A 54 -1.806 -3.949 -30.332 1.00 1.00 C ATOM 199 O LEU A 54 -1.290 -4.144 -31.433 1.00 1.00 O ATOM 200 CB LEU A 54 -1.351 -1.967 -28.876 1.00 1.00 C ATOM 201 CG LEU A 54 -1.270 -0.440 -28.832 1.00 1.00 C ATOM 202 CD1 LEU A 54 -0.531 0.019 -27.585 1.00 1.00 C ATOM 203 CD2 LEU A 54 -0.591 0.095 -30.084 1.00 1.00 C ATOM 0 H LEU A 54 -3.762 -2.256 -28.468 1.00 1.00 H new ATOM 0 HA LEU A 54 -2.280 -1.922 -30.814 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -1.668 -2.323 -27.896 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -0.349 -2.359 -29.048 1.00 1.00 H new ATOM 0 HG LEU A 54 -2.284 -0.042 -28.796 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -0.483 1.108 -27.571 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -1.059 -0.333 -26.699 1.00 1.00 H new ATOM 0 HD13 LEU A 54 0.480 -0.389 -27.590 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -0.542 1.183 -30.035 1.00 1.00 H new ATOM 0 HD22 LEU A 54 0.418 -0.311 -30.152 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -1.162 -0.203 -30.963 1.00 1.00 H new ATOM 215 N LEU A 55 -1.980 -4.912 -29.434 1.00 1.00 N ATOM 216 CA LEU A 55 -1.564 -6.286 -29.696 1.00 1.00 C ATOM 217 C LEU A 55 -2.413 -6.911 -30.799 1.00 1.00 C ATOM 218 O LEU A 55 -1.887 -7.510 -31.738 1.00 1.00 O ATOM 219 CB LEU A 55 -1.669 -7.123 -28.420 1.00 1.00 C ATOM 220 CG LEU A 55 -1.253 -6.427 -27.124 1.00 1.00 C ATOM 221 CD1 LEU A 55 -1.088 -7.440 -26.002 1.00 1.00 C ATOM 222 CD2 LEU A 55 0.035 -5.643 -27.330 1.00 1.00 C ATOM 0 H LEU A 55 -2.406 -4.767 -28.519 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.526 -6.269 -30.028 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.701 -7.459 -28.314 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -1.055 -8.015 -28.543 1.00 1.00 H new ATOM 0 HG LEU A 55 -2.040 -5.728 -26.841 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -0.792 -6.925 -25.088 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.033 -7.957 -25.837 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.321 -8.164 -26.276 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.316 -5.154 -26.397 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.830 -6.323 -27.637 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.117 -4.890 -28.103 1.00 1.00 H new ATOM 234 N LEU A 56 -3.728 -6.766 -30.680 1.00 1.00 N ATOM 235 CA LEU A 56 -4.650 -7.314 -31.669 1.00 1.00 C ATOM 236 C LEU A 56 -4.253 -6.888 -33.079 1.00 1.00 C ATOM 237 O LEU A 56 -3.991 -7.727 -33.942 1.00 1.00 O ATOM 238 CB LEU A 56 -6.080 -6.857 -31.369 1.00 1.00 C ATOM 239 CG LEU A 56 -7.192 -7.826 -31.772 1.00 1.00 C ATOM 240 CD1 LEU A 56 -7.336 -8.933 -30.739 1.00 1.00 C ATOM 241 CD2 LEU A 56 -8.508 -7.084 -31.949 1.00 1.00 C ATOM 0 H LEU A 56 -4.180 -6.274 -29.909 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.602 -8.401 -31.611 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.162 -6.666 -30.299 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -6.251 -5.908 -31.877 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.924 -8.280 -32.726 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.132 -9.613 -31.043 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.398 -9.483 -30.662 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.581 -8.497 -29.770 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -9.288 -7.790 -32.236 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.782 -6.601 -31.011 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -8.398 -6.329 -32.727 1.00 1.00 H new ATOM 253 N LEU A 57 -4.209 -5.579 -33.305 1.00 1.00 N ATOM 254 CA LEU A 57 -3.841 -5.041 -34.610 1.00 1.00 C ATOM 255 C LEU A 57 -2.494 -5.591 -35.066 1.00 1.00 C ATOM 256 O LEU A 57 -2.325 -5.966 -36.228 1.00 1.00 O ATOM 257 CB LEU A 57 -3.790 -3.513 -34.558 1.00 1.00 C ATOM 258 CG LEU A 57 -5.122 -2.805 -34.308 1.00 1.00 C ATOM 259 CD1 LEU A 57 -4.939 -1.296 -34.345 1.00 1.00 C ATOM 260 CD2 LEU A 57 -6.159 -3.244 -35.332 1.00 1.00 C ATOM 0 H LEU A 57 -4.423 -4.872 -32.602 1.00 1.00 H new ATOM 0 HA LEU A 57 -4.600 -5.349 -35.329 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -3.092 -3.219 -33.774 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.380 -3.151 -35.501 1.00 1.00 H new ATOM 0 HG LEU A 57 -5.479 -3.083 -33.316 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.897 -0.809 -34.165 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.229 -0.997 -33.574 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.559 -0.999 -35.323 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -7.101 -2.730 -35.