USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 839 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 Set 1.1: A 84 SER OG : rot 105:sc= 0.349! USER MOD Set 1.2: A 109 TYR OH : rot 0:sc= 0.91 USER MOD Set 2.1: A 44 HIS : no HD1:sc= -37.9! C(o=-38!,f=-37!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 50 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-8.5!) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.215) USER MOD Single : A 58 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 65 ASN : amide:sc= -0.752 K(o=-0.75,f=-1.9) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 89 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.9) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.085) USER MOD Single : A 112 GLN : amide:sc= -4.03 K(o=-4,f=-5.7!) USER MOD Single : A 114 LYS NZ :NH3+ -113:sc= 0.38 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 166:sc= 0.835 (180deg=0.689) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot -105:sc= 1.67 USER MOD Single : A 139 HIS : no HE2:sc= -4.79! C(o=-4.8!,f=-9.1!) USER MOD Single : A 140 CYS SG : rot 160:sc= -4.69! USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 3.835 10.821 4.526 1.00 0.00 N ATOM 2 CA PHE A 40 3.106 9.546 4.515 1.00 0.00 C ATOM 3 C PHE A 40 1.755 9.583 3.755 1.00 0.00 C ATOM 4 O PHE A 40 0.680 9.395 4.289 1.00 0.00 O ATOM 5 CB PHE A 40 2.938 9.182 5.933 1.00 0.00 C ATOM 6 CG PHE A 40 3.074 7.685 6.110 1.00 0.00 C ATOM 7 CD1 PHE A 40 4.345 7.160 6.288 1.00 0.00 C ATOM 8 CD2 PHE A 40 1.964 6.883 6.085 1.00 0.00 C ATOM 9 CE1 PHE A 40 4.534 5.770 6.455 1.00 0.00 C ATOM 10 CE2 PHE A 40 2.109 5.536 6.243 1.00 0.00 C ATOM 11 CZ PHE A 40 3.383 4.976 6.431 1.00 0.00 C ATOM 0 HA PHE A 40 3.673 8.799 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.684 9.696 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.960 9.510 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.199 7.821 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.984 7.313 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.516 5.343 6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.239 4.896 6.223 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.476 3.908 6.560 1.00 0.00 H new ATOM 21 N ARG A 41 1.897 9.830 2.480 1.00 0.00 N ATOM 22 CA ARG A 41 0.773 9.914 1.509 1.00 0.00 C ATOM 23 C ARG A 41 0.575 8.650 0.703 1.00 0.00 C ATOM 24 O ARG A 41 0.204 7.634 1.235 1.00 0.00 O ATOM 25 CB ARG A 41 1.107 11.158 0.677 1.00 0.00 C ATOM 26 CG ARG A 41 1.305 12.404 1.592 1.00 0.00 C ATOM 27 CD ARG A 41 -0.022 13.009 2.122 1.00 0.00 C ATOM 28 NE ARG A 41 -0.891 11.965 2.746 1.00 0.00 N ATOM 29 CZ ARG A 41 -2.062 11.649 2.242 1.00 0.00 C ATOM 30 NH1 ARG A 41 -2.514 12.230 1.164 1.00 0.00 N ATOM 31 NH2 ARG A 41 -2.769 10.731 2.844 1.00 0.00 N ATOM 0 H ARG A 41 2.809 9.986 2.050 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.198 10.007 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.013 10.980 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.305 11.349 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.930 12.125 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.846 13.170 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.198 13.786 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.558 13.487 1.302 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.566 11.485 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.955 12.944 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.426 11.970 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.408 10.279 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.682 10.466 2.474 1.00 0.00 H new ATOM 45 N ARG A 42 0.778 8.771 -0.548 1.00 0.00 N ATOM 46 CA ARG A 42 0.634 7.593 -1.489 1.00 0.00 C ATOM 47 C ARG A 42 1.915 7.256 -2.255 1.00 0.00 C ATOM 48 O ARG A 42 2.359 7.952 -3.147 1.00 0.00 O ATOM 49 CB ARG A 42 -0.426 7.852 -2.480 