USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.8) USER MOD Single : A 66 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.16) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 69 SER OG : rot 13:sc= 0.548 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -34:sc= -3.09! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.833 K(o=-0.83,f=-2.4) USER MOD Single : B 66 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.32) USER MOD Single : B 67 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-2.4) USER MOD Single : B 69 SER OG : rot 180:sc= 0.372 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -2.92! USER MOD Single : B 92 SER OG : rot -59:sc= 1.33 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 10.960 -17.673 -16.890 1.00 0.00 N ATOM 2 CA ARG A 61 10.101 -18.654 -17.543 1.00 0.00 C ATOM 3 C ARG A 61 9.107 -19.252 -16.551 1.00 0.00 C ATOM 4 O ARG A 61 7.895 -19.196 -16.760 1.00 0.00 O ATOM 5 CB ARG A 61 10.944 -19.765 -18.170 1.00 0.00 C ATOM 6 CG ARG A 61 11.039 -19.677 -19.685 1.00 0.00 C ATOM 7 CD ARG A 61 10.091 -20.656 -20.360 1.00 0.00 C ATOM 8 NE ARG A 61 9.579 -20.138 -21.626 1.00 0.00 N ATOM 9 CZ ARG A 61 8.653 -19.189 -21.711 1.00 0.00 C ATOM 10 NH1 ARG A 61 8.141 -18.658 -20.610 1.00 0.00 N ATOM 11 NH2 ARG A 61 8.239 -18.770 -22.900 1.00 0.00 N ATOM 0 HA ARG A 61 9.542 -18.145 -18.328 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.949 -19.729 -17.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.518 -20.731 -17.897 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.806 -18.662 -20.007 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.062 -19.884 -19.999 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.609 -21.599 -20.537 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.257 -20.871 -19.692 1.00 0.00 H new ATOM 0 HE ARG A 61 9.953 -20.526 -22.492 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.458 -18.978 -19.695 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.430 -17.930 -20.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.632 -19.176 -23.749 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.528 -18.041 -22.965 1.00 0.00 H new ATOM 25 N VAL A 62 9.630 -19.825 -15.472 1.00 0.00 N ATOM 26 CA VAL A 62 8.789 -20.434 -14.447 1.00 0.00 C ATOM 27 C VAL A 62 9.476 -20.407 -13.086 1.00 0.00 C ATOM 28 O VAL A 62 10.700 -20.307 -13.000 1.00 0.00 O ATOM 29 CB VAL A 62 8.436 -21.890 -14.803 1.00 0.00 C ATOM 30 CG1 VAL A 62 7.410 -21.931 -15.925 1.00 0.00 C ATOM 31 CG2 VAL A 62 9.689 -22.663 -15.187 1.00 0.00 C ATOM 0 H VAL A 62 10.631 -19.881 -15.284 1.00 0.00 H new ATOM 0 HA VAL A 62 7.872 -19.847 -14.400 1.00 0.00 H new ATOM 0 HB VAL A 62 7.998 -22.365 -13.925 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.173 -22.968 -16.163 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.504 -21.415 -15.608 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.817 -21.440 -16.809 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.421 -23.690 -15.436 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.157 -22.191 -16.051 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.387 -22.663 -14.350 1.00 0.00 H new ATOM 41 N GLN A 63 8.680 -20.499 -12.026 1.00 0.00 N ATOM 42 CA GLN A 63 9.212 -20.485 -10.668 1.00 0.00 C ATOM 43 C GLN A 63 9.913 -19.164 -10.372 1.00 0.00 C ATOM 44 O GLN A 63 10.468 -18.528 -11.269 1.00 0.00 O ATOM 45 CB GLN A 63 10.184 -21.648 -10.468 1.00 0.00 C ATOM 46 CG GLN A 63 10.997 -21.548 -9.187 1.00 0.00 C ATOM 47 CD GLN A 63 10.132 -21.588 -7.942 1.00 0.00 C ATOM 48 OE1 GLN A 63 10.276 -20.756 -7.046 1.00 0.00 O ATOM 49 NE2 GLN A 63 9.227 -22.557 -7.881 1.00 0.00 N ATOM 0 H GLN A 63 7.665 -20.584 -12.081 1.00 0.00 H new ATOM 0 HA GLN A 63 8.377 -20.595 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.623 -22.582 -10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.865 -21.692 -11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.715 -22.367 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.571 -20.621 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.143 -23.225 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.616 -22.634 -7.068 1.00 0.00 H new ATOM 58 N LEU A 64 9.884 -18.755 -9.108 1.00 0.00 N ATOM 59 CA LEU A 64 10.516 -17.508 -8.692 1.00 0.00 C ATOM 60 C LEU A 64 10.661 -17.450 -7.175 1.00 0.00 C ATOM 61 O LEU A 64 9.765 -17.865 -6.440 1.00 0.00 O ATOM 62 CB LEU A 64 9.701 -16.311 -9.184 1.00 0.00 C ATOM 63 CG LEU A 64 8.262 -16.224 -8.676 1.00 0.00 C ATOM 64 CD1 LEU A 64 7.807 -14.775 -8.606 1.00 0.00 C ATOM 65 CD2 LEU A 64 7.332 -17.035 -9.567 1.00 0.00 C ATOM 0 H LEU A 64 9.429 -19.269 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 64 11.511 -17.469 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.223 -15.399 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.680 -16.335 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 64 8.226 -16.643 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.780 -14.733 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.456 -14.222 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.858 -14.329 -9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.312 -16.962 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.372 -16.646 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.645 -18.079 -9.565 1.00 0.00 H new ATOM 77 N ALA A 65 11.794 -16.931 -6.713 1.00 0.00 N ATOM 78 CA ALA A 65 12.054 -16.815 -5.283 1.00 0.00 C ATOM 79 C ALA A 65 13.201 -15.848 -5.011 1.00 0.00 C ATOM 80 O ALA A 65 14.210 -16.219 -4.411 1.00 0.00 O ATOM 81 CB ALA A 65 12.362 -18.182 -4.690 1.00 0.00 C ATOM 0 H ALA A 65 12.546 -16.584 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 65 11.158 -16.418 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.554 -18.080 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.511 -18.846 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.242 -18.601 -5.179 1.00 0.00 H new ATOM 87 N HIS A 66 13.039 -14.605 -5.455 1.00 0.00 N ATOM 88 CA HIS A 66 14.061 -13.584 -5.259 1.00 0.00 C ATOM 89 C HIS A 66 13.445 -12.188 -5.275 1.00 0.00 C ATOM 90 O HIS A 66 12.268 -12.022 -5.594 1.00 0.00 O ATOM 91 CB HIS A 66 15.135 -13.692 -6.342 1.00 0.00 C ATOM 92 CG HIS A 66 16.533 -13.657 -5.806 1.00 0.00 C ATOM 93 ND1 HIS A 66 16.963 -14.461 -4.771 1.00 0.00 N ATOM 94 CD2 HIS A 66 17.601 -12.908 -6.167 1.00 0.00 C ATOM 95 CE1 HIS A 66 18.235 -14.208 -4.519 1.00 0.00 C ATOM 96 NE2 HIS A 66 18.646 -13.269 -5.353 1.00 0.00 N ATOM 0 H HIS A 66 12.210 -14.281 -5.953 1.00 0.00 H new ATOM 0 HA HIS A 66 14.521 -13.748 -4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 66 14.990 -14.620 -6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 66 15.007 -12.875 -7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 66 17.626 -12.165 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 66 18.836 -14.687 -3.761 1.00 0.00 H new ATOM 0 HE2 HIS A 66 19.587 -12.876 -5.387 1.00 0.00 H new ATOM 104 N HIS A 67 14.249 -11.188 -4.927 1.00 0.00 N ATOM 105 CA HIS A 67 13.782 -9.806 -4.901 1.00 0.00 C ATOM 106 C HIS A 67 13.103 -9.437 -6.217 1.00 0.00 C ATOM 107 O HIS A 67 13.529 -9.868 -7.289 1.00 0.00 O ATOM 108 CB HIS A 67 14.950 -8.856 -4.632 1.00 0.00 C ATOM 109 CG HIS A 67 15.211 -8.626 -3.176 1.00 0.00 C ATOM 110 ND1 HIS A 67 14.773 -7.507 -2.500 1.00 0.00 N ATOM 111 CD2 HIS A 67 15.869 -9.380 -2.264 1.00 0.00 C ATOM 112 CE1 HIS A 67 15.151 -7.581 -1.237 1.00 0.00 C ATOM 113 NE2 HIS A 67 15.818 -8.709 -1.067 1.00 0.00 N ATOM 0 H HIS A 67 15.226 -11.309 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 67 13.053 -9.710 -4.097 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.850 -9.260 -5.095 1.00 0.00 H new ATOM 0 HB3 HIS A 67 14.747 -7.899 -5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.345 -10.332 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.949 -6.845 -0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.228 -9.029 -0.190 1.00 0.00 H new ATOM 121 N PHE A 68 12.045 -8.638 -6.127 1.00 0.00 N ATOM 122 CA PHE A 68 11.306 -8.213 -7.310 1.00 0.00 C ATOM 123 C PHE A 68 11.971 -7.003 -7.961 1.00 0.00 C ATOM 124 O PHE A 68 12.609 -6.195 -7.287 1.00 0.00 O ATOM 125 CB PHE A 68 9.860 -7.877 -6.941 1.00 0.00 C ATOM 126 CG PHE A 68 9.289 -6.735 -7.731 1.00 0.00 C ATOM 127 CD1 PHE A 68 9.431 -5.429 -7.288 1.00 0.00 C ATOM 128 CD2 PHE A 68 8.610 -6.966 -8.916 1.00 0.00 C ATOM 129 CE1 PHE A 68 8.907 -4.375 -8.013 1.00 0.00 C ATOM 130 CE2 PHE A 68 8.085 -5.916 -9.646 1.00 0.00 C ATOM 131 CZ PHE A 68 8.232 -4.619 -9.193 1.00 0.00 C ATOM 0 H PHE A 68 11.680 -8.272 -5.248 1.00 0.00 H new ATOM 0 HA PHE A 68 11.309 -9.036 -8.025 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.240 -8.760 -7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.812 -7.634 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.957 -5.233 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.489 -7.978 -9.274 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.025 -3.362 -7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.560 -6.109 -10.570 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.820 -3.798 -9.760 1.00 0.00 H new ATOM 141 N SER A 69 11.816 -6.887 -9.276 1.00 0.00 N ATOM 142 CA SER A 69 12.404 -5.780 -10.020 1.00 0.00 C ATOM 143 C SER A 69 11.623 -5.511 -11.303 1.00 0.00 C ATOM 144 O SER A 69 10.614 -6.160 -11.574 1.00 0.00 O ATOM 145 CB SER A 69 13.867 -6.081 -10.354 1.00 0.00 C ATOM 146 OG SER A 69 14.693 -5.926 -9.213 1.00 0.00 O ATOM 0 H SER A 69 11.288 -7.546 -9.848 1.00 0.00 H new ATOM 0 HA SER A 69 12.358 -4.889 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.954 -7.099 -10.735 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.207 -5.414 -11.146 1.00 0.00 H new ATOM 0 HG SER A 69 14.134 -5.859 -8.411 1.00 0.00 H new ATOM 152 N GLU A 70 12.098 -4.548 -12.087 1.00 0.00 N ATOM 153 CA GLU A 70 11.444 -4.193 -13.341 1.00 0.00 C ATOM 154 C GLU A 70 