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.809 -2.996 -36.334 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.311 -4.321 -35.257 1.00 1.00 H new ATOM 272 N LEU A 58 -1.537 -5.638 -34.146 1.00 1.00 N ATOM 273 CA LEU A 58 -0.204 -6.145 -34.452 1.00 1.00 C ATOM 274 C LEU A 58 -0.278 -7.548 -35.047 1.00 1.00 C ATOM 275 O LEU A 58 0.309 -7.822 -36.093 1.00 1.00 O ATOM 276 CB LEU A 58 0.660 -6.159 -33.190 1.00 1.00 C ATOM 277 CG LEU A 58 1.464 -4.888 -32.913 1.00 1.00 C ATOM 278 CD1 LEU A 58 1.988 -4.888 -31.486 1.00 1.00 C ATOM 279 CD2 LEU A 58 2.611 -4.755 -33.904 1.00 1.00 C ATOM 0 H LEU A 58 -1.659 -5.331 -33.181 1.00 1.00 H new ATOM 0 HA LEU A 58 0.250 -5.482 -35.188 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.014 -6.350 -32.333 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.354 -6.996 -33.258 1.00 1.00 H new ATOM 0 HG LEU A 58 0.803 -4.030 -33.036 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.558 -3.976 -31.308 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.150 -4.934 -30.791 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.633 -5.754 -31.335 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.172 -3.845 -33.691 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.271 -5.618 -33.814 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.213 -4.707 -34.917 1.00 1.00 H new ATOM 291 N VAL A 59 -1.007 -8.433 -34.373 1.00 1.00 N ATOM 292 CA VAL A 59 -1.159 -9.807 -34.835 1.00 1.00 C ATOM 293 C VAL A 59 -1.968 -9.867 -36.126 1.00 1.00 C ATOM 294 O VAL A 59 -1.587 -10.546 -37.080 1.00 1.00 O ATOM 295 CB VAL A 59 -1.846 -10.684 -33.771 1.00 1.00 C ATOM 296 CG1 VAL A 59 -1.791 -12.150 -34.172 1.00 1.00 C ATOM 297 CG2 VAL A 59 -1.202 -10.471 -32.410 1.00 1.00 C ATOM 0 H VAL A 59 -1.501 -8.222 -33.506 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.156 -10.191 -35.020 1.00 1.00 H new ATOM 0 HB VAL A 59 -2.893 -10.390 -33.702 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -2.281 -12.755 -33.409 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -2.301 -12.286 -35.126 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.751 -12.462 -34.270 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -1.699 -11.098 -31.670 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.146 -10.738 -32.461 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -1.298 -9.424 -32.122 1.00 1.00 H new ATOM 307 N VAL A 60 -3.087 -9.150 -36.151 1.00 1.00 N ATOM 308 CA VAL A 60 -3.950 -9.119 -37.325 1.00 1.00 C ATOM 309 C VAL A 60 -3.169 -8.716 -38.571 1.00 1.00 C ATOM 310 O VAL A 60 -3.133 -9.450 -39.558 1.00 1.00 O ATOM 311 CB VAL A 60 -5.126 -8.143 -37.132 1.00 1.00 C ATOM 312 CG1 VAL A 60 -5.990 -8.094 -38.383 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.953 -8.540 -35.918 1.00 1.00 C ATOM 0 H VAL A 60 -3.417 -8.582 -35.370 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.342 -10.128 -37.456 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.723 -7.145 -36.959 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -6.816 -7.399 -38.228 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -5.388 -7.759 -39.228 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -6.386 -9.088 -38.591 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.780 -7.840 -35.796 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -6.347 -9.546 -36.060 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.325 -8.519 -35.027 1.00 1.00 H new ATOM 323 N ALA A 61 -2.544 -7.545 -38.517 1.00 1.00 N ATOM 324 CA ALA A 61 -1.760 -7.045 -39.640 1.00 1.00 C ATOM 325 C ALA A 61 -0.593 -7.976 -39.952 1.00 1.00 C ATOM 326 O ALA A 61 -0.202 -8.132 -41.110 1.00 1.00 O ATOM 327 CB ALA A 61 -1.254 -5.640 -39.347 1.00 1.00 C ATOM 0 H ALA A 61 -2.565 -6.924 -37.708 1.00 1.00 H new ATOM 0 HA ALA A 61 -2.407 -7.010 -40.516 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -0.670 -5.279 -40.194 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -2.102 -4.975 -39.181 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.627 -5.658 -38.456 1.00 1.00 H new ATOM 333 N LEU A 62 -0.039 -8.591 -38.913 1.00 1.00 N ATOM 334 CA LEU A 62 1.086 -9.505 -39.076 1.00 1.00 C ATOM 335 C LEU A 62 0.677 -10.733 -39.883 1.00 1.00 C ATOM 336 O LEU A 62 1.240 -11.009 -40.941 1.00 1.00 O ATOM 337 CB LEU A 62 1.622 -9.934 -37.709 1.00 1.00 C ATOM 338 CG LEU A 62 2.721 -9.053 -37.113 1.00 1.00 C ATOM 339 CD1 LEU A 62 2.849 -9.299 -35.617 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.048 -9.307 -37.813 1.00 1.00 C ATOM 0 H LEU A 62 -0.350 -8.473 -37.949 1.00 1.00 H new ATOM 0 HA LEU A 62 1.872 -8.981 -39.620 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.788 -9.965 -37.007 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.005 -10.951 -37.794 1.00 1.00 H new ATOM 0 HG LEU A 62 2.447 -8.009 -37.267 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.636 -8.664 -35.210 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.904 -9.065 -35.128 1.00 1.00 H new ATOM 0 HD13 LEU A 62 3.100 -10.345 -35.440 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.818 -8.671 -37.375 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.329 -10.353 -37.691 1.00 1.00 H new ATOM 0 HD23 LEU A 62 3.949 -9.079 -38.874 1.00 1.00 H new ATOM 352 N GLY A 63 -0.309 -11.467 -39.375 1.00 1.00 N ATOM 353 CA GLY A 63 -0.777 -12.657 -40.061 1.00 1.00 C ATOM 354 C GLY A 63 -1.143 -12.386 -41.507 1.00 1.00 C ATOM 355 O GLY A 63 -0.720 -13.112 -42.408 1.00 1.00 O ATOM 0 H GLY A 63 -0.792 -11.258 -38.501 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.002 -13.423 -40.023 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -1.646 -13.056 -39.538 1.00 1.00 H new ATOM 359 N ILE A 64 -1.932 -11.341 -41.731 1.00 1.00 N ATOM 360 CA ILE A 64 -2.354 -10.977 -43.077 1.00 1.00 C ATOM 361 C