1.00 0.00 C ATOM 50 CG ARG A 42 -0.216 9.218 -3.108 1.00 0.00 C ATOM 51 CD ARG A 42 -1.074 10.297 -2.438 1.00 0.00 C ATOM 52 NE ARG A 42 -0.617 11.643 -2.894 1.00 0.00 N ATOM 53 CZ ARG A 42 -1.458 12.489 -3.432 1.00 0.00 C ATOM 54 NH1 ARG A 42 -2.679 12.565 -2.983 1.00 0.00 N ATOM 55 NH2 ARG A 42 -1.051 13.247 -4.412 1.00 0.00 N ATOM 0 H ARG A 42 1.046 9.645 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 42 0.387 6.745 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.413 7.081 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.404 7.808 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.836 9.493 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.458 9.170 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.124 10.152 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.994 10.221 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 42 0.362 11.906 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.978 11.966 -2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.336 13.224 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.090 13.175 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.693 13.912 -4.843 1.00 0.00 H new ATOM 69 N ASP A 43 2.451 6.142 -1.838 1.00 0.00 N ATOM 70 CA ASP A 43 3.727 5.559 -2.378 1.00 0.00 C ATOM 71 C ASP A 43 4.457 6.792 -1.908 1.00 0.00 C ATOM 72 O ASP A 43 5.328 7.367 -2.536 1.00 0.00 O ATOM 73 CB ASP A 43 3.654 5.432 -3.910 1.00 0.00 C ATOM 74 CG ASP A 43 4.863 4.592 -4.334 1.00 0.00 C ATOM 75 OD1 ASP A 43 5.965 5.071 -4.123 1.00 0.00 O ATOM 76 OD2 ASP A 43 4.607 3.515 -4.846 1.00 0.00 O ATOM 0 H ASP A 43 2.033 5.575 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 43 4.089 4.571 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.723 4.954 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.679 6.414 -4.382 1.00 0.00 H new ATOM 81 N HIS A 44 3.981 7.121 -0.729 1.00 0.00 N ATOM 82 CA HIS A 44 4.441 8.297 -0.020 1.00 0.00 C ATOM 83 C HIS A 44 5.760 8.994 -0.277 1.00 0.00 C ATOM 84 O HIS A 44 5.933 9.843 -1.127 1.00 0.00 O ATOM 85 CB HIS A 44 4.438 8.198 1.528 1.00 0.00 C ATOM 86 CG HIS A 44 3.994 7.172 2.387 1.00 0.00 C ATOM 87 ND1 HIS A 44 4.953 6.558 2.951 1.00 0.00 N ATOM 88 CD2 HIS A 44 2.812 6.666 2.848 1.00 0.00 C ATOM 89 CE1 HIS A 44 4.459 5.705 3.734 1.00 0.00 C ATOM 90 NE2 HIS A 44 3.143 5.723 3.716 1.00 0.00 N ATOM 0 H HIS A 44 3.267 6.585 -0.235 1.00 0.00 H new ATOM 0 HA HIS A 44 3.659 8.886 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.479 8.353 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.885 9.079 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.816 6.971 2.564 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.046 5.037 4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.511 5.134 4.258 1.00 0.00 H new ATOM 98 N THR A 45 6.633 8.529 0.537 1.00 0.00 N ATOM 99 CA THR A 45 8.056 8.966 0.614 1.00 0.00 C ATOM 100 C THR A 45 9.158 7.921 0.483 1.00 0.00 C ATOM 101 O THR A 45 8.931 6.756 0.229 1.00 0.00 O ATOM 102 CB THR A 45 8.239 9.681 1.923 1.00 0.00 C ATOM 103 OG1 THR A 45 7.587 8.873 2.889 1.00 0.00 O ATOM 104 CG2 THR A 45 7.535 10.995 1.864 1.00 0.00 C ATOM 0 H THR A 45 6.408 7.800 1.215 1.00 0.00 H new ATOM 0 HA THR A 45 8.190 9.578 -0.278 1.00 0.00 H new ATOM 0 HB THR A 45 9.292 9.846 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.672 9.287 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.664 11.519 2.811 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.953 11.596 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.473 10.831 1.681 1.00 0.00 H new ATOM 112 N SER A 46 10.328 8.467 0.688 1.00 0.00 N ATOM 113 CA SER A 46 11.614 7.709 0.628 1.00 0.00 C ATOM 114 C SER A 46 11.721 7.043 -0.717 1.00 0.00 C ATOM 115 O SER A 46 12.331 6.007 -0.860 1.00 0.00 O ATOM 116 CB SER A 46 11.666 6.636 1.700 1.00 0.00 C ATOM 117 OG SER A 46 11.599 7.376 2.911 1.00 0.00 O