12.426 -3.521 -14.296 1.00 0.00 C ATOM 155 O GLU A 70 12.329 -2.329 -14.590 1.00 0.00 O ATOM 156 CB GLU A 70 10.256 -3.265 -13.076 1.00 0.00 C ATOM 157 CG GLU A 70 8.998 -3.996 -12.641 1.00 0.00 C ATOM 158 CD GLU A 70 7.769 -3.108 -12.667 1.00 0.00 C ATOM 159 OE1 GLU A 70 7.933 -1.870 -12.708 1.00 0.00 O ATOM 160 OE2 GLU A 70 6.644 -3.649 -12.647 1.00 0.00 O ATOM 0 H GLU A 70 12.932 -4.000 -11.876 1.00 0.00 H new ATOM 0 HA GLU A 70 11.083 -5.110 -13.806 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.533 -2.545 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.041 -2.696 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.836 -4.853 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.139 -4.386 -11.633 1.00 0.00 H new ATOM 167 N PRO A 71 13.397 -4.302 -14.792 1.00 0.00 N ATOM 168 CA PRO A 71 14.416 -3.805 -15.721 1.00 0.00 C ATOM 169 C PRO A 71 13.840 -3.481 -17.095 1.00 0.00 C ATOM 170 O PRO A 71 14.495 -2.842 -17.917 1.00 0.00 O ATOM 171 CB PRO A 71 15.406 -4.968 -15.817 1.00 0.00 C ATOM 172 CG PRO A 71 14.602 -6.178 -15.487 1.00 0.00 C ATOM 173 CD PRO A 71 13.574 -5.731 -14.485 1.00 0.00 C ATOM 0 HA PRO A 71 14.864 -2.874 -15.374 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.837 -5.039 -16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.235 -4.841 -15.120 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.126 -6.586 -16.379 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.233 -6.965 -15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.641 -6.284 -14.593 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.918 -5.883 -13.462 1.00 0.00 H new ATOM 181 N GLU A 72 12.610 -3.926 -17.336 1.00 0.00 N ATOM 182 CA GLU A 72 11.947 -3.683 -18.611 1.00 0.00 C ATOM 183 C GLU A 72 11.403 -2.259 -18.678 1.00 0.00 C ATOM 184 O GLU A 72 10.244 -2.042 -19.033 1.00 0.00 O ATOM 185 CB GLU A 72 10.810 -4.685 -18.819 1.00 0.00 C ATOM 186 CG GLU A 72 11.203 -6.122 -18.522 1.00 0.00 C ATOM 187 CD GLU A 72 10.694 -7.095 -19.568 1.00 0.00 C ATOM 188 OE1 GLU A 72 9.516 -6.979 -19.964 1.00 0.00 O ATOM 189 OE2 GLU A 72 11.476 -7.972 -19.991 1.00 0.00 O ATOM 0 H GLU A 72 12.054 -4.456 -16.665 1.00 0.00 H new ATOM 0 HA GLU A 72 12.683 -3.810 -19.404 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.971 -4.407 -18.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.462 -4.618 -19.850 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.289 -6.193 -18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.812 -6.407 -17.545 1.00 0.00 H new ATOM 196 N ILE A 73 12.248 -1.292 -18.335 1.00 0.00 N ATOM 197 CA ILE A 73 11.853 0.111 -18.357 1.00 0.00 C ATOM 198 C ILE A 73 11.490 0.558 -19.770 1.00 0.00 C ATOM 199 O ILE A 73 10.344 0.915 -20.045 1.00 0.00 O ATOM 200 CB ILE A 73 12.972 1.019 -17.815 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.426 0.538 -16.436 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.496 2.463 -17.748 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.892 0.169 -16.377 1.00 0.00 C ATOM 0 H ILE A 73 13.210 -1.455 -18.039 1.00 0.00 H new ATOM 0 HA ILE A 73 10.978 0.203 -17.713 1.00 0.00 H new ATOM 0 HB ILE A 73 13.823 0.968 -18.495 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.227 1.320 -15.704 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.830 -0.328 -16.148 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.298 3.093 -17.363 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.217 2.801 -18.746 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.632 2.531 -17.087 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.143 -0.163 -15.370 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.094 -0.635 -17.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.497 1.039 -16.634 1.00 0.00 H new ATOM 215 N THR A 74 12.474 0.534 -20.663 1.00 0.00 N ATOM 216 CA THR A 74 12.259 0.936 -22.047 1.00 0.00 C ATOM 217 C THR A 74 11.018 0.269 -22.627 1.00 0.00 C ATOM 218 O THR A 74 10.251 0.892 -23.362 1.00 0.00 O ATOM 219 CB THR A 74 13.474 0.588 -22.928 1.00 0.00 C ATOM 220 OG1 THR A 74 14.660 1.177 -22.383 1.00 0.00 O ATOM 221 CG2 THR A 74 13.267 1.078 -24.353 1.00 0.00 C ATOM 0 H THR A 74 13.428 0.240 -20.452 1.00 0.00 H new ATOM 0 HA THR A 74 12.119 2.017 -22.044 1.00 0.00 H new ATOM 0 HB THR A 74 13.583 -0.496 -22.946 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.428 0.949 -22.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.138 0.821 -24.956 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.380 0.605 -24.775 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.134 2.160 -24.350 1.00 0.00 H new ATOM 229 N LEU A 75 10.824 -1.002 -22.292 1.00 0.00 N ATOM 230 CA LEU A 75 9.673 -1.755 -22.780 1.00 0.00 C ATOM 231 C LEU A 75 8.368 -1.067 -22.392 1.00 0.00 C ATOM 232 O LEU A 75 7.517 -0.804 -23.242 1.00 0.00 O ATOM 233 CB LEU A 75 9.697 -3.179 -22.222 1.00 0.00 C ATOM 234 CG LEU A 75 10.689 -4.140 -22.878 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.572 -5.528 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.461 -4.197 -24.382 1.00 0.00 C ATOM 0 H LEU A 75 11.448 -1.533 -21.685 1.00 0.00 H new ATOM 0 HA LEU A 75 9.731 -1.796 -23.868 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.923 -3.127 -21.157 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.697 -3.601 -22.316 1.00 0.00 H new ATOM 0 HG LEU A 75 11.698 -3.770 -22.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.286 -6.198 -22.747 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.785 -5.475 -21.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.561 -5.907 -22.417 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.176 -4.886 -24.833 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.447 -4.543 -24.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.597 -3.203 -24.808 1.00 0.00 H new ATOM 248 N ILE A 76 8.219 -0.776 -21.104 1.00 0.00 N ATOM 249 CA ILE A 76 7.020 -0.115 -20.605 1.00 0.00 C ATOM 250 C ILE A 76 6.777 1.205 -21.329 1.00 0.00 C ATOM 251 O ILE A 76 5.654 1.502 -21.739 1.00 0.00 O ATOM 252 CB ILE A 76 7.114 0.153 -19.091 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.193 -1.166 -18.321 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.921 0.975 -18.624 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.997 -2.067 -18.541 1.00 0.00 C ATOM 0 H ILE A 76 8.914 -0.988 -20.388 1.00 0.00 H new ATOM 0 HA ILE A 76 6.186 -0.790 -20.796 1.00 0.00 H new ATOM 0 HB ILE A 76 8.023 0.722 -18.893 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.097 -1.697 -18.618 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.285 -0.951 -17.256 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.001 1.156 -17.552 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.906 1.928 -19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.000 0.430 -18.832 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.121 -2.984 -17.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.091 -1.555 -18.217 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.916 -2.312 -19.600 1.00 0.00 H new ATOM 267 N ILE A 77 7.836 1.991 -21.485 1.00 0.00 N ATOM 268 CA ILE A 77 7.739 3.278 -22.163 1.00 0.00 C ATOM 269 C ILE A 77 7.296 3.104 -23.612 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.771 -24.074 1.00 0.00 O ATOM 271 CB ILE A 77 9.081 4.032 -22.135 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.470 4.372 -20.695 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.997 5.295 -22.980 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.592 5.431 -20.066 1.00 0.00 C ATOM 0 H ILE A 77 8.772 1.760 -21.151 1.00 0.00 H new ATOM 0 HA ILE A 77 6.993 3.862 -21.625 1.00 0.00 H new ATOM 0 HB ILE A 77 9.852 3.387 -22.557 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.422 3.466 -20.091 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.505 4.713 -20.678 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.953 5.817 -22.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.761 5.028 -24.010 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.216 5.945 -22.586 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.926 5.621 -19.046 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.658 6.351 -20.647 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.558 5.085 -20.051 1.00 0.00 H new ATOM 286 N PHE A 78 7.963 2.201 -24.324 1.00 0.00 N ATOM 287 CA PHE A 78 7.638 1.938 -25.721 1.00 0.00 C ATOM 288 C PHE A 78 6.162 1.580 -25.878 1.00 0.00 C ATOM 289 O PHE A 78 5.475 2.106 -26.753 1.00 0.00 O ATOM 290 CB PHE A 78 8.509 0.803 -26.264 1.00 0.00 C ATOM 291 CG PHE A 78 8.087 0.320 -27.622 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.557 0.939 -28.769 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.219 -0.752 -27.751 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.170 0.497 -30.020 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.829 -1.199 -29.000 1.00 0.00 C ATOM 296 CZ PHE A 78 7.304 -0.573 -30.136 1.00 0.00 C ATOM 0 H PHE A 78 8.731 1.640 -23.957 1.00 0.00 H new ATOM 0 HA PHE A 78 7.837 2.845 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.544 1.142 -26.313 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.480 -0.033 -25.565 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.234 1.777 -28.685 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.843 -1.244 -26.866 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.544 0.988 -30.906 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.153 -2.037 -29.087 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.999 -0.919 -31.113 1.00 0.00 H new ATOM 306 N GLY A 79 5.683 0.682 -25.023 1.00 0.00 N ATOM 307 CA GLY A 79 4.293 0.269 -25.084 1.00 0.00 C ATOM 308 C GLY A 79 3.335 1.437 -24.962 1.00 0.00 C ATOM 309 O GLY A 79 2.465 1.627 -25.812 1.00 0.00 O ATOM 0 H GLY A 79 6.232 0.233 -24.