ILE A 64 -1.168 -10.520 -43.920 1.00 1.00 C ATOM 362 O ILE A 64 -1.060 -10.863 -45.097 1.00 1.00 O ATOM 363 CB ILE A 64 -3.413 -9.858 -43.053 1.00 1.00 C ATOM 364 CG1 ILE A 64 -4.602 -10.272 -42.184 1.00 1.00 C ATOM 365 CG2 ILE A 64 -3.870 -9.531 -44.466 1.00 1.00 C ATOM 366 CD1 ILE A 64 -5.563 -9.140 -41.896 1.00 1.00 C ATOM 0 H ILE A 64 -2.292 -10.731 -40.997 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.792 -11.870 -43.522 1.00 1.00 H new ATOM 0 HB ILE A 64 -2.966 -8.963 -42.621 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -5.142 -11.078 -42.681 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -4.230 -10.671 -41.240 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -4.618 -8.739 -44.432 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -3.016 -9.199 -45.057 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -4.304 -10.420 -44.923 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -6.381 -9.506 -41.275 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -5.038 -8.342 -41.371 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -5.963 -8.755 -42.834 1.00 1.00 H new ATOM 378 N GLY A 65 -0.278 -9.744 -43.309 1.00 1.00 N ATOM 379 CA GLY A 65 0.890 -9.254 -44.018 1.00 1.00 C ATOM 380 C GLY A 65 1.806 -10.374 -44.470 1.00 1.00 C ATOM 381 O GLY A 65 2.203 -10.430 -45.635 1.00 1.00 O ATOM 0 H GLY A 65 -0.345 -9.446 -42.336 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.569 -8.678 -44.886 1.00 1.00 H new ATOM 0 HA3 GLY A 65 1.445 -8.574 -43.372 1.00 1.00 H new ATOM 385 N LEU A 66 2.144 -11.269 -43.548 1.00 1.00 N ATOM 386 CA LEU A 66 3.020 -12.393 -43.857 1.00 1.00 C ATOM 387 C LEU A 66 2.371 -13.324 -44.876 1.00 1.00 C ATOM 388 O LEU A 66 3.058 -13.966 -45.672 1.00 1.00 O ATOM 389 CB LEU A 66 3.357 -13.168 -42.583 1.00 1.00 C ATOM 390 CG LEU A 66 4.499 -12.605 -41.736 1.00 1.00 C ATOM 391 CD1 LEU A 66 4.498 -13.234 -40.352 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.836 -12.831 -42.426 1.00 1.00 C ATOM 0 H LEU A 66 1.824 -11.238 -42.580 1.00 1.00 H new ATOM 0 HA LEU A 66 3.940 -11.997 -44.288 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.462 -13.216 -41.963 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.608 -14.192 -42.860 1.00 1.00 H new ATOM 0 HG LEU A 66 4.347 -11.531 -41.624 1.00 1.00 H new ATOM 0 HD11 LEU A 66 5.318 -12.821 -39.764 1.00 1.00 H new ATOM 0 HD12 LEU A 66 3.551 -13.020 -39.856 1.00 1.00 H new ATOM 0 HD13 LEU A 66 4.624 -14.313 -40.443 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.637 -12.424 -41.809 1.00 1.00 H new ATOM 0 HD22 LEU A 66 5.995 -13.900 -42.569 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.835 -12.331 -43.395 1.00 1.00 H new ATOM 404 N PHE A 67 1.044 -13.392 -44.848 1.00 1.00 N ATOM 405 CA PHE A 67 0.302 -14.245 -45.769 1.00 1.00 C ATOM 406 C PHE A 67 0.256 -13.627 -47.164 1.00 1.00 C ATOM 407 O PHE A 67 0.504 -14.303 -48.162 1.00 1.00 O ATOM 408 CB PHE A 67 -1.120 -14.474 -45.253 1.00 1.00 C ATOM 409 CG PHE A 67 -1.744 -15.743 -45.758 1.00 1.00 C ATOM 410 CD1 PHE A 67 -1.274 -16.977 -45.337 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.799 -15.703 -46.655 1.00 1.00 C ATOM 412 CE1 PHE A 67 -1.846 -18.147 -45.799 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.376 -16.870 -47.120 1.00 1.00 C ATOM 414 CZ PHE A 67 -2.898 -18.093 -46.693 1.00 1.00 C ATOM 0 H PHE A 67 0.460 -12.866 -44.197 1.00 1.00 H new ATOM 0 HA PHE A 67 0.816 -15.204 -45.832 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -1.103 -14.495 -44.163 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.744 -13.630 -45.546 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.451 -17.025 -44.639 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -3.175 -14.749 -46.995 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.471 -19.102 -45.462 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.200 -16.825 -47.817 1.00 1.00 H new ATOM 0 HZ PHE A 67 -3.346 -19.006 -47.057 1.00 1.00 H new ATOM 424 N MET A 68 -0.064 -12.339 -47.224 1.00 1.00 N ATOM 425 CA MET A 68 -0.144 -11.630 -48.496 1.00 1.00 C ATOM 426 C MET A 68 1.247 -11.392 -49.074 1.00 1.00 C ATOM 427 O MET A 68 1.396 -11.116 -50.264 1.00 1.00 O ATOM 428 CB MET A 68 -0.869 -10.295 -48.315 1.00 1.00 C ATOM 429 CG MET A 68 -2.249 -10.432 -47.692 1.00 1.00 C ATOM 430 SD MET A 68 -3.542 -10.699 -48.920 1.00 1.00 S ATOM 431 CE MET A 68 -4.655 -11.770 -48.012 1.00 1.00 C ATOM 0 H MET A 68 -0.272 -11.765 -46.407 1.00 1.00 H new ATOM 0 HA MET A 68 -0.707 -12.249 -49.194 1.00 1.00 H new ATOM 0 HB2 MET A 68 -0.260 -9.642 -47.689 1.00 1.00 H new ATOM 0 HB3 MET A 68 -0.964 -9.808 -49.286 1.00 1.00 H new ATOM 0 HG2 MET A 68 -2.245 -11.264 -46.988 1.00 1.00 H new ATOM 0 HG3 MET A 68 -2.476 -9.532 -47.120 1.00 1.00 H new ATOM 0 HE1 MET A 68 -5.509 -12.024 -48.640 1.00 1.00 H new ATOM 0 HE2 MET A 68 -4.130 -12.682 -47.726 1.00 1.00 H new ATOM 0 HE3 MET A 68 -5.004 -11.256 -47.116 1.00 1.00 H new ATOM 441 N ARG A 69 2.263 -11.501 -48.223 1.00 1.00 N ATOM 442 CA ARG A 69 3.642 -11.294 -48.649 1.00 1.00 C ATOM 443 C ARG A 69 3.968 -12.150 -49.870 1.00 1.00 C ATOM 444 O ARG A 69 4.715 -11.730 -50.754 1.00 1.00 O ATOM 445 CB ARG A 