ATOM 0 H SER A 46 10.449 9.456 0.905 1.00 0.00 H new ATOM 0 HA SER A 46 12.435 8.407 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.834 5.937 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.583 6.050 1.638 1.00 0.00 H new ATOM 0 HG SER A 46 11.625 6.760 3.673 1.00 0.00 H new ATOM 123 N ASP A 47 11.109 7.684 -1.662 1.00 0.00 N ATOM 124 CA ASP A 47 11.104 7.184 -3.054 1.00 0.00 C ATOM 125 C ASP A 47 12.528 6.919 -3.512 1.00 0.00 C ATOM 126 O ASP A 47 12.775 5.997 -4.254 1.00 0.00 O ATOM 127 CB ASP A 47 10.406 8.245 -3.884 1.00 0.00 C ATOM 128 CG ASP A 47 9.053 8.489 -3.191 1.00 0.00 C ATOM 129 OD1 ASP A 47 8.391 7.500 -2.912 1.00 0.00 O ATOM 130 OD2 ASP A 47 8.761 9.654 -2.981 1.00 0.00 O ATOM 0 H ASP A 47 10.599 8.556 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 47 10.576 6.236 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.996 9.161 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.265 7.909 -4.911 1.00 0.00 H new ATOM 135 N GLN A 48 13.426 7.747 -3.058 1.00 0.00 N ATOM 136 CA GLN A 48 14.824 7.675 -3.367 1.00 0.00 C ATOM 137 C GLN A 48 15.381 6.373 -2.812 1.00 0.00 C ATOM 138 O GLN A 48 16.219 5.724 -3.408 1.00 0.00 O ATOM 139 CB GLN A 48 15.366 8.934 -2.753 1.00 0.00 C ATOM 140 CG GLN A 48 16.737 8.678 -2.298 1.00 0.00 C ATOM 141 CD GLN A 48 17.403 9.996 -1.907 1.00 0.00 C ATOM 142 OE1 GLN A 48 17.533 10.898 -2.710 1.00 0.00 O ATOM 143 NE2 GLN A 48 17.836 10.151 -0.686 1.00 0.00 N ATOM 0 H GLN A 48 13.193 8.522 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 48 15.089 7.640 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.354 9.746 -3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.741 9.246 -1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.727 7.998 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.308 8.191 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.729 9.397 -0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.281 11.026 -0.410 1.00 0.00 H new ATOM 152 N LEU A 49 14.901 5.995 -1.664 1.00 0.00 N ATOM 153 CA LEU A 49 15.429 4.746 -1.118 1.00 0.00 C ATOM 154 C LEU A 49 14.762 3.654 -1.922 1.00 0.00 C ATOM 155 O LEU A 49 15.411 2.692 -2.227 1.00 0.00 O ATOM 156 CB LEU A 49 15.110 4.808 0.410 1.00 0.00 C ATOM 157 CG LEU A 49 14.680 3.533 1.176 1.00 0.00 C ATOM 158 CD1 LEU A 49 13.237 3.330 0.904 1.00 0.00 C ATOM 159 CD2 LEU A 49 15.203 2.229 0.636 1.00 0.00 C ATOM 0 H LEU A 49 14.196 6.480 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 49 16.501 4.563 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.997 5.199 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.319 5.546 0.544 1.00 0.00 H new ATOM 0 HG LEU A 49 15.022 3.710 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.890 2.438 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.676 4.197 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.083 3.206 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.837 1.407 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.858 2.095 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.293 2.239 0.654 1.00 0.00 H new ATOM 171 N HIS A 50 13.520 3.751 -2.285 1.00 0.00 N ATOM 172 CA HIS A 50 12.945 2.637 -3.063 1.00 0.00 C ATOM 173 C HIS A 50 13.777 2.450 -4.305 1.00 0.00 C ATOM 174 O HIS A 50 14.121 1.337 -4.648 1.00 0.00 O ATOM 175 CB HIS A 50 11.534 2.929 -3.577 1.00 0.00 C ATOM 176 CG HIS A 50 10.540 3.567 -2.637 1.00 0.00 C ATOM 177 ND1 HIS A 50 9.336 3.927 -2.946 1.00 0.00 N ATOM 178 CD2 HIS A 50 10.672 3.894 -1.334 1.00 0.00 C ATOM 179 CE1 HIS A 50 8.765 4.441 -1.904 1.00 0.00 C ATOM 180 NE2 HIS A 50 9.567 4.439 -0.871 1.00 0.00 N ATOM 0 H HIS A 50 12.895 4.531 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 50 12.924 1.774 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.627 3.576 -4.449 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.106 1.988 -3.922 