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.112 -0.248 -26.026 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.094 -0.445 -24.285 1.00 0.00 H new ATOM 313 N VAL A 80 3.492 2.222 -23.901 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.377 -23.670 1.00 0.00 C ATOM 315 C VAL A 80 2.782 4.404 -24.787 1.00 0.00 C ATOM 316 O VAL A 80 1.819 5.069 -25.164 1.00 0.00 O ATOM 317 CB VAL A 80 2.951 4.052 -22.322 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.000 5.212 -22.069 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.881 3.038 -21.190 1.00 0.00 C ATOM 0 H VAL A 80 4.206 2.078 -23.187 1.00 0.00 H new ATOM 0 HA VAL A 80 1.608 3.010 -23.651 1.00 0.00 H new ATOM 0 HB VAL A 80 3.966 4.448 -22.363 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.239 5.677 -21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.104 5.948 -22.866 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.974 4.844 -22.047 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.108 3.532 -20.245 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.879 2.611 -21.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.244 -21.368 1.00 0.00 H new ATOM 329 N MET A 81 3.997 4.527 -25.312 1.00 0.00 N ATOM 330 CA MET A 81 4.272 5.472 -26.389 1.00 0.00 C ATOM 331 C MET A 81 3.535 5.073 -27.663 1.00 0.00 C ATOM 332 O MET A 81 2.900 5.906 -28.310 1.00 0.00 O ATOM 333 CB MET A 81 5.776 5.549 -26.657 1.00 0.00 C ATOM 334 CG MET A 81 6.535 6.375 -25.632 1.00 0.00 C ATOM 335 SD MET A 81 7.356 7.805 -26.363 1.00 0.00 S ATOM 336 CE MET A 81 5.944 8.796 -26.845 1.00 0.00 C ATOM 0 H MET A 81 4.806 3.985 -25.010 1.00 0.00 H new ATOM 0 HA MET A 81 3.916 6.454 -26.078 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.186 4.539 -26.673 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.939 5.975 -27.647 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.844 6.713 -24.860 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.278 5.746 -25.142 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.289 9.717 -27.314 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.331 8.237 -27.552 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.351 9.038 -25.963 1.00 0.00 H new ATOM 346 N ALA A 82 3.625 3.796 -28.018 1.00 0.00 N ATOM 347 CA ALA A 82 2.965 3.287 -29.215 1.00 0.00 C ATOM 348 C ALA A 82 1.448 3.357 -29.077 1.00 0.00 C ATOM 349 O ALA A 82 0.752 3.800 -29.990 1.00 0.00 O ATOM 350 CB ALA A 82 3.406 1.858 -29.494 1.00 0.00 C ATOM 0 H ALA A 82 4.148 3.094 -27.494 1.00 0.00 H new ATOM 0 HA ALA A 82 3.257 3.916 -30.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.905 1.491 -30.390 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.485 1.833 -29.645 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.144 1.224 -28.647 1.00 0.00 H new ATOM 356 N GLY A 83 0.941 2.917 -27.929 1.00 0.00 N ATOM 357 CA GLY A 83 -0.490 2.938 -27.694 1.00 0.00 C ATOM 358 C GLY A 83 -1.066 4.339 -27.744 1.00 0.00 C ATOM 359 O GLY A 83 -2.042 4.593 -28.451 1.00 0.00 O ATOM 0 H GLY A 83 1.496 2.546 -27.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.987 2.318 -28.440 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.702 2.496 -26.720 1.00 0.00 H new ATOM 363 N VAL A 84 -0.462 5.253 -26.991 1.00 0.00 N ATOM 364 CA VAL A 84 -0.920 6.636 -26.952 1.00 0.00 C ATOM 365 C VAL A 84 -1.000 7.229 -28.354 1.00 0.00 C ATOM 366 O VAL A 84 -2.056 7.693 -28.784 1.00 0.00 O ATOM 367 CB VAL A 84 0.008 7.511 -26.088 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.308 8.985 -26.290 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.111 7.127 -24.621 1.00 0.00 C ATOM 0 H VAL A 84 0.346 5.060 -26.399 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.915 6.627 -26.508 1.00 0.00 H new ATOM 0 HB VAL A 84 1.038 7.339 -26.402 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.357 9.588 -25.672 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.166 9.247 -27.338 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.342 9.178 -26.005 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.551 7.755 -24.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.140 7.269 -24.290 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.170 6.081 -24.495 1.00 0.00 H new ATOM 379 N ILE A 85 0.124 7.209 -29.063 1.00 0.00 N ATOM 380 CA ILE A 85 0.181 7.743 -30.418 1.00 0.00 C ATOM 381 C ILE A 85 -0.862 7.083 -31.314 1.00 0.00 C ATOM 382 O ILE A 85 -1.520 7.748 -32.112 1.00 0.00 O ATOM 383 CB ILE A 85 1.575 7.546 -31.043 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.643 8.229 -30.185 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.601 8.090 -32.463 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.049 7.759 -30.484 1.00 0.00 C ATOM 0 H ILE A 85 1.007 6.829 -28.722 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.029 8.810 -30.345 1.00 0.00 H new ATOM 0 HB ILE A 85 1.793 6.479 -31.080 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.588 9.306 -30.340 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.424 8.047 -29.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.593 7.943 -32.891 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.863 7.563 -33.068 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.366 9.154 -32.449 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.753 8.285 -29.839 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.121 6.687 -30.301 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.288 7.966 -31.527 1.00 0.00 H new ATOM 398 N GLY A 86 -1.009 5.769 -31.173 1.00 0.00 N ATOM 399 CA GLY A 86 -1.976 5.040 -31.974 1.00 0.00 C ATOM 400 C GLY A 86 -3.387 5.565 -31.799 1.00 0.00 C ATOM 401 O GLY A 86 -4.071 5.869 -32.777 1.00 0.00 O ATOM 0 H GLY A 86 -0.476 5.196 -30.519 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.695 5.105 -33.025 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.948 3.985 -31.701 1.00 0.00 H new ATOM 405 N THR A 87 -3.827 5.670 -30.548 1.00 0.00 N ATOM 406 CA THR A 87 -5.167 6.158 -30.248 1.00 0.00 C ATOM 407 C THR A 87 -5.391 7.546 -30.837 1.00 0.00 C ATOM 408 O THR A 87 -6.428 7.812 -31.446 1.00 0.00 O ATOM 409 CB THR A 87 -5.418 6.211 -28.729 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.843 5.062 -28.097 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.909 6.268 -28.429 1.00 0.00 C ATOM 0 H THR A 87 -3.274 5.423 -29.727 1.00 0.00 H new ATOM 0 HA THR A 87 -5.868 5.457 -30.701 1.00 0.00 H new ATOM 0 HB THR A 87 -4.949 7.113 -28.337 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.912 4.290 -28.697 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.062 6.305 -27.350 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.338 7.159 -28.887 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.396 5.381 -28.834 1.00 0.00 H new ATOM 419 N ILE A 88 -4.414 8.427 -30.653 1.00 0.00 N ATOM 420 CA ILE A 88 -4.505 9.787 -31.169 1.00 0.00 C ATOM 421 C ILE A 88 -4.816 9.789 -32.662 1.00 0.00 C ATOM 422 O ILE A 88 -5.746 10.459 -33.112 1.00 0.00 O ATOM 423 CB ILE A 88 -3.201 10.570 -30.926 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.888 10.631 -29.430 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.308 11.971 -31.508 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.426 10.872 -29.128 1.00 0.00 C ATOM 0 H ILE A 88 -3.550 8.223 -30.150 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.317 10.275 -30.631 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.384 10.051 -31.428 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.480 11.425 -28.975 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.198 9.696 -28.964 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.379 12.512 -31.328 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.488 11.906 -32.581 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.134 12.500 -31.032 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.278 10.903 -28.049 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.829 10.065 -29.553 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.116 11.821 -29.564 1.00 0.00 H new ATOM 438 N LEU A 89 -4.032 9.035 -33.425 1.00 0.00 N ATOM 439 CA LEU A 89 -4.224 8.948 -34.868 1.00 0.00 C ATOM 440 C LEU A 89 -5.642 8.493 -35.202 1.00 0.00 C ATOM 441 O LEU A 89 -6.348 9.143 -35.974 1.00 0.00 O ATOM 442 CB LEU A 89 -3.209 7.982 -35.480 1.00 0.00 C ATOM 443 CG LEU A 89 -1.779 8.508 -35.615 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.789 7.354 -35.669 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.647 9.384 -36.852 1.00 0.00 C ATOM 0 H LEU A 89 -3.258 8.475 -33.068 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.072 9.941 -35.291 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.186 7.077 -34.872 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.563 7.693 -36.469 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.551 9.115 -34.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.223 7.747 -35.765 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.865 6.767 -34.754 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.015 6.720 -36.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.623 9.749 -36.932 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.894 8.801 -37.739 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.329 10.231 -36.773 1.00 0.00 H new ATOM 457 N LEU A 90 -6.052 7.375 -34.614 1.00 0.00 N ATOM 458 CA LEU A 90 -7.386 6.833 -34.847 1.00 0.00 C ATOM 459 C LEU A 90 -8.459 7.856 -34.489 1.00 0.00 C ATOM 460 O LEU A 90 -9.347 8.147 -35.292 1.00 0.00 O ATOM 461 CB LEU A 90 -7.590 5.556 -34.030 1.00 0.00 C ATOM 462 CG LEU A 90 -6.681 4.379 -34.387 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.945 3.201 -33.462 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.878 3.974 -35.840 1.00 0.00 C ATOM 0 H LEU A 90 -5.480 6.826 -33.972 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.475 6.596 -35.907 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.444 5.795 -32.