69 4.606 -11.626 -47.509 1.00 1.00 C ATOM 446 CG ARG A 69 4.929 -10.437 -46.620 1.00 1.00 C ATOM 447 CD ARG A 69 6.409 -10.091 -46.669 1.00 1.00 C ATOM 448 NE ARG A 69 6.897 -9.964 -48.040 1.00 1.00 N ATOM 449 CZ ARG A 69 8.181 -10.031 -48.372 1.00 1.00 C ATOM 450 NH1 ARG A 69 9.102 -10.223 -47.438 1.00 1.00 N ATOM 451 NH2 ARG A 69 8.546 -9.907 -49.642 1.00 1.00 N ATOM 0 H ARG A 69 2.157 -11.731 -47.235 1.00 1.00 H new ATOM 0 HA ARG A 69 3.758 -10.245 -48.920 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.174 -12.419 -46.898 1.00 1.00 H new ATOM 0 HB3 ARG A 69 5.532 -12.017 -47.930 1.00 1.00 H new ATOM 0 HG2 ARG A 69 4.342 -9.575 -46.936 1.00 1.00 H new ATOM 0 HG3 ARG A 69 4.640 -10.660 -45.593 1.00 1.00 H new ATOM 0 HD2 ARG A 69 6.580 -9.156 -46.135 1.00 1.00 H new ATOM 0 HD3 ARG A 69 6.979 -10.863 -46.152 1.00 1.00 H new ATOM 0 HE ARG A 69 6.214 -9.816 -48.783 1.00 1.00 H new ATOM 0 HH11 ARG A 69 8.825 -10.320 -46.461 1.00 1.00 H new ATOM 0 HH12 ARG A 69 10.087 -10.274 -47.696 1.00 1.00 H new ATOM 0 HH21 ARG A 69 7.840 -9.760 -50.364 1.00 1.00 H new ATOM 0 HH22 ARG A 69 9.532 -9.959 -49.897 1.00 1.00 H new ATOM 465 N ARG A 70 3.402 -13.352 -49.911 1.00 1.00 N ATOM 466 CA ARG A 70 3.635 -14.268 -51.022 1.00 1.00 C ATOM 467 C ARG A 70 3.394 -13.573 -52.359 1.00 1.00 C ATOM 468 O ARG A 70 4.150 -13.762 -53.312 1.00 1.00 O ATOM 469 CB ARG A 70 2.725 -15.492 -50.900 1.00 1.00 C ATOM 470 CG ARG A 70 2.776 -16.155 -49.534 1.00 1.00 C ATOM 471 CD ARG A 70 1.996 -17.460 -49.518 1.00 1.00 C ATOM 472 NE ARG A 70 2.424 -18.341 -48.435 1.00 1.00 N ATOM 473 CZ ARG A 70 2.178 -19.647 -48.409 1.00 1.00 C ATOM 474 NH1 ARG A 70 1.511 -20.219 -49.402 1.00 1.00 N ATOM 475 NH2 ARG A 70 2.601 -20.382 -47.389 1.00 1.00 N ATOM 0 H ARG A 70 2.779 -13.714 -49.189 1.00 1.00 H new ATOM 0 HA ARG A 70 4.675 -14.591 -50.982 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.698 -15.193 -51.111 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.007 -16.221 -51.659 1.00 1.00 H new ATOM 0 HG2 ARG A 70 3.813 -16.347 -49.260 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.368 -15.477 -48.784 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.933 -17.245 -49.412 1.00 1.00 H new ATOM 0 HD3 ARG A 70 2.124 -17.970 -50.472 1.00 1.00 H new ATOM 0 HE ARG A 70 2.940 -17.932 -47.656 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.185 -19.657 -50.188 1.00 1.00 H new ATOM 0 HH12 ARG A 70 1.324 -21.221 -49.380 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.115 -19.945 -46.624 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.412 -21.384 -47.370 1.00 1.00 H new ATOM 489 N ARG A 71 2.337 -12.770 -52.421 1.00 1.00 N ATOM 490 CA ARG A 71 1.996 -12.049 -53.641 1.00 1.00 C ATOM 491 C ARG A 71 2.975 -10.906 -53.890 1.00 1.00 C ATOM 492 O ARG A 71 3.280 -10.574 -55.036 1.00 1.00 O ATOM 493 CB ARG A 71 0.569 -11.503 -53.554 1.00 1.00 C ATOM 494 CG ARG A 71 -0.484 -12.464 -54.081 1.00 1.00 C ATOM 495 CD ARG A 71 -1.846 -12.190 -53.464 1.00 1.00 C ATOM 496 NE ARG A 71 -2.923 -12.846 -54.201 1.00 1.00 N ATOM 497 CZ ARG A 71 -3.349 -12.442 -55.393 1.00 1.00 C ATOM 498 NH1 ARG A 71 -2.793 -11.391 -55.979 1.00 1.00 N ATOM 499 NH2 ARG A 71 -4.334 -13.090 -56.001 1.00 1.00 N ATOM 0 H ARG A 71 1.702 -12.602 -51.641 1.00 1.00 H new ATOM 0 HA ARG A 71 2.061 -12.747 -54.475 1.00 1.00 H new ATOM 0 HB2 ARG A 71 0.343 -11.264 -52.515 1.00 1.00 H new ATOM 0 HB3 ARG A 71 0.511 -10.570 -54.115 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -0.550 -12.375 -55.165 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -0.184 -13.489 -53.863 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -1.852 -12.535 -52.430 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -2.024 -11.115 -53.442 1.00 1.00 H new ATOM 0 HE ARG A 71 -3.372 -13.658 -53.778 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -2.036 -10.890 -55.515 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.123 -11.084 -56.894 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -4.765 -13.899 -55.553 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -4.660 -12.779 -56.916 1.00 1.00 H new ATOM 513 N HIS A 72 3.464 -10.307 -52.809 1.00 1.00 N ATOM 514 CA HIS A 72 4.409 -9.200 -52.910 1.00 1.00 C ATOM 515 C HIS A 72 5.788 -9.698 -53.329 1.00 1.00 C ATOM 516 O HIS A 72 6.650 -8.912 -53.723 1.00 1.00 O ATOM 517 CB HIS A 72 4.505 -8.461 -51.574 1.00 1.00 C ATOM 518 CG HIS A 72 3.536 -7.326 -51.446 1.00 1.00 C ATOM 519 ND1 HIS A 72 2.251 -7.374 -51.945 1.00 1.00 N ATOM 520 CD2 HIS A 72 3.670 -6.109 -50.870 1.00 1.00 C ATOM 521 CE1 HIS A 72 1.637 -6.234 -51.682 1.00 1.00 C ATOM 522 NE2 HIS A 72 2.476 -5.449 -51.030 1.00 1.00 N ATOM 0 H HIS A 72 3.222 -10.569 -51.853 1.00 1.00 H new ATOM 0 HA HIS A 72 4.044 -8.512 -53.673 1.00 1.00 H new ATOM 0 HB2 HIS A 72 4.332 -9.169 -50.763 1.00 1.00 H new ATOM 0 HB3 HIS A 72 5.518 -8.078 -51.452 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.552 -5.728 -50.376 1.00 1.00 H new ATOM 0 HE1 HIS A 72 0.622 -5.986 -51.954 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.271 -4.506 -50.699 1.00 1.00 H new ATOM 530 N ILE A 73 5.990 -11.009 -53.242 1.00 1.00 N ATOM 531 CA