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.565 3.730 -0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.755 4.823 -1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.380 4.780 0.072 1.00 0.00 H new ATOM 188 N ALA A 51 14.044 3.578 -4.912 1.00 0.00 N ATOM 189 CA ALA A 51 14.832 3.664 -6.142 1.00 0.00 C ATOM 190 C ALA A 51 15.987 2.739 -5.857 1.00 0.00 C ATOM 191 O ALA A 51 16.410 1.954 -6.683 1.00 0.00 O ATOM 192 CB ALA A 51 15.279 5.101 -6.331 1.00 0.00 C ATOM 0 H ALA A 51 13.721 4.483 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 51 14.305 3.387 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.868 5.182 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.404 5.747 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.886 5.408 -5.479 1.00 0.00 H new ATOM 198 N GLU A 52 16.451 2.900 -4.643 1.00 0.00 N ATOM 199 CA GLU A 52 17.558 2.079 -4.203 1.00 0.00 C ATOM 200 C GLU A 52 17.070 0.732 -3.639 1.00 0.00 C ATOM 201 O GLU A 52 17.003 -0.205 -4.417 1.00 0.00 O ATOM 202 CB GLU A 52 18.330 2.864 -3.140 1.00 0.00 C ATOM 203 CG GLU A 52 19.606 2.113 -2.719 1.00 0.00 C ATOM 204 CD GLU A 52 20.480 1.853 -3.944 1.00 0.00 C ATOM 205 OE1 GLU A 52 21.098 2.812 -4.375 1.00 0.00 O ATOM 206 OE2 GLU A 52 20.475 0.713 -4.377 1.00 0.00 O ATOM 0 H GLU A 52 16.096 3.568 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 52 18.204 1.849 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.594 3.847 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.695 3.026 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.158 2.699 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.343 1.169 -2.241 1.00 0.00 H new ATOM 213 N PHE A 53 16.719 0.673 -2.360 1.00 0.00 N ATOM 214 CA PHE A 53 16.242 -0.429 -1.543 1.00 0.00 C ATOM 215 C PHE A 53 17.204 -1.571 -1.326 1.00 0.00 C ATOM 216 O PHE A 53 17.250 -2.320 -0.376 1.00 0.00 O ATOM 217 CB PHE A 53 14.997 -0.875 -2.101 1.00 0.00 C ATOM 218 CG PHE A 53 14.075 -1.210 -0.983 1.00 0.00 C ATOM 219 CD1 PHE A 53 14.160 -0.827 0.331 1.00 0.00 C ATOM 220 CD2 PHE A 53 13.077 -1.985 -1.367 1.00 0.00 C ATOM 221 CE1 PHE A 53 13.247 -1.243 1.240 1.00 0.00 C ATOM 222 CE2 PHE A 53 12.171 -2.419 -0.506 1.00 0.00 C ATOM 223 CZ PHE A 53 12.240 -2.045 0.831 1.00 0.00 C ATOM 0 H PHE A 53 16.772 1.521 -1.796 1.00 0.00 H new ATOM 0 HA PHE A 53 16.118 -0.042 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.563 -0.098 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 53 15.156 -1.747 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.968 -0.183 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.999 -2.271 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.322 -0.939 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.375 -3.066 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.497 -2.392 1.534 1.00 0.00 H new ATOM 233 N ASP A 54 17.974 -1.599 -2.332 1.00 0.00 N ATOM 234 CA ASP A 54 19.050 -2.572 -2.532 1.00 0.00 C ATOM 235 C ASP A 54 20.311 -2.195 -1.775 1.00 0.00 C ATOM 236 O ASP A 54 20.490 -1.065 -1.370 1.00 0.00 O ATOM 237 CB ASP A 54 19.265 -2.591 -4.009 1.00 0.00 C ATOM 238 CG ASP A 54 20.391 -3.554 -4.383 1.00 0.00 C ATOM 239 OD1 ASP A 54 20.210 -4.730 -4.114 1.00 0.00 O ATOM 240 OD2 ASP A 54 21.362 -3.048 -4.918 1.00 0.00 O ATOM 0 H ASP A 54 17.898 -0.928 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 54 18.788 -3.556 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.344 -2.889 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.508 -1.587 -4.358 1.00 0.00 H new ATOM 245 N GLY A 55 21.138 -3.189 -1.607 1.00 0.00 N ATOM 246 CA GLY A 55 22.426 -3.016 -0.885 1.00 0.00 C ATOM 247 C GLY A 55 22.363 -3.983 0.289 1.00 0.00 C ATOM 248 O GLY A 55 23.175 -4.873 0.449 1.00 0.00 O ATOM 0 H GLY A 55 20.969 -4.135 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 55 23.273 -3.240 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 55 