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.626 5.237 -34.144 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.645 4.692 -34.256 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.289 2.373 -33.731 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.751 3.497 -32.431 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.984 2.887 -33.560 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.223 3.135 -36.076 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.916 3.680 -35.998 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.637 4.816 -36.488 1.00 0.00 H new ATOM 476 N ILE A 91 -8.370 8.400 -33.280 1.00 0.00 N ATOM 477 CA ILE A 91 -9.332 9.393 -32.817 1.00 0.00 C ATOM 478 C ILE A 91 -9.409 10.574 -33.779 1.00 0.00 C ATOM 479 O ILE A 91 -10.495 10.988 -34.184 1.00 0.00 O ATOM 480 CB ILE A 91 -8.972 9.913 -31.413 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.714 9.110 -30.342 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.302 11.394 -31.295 1.00 0.00 C ATOM 483 CD1 ILE A 91 -9.497 7.617 -30.449 1.00 0.00 C ATOM 0 H ILE A 91 -7.642 8.170 -32.604 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.302 8.897 -32.775 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.900 9.786 -31.259 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.390 9.447 -29.357 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.781 9.320 -30.416 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.042 11.746 -30.297 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.733 11.954 -32.037 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.368 11.544 -31.466 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.052 7.111 -29.659 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.847 7.267 -31.420 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.435 7.395 -30.345 1.00 0.00 H new ATOM 495 N SER A 92 -8.248 11.111 -34.143 1.00 0.00 N ATOM 496 CA SER A 92 -8.184 12.245 -35.057 1.00 0.00 C ATOM 497 C SER A 92 -8.914 11.935 -36.360 1.00 0.00 C ATOM 498 O SER A 92 -9.462 12.829 -37.006 1.00 0.00 O ATOM 499 CB SER A 92 -6.727 12.610 -35.350 1.00 0.00 C ATOM 500 OG SER A 92 -6.645 13.705 -36.244 1.00 0.00 O ATOM 0 H SER A 92 -7.340 10.779 -33.819 1.00 0.00 H new ATOM 0 HA SER A 92 -8.675 13.093 -34.579 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.217 12.858 -34.419 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.212 11.749 -35.776 1.00 0.00 H new ATOM 0 HG SER A 92 -5.704 13.919 -36.414 1.00 0.00 H new ATOM 506 N TYR A 93 -8.917 10.662 -36.741 1.00 0.00 N ATOM 507 CA TYR A 93 -9.577 10.233 -37.968 1.00 0.00 C ATOM 508 C TYR A 93 -11.095 10.270 -37.812 1.00 0.00 C ATOM 509 O TYR A 93 -11.819 10.599 -38.751 1.00 0.00 O ATOM 510 CB TYR A 93 -9.127 8.821 -38.347 1.00 0.00 C ATOM 511 CG TYR A 93 -8.108 8.790 -39.464 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.371 9.394 -40.688 1.00 0.00 C ATOM 513 CD2 TYR A 93 -6.882 8.158 -39.295 1.00 0.00 C ATOM 514 CE1 TYR A 93 -7.443 9.367 -41.711 1.00 0.00 C ATOM 515 CE2 TYR A 93 -5.948 8.128 -40.313 1.00 0.00 C ATOM 516 CZ TYR A 93 -6.234 8.733 -41.519 1.00 0.00 C ATOM 517 OH TYR A 93 -5.306 8.706 -42.535 1.00 0.00 O ATOM 0 H TYR A 93 -8.470 9.910 -36.218 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.294 10.923 -38.763 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.705 8.335 -37.468 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.999 8.239 -38.645 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.317 9.893 -40.842 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.655 7.682 -38.352 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.664 9.840 -42.656 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.999 7.634 -40.165 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.508 8.221 -42.237 1.00 0.00 H new ATOM 527 N GLY A 94 -11.569 9.930 -36.617 1.00 0.00 N ATOM 528 CA GLY A 94 -12.997 9.931 -36.358 1.00 0.00 C ATOM 529 C GLY A 94 -13.598 11.321 -36.431 1.00 0.00 C ATOM 530 O GLY A 94 -14.721 11.494 -36.907 1.00 0.00 O ATOM 0 H GLY A 94 -10.990 9.654 -35.824 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.495 9.285 -37.081 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.184 9.509 -35.371 1.00 0.00 H new ATOM 534 N ILE A 95 -12.851 12.312 -35.957 1.00 0.00 N ATOM 535 CA ILE A 95 -13.318 13.693 -35.970 1.00 0.00 C ATOM 536 C ILE A 95 -13.474 14.208 -37.397 1.00 0.00 C ATOM 537 O ILE A 95 -14.344 15.031 -37.679 1.00 0.00 O ATOM 538 CB ILE A 95 -12.356 14.620 -35.204 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.228 14.168 -33.748 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.839 16.061 -35.276 1.00 0.00 C ATOM 541 CD1 ILE A 95 -11.087 14.830 -33.007 1.00 0.00 C ATOM 0 H ILE A 95 -11.920 12.185 -35.559 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.289 13.702 -35.475 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.372 14.563 -35.670 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -13.161 14.381 -33.227 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.088 13.087 -33.723 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.149 16.704 -34.730 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.883 16.378 -36.318 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.832 16.135 -34.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.057 14.462 -31.981 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.146 14.596 -33.504 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.235 15.910 -33.001 1.00 0.00 H new ATOM 553 N ARG A 96 -12.625 13.715 -38.293 1.00 0.00 N ATOM 554 CA ARG A 96 -12.668 14.125 -39.692 1.00 0.00 C ATOM 555 C ARG A 96 -13.848 13.477 -40.411 1.00 0.00 C ATOM 556 O ARG A 96 -14.532 14.121 -41.207 1.00 0.00 O ATOM 557 CB ARG A 96 -11.361 13.753 -40.395 1.00 0.00 C ATOM 558 CG ARG A 96 -10.782 14.877 -41.238 1.00 0.00 C ATOM 559 CD ARG A 96 -11.736 15.288 -42.348 1.00 0.00 C ATOM 560 NE ARG A 96 -11.025 15.728 -43.546 1.00 0.00 N ATOM 561 CZ ARG A 96 -10.423 16.908 -43.651 1.00 0.00 C ATOM 562 NH1 ARG A 96 -10.445 17.760 -42.636 1.00 0.00 N ATOM 563 NH2 ARG A 96 -9.796 17.236 -44.773 1.00 0.00 N ATOM 0 H ARG A 96 -11.900 13.032 -38.076 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.794 15.207 -39.725 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.627 13.457 -39.646 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.535 12.885 -41.031 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.569 15.737 -40.603 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.834 14.558 -41.671 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.384 14.448 -42.599 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.380 16.092 -41.993 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.989 15.095 -44.345 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.925 17.511 -41.771 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.982 18.665 -42.720 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.776 16.582 -45.556 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.334 18.142 -44.853 1.00 0.00 H new ATOM 577 N ARG A 97 -14.079 12.200 -40.127 1.00 0.00 N ATOM 578 CA ARG A 97 -15.174 11.465 -40.748 1.00 0.00 C ATOM 579 C ARG A 97 -14.975 11.366 -42.258 1.00 0.00 C ATOM 580 O ARG A 97 -15.941 11.296 -43.019 1.00 0.00 O ATOM 581 CB ARG A 97 -16.510 12.143 -40.442 1.00 0.00 C ATOM 582 CG ARG A 97 -17.714 11.241 -40.656 1.00 0.00 C ATOM 583 CD ARG A 97 -18.030 10.430 -39.409 1.00 0.00 C ATOM 584 NE ARG A 97 -17.167 9.258 -39.285 1.00 0.00 N ATOM 585 CZ ARG A 97 -17.081 8.522 -38.182 1.00 0.00 C ATOM 586 NH1 ARG A 97 -17.803 8.834 -37.115 1.00 0.00 N ATOM 587 NH2 ARG A 97 -16.272 7.471 -38.146 1.00 0.00 N ATOM 0 H ARG A 97 -13.522 11.653 -39.471 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.183 10.457 -40.333 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.504 12.488 -39.408 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.612 13.027 -41.072 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.579 11.846 -40.927 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.522 10.567 -41.491 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.914 11.061 -38.527 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.072 10.111 -39.438 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.599 8.990 -40.089 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.427 9.641 -37.139 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.735 8.267 -36.270 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.715 7.227 -38.965 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.207 6.907 -37.299 1.00 0.00 H new ATOM 601 N LEU A 98 -13.717 11.361 -42.684 1.00 0.00 N ATOM 602 CA LEU A 98 -13.390 11.272 -44.103 1.00 0.00 C ATOM 603 C LEU A 98 -13.558 9.843 -44.612 1.00 0.00 C ATOM 604 O LEU A 98 -14.113 9.650 -45.692 1.00 0.00 O ATOM 605 CB LEU A 98 -11.957 11.747 -44.348 1.00 0.00 C ATOM 606 CG LEU A 98 -11.670 12.327 -45.734 1.00 0.00 C ATOM 607 CD1 LEU A 98 -10.249 12.864 -45.804 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.898 11.275 -46.810 1.00 0.00 C ATOM 0 H LEU A 98 -12.906 11.418 -42.067 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.078 11.917 -44.650 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.714 12.504 -43.