ILE A 73 7.264 -11.612 -53.615 1.00 1.00 C ATOM 532 C ILE A 73 7.699 -11.161 -55.005 1.00 1.00 C ATOM 533 O ILE A 73 8.891 -11.110 -55.308 1.00 1.00 O ATOM 534 CB ILE A 73 7.188 -13.150 -53.586 1.00 1.00 C ATOM 535 CG1 ILE A 73 6.864 -13.640 -52.174 1.00 1.00 C ATOM 536 CG2 ILE A 73 8.496 -13.753 -54.075 1.00 1.00 C ATOM 537 CD1 ILE A 73 7.844 -13.159 -51.127 1.00 1.00 C ATOM 0 H ILE A 73 5.288 -11.674 -52.917 1.00 1.00 H new ATOM 0 HA ILE A 73 7.998 -11.279 -52.882 1.00 1.00 H new ATOM 0 HB ILE A 73 6.389 -13.473 -54.254 1.00 1.00 H new ATOM 0 HG12 ILE A 73 5.862 -13.306 -51.903 1.00 1.00 H new ATOM 0 HG13 ILE A 73 6.848 -14.730 -52.171 1.00 1.00 H new ATOM 0 HG21 ILE A 73 8.427 -14.841 -54.049 1.00 1.00 H new ATOM 0 HG22 ILE A 73 8.688 -13.426 -55.097 1.00 1.00 H new ATOM 0 HG23 ILE A 73 9.311 -13.425 -53.430 1.00 1.00 H new ATOM 0 HD11 ILE A 73 7.552 -13.545 -50.150 1.00 1.00 H new ATOM 0 HD12 ILE A 73 8.844 -13.516 -51.374 1.00 1.00 H new ATOM 0 HD13 ILE A 73 7.843 -12.069 -51.101 1.00 1.00 H new ATOM 549 N VAL A 74 6.724 -10.833 -55.847 1.00 1.00 N ATOM 550 CA VAL A 74 7.006 -10.382 -57.205 1.00 1.00 C ATOM 551 C VAL A 74 7.744 -9.048 -57.199 1.00 1.00 C ATOM 552 O VAL A 74 7.672 -8.291 -56.231 1.00 1.00 O ATOM 553 CB VAL A 74 5.713 -10.237 -58.028 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.035 -10.064 -59.504 1.00 1.00 C ATOM 555 CG2 VAL A 74 4.805 -11.438 -57.809 1.00 1.00 C ATOM 0 H VAL A 74 5.732 -10.871 -55.613 1.00 1.00 H new ATOM 0 HA VAL A 74 7.638 -11.141 -57.666 1.00 1.00 H new ATOM 0 HB VAL A 74 5.186 -9.345 -57.689 1.00 1.00 H new ATOM 0 HG11 VAL A 74 5.108 -9.963 -60.069 1.00 1.00 H new ATOM 0 HG12 VAL A 74 6.643 -9.170 -59.641 1.00 1.00 H new ATOM 0 HG13 VAL A 74 6.585 -10.935 -59.861 1.00 1.00 H new ATOM 0 HG21 VAL A 74 3.896 -11.319 -58.398 1.00 1.00 H new ATOM 0 HG22 VAL A 74 5.322 -12.346 -58.119 1.00 1.00 H new ATOM 0 HG23 VAL A 74 4.546 -11.510 -56.753 1.00 1.00 H new ATOM 565 N ARG A 75 8.455 -8.767 -58.287 1.00 1.00 N ATOM 566 CA ARG A 75 9.208 -7.525 -58.407 1.00 1.00 C ATOM 567 C ARG A 75 8.343 -6.325 -58.030 1.00 1.00 C ATOM 568 O ARG A 75 7.473 -5.908 -58.795 1.00 1.00 O ATOM 569 CB ARG A 75 9.735 -7.359 -59.833 1.00 1.00 C ATOM 570 CG ARG A 75 10.624 -8.503 -60.291 1.00 1.00 C ATOM 571 CD ARG A 75 12.095 -8.191 -60.063 1.00 1.00 C ATOM 572 NE ARG A 75 12.509 -8.477 -58.692 1.00 1.00 N ATOM 573 CZ ARG A 75 12.744 -9.703 -58.235 1.00 1.00 C ATOM 574 NH1 ARG A 75 12.606 -10.750 -59.037 1.00 1.00 N ATOM 575 NH2 ARG A 75 13.117 -9.882 -56.975 1.00 1.00 N ATOM 0 H ARG A 75 8.525 -9.383 -59.097 1.00 1.00 H new ATOM 0 HA ARG A 75 10.051 -7.573 -57.718 1.00 1.00 H new ATOM 0 HB2 ARG A 75 8.890 -7.271 -60.516 1.00 1.00 H new ATOM 0 HB3 ARG A 75 10.295 -6.426 -59.898 1.00 1.00 H new ATOM 0 HG2 ARG A 75 10.356 -9.412 -59.752 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.452 -8.698 -61.350 1.00 1.00 H new ATOM 0 HD2 ARG A 75 12.701 -8.777 -60.754 1.00 1.00 H new ATOM 0 HD3 ARG A 75 12.282 -7.141 -60.286 1.00 1.00 H new ATOM 0 HE ARG A 75 12.624 -7.693 -58.050 1.00 1.00 H new ATOM 0 HH11 ARG A 75 12.319 -10.615 -60.007 1.00 1.00 H new ATOM 0 HH12 ARG A 75 12.787 -11.690 -58.684 1.00 1.00 H new ATOM 0 HH21 ARG A 75 13.224 -9.079 -56.356 1.00 1.00 H new ATOM 0 HH22 ARG A 75 13.297 -10.823 -56.625 1.00 1.00 H new ATOM 589 N LYS A 76 8.587 -5.775 -56.845 1.00 1.00 N ATOM 590 CA LYS A 76 7.831 -4.624 -56.366 1.00 1.00 C ATOM 591 C LYS A 76 8.041 -3.418 -57.277 1.00 1.00 C ATOM 592 O LYS A 76 7.231 -2.491 -57.290 1.00 1.00 O ATOM 593 CB LYS A 76 8.248 -4.274 -54.935 1.00 1.00 C ATOM 594 CG LYS A 76 7.984 -5.387 -53.936 1.00 1.00 C ATOM 595 CD LYS A 76 9.277 -6.020 -53.451 1.00 1.00 C ATOM 596 CE LYS A 76 9.016 -7.086 -52.398 1.00 1.00 C ATOM 597 NZ LYS A 76 8.146 -6.580 -51.300 1.00 1.00 N ATOM 0 H LYS A 76 9.303 -6.108 -56.199 1.00 1.00 H new ATOM 0 HA LYS A 76 6.773 -4.886 -56.376 1.00 1.00 H new ATOM 0 HB2 LYS A 76 9.311 -4.032 -54.924 1.00 1.00 H new ATOM 0 HB3 LYS A 76 7.713 -3.378 -54.618 1.00 1.00 H new ATOM 0 HG2 LYS A 76 7.431 -4.989 -53.085 1.00 1.00 H new ATOM 0 HG3 LYS A 76 7.355 -6.149 -54.397 1.00 1.00 H new ATOM 0 HD2 LYS A 76 9.805 -6.463 -54.295 1.00 1.00 H new ATOM 0 HD3 LYS A 76 9.927 -5.250 -53.037 1.00 1.00 H new ATOM 0 HE2 LYS A 76 8.545 -7.951 -52.866 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.965 -7.426 -51.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 8.235 -7.203 -50.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 8.438 -5.616 -51.