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.283 10.907 -44.181 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.358 13.154 -45.910 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.063 13.273 -46.797 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.119 13.649 -45.059 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.545 12.056 -45.606 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.689 11.705 -47.789 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.235 10.428 -46.637 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.934 10.938 -46.775 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 28.986 -12.382 -16.324 1.00 0.00 N ATOM 622 CA ARG B 61 28.123 -13.497 -16.696 1.00 0.00 C ATOM 623 C ARG B 61 28.774 -14.830 -16.340 1.00 0.00 C ATOM 624 O ARG B 61 28.671 -15.803 -17.088 1.00 0.00 O ATOM 625 CB ARG B 61 27.814 -13.452 -18.194 1.00 0.00 C ATOM 626 CG ARG B 61 26.746 -12.436 -18.565 1.00 0.00 C ATOM 627 CD ARG B 61 27.333 -11.042 -18.717 1.00 0.00 C ATOM 628 NE ARG B 61 26.485 -10.177 -19.534 1.00 0.00 N ATOM 629 CZ ARG B 61 26.663 -8.865 -19.644 1.00 0.00 C ATOM 630 NH1 ARG B 61 27.653 -8.270 -18.993 1.00 0.00 N ATOM 631 NH2 ARG B 61 25.850 -8.146 -20.406 1.00 0.00 N ATOM 0 HA ARG B 61 27.192 -13.406 -16.137 1.00 0.00 H new ATOM 0 HB2 ARG B 61 28.729 -13.220 -18.738 1.00 0.00 H new ATOM 0 HB3 ARG B 61 27.492 -14.441 -18.520 1.00 0.00 H new ATOM 0 HG2 ARG B 61 26.267 -12.734 -19.498 1.00 0.00 H new ATOM 0 HG3 ARG B 61 25.971 -12.424 -17.798 1.00 0.00 H new ATOM 0 HD2 ARG B 61 27.465 -10.595 -17.732 1.00 0.00 H new ATOM 0 HD3 ARG B 61 28.322 -11.112 -19.170 1.00 0.00 H new ATOM 0 HE ARG B 61 25.714 -10.604 -20.048 1.00 0.00 H new ATOM 0 HH11 ARG B 61 28.280 -8.820 -18.406 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.787 -7.263 -19.079 1.00 0.00 H new ATOM 0 HH21 ARG B 61 25.087 -8.600 -20.908 1.00 0.00 H new ATOM 0 HH22 ARG B 61 25.987 -7.139 -20.490 1.00 0.00 H new ATOM 645 N VAL B 62 29.445 -14.868 -15.193 1.00 0.00 N ATOM 646 CA VAL B 62 30.112 -16.081 -14.737 1.00 0.00 C ATOM 647 C VAL B 62 29.322 -16.757 -13.621 1.00 0.00 C ATOM 648 O VAL B 62 29.376 -16.335 -12.466 1.00 0.00 O ATOM 649 CB VAL B 62 31.537 -15.783 -14.234 1.00 0.00 C ATOM 650 CG1 VAL B 62 32.234 -17.068 -13.813 1.00 0.00 C ATOM 651 CG2 VAL B 62 32.338 -15.058 -15.304 1.00 0.00 C ATOM 0 H VAL B 62 29.541 -14.072 -14.563 1.00 0.00 H new ATOM 0 HA VAL B 62 30.170 -16.751 -15.595 1.00 0.00 H new ATOM 0 HB VAL B 62 31.468 -15.133 -13.362 1.00 0.00 H new ATOM 0 HG11 VAL B 62 33.239 -16.838 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL B 62 31.668 -17.543 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL B 62 32.294 -17.745 -14.665 1.00 0.00 H new ATOM 0 HG21 VAL B 62 33.342 -14.855 -14.932 1.00 0.00 H new ATOM 0 HG22 VAL B 62 32.401 -15.681 -16.196 1.00 0.00 H new ATOM 0 HG23 VAL B 62 31.846 -14.117 -15.552 1.00 0.00 H new ATOM 661 N GLN B 63 28.588 -17.807 -13.975 1.00 0.00 N ATOM 662 CA GLN B 63 27.787 -18.541 -13.003 1.00 0.00 C ATOM 663 C GLN B 63 26.709 -17.646 -12.399 1.00 0.00 C ATOM 664 O GLN B 63 26.890 -16.433 -12.280 1.00 0.00 O ATOM 665 CB GLN B 63 28.679 -19.103 -11.895 1.00 0.00 C ATOM 666 CG GLN B 63 27.903 -19.637 -10.702 1.00 0.00 C ATOM 667 CD GLN B 63 27.012 -20.810 -11.062 1.00 0.00 C ATOM 668 OE1 GLN B 63 27.137 -21.391 -12.141 1.00 0.00 O ATOM 669 NE2 GLN B 63 26.106 -21.164 -10.159 1.00 0.00 N ATOM 0 H GLN B 63 28.532 -18.168 -14.927 1.00 0.00 H new ATOM 0 HA GLN B 63 27.300 -19.367 -13.521 1.00 0.00 H new ATOM 0 HB2 GLN B 63 29.294 -19.904 -12.306 1.00 0.00 H new ATOM 0 HB3 GLN B 63 29.359 -18.321 -11.556 1.00 0.00 H new ATOM 0 HG2 GLN B 63 28.604 -19.943 -9.925 1.00 0.00 H new ATOM 0 HG3 GLN B 63 27.292 -18.837 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN B 63 26.038 -20.654 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN B 63 25.478 -21.946 -10.346 1.00 0.00 H new ATOM 678 N LEU B 64 25.589 -18.250 -12.020 1.00 0.00 N ATOM 679 CA LEU B 64 24.481 -17.508 -11.428 1.00 0.00 C ATOM 680 C LEU B 64 24.048 -16.361 -12.336 1.00 0.00 C ATOM 681 O LEU B 64 24.553 -15.245 -12.227 1.00 0.00 O ATOM 682 CB LEU B 64 24.882 -16.963 -10.056 1.00 0.00 C ATOM 683 CG LEU B 64 24.418 -17.779 -8.849 1.00 0.00 C ATOM 684 CD1 LEU B 64 25.285 -17.477 -7.636 1.00 0.00 C ATOM 685 CD2 LEU B 64 22.954 -17.497 -8.545 1.00 0.00 C ATOM 0 H LEU B 64 25.423 -19.252 -12.112 1.00 0.00 H new ATOM 0 HA LEU B 64 23.640 -18.191 -11.309 1.00 0.00 H new ATOM 0 HB2 LEU B 64 25.969 -16.886 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU B 64 24.487 -15.952 -9.959 1.00 0.00 H new ATOM 0 HG LEU B 64 24.520 -18.837 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU B 64 24.940 -18.067 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU B 64 26.322 -17.731 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU B 64 25.215 -16.417 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU B 64 22.641 -18.086 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU B 64 22.826 -16.437 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU B 64 22.345 -17.765 -9.408 1.00 0.00 H new ATOM 697 N ALA B 65 23.107 -16.646 -13.231 1.00 0.00 N ATOM 698 CA ALA B 65 22.602 -15.638 -14.155 1.00 0.00 C ATOM 699 C ALA B 65 21.228 -16.024 -14.692 1.00 0.00 C ATOM 700 O ALA B 65 20.935 -15.831 -15.873 1.00 0.00 O ATOM 701 CB ALA B 65 23.582 -15.435 -15.302 1.00 0.00 C ATOM 0 H ALA B 65 22.679 -17.566 -13.335 1.00 0.00 H new ATOM 0 HA ALA B 65 22.499 -14.700 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 65 23.192 -14.680 -15.984 1.00 0.00 H new ATOM 0 HB2 ALA B 65 24.542 -15.105 -14.906 1.00 0.00 H new ATOM 0 HB3 ALA B 65 23.714 -16.375 -15.838 1.00 0.00 H new ATOM 707 N HIS B 66 20.389 -16.571 -13.819 1.00 0.00 N ATOM 708 CA HIS B 66 19.045 -16.985 -14.206 1.00 0.00 C ATOM 709 C HIS B 66 18.185 -15.776 -14.561 1.00 0.00 C ATOM 710 O HIS B 66 18.201 -14.763 -13.861 1.00 0.00 O ATOM 711 CB HIS B 66 18.388 -17.779 -13.076 1.00 0.00 C ATOM 712 CG HIS B 66 17.787 -19.075 -13.526 1.00 0.00 C ATOM 713 ND1 HIS B 66 18.412 -19.928 -14.411 1.00 0.00 N ATOM 714 CD2 HIS B 66 16.610 -19.663 -13.207 1.00 0.00 C ATOM 715 CE1 HIS B 66 17.646 -20.984 -14.617 1.00 0.00 C ATOM 716 NE2 HIS B 66 16.547 -20.848 -13.898 1.00 0.00 N ATOM 0 H HIS B 66 20.616 -16.738 -12.839 1.00 0.00 H new ATOM 0 HA HIS B 66 19.127 -17.621 -15.087 1.00 0.00 H new ATOM 0 HB2 HIS B 66 19.131 -17.981 -12.305 1.00 0.00 H new ATOM 0 HB3 HIS B 66 17.611 -17.167 -12.617 1.00 0.00 H new ATOM 0 HD2 HIS B 66 15.860 -19.273 -12.534 1.00 0.00 H new ATOM 0 HE1 HIS B 66 17.879 -21.817 -15.264 1.00 0.00 H new ATOM 0 HE2 HIS B 66 15.776 -21.515 -13.862 1.00 0.00 H new ATOM 724 N HIS B 67 17.436 -15.889 -15.653 1.00 0.00 N ATOM 725 CA HIS B 67 16.570 -14.804 -16.102 1.00 0.00 C ATOM 726 C HIS B 67 15.675 -14.319 -14.965 1.00 0.00 C ATOM 727 O HIS B 67 14.774 -15.033 -14.523 1.00 0.00 O ATOM 728 CB HIS B 67 15.713 -15.263 -17.282 1.00 0.00 C ATOM 729 CG HIS B 67 15.092 -16.612 -17.083 1.00 0.00 C ATOM 730 ND1 HIS B 67 15.685 -17.782 -17.508 1.00 0.00 N ATOM 731 CD2 HIS B 67 13.926 -16.972 -16.500 1.00 0.00 C ATOM 732 CE1 HIS B 67 14.908 -18.804 -17.196 1.00 0.00 C ATOM 733 NE2 HIS B 67 13.835 -18.340 -16.583 1.00 0.00 N ATOM 0 H HIS B 67 17.411 -16.720 -16.243 1.00 0.00 H new ATOM 0 HA HIS B 67 17.202 -13.975 -16.423 1.00 0.00 H new ATOM 0 HB2 HIS B 67 14.924 -14.531 -17.454 1.00 0.00 H new ATOM 0 HB3 HIS B 67 16.329 -15.285 -18.181 1.00 0.00 H new ATOM 0 HD1 HIS B 67 16.583 -17.848 -17.988 1.00 0.00 H new ATOM 0 HD2 HIS B 67 13.201 -16.308 -16.053 1.00 0.00 H new ATOM 0 HE1 HIS B 67 15.116 -19.843 -17.407 1.00 0.00 H new ATOM 741 N PHE B 68 15.929 -13.102 -14.497 1.00 0.00 N ATOM 742 CA PHE B 68 15.147 -12.522 -13.411 1.00 0.00 C ATOM 743 C PHE B 68 13.694 -12.325 -13.832 1.00 0.00 C ATOM 744 O PHE B 68 12.787 -12.954 -13.287 1.00 0.00 O ATOM 745 CB PHE B 68 15.750 -11.184 -12.978 1.00 0.00 C ATOM 746 CG PHE B 68 15.917 -11.055 -11.491 1.00 0.00 C ATOM 747 CD1 PHE B 68 16.671 -11.976 -10.782 1.00 0.00 C ATOM 748 CD2 PHE B 68 15.318 -10.012 -10.802 1.00 0.00 C ATOM 749 CE1 PHE B 68 16.826 -11.860 -9.413 1.00 0.00 C ATOM 750 CE2 PHE B 68 15.470 -9.891 -9.433 1.00 0.00 C ATOM 751 CZ PHE B 68 16.224 -10.816 -8.738 1.00 0.00 C ATOM 0 H PHE B 68 16.670 -12.498 -14.852 1.00 0.00 H new ATOM 0 HA PHE B 68 15.172 -13.214 -12.569 1.00 0.00 H new ATOM 0 HB2 PHE B 68 16.721 -11.060 -13.457 1.00 0.00 H new ATOM 0 HB3 PHE B 68 15.113 -10.375 -13.336 1.00 0.00 H new ATOM 0 HD1 PHE B 68 17.143 -12.794 -11.305 1.00 0.00 H new ATOM 0 HD2 PHE B 68 14.726 -9.286 -11.340 1.00 0.00 H new ATOM 0 HE1 PHE B 68 17.417 -12.585 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE B 68 14.999 -9.073 -8.907 1.00 0.00 H new ATOM 0 HZ PHE B 68 16.343 -10.723 -7.669 1.00 0.00 H new ATOM 761 N SER B 69 13.480 -11.445 -14.806 1.00 0.00 N ATOM 762 CA SER B 69 12.137 -11.161 -15.298 1.00 0.00 C ATOM 763 C SER B 69 11.538 -12.387 -15.980 1.00 0.00 C ATOM 764 O SER B 69 12.050 -13.498 -15.844 1.00 0.00 O ATOM 765 CB SER B 69 12.168 -9.984 -16.275 1.00 0.00 C ATOM 766 OG SER B 69 10.863 -9.485 -16.513 1.00 0.00 O ATOM 0 H SER B 69 14.219 -10.917 -15.269 1.00 0.00 H new ATOM 0 HA SER B 69 11.511 -10.900 -14.445 1.00 0.00 H new ATOM 0 HB2 SER B 69 12.797 -9.190 -15.873 1.00 0.00 H new ATOM 0 HB3 SER B 69 12.617 -10.300 -17.216 1.00 0.00 H new ATOM 0 HG SER B 69 10.910 -8.732 -17.139 1.00 0.00 H new ATOM 772 N GLU B 70 10.450 -12.175 -16.714 1.00 0.00 N ATOM 773 CA GLU B 70 9.780 -13.263 -17.417 1.00 0.00 C ATOM 774 C GLU B 70 8.572 -12.747 -18.194 1.00 0.00 C ATOM 775 O GLU B 70 8.483 -12.882 -19.414 1.00 0.00 O ATOM 776 CB GLU B 70 9.340 -14.344 -16.428 1.00 0.00 C ATOM 777 CG GLU B 70 8.067 -15.064 -16.840 1.00 0.00 C ATOM 778 CD GLU B 70 7.829 -16.331 -16.042 1.00 0.00 C ATOM 779 OE1 GLU B 70 8.736 -16.736 -15.285 1.00 0.00 O ATOM 780 OE2 GLU B 70 6.734 -16.919 -16.175 1.00 0.00 O ATOM 0 H GLU B 70 10.014 -11.261 -16.837 1.00 0.00 H new ATOM 0 HA GLU B 70 10.488 -13.694 -18.125 1.00 0.00 H new ATOM 0 HB2 GLU B 70 10.142 -15.074 -16.321 1.00 0.00 H new ATOM 0 HB3 GLU B 70 9.190 -13.889 -15.449 1.00 0.00 H new ATOM 0 HG2 GLU B 70 7.217 -14.394 -16.712 1.00 0.00 H new ATOM 0 HG3 GLU B 70 8.121 -15.312 -17.900 1.00 0.00 H new ATOM 787 N PRO B 71 7.619 -12.140 -17.471 1.00 0.00 N ATOM 788 CA PRO B 71 6.400 -11.591 -18.070 1.00 0.00 C ATOM 789 C PRO B 71 6.677 -10.356 -18.921 1.00 0.00 C ATOM 790 O PRO B 71 6.348 -9.237 -18.531 1.00 0.00 O ATOM 791 CB PRO B 71 5.543 -11.222 -16.856 1.00 0.00 C ATOM 792 CG PRO B 71 6.522 -10.994 -15.757 1.00 0.00 C ATOM 793 CD PRO B 