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 7.156 -6.568 -51.619 1.00 1.00 H new ATOM 611 N ARG A 77 9.130 -3.439 -58.037 1.00 1.00 N ATOM 612 CA ARG A 77 9.446 -2.347 -58.950 1.00 1.00 C ATOM 613 C ARG A 77 8.301 -2.111 -59.931 1.00 1.00 C ATOM 614 O ARG A 77 8.046 -0.979 -60.344 1.00 1.00 O ATOM 615 CB ARG A 77 10.734 -2.651 -59.717 1.00 1.00 C ATOM 616 CG ARG A 77 11.987 -2.131 -59.033 1.00 1.00 C ATOM 617 CD ARG A 77 13.128 -1.950 -60.022 1.00 1.00 C ATOM 618 NE ARG A 77 13.097 -0.636 -60.660 1.00 1.00 N ATOM 619 CZ ARG A 77 13.771 -0.340 -61.765 1.00 1.00 C ATOM 620 NH1 ARG A 77 14.524 -1.259 -62.353 1.00 1.00 N ATOM 621 NH2 ARG A 77 13.692 0.878 -62.285 1.00 1.00 N ATOM 0 H ARG A 77 9.809 -4.200 -58.039 1.00 1.00 H new ATOM 0 HA ARG A 77 9.589 -1.442 -58.359 1.00 1.00 H new ATOM 0 HB2 ARG A 77 10.823 -3.729 -59.848 1.00 1.00 H new ATOM 0 HB3 ARG A 77 10.666 -2.213 -60.713 1.00 1.00 H new ATOM 0 HG2 ARG A 77 11.770 -1.179 -58.548 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.290 -2.826 -58.250 1.00 1.00 H new ATOM 0 HD2 ARG A 77 14.079 -2.080 -59.506 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.072 -2.725 -60.786 1.00 1.00 H new ATOM 0 HE ARG A 77 12.526 0.094 -60.233 1.00 1.00 H new ATOM 0 HH11 ARG A 77 14.587 -2.197 -61.957 1.00 1.00 H new ATOM 0 HH12 ARG A 77 15.040 -1.028 -63.202 1.00 1.00 H new ATOM 0 HH21 ARG A 77 13.113 1.588 -61.836 1.00 1.00 H new ATOM 0 HH22 ARG A 77 14.210 1.105 -63.134 1.00 1.00 H new ATOM 635 N THR A 78 7.613 -3.187 -60.301 1.00 1.00 N ATOM 636 CA THR A 78 6.497 -3.097 -61.233 1.00 1.00 C ATOM 637 C THR A 78 5.490 -2.044 -60.786 1.00 1.00 C ATOM 638 O THR A 78 4.840 -1.402 -61.612 1.00 1.00 O ATOM 639 CB THR A 78 5.776 -4.451 -61.378 1.00 1.00 C ATOM 640 OG1 THR A 78 4.804 -4.378 -62.427 1.00 1.00 O ATOM 641 CG2 THR A 78 5.097 -4.844 -60.075 1.00 1.00 C ATOM 0 H THR A 78 7.810 -4.131 -59.969 1.00 1.00 H new ATOM 0 HA THR A 78 6.914 -2.810 -62.198 1.00 1.00 H new ATOM 0 HB THR A 78 6.519 -5.210 -61.625 1.00 1.00 H new ATOM 0 HG1 THR A 78 4.351 -5.243 -62.514 1.00 1.00 H new ATOM 0 HG21 THR A 78 4.595 -5.803 -60.201 1.00 1.00 H new ATOM 0 HG22 THR A 78 5.844 -4.927 -59.286 1.00 1.00 H new ATOM 0 HG23 THR A 78 4.365 -4.084 -59.803 1.00 1.00 H new ATOM 649 N LEU A 79 5.366 -1.869 -59.475 1.00 1.00 N ATOM 650 CA LEU A 79 4.438 -0.892 -58.918 1.00 1.00 C ATOM 651 C LEU A 79 4.878 0.530 -59.252 1.00 1.00 C ATOM 652 O LEU A 79 4.057 1.379 -59.600 1.00 1.00 O ATOM 653 CB LEU A 79 4.336 -1.063 -57.401 1.00 1.00 C ATOM 654 CG LEU A 79 3.436 -2.198 -56.913 1.00 1.00 C ATOM 655 CD1 LEU A 79 4.032 -3.548 -57.280 1.00 1.00 C ATOM 656 CD2 LEU A 79 3.220 -2.100 -55.410 1.00 1.00 C ATOM 0 H LEU A 79 5.897 -2.391 -58.778 1.00 1.00 H new ATOM 0 HA LEU A 79 3.458 -1.064 -59.364 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.339 -1.226 -57.006 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.972 -0.128 -56.974 1.00 1.00 H new ATOM 0 HG LEU A 79 2.468 -2.105 -57.406 1.00 1.00 H new ATOM 0 HD11 LEU A 79 3.377 -4.344 -56.924 1.00 1.00 H new ATOM 0 HD12 LEU A 79 4.134 -3.619 -58.363 1.00 1.00 H new ATOM 0 HD13 LEU A 79 5.013 -3.651 -56.816 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.577 -2.916 -55.081 1.00 1.00 H new ATOM 0 HD22 LEU A 79 4.181 -2.166 -54.899 1.00 1.00 H new ATOM 0 HD23 LEU A 79 2.747 -1.147 -55.172 1.00 1.00 H new ATOM 668 N ARG A 80 6.179 0.781 -59.146 1.00 1.00 N ATOM 669 CA ARG A 80 6.729 2.099 -59.439 1.00 1.00 C ATOM 670 C ARG A 80 6.715 2.373 -60.940 1.00 1.00 C ATOM 671 O ARG A 80 6.507 3.507 -61.372 1.00 1.00 O ATOM 672 CB ARG A 80 8.157 2.210 -58.903 1.00 1.00 C ATOM 673 CG ARG A 80 8.228 2.465 -57.406 1.00 1.00 C ATOM 674 CD ARG A 80 9.431 3.322 -57.044 1.00 1.00 C ATOM 675 NE ARG A 80 9.123 4.749 -57.103 1.00 1.00 N ATOM 676 CZ ARG A 80 9.984 5.701 -56.760 1.00 1.00 C ATOM 677 NH1 ARG A 80 11.199 5.380 -56.336 1.00 1.00 N ATOM 678 NH2 ARG A 80 9.630 6.977 -56.841 1.00 1.00 N ATOM 0 H ARG A 80 6.871 0.089 -58.859 1.00 1.00 H new ATOM 0 HA ARG A 80 6.104 2.843 -58.945 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.695 1.290 -59.132 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.670 3.017 -59.425 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.315 2.960 -57.076 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.284 1.514 -56.876 1.00 1.00 H new ATOM 0 HD2 ARG A 80 9.770 3.065 -56.040 1.00 1.00 H new ATOM 0 HD3 ARG A 80 10.253 3.100 -57.725 1.00 1.00 H new ATOM 0 HE ARG A 80 8.197 5.030 -57.425 1.00 1.00 H new ATOM 0 HH11 ARG A 80 11.475 4.400 -56.273 1.00 1.00 H new ATOM 0 HH12 ARG A 80 11.858 6.113 -56.073 1.00 1.00 H new ATOM 0 HH21 ARG A 80 8.696 7.228 -57.167 1.00 1.00 H new ATOM 0 HH22 ARG A 80 10.291 7.707 -56.578 1.00 1.00 H new ATOM 692 N ARG A 81 6.938 1.327 -61.729 1.00 1.00 N ATOM 693 CA ARG A 81 6.952 1.455 -63.181 1.00 1.00 C ATOM 694 C ARG A 81 5.537 1.626 -63.726 1.00 1.00 C ATOM 695 O ARG A 81 5.285 2.489 -64.568 1.00 1.00 O ATOM 696 CB ARG A 81 7.610 0.229 -63.816 1.00 1.00 C ATOM 697 CG ARG A 81 9.118 0.180 -63.627 1.00 1.00 C ATOM 698 CD ARG A 81 9.821 1.211 -64.496 1.00 1.00 C ATOM 699 NE ARG A 81 11.241 0.910 -64.661 1.00 1.00 N ATOM 700 CZ ARG A 81 11.702 -0.045 -65.460 1.00 1.00 C ATOM 701 NH1 ARG A 81 10.859 -0.788 -66.165 1.00 1.00 N ATOM 702 NH2 ARG A 81 13.008 -0.259 -65.557 1.00 1.00 N ATOM 0 H ARG A 81 7.111 0.382 -61.387 1.00 1.00 H new ATOM 0 HA ARG A 81 7.531 2.343 -63.437 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.169 -0.672 -63.388 1.00 1.00 H new ATOM 0 HB3 ARG A 81 7.386 0.218 -64.883 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.361 0.359 -62.580 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.485 -0.816 -63.874 1.00 1.00 H new ATOM 0 HD2 ARG A 81 9.342 1.248 -65.474 1.00 1.00 H new ATOM 0 HD3 ARG A 81 9.709 2.199 -64.049 1.00 1.00 H new ATOM 0 HE ARG A 81 11.916 1.464 -64.133 1.00 1.00 H new ATOM 0 HH11 ARG A 81 9.854 -0.626 -66.094 1.00 1.00 H new ATOM 0 HH12 ARG A 81 11.215 -1.521 -66.778 1.00 1.00 H new ATOM 0 HH21 ARG A 81 13.660 0.311 -65.017 1.00 1.00 H new ATOM 0 HH22 ARG A 81 13.360 -0.993 -66.171 1.00 1.00 H new ATOM 716 N LEU A 82 4.618 0.798 -63.242 1.00 1.00 N ATOM 717 CA LEU A 82 3.229 0.856 -63.681 1.00 1.00 C ATOM 718 C LEU A 82 2.674 2.271 -63.549 1.00 1.00 C ATOM 719 O LEU A 82 1.993 2.768 -64.446 1.00 1.00 O ATOM 720 CB LEU A 82 2.375 -0.117 -62.866 1.00 1.00 C ATOM 721 CG LEU A 82 2.451 -1.587 -63.279 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.190 -2.492 -62.085 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.462 -1.878 -64.398 1.00 1.00 C ATOM 0 H LEU A 82 4.810 0.078 -62.545 1.00 1.00 H new ATOM 0 HA LEU A 82 3.194 0.569 -64.732 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.670 -0.039 -61.820 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.335 0.204 -62.929 1.00 1.00 H new ATOM 0 HG LEU A 82 3.457 -1.789 -63.648 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.248 -3.534 -62.399 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.937 -2.303 -61.315 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.197 -2.289 -61.685 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.530 -2.929 -64.679 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.451 -1.658 -64.056 1.00 1.00 H new ATOM 0 HD23 LEU A 82 1.696 -1.255 -65.262 1.00 1.00 H new ATOM 735 N LEU A 83 2.973 2.915 -62.426 1.00 1.00 N ATOM 736 CA LEU A 83 2.506 4.274 -62.177 1.00 1.00 C ATOM 737 C LEU A 83 2.981 5.223 -63.274 1.00 1.00 C ATOM 738 O LEU A 83 2.315 6.210 -63.584 1.00 1.00 O ATOM 739 CB LEU A 83 3.002 4.763 -60.815 1.00 1.00 C ATOM 740 CG LEU A 83 2.154 4.359 -59.608 1.00 1.00 C ATOM 741 CD1 LEU A 83 2.843 4.762 -58.313 1.00 1.00 C ATOM 742 CD2 LEU A 83 0.770 4.984 -59.695 1.00 1.00 C ATOM 0 H LEU A 83 3.536 2.518 -61.674 1.00 1.00 H new ATOM 0 HA LEU A 83 1.416 4.263 -62.178 1.00 1.00 H new ATOM 0 HB2 LEU A 83 4.015 4.389 -60.664 1.00 1.00 H new ATOM 0 HB3 LEU A 83 3.064 5.851 -60.842 1.00 1.00 H new ATOM 0 HG LEU A 83 2.042 3.275 -59.614 1.00 1.00 H new ATOM 0 HD11 LEU A 83 2.225 4.467 -57.465 1.00 1.00 H new ATOM 0 HD12 LEU A 83 3.811 4.266 -58.247 1.00 1.00 H new ATOM 0 HD13 LEU A 83 2.987 5.842 -58.298 1.00 1.00 H new ATOM 0 HD21 LEU A 83 0.181 4.685 -58.828 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.862 6.070 -59.715 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.274 4.645 -60.605 1.00 1.00 H new ATOM 754 N GLN A 84 4.135 4.914 -63.857 1.00 1.00 N ATOM 755 CA GLN A 84 4.697 5.738 -64.920 1.00 1.00 C ATOM 756 C GLN A 84 4.035 5.427 -66.258 1.00 1.00 C ATOM 757 O GLN A 84 3.992 6.272 -67.151 1.00 1.00 O ATOM 758 CB GLN A 84 6.207 5.517 -65.021 1.00 1.00 C ATOM 759 CG GLN A 84 6.997 6.203 -63.918 1.00 1.00 C ATOM 760 CD GLN A 84 8.489 5.954 -64.028 1.00 1.00 C ATOM 761 OE1 GLN A 84 9.230 6.783 -64.558 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.937 4.809 -63.527 1.00 1.00 N ATOM 0 H GLN A 84 4.698 4.100 -63.611 1.00 1.00 H new ATOM 0 HA GLN A 84 4.505 6.783 -64.675 1.00 1.00 H new ATOM 0 HB2 GLN A 84 6.412 4.447 -64.992 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.556 5.882 -65.987 1.00 1.00 H new ATOM 0 HG2 GLN A 84 6.808 7.276 -63.954 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.644 5.849 -62.949 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.287 4.151 -63.097 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.932 4.587 -63.572 1.00 1.00 H new ATOM 771 N GLU A 85 3.520 4.208 -66.389 1.00 1.00 N ATOM 772 CA GLU A 85 2.861 3.786 -67.619 1.00 1.00 C ATOM 773 C GLU A 85 1.450 4.362 -67.706 1.00 1.00 C ATOM 774 O GLU A 85 1.037 4.866 -68.751 1.00 1.00 O ATOM 775 CB GLU A 85 2.805 2.259 -67.696 1.00 1.00 C ATOM 776 CG GLU A 85 4.003 1.641 -68.397 1.00 1.00 C ATOM 777 CD GLU A 85 4.274 0.219 -67.945 1.00 1.00 C ATOM 778 OE1 GLU A 85 3.461 -0.672 -68.271 1.00 1.00 O ATOM 779 OE2 GLU A 85 5.297 -0.003 -67.265 1.00 1.00 O ATOM 0 H GLU A 85 3.547 3.496 -65.659 1.00 1.00 H new ATOM 0 HA GLU A 85 3.442 4.164 -68.460 1.00 1.00 H new ATOM 0 HB2 GLU A 85 2.737 1.855 -66.686 1.00 1.00 H new ATOM 0 HB3 GLU A 85 1.896 1.963 -68.219 1.00 1.00 H new ATOM 0 HG2 GLU A 85 3.834 1.650 -69.474 1.00 1.00 H new ATOM 0 HG3 GLU A 85 4.885 2.253 -68.208 1.00 1.00 H new ATOM 786 N ARG A 86 0.716 4.284 -66.601 1.00 1.00 N ATOM 787 CA ARG A 86 -0.648 4.794 -66.552 1.00 1.00 C ATOM 788 C ARG A 86 -0.656 6.310 -66.376 1.00 1.00 C ATOM 789 O ARG A 86 -1.291 7.030 -67.145 1.00 1.00 O ATOM 790 CB ARG A 86 -1.423 4.133 -65.410 1.00 1.00 C ATOM 791 CG ARG A 86 -1.926 2.738 -65.743 1.00 1.00 C ATOM 792 CD ARG A 86 -2.929 2.247 -64.712 1.00 1.00 C ATOM 793 NE ARG A 86 -2.274 1.657 -63.548 1.00 1.00 N ATOM 794 CZ ARG A 86 -2.930 1.074 -62.551 1.00 1.00 C ATOM 795 NH1 ARG A 86 -4.254 1.003 -62.577 1.00 1.00 N ATOM 796 NH2 ARG A 86 -2.263 0.560 -61.526 1.00 1.00 N ATOM 0 H ARG A 86 1.044 3.872 -65.727 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.133 4.553 -67.498 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.781 