71 7.660 -11.943 -16.012 1.00 0.00 C ATOM 0 HA PRO B 71 5.923 -12.301 -18.746 1.00 0.00 H new ATOM 0 HB2 PRO B 71 4.948 -10.329 -17.048 1.00 0.00 H new ATOM 0 HB3 PRO B 71 4.846 -12.022 -16.606 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.869 -9.961 -15.752 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.067 -11.182 -14.784 1.00 0.00 H new ATOM 0 HD2 PRO B 71 8.613 -11.524 -15.690 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.528 -12.883 -15.476 1.00 0.00 H new ATOM 801 N GLU B 72 7.283 -10.569 -20.085 1.00 0.00 N ATOM 802 CA GLU B 72 7.605 -9.472 -20.990 1.00 0.00 C ATOM 803 C GLU B 72 6.354 -8.981 -21.714 1.00 0.00 C ATOM 804 O GLU B 72 6.024 -7.795 -21.668 1.00 0.00 O ATOM 805 CB GLU B 72 8.657 -9.914 -22.009 1.00 0.00 C ATOM 806 CG GLU B 72 9.813 -10.685 -21.395 1.00 0.00 C ATOM 807 CD GLU B 72 11.041 -10.701 -22.284 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.954 -11.240 -23.407 1.00 0.00 O ATOM 809 OE2 GLU B 72 12.090 -10.174 -21.856 1.00 0.00 O ATOM 0 H GLU B 72 7.561 -11.490 -20.423 1.00 0.00 H new ATOM 0 HA GLU B 72 8.007 -8.651 -20.397 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.179 -10.535 -22.766 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.049 -9.034 -22.519 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.071 -10.241 -20.433 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.498 -11.710 -21.199 1.00 0.00 H new ATOM 816 N ILE B 73 5.665 -9.899 -22.381 1.00 0.00 N ATOM 817 CA ILE B 73 4.452 -9.560 -23.115 1.00 0.00 C ATOM 818 C ILE B 73 3.487 -8.763 -22.242 1.00 0.00 C ATOM 819 O ILE B 73 3.022 -7.691 -22.630 1.00 0.00 O ATOM 820 CB ILE B 73 3.736 -10.821 -23.633 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.663 -11.620 -24.551 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.457 -10.441 -24.364 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.255 -13.067 -24.711 1.00 0.00 C ATOM 0 H ILE B 73 5.926 -10.884 -22.429 1.00 0.00 H new ATOM 0 HA ILE B 73 4.757 -8.951 -23.966 1.00 0.00 H new ATOM 0 HB ILE B 73 3.472 -11.447 -22.781 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.685 -11.147 -25.533 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.677 -11.579 -24.154 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.962 -11.343 -24.724 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.792 -9.910 -23.682 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.699 -9.797 -25.210 1.00 0.00 H new ATOM 0 HD11 ILE B 73 4.957 -13.572 -25.375 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.261 -13.556 -23.737 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.253 -13.118 -25.137 1.00 0.00 H new ATOM 835 N THR B 74 3.190 -9.295 -21.060 1.00 0.00 N ATOM 836 CA THR B 74 2.282 -8.634 -20.132 1.00 0.00 C ATOM 837 C THR B 74 2.640 -7.161 -19.967 1.00 0.00 C ATOM 838 O THR B 74 1.781 -6.286 -20.084 1.00 0.00 O ATOM 839 CB THR B 74 2.300 -9.313 -18.749 1.00 0.00 C ATOM 840 OG1 THR B 74 1.954 -10.696 -18.878 1.00 0.00 O ATOM 841 CG2 THR B 74 1.330 -8.629 -17.798 1.00 0.00 C ATOM 0 H THR B 74 3.565 -10.182 -20.723 1.00 0.00 H new ATOM 0 HA THR B 74 1.281 -8.716 -20.556 1.00 0.00 H new ATOM 0 HB THR B 74 3.307 -9.227 -18.340 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.969 -11.121 -17.995 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.360 -9.126 -16.828 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.613 -7.583 -17.679 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.320 -8.687 -18.204 1.00 0.00 H new ATOM 849 N LEU B 75 3.912 -6.893 -19.695 1.00 0.00 N ATOM 850 CA LEU B 75 4.384 -5.525 -19.515 1.00 0.00 C ATOM 851 C LEU B 75 4.055 -4.670 -20.735 1.00 0.00 C ATOM 852 O LEU B 75 3.499 -3.579 -20.608 1.00 0.00 O ATOM 853 CB LEU B 75 5.893 -5.514 -19.262 1.00 0.00 C ATOM 854 CG LEU B 75 6.349 -6.048 -17.904 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.865 -5.996 -17.793 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.702 -5.259 -16.775 1.00 0.00 C ATOM 0 H LEU B 75 4.635 -7.605 -19.594 1.00 0.00 H new ATOM 0 HA LEU B 75 3.874 -5.102 -18.650 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.376 -6.102 -20.042 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.251 -4.490 -19.366 1.00 0.00 H new ATOM 0 HG LEU B 75 6.034 -7.088 -17.819 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.172 -6.380 -16.820 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.309 -6.606 -18.580 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.202 -4.965 -17.899 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.038 -5.653 -15.816 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.986 -4.210 -16.855 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.618 -5.348 -16.844 1.00 0.00 H new ATOM 868 N ILE B 76 4.401 -5.174 -21.914 1.00 0.00 N ATOM 869 CA ILE B 76 4.139 -4.458 -23.157 1.00 0.00 C ATOM 870 C ILE B 76 2.658 -4.126 -23.298 1.00 0.00 C ATOM 871 O ILE B 76 2.295 -3.005 -23.658 1.00 0.00 O ATOM 872 CB ILE B 76 4.590 -5.274 -24.383 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.064 -5.662 -24.250 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.358 -4.483 -25.661 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.989 -4.476 -24.086 1.00 0.00 C ATOM 0 H ILE B 76 4.863 -6.075 -22.035 1.00 0.00 H new ATOM 0 HA ILE B 76 4.714 -3.533 -23.115 1.00 0.00 H new ATOM 0 HB ILE B 76 3.996 -6.187 -24.432 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.181 -6.325 -23.393 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.364 -6.227 -25.133 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.682 -5.073 -26.518 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.297 -4.253 -25.759 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.929 -3.555 -25.623 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.017 -4.826 -23.998 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.901 -3.823 -24.955 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.716 -3.923 -23.187 1.00 0.00 H new ATOM 887 N ILE B 77 1.807 -5.105 -23.011 1.00 0.00 N ATOM 888 CA ILE B 77 0.365 -4.915 -23.104 1.00 0.00 C ATOM 889 C ILE B 77 -0.116 -3.863 -22.110 1.00 0.00 C ATOM 890 O ILE B 77 -0.839 -2.936 -22.473 1.00 0.00 O ATOM 891 CB ILE B 77 -0.393 -6.231 -22.848 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.004 -7.281 -23.891 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.895 -5.989 -22.867 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.792 -8.567 -23.778 1.00 0.00 C ATOM 0 H ILE B 77 2.091 -6.038 -22.712 1.00 0.00 H new ATOM 0 HA ILE B 77 0.156 -4.576 -24.118 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.117 -6.606 -21.862 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.148 -6.863 -24.887 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.058 -7.505 -23.790 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.417 -6.928 -22.685 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.158 -5.271 -22.090 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.188 -5.594 -23.840 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.463 -9.264 -24.548 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.628 -9.009 -22.795 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.853 -8.356 -23.909 1.00 0.00 H new ATOM 906 N PHE B 78 0.293 -4.013 -20.854 1.00 0.00 N ATOM 907 CA PHE B 78 -0.095 -3.075 -19.807 1.00 0.00 C ATOM 908 C PHE B 78 0.263 -1.644 -20.199 1.00 0.00 C ATOM 909 O PHE B 78 -0.550 -0.731 -20.065 1.00 0.00 O ATOM 910 CB PHE B 78 0.587 -3.441 -18.487 1.00 0.00 C ATOM 911 CG PHE B 78 0.483 -2.368 -17.442 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.594 -2.333 -16.570 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.462 -1.394 -17.329 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.692 -1.346 -15.608 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.370 -0.405 -16.368 1.00 0.00 C ATOM 916 CZ PHE B 78 0.291 -0.382 -15.506 1.00 0.00 C ATOM 0 H PHE B 78 0.893 -4.775 -20.537 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.176 -3.138 -19.679 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.143 -4.358 -18.100 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.639 -3.651 -18.677 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.365 -3.086 -16.643 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.308 -1.408 -18.000 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.537 -1.329 -14.936 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.140 0.348 -16.291 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.216 0.389 -14.753 1.00 0.00 H new ATOM 926 N GLY B 79 1.488 -1.458 -20.682 1.00 0.00 N ATOM 927 CA GLY B 79 1.933 -0.137 -21.085 1.00 0.00 C ATOM 928 C GLY B 79 1.035 0.482 -22.138 1.00 0.00 C ATOM 929 O GLY B 79 0.542 1.596 -21.966 1.00 0.00 O ATOM 0 H GLY B 79 2.180 -2.198 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.965 0.514 -20.211 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.950 -0.202 -21.472 1.00 0.00 H new ATOM 933 N VAL B 80 0.824 -0.242 -23.232 1.00 0.00 N ATOM 934 CA VAL B 80 -0.020 0.243 -24.318 1.00 0.00 C ATOM 935 C VAL B 80 -1.456 0.449 -23.848 1.00 0.00 C ATOM 936 O VAL B 80 -2.143 1.364 -24.301 1.00 0.00 O ATOM 937 CB VAL B 80 -0.017 -0.733 -25.510 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.832 -0.169 -26.664 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.408 -1.033 -25.949 1.00 0.00 C ATOM 0 H VAL B 80 1.226 -1.166 -23.390 1.00 0.00 H new ATOM 0 HA VAL B 80 0.395 1.198 -24.639 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.479 -1.668 -25.193 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.818 -0.872 -27.497 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.860 -0.010 -26.340 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.402 0.780 -26.983 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.391 -1.724 -26.792 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.899 -0.107 -26.249 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.956 -1.483 -25.122 1.00 0.00 H new ATOM 949 N MET B 81 -1.902 -0.407 -22.935 1.00 0.00 N ATOM 950 CA MET B 81 -3.257 -0.317 -22.401 1.00 0.00 C ATOM 951 C MET B 81 -3.439 0.965 -21.595 1.00 0.00 C ATOM 952 O MET B 81 -4.429 1.678 -21.762 1.00 0.00 O ATOM 953 CB MET B 81 -3.564 -1.533 -21.524 1.00 0.00 C ATOM 954 CG MET B 81 -3.878 -2.791 -22.317 1.00 0.00 C ATOM 955 SD MET B 81 -5.622 -2.917 -22.757 1.00 0.00 S ATOM 956 CE MET B 81 -5.725 -4.637 -23.244 1.00 0.00 C ATOM 0 H MET B 81 -1.346 -1.170 -22.549 1.00 0.00 H new ATOM 0 HA MET B 81 -3.952 -0.299 -23.241 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.711 -1.727 -20.874 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.410 -1.300 -20.878 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.276 -2.803 -23.226 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.590 -3.665 -21.733 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.747 -4.870 -23.544 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.050 -4.819 -24.080 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.441 -5.271 -22.404 1.00 0.00 H new ATOM 966 N ALA B 82 -2.479 1.252 -20.722 1.00 0.00 N ATOM 967 CA ALA B 82 -2.534 2.449 -19.893 1.00 0.00 C ATOM 968 C ALA B 82 -2.421 3.711 -20.742 1.00 0.00 C ATOM 969 O ALA B 82 -3.181 4.662 -20.562 1.00 0.00 O ATOM 970 CB ALA B 82 -1.432 2.416 -18.844 1.00 0.00 C ATOM 0 H ALA B 82 -1.654 0.672 -20.571 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.500 2.467 -19.389 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.485 3.316 -18.232 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.559 1.538 -18.210 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.461 2.370 -19.337 1.00 0.00 H new ATOM 976 N GLY B 83 -1.467 3.713 -21.667 1.00 0.00 N ATOM 977 CA GLY B 83 -1.271 4.864 -22.529 1.00 0.00 C ATOM 978 C GLY B 83 -2.488 5.162 -23.383 1.00 0.00 C ATOM 979 O GLY B 83 -2.973 6.293 -23.412 1.00 0.00 O ATOM 0 H GLY B 83 -0.826 2.938 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.037 5.736 -21.918 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.411 4.688 -23.176 1.00 0.00 H new ATOM 983 N VAL B 84 -2.983 4.145 -24.081 1.00 0.00 N ATOM 984 CA VAL B 84 -4.151 4.304 -24.940 1.00 0.00 C ATOM 985 C VAL B 84 -5.323 4.901 -24.169 1.00 0.00 C ATOM 986 O VAL B 84 -5.860 5.943 -24.547 1.00 0.00 O ATOM 987 CB VAL B 84 -4.585 2.958 -25.551 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.952 3.085 -26.205 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.549 2.469 -26.552 1.00 0.00 C ATOM 0 H VAL B 84 -2.594 3.202 -24.069 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.864 4.984 -25.742 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.659 2.222 -24.750 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.242 2.125 -26.631 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.686 3.387 -25.458 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.909 3.834 -26.995 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.872 1.517 -26.974 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.441 3.202 -27.351 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.591 2.337 -26.049 1.00 0.00 H new ATOM 999 N ILE B 85 -5.713 4.235 -23.088 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.821 4.702 -22.263 1.00 0.00 C ATOM 1001 C ILE B 85 -6.586 6.130 -21.784 1.00 0.00 C ATOM 1002 O ILE B 85 -7.499 6.955 -21.786 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.034 3.791 -21.040 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.301 2.353 -21.488 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.184 4.308 -20.188 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.107 1.332 -20.388 1.00 0.00 C ATOM 0 H ILE B 85 -5.279 3.371 -22.763 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.714 4.673 -22.888 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.127 3.801 -20.436 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.322 2.281 -21.863 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.638 2.111 -22.319 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.322 3.653 -19.327 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.957 5.317 -19.844 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.098 4.324 -20.782 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.313 0.335 -20.777 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.079 1.376 -20.028 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.789 1.549 -19.566 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.353 6.417 -21.377 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.019 7.747 -20.902 1.00 0.00 C ATOM 1020 C GLY B 86 -5.295 8.819 -21.939 1.00 0.00 C ATOM 1021 O GLY B 86 -5.973 9.807 -21.656 1.00 0.00 O ATOM 0 H GLY B 86 -4.580 5.752 -21.368 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.592 7.962 -20.000 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.965 7.777 -20.625 1.00 0.00 H new ATOM 1025 N THR B 87 -4.767 8.625 -23.143 1.00 0.00 N ATOM 1026 CA THR B 87 -4.957 9.583 -24.224 1.00 0.00 C ATOM 1027 C THR B 87 -6.439 9.814 -24.500 1.00 0.00 C ATOM 1028 O THR B 87 -6.877 10.952 -24.674 1.00 0.00 O ATOM 1029 CB THR B 87 -4.273 9.110 -25.521 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.030 8.469 -25.214 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.027 10.281 -26.461 1.00 0.00 C ATOM 0 H THR B 87 -4.204 7.812 -23.394 1.00 0.00 H new ATOM 0 HA THR B 87 -4.500 10.518 -23.901 1.00 0.00 H new ATOM 0 HB THR B 87 -4.935 8.400 -26.016 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.598 8.933 -24.466 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.543 9.923 -27.370 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.978 10.749 -26.716 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.383 11.012 -25.971 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.205 8.730 -24.537 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.638 8.816 -24.790 1.00 0.00 C ATOM 1041 C ILE B 88 -9.314 9.760 -23.801 1.00 0.00 C ATOM 1042 O ILE B 88 -10.050 10.666 -24.196 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.309 7.432 -24.702 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.690 6.475 -25.723 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.809 7.556 -24.926 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.846 5.016 -25.355 1.00 0.00 C ATOM 0 H ILE B 88 -6.858 7.781 -24.395 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.758 9.205 -25.801 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.142 7.026 -23.704 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.150 6.647 -26.696 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.629 6.704 -25.827 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.269 6.570 -24.861 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.238 8.208 -24.165 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.996 7.979 -25.913 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.384 4.396 -26.123 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.361 4.829 -24.397 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.905 4.771 -25.279 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.060 9.543 -22.516 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.642 10.376 -21.469 1.00 0.00 C ATOM 1060 C LEU B 89 -9.293 11.845 -21.685 1.00 0.00 C ATOM 1061 O LEU B 89 -10.175 12.705 -21.726 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.151 9.920 -20.094 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.781 8.639 -19.548 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.947 8.079 -18.406 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.209 8.899 -19.090 1.00 0.00 C ATOM 0 H LEU B 89 -8.455 8.797 -22.173 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.726 10.269 -21.514 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.072 9.777 -20.145 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.333 10.724 -19.380 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.807 7.900 -20.349 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.411 7.167 -18.030 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.943 7.854 -18.765 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.889 8.814 -17.603 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.641 7.976 -18.704 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.207 9.655 -18.304 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.803 9.253 -19.933 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.002 12.127 -21.825 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.536 13.492 -22.040 1.00 0.00 C ATOM 1079 C LEU B 90 -8.180 14.099 -23.282 1.00 0.00 C ATOM 1080 O LEU B 90 -8.718 15.205 -23.237 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.013 13.516 -22.177 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.224 12.924 -21.009 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.772 12.700 -21.404 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.314 13.831 -19.790 1.00 0.00 C ATOM 0 H LEU B 90 -7.260 11.428 -21.793 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.826 14.089 -21.175 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.741 12.975 -23.084 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.697 14.550 -22.316 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.662 11.959 -20.752 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.226 12.278 -20.560 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.726 12.010 -22.247 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.322 13.651 -21.689 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.747 13.394 -18.968 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.903 14.810 -20.034 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.357 13.939 -19.493 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.122 13.366 -24.389 