4.078 -64.531 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.272 4.763 -65.146 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.390 2.743 -66.730 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.084 2.048 -65.790 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.556 3.079 -64.392 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.588 1.509 -65.170 1.00 1.00 H new ATOM 0 HE ARG A 86 -1.256 1.695 -63.498 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -4.770 1.396 -63.364 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -4.756 0.555 -61.810 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -1.245 0.612 -61.503 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -2.769 0.113 -60.761 1.00 1.00 H new ATOM 810 N GLU A 87 0.053 6.785 -65.357 1.00 1.00 N ATOM 811 CA GLU A 87 0.125 8.215 -65.078 1.00 1.00 C ATOM 812 C GLU A 87 1.425 8.808 -65.614 1.00 1.00 C ATOM 813 O GLU A 87 2.498 8.224 -65.460 1.00 1.00 O ATOM 814 CB GLU A 87 0.018 8.470 -63.573 1.00 1.00 C ATOM 815 CG GLU A 87 0.659 9.774 -63.130 1.00 1.00 C ATOM 816 CD GLU A 87 -0.027 10.379 -61.920 1.00 1.00 C ATOM 817 OE1 GLU A 87 0.090 9.801 -60.820 1.00 1.00 O ATOM 818 OE2 GLU A 87 -0.680 11.433 -62.074 1.00 1.00 O ATOM 0 H GLU A 87 0.585 6.202 -64.711 1.00 1.00 H new ATOM 0 HA GLU A 87 -0.711 8.700 -65.581 1.00 1.00 H new ATOM 0 HB2 GLU A 87 -1.034 8.477 -63.288 1.00 1.00 H new ATOM 0 HB3 GLU A 87 0.488 7.644 -63.039 1.00 1.00 H new ATOM 0 HG2 GLU A 87 1.709 9.598 -62.897 1.00 1.00 H new ATOM 0 HG3 GLU A 87 0.630 10.487 -63.954 1.00 1.00 H new ATOM 825 N LEU A 88 1.320 9.972 -66.246 1.00 1.00 N ATOM 826 CA LEU A 88 2.486 10.646 -66.806 1.00 1.00 C ATOM 827 C LEU A 88 3.458 11.058 -65.705 1.00 1.00 C ATOM 828 O LEU A 88 4.578 10.552 -65.630 1.00 1.00 O ATOM 829 CB LEU A 88 2.054 11.876 -67.607 1.00 1.00 C ATOM 830 CG LEU A 88 1.683 11.628 -69.070 1.00 1.00 C ATOM 831 CD1 LEU A 88 2.870 11.059 -69.832 1.00 1.00 C ATOM 832 CD2 LEU A 88 0.487 10.693 -69.166 1.00 1.00 C ATOM 0 H LEU A 88 0.440 10.468 -66.383 1.00 1.00 H new ATOM 0 HA LEU A 88 2.994 9.947 -67.471 1.00 1.00 H new ATOM 0 HB2 LEU A 88 1.197 12.328 -67.107 1.00 1.00 H new ATOM 0 HB3 LEU A 88 2.862 12.607 -67.577 1.00 1.00 H new ATOM 0 HG LEU A 88 1.410 12.581 -69.523 1.00 1.00 H new ATOM 0 HD11 LEU A 88 2.588 10.889 -70.871 1.00 1.00 H new ATOM 0 HD12 LEU A 88 3.700 11.765 -69.792 1.00 1.00 H new ATOM 0 HD13 LEU A 88 3.174 10.115 -69.380 1.00 1.00 H new ATOM 0 HD21 LEU A 88 0.237 10.528 -70.214 1.00 1.00 H new ATOM 0 HD22 LEU A 88 0.732 9.740 -68.697 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -0.366 11.140 -68.656 1.00 1.00 H new ATOM 844 N VAL A 89 3.022 11.979 -64.852 1.00 1.00 N ATOM 845 CA VAL A 89 3.852 12.457 -63.753 1.00 1.00 C ATOM 846 C VAL A 89 3.000 12.851 -62.551 1.00 1.00 C ATOM 847 O VAL A 89 2.280 13.848 -62.588 1.00 1.00 O ATOM 848 CB VAL A 89 4.706 13.666 -64.180 1.00 1.00 C ATOM 849 CG1 VAL A 89 5.557 14.156 -63.018 1.00 1.00 C ATOM 850 CG2 VAL A 89 5.577 13.307 -65.374 1.00 1.00 C ATOM 0 H VAL A 89 2.098 12.409 -64.901 1.00 1.00 H new ATOM 0 HA VAL A 89 4.511 11.635 -63.474 1.00 1.00 H new ATOM 0 HB VAL A 89 4.038 14.474 -64.476 1.00 1.00 H new ATOM 0 HG11 VAL A 89 6.153 15.010 -63.339 1.00 1.00 H new ATOM 0 HG12 VAL A 89 4.910 14.454 -62.193 1.00 1.00 H new ATOM 0 HG13 VAL A 89 6.219 13.355 -62.688 1.00 1.00 H new ATOM 0 HG21 VAL A 89 6.174 14.172 -65.662 1.00 1.00 H new ATOM 0 HG22 VAL A 89 6.239 12.483 -65.107 1.00 1.00 H new ATOM 0 HG23 VAL A 89 4.944 13.008 -66.209 1.00 1.00 H new ATOM 860 N GLU A 90 3.087 12.060 -61.486 1.00 1.00 N ATOM 861 CA GLU A 90 2.323 12.326 -60.273 1.00 1.00 C ATOM 862 C GLU A 90 2.582 13.741 -59.766 1.00 1.00 C ATOM 863 O GLU A 90 1.652 14.473 -59.433 1.00 1.00 O ATOM 864 CB GLU A 90 2.679 11.309 -59.186 1.00 1.00 C ATOM 865 CG GLU A 90 1.953 11.544 -57.872 1.00 1.00 C ATOM 866 CD GLU A 90 0.461 11.294 -57.977 1.00 1.00 C ATOM 867 OE1 GLU A 90 0.044 10.125 -57.842 1.00 1.00 O ATOM 868 OE2 GLU A 90 -0.289 12.269 -58.194 1.00 1.00 O ATOM 0 H GLU A 90 3.679 11.230 -61.439 1.00 1.00 H new ATOM 0 HA GLU A 90 1.264 12.234 -60.514 1.00 1.00 H new ATOM 0 HB2 GLU A 90 2.445 10.307 -59.547 1.00 1.00 H new ATOM 0 HB3 GLU A 90 3.754 11.341 -59.008 1.00 1.00 H new ATOM 0 HG2 GLU A 90 2.374 10.892 -57.107 1.00 1.00 H new ATOM 0 HG3 GLU A 90 2.124 12.570 -57.545 1.00 1.00 H new ATOM 875 N GLY A 91 3.856 14.120 -59.710 1.00 1.00 N ATOM 876 CA GLY A 91 4.216 15.445 -59.242 1.00 1.00 C ATOM 877 C GLY A 91 5.690 15.561 -58.908 1.00 1.00 C ATOM 878 O GLY A 91 6.282 16.631 -59.043 1.00 1.00 O ATOM 0 H GLY A 91 4.645 13.532 -59.981 1.00 1.00 H new ATOM 0 HA2 GLY A 91 3.961 16.179 -60.007 1.00 1.00 H new ATOM 0 HA3 GLY A 91 3.626 15.688 -58.358 1.00 1.00 H new ATOM 882 N GLY A 92 6.285 14.456 -58.468 1.00 1.00 N ATOM 883 CA GLY A 92 7.693 14.461 -58.117 1.00 1.00 C ATOM 884 C GLY A 92 7.916 14.467 -56.618 1.00 1.00 C ATOM 885 O GLY A 92 8.910 15.008 -56.134 1.00 1.00 O ATOM 0 H GLY A 92 5.817 13.558 -58.348 1.00 1.00 H new ATOM 0 HA2 GLY A 92 8.175 13.584 -58.550 1.00 1.00 H new ATOM 0 HA3 GLY A 92 8.171 15.337 -58.556 1.00 1.00 H new TER 889 GLY A 92