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.703 13.831 -25.643 1.00 0.00 C ATOM 1098 C ILE B 91 -10.172 14.197 -25.466 1.00 0.00 C ATOM 1099 O ILE B 91 -10.613 15.262 -25.897 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.580 12.766 -26.749 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.110 12.528 -27.098 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.361 13.192 -27.983 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.843 11.163 -27.692 1.00 0.00 C ATOM 0 H ILE B 91 -7.679 12.449 -24.443 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.144 14.718 -25.940 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.002 11.831 -26.381 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.784 13.292 -27.804 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.507 12.648 -26.198 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.265 12.429 -28.756 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.413 13.315 -27.724 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.966 14.137 -28.355 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.781 11.065 -27.915 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.137 10.392 -26.980 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.418 11.047 -28.610 1.00 0.00 H new ATOM 1115 N SER B 92 -10.926 13.307 -24.828 1.00 0.00 N ATOM 1116 CA SER B 92 -12.347 13.535 -24.595 1.00 0.00 C ATOM 1117 C SER B 92 -12.573 14.858 -23.869 1.00 0.00 C ATOM 1118 O SER B 92 -13.612 15.498 -24.031 1.00 0.00 O ATOM 1119 CB SER B 92 -12.943 12.385 -23.782 1.00 0.00 C ATOM 1120 OG SER B 92 -12.805 12.619 -22.391 1.00 0.00 O ATOM 0 H SER B 92 -10.576 12.421 -24.463 1.00 0.00 H new ATOM 0 HA SER B 92 -12.846 13.582 -25.563 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.998 12.267 -24.031 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.447 11.452 -24.048 1.00 0.00 H new ATOM 0 HG SER B 92 -11.855 12.711 -22.167 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.593 15.261 -23.069 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.684 16.505 -22.315 1.00 0.00 C ATOM 1128 C TYR B 93 -11.539 17.712 -23.237 1.00 0.00 C ATOM 1129 O TYR B 93 -12.205 18.730 -23.055 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.609 16.548 -21.228 1.00 0.00 C ATOM 1131 CG TYR B 93 -10.859 17.599 -20.170 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -10.490 18.922 -20.377 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.464 17.269 -18.963 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -10.715 19.886 -19.413 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.695 18.226 -17.995 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.319 19.533 -18.224 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.545 20.489 -17.261 1.00 0.00 O ATOM 0 H TYR B 93 -10.726 14.744 -22.926 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.667 16.544 -21.846 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.549 15.570 -20.750 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.641 16.736 -21.693 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -10.019 19.202 -21.308 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.758 16.246 -18.779 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -10.420 20.910 -19.589 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -12.168 17.953 -17.063 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.979 20.076 -16.485 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.661 17.589 -24.228 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.443 18.676 -25.165 1.00 0.00 C ATOM 1149 C GLY B 94 -11.678 18.989 -25.987 1.00 0.00 C ATOM 1150 O GLY B 94 -11.950 20.151 -26.292 1.00 0.00 O ATOM 0 H GLY B 94 -10.097 16.756 -24.399 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.139 19.568 -24.617 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.622 18.417 -25.833 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.425 17.952 -26.349 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.636 18.122 -27.141 1.00 0.00 C ATOM 1156 C ILE B 95 -14.699 18.890 -26.362 1.00 0.00 C ATOM 1157 O ILE B 95 -15.493 19.632 -26.942 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.218 16.765 -27.580 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.195 15.994 -28.415 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.505 16.970 -28.364 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.529 14.527 -28.577 1.00 0.00 C ATOM 0 H ILE B 95 -12.212 16.984 -26.106 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.355 18.691 -28.027 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.448 16.179 -26.690 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.123 16.453 -29.401 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.214 16.086 -27.948 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.904 16.002 -28.667 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.235 17.483 -27.738 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.300 17.571 -29.250 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.761 14.043 -29.180 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.572 14.053 -27.596 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.495 14.426 -29.071 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.706 18.710 -25.046 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.670 19.386 -24.187 1.00 0.00 C ATOM 1175 C ARG B 96 -15.306 20.858 -24.014 1.00 0.00 C ATOM 1176 O ARG B 96 -16.178 21.727 -24.006 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.737 18.702 -22.820 1.00 0.00 C ATOM 1178 CG ARG B 96 -16.922 17.763 -22.666 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.024 17.223 -21.248 1.00 0.00 C ATOM 1180 NE ARG B 96 -16.014 16.203 -20.977 1.00 0.00 N ATOM 1181 CZ ARG B 96 -15.670 15.816 -19.754 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -16.251 16.361 -18.695 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -14.742 14.882 -19.589 1.00 0.00 N ATOM 0 H ARG B 96 -14.054 18.101 -24.551 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.648 19.325 -24.664 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -14.816 18.141 -22.658 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.786 19.465 -22.043 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.841 18.290 -22.923 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.824 16.933 -23.366 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.911 18.043 -20.539 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.017 16.801 -21.091 1.00 0.00 H new ATOM 0 HE ARG B 96 -15.547 15.764 -21.771 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.964 17.080 -18.818 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -15.985 16.062 -17.757 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -14.292 14.461 -20.402 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -14.478 14.585 -18.649 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.012 21.129 -23.875 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.533 22.495 -23.700 1.00 0.00 C ATOM 1199 C ARG B 97 -14.190 23.151 -22.489 1.00 0.00 C ATOM 1200 O ARG B 97 -14.321 24.374 -22.427 1.00 0.00 O ATOM 1201 CB ARG B 97 -13.814 23.321 -24.956 1.00 0.00 C ATOM 1202 CG ARG B 97 -12.829 24.459 -25.170 1.00 0.00 C ATOM 1203 CD ARG B 97 -11.606 23.999 -25.948 1.00 0.00 C ATOM 1204 NE ARG B 97 -11.929 23.684 -27.338 1.00 0.00 N ATOM 1205 CZ ARG B 97 -11.089 23.074 -28.167 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -9.883 22.715 -27.749 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -11.456 22.822 -29.417 1.00 0.00 N ATOM 0 H ARG B 97 -13.277 20.421 -23.880 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.457 22.457 -23.531 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -13.791 22.664 -25.825 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -14.822 23.731 -24.893 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.320 25.270 -25.708 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.518 24.859 -24.205 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -10.844 24.778 -25.920 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -11.180 23.119 -25.466 1.00 0.00 H new ATOM 0 HE ARG B 97 -12.849 23.947 -27.691 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -9.598 22.907 -26.789 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -9.240 22.247 -28.388 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -12.383 23.097 -29.742 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -10.811 22.354 -30.053 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.601 22.330 -21.529 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.245 22.830 -20.319 1.00 0.00 C ATOM 1223 C LEU B 98 -14.207 23.302 -19.305 1.00 0.00 C ATOM 1224 O LEU B 98 -13.158 23.828 -19.674 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.124 21.743 -19.699 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.624 22.035 -19.657 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.887 23.385 -19.010 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -18.215 21.989 -21.059 1.00 0.00 C ATOM 0 H LEU B 98 -14.500 21.316 -21.565 1.00 0.00 H new ATOM 0 HA LEU B 98 -15.870 23.680 -20.594 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -15.970 20.818 -20.255 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -15.781 21.563 -18.680 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.108 21.266 -19.054 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -18.960 23.576 -18.989 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.499 23.382 -17.991 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -17.391 24.167 -19.585 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -19.283 22.199 -21.011 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -17.726 22.736 -21.685 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -18.059 20.999 -21.487 1.00 0.00 H new TER 1240 LEU B 98