22.549 -1.989 -0.542 1.00 0.00 H new ATOM 252 N LYS A 56 21.355 -3.746 1.074 1.00 0.00 N ATOM 253 CA LYS A 56 21.092 -4.558 2.277 1.00 0.00 C ATOM 254 C LYS A 56 20.457 -5.896 2.059 1.00 0.00 C ATOM 255 O LYS A 56 20.108 -6.340 0.985 1.00 0.00 O ATOM 256 CB LYS A 56 20.195 -3.795 3.182 1.00 0.00 C ATOM 257 CG LYS A 56 20.839 -2.508 3.297 1.00 0.00 C ATOM 258 CD LYS A 56 20.249 -1.789 4.503 1.00 0.00 C ATOM 259 CE LYS A 56 21.095 -0.577 4.838 1.00 0.00 C ATOM 260 NZ LYS A 56 20.542 0.067 6.062 1.00 0.00 N ATOM 0 H LYS A 56 20.682 -2.995 0.921 1.00 0.00 H new ATOM 0 HA LYS A 56 22.082 -4.757 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.191 -3.705 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.097 -4.282 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.916 -2.631 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.683 -1.922 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.225 -1.482 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.209 -2.464 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.131 -0.873 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.092 0.127 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.227 0.758 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.652 0.552 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.360 -0.659 6.784 1.00 0.00 H new ATOM 274 N GLU A 57 20.363 -6.466 3.215 1.00 0.00 N ATOM 275 CA GLU A 57 19.768 -7.816 3.363 1.00 0.00 C ATOM 276 C GLU A 57 18.291 -7.639 3.691 1.00 0.00 C ATOM 277 O GLU A 57 17.922 -6.593 4.164 1.00 0.00 O ATOM 278 CB GLU A 57 20.393 -8.500 4.468 1.00 0.00 C ATOM 279 CG GLU A 57 21.907 -8.572 4.345 1.00 0.00 C ATOM 280 CD GLU A 57 22.444 -9.187 5.641 1.00 0.00 C ATOM 281 OE1 GLU A 57 21.778 -10.077 6.146 1.00 0.00 O ATOM 282 OE2 GLU A 57 23.497 -8.726 6.048 1.00 0.00 O ATOM 0 H GLU A 57 20.681 -6.045 4.088 1.00 0.00 H new ATOM 0 HA GLU A 57 19.908 -8.390 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.134 -7.991 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.991 -9.511 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.194 -9.178 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.327 -7.578 4.189 1.00 0.00 H new ATOM 289 N ASN A 58 17.482 -8.625 3.435 1.00 0.00 N ATOM 290 CA ASN A 58 16.032 -8.557 3.732 1.00 0.00 C ATOM 291 C ASN A 58 15.692 -7.942 5.096 1.00 0.00 C ATOM 292 O ASN A 58 15.014 -6.957 5.286 1.00 0.00 O ATOM 293 CB ASN A 58 15.528 -9.912 3.702 1.00 0.00 C ATOM 294 CG ASN A 58 15.430 -10.407 2.260 1.00 0.00 C ATOM 295 OD1 ASN A 58 14.664 -9.907 1.459 1.00 0.00 O ATOM 296 ND2 ASN A 58 16.201 -11.393 1.897 1.00 0.00 N ATOM 0 H ASN A 58 17.780 -9.506 3.017 1.00 0.00 H new ATOM 0 HA ASN A 58 15.576 -7.907 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.186 -10.565 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.547 -9.953 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.162 -11.745 0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.843 -11.812 2.569 1.00 0.00 H new ATOM 303 N GLU A 59 16.251 -8.692 5.985 1.00 0.00 N ATOM 304 CA GLU A 59 16.279 -8.608 7.456 1.00 0.00 C ATOM 305 C GLU A 59 16.262 -7.177 7.912 1.00 0.00 C ATOM 306 O GLU A 59 15.571 -6.685 8.781 1.00 0.00 O ATOM 307 CB GLU A 59 17.532 -9.268 7.784 1.00 0.00 C ATOM 308 CG GLU A 59 17.601 -9.882 9.185 1.00 0.00 C ATOM 309 CD GLU A 59 18.915 -10.670 9.297 1.00 0.00 C ATOM 310 OE1 GLU A 59 19.688 -10.587 8.355 1.00 0.00 O ATOM 311 OE2 GLU A 59 19.073 -11.313 10.321 1.00 0.00 O ATOM 0 H GLU A 59 16.784 -9.505 5.677 1.00 0.00 H new ATOM 0 HA GLU A 59 15.417 -9.066 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 17.712 -10.055 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.342 -8.546 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.559 -9.102 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.748 -10.539 9.355 1.00 0.00 H new ATOM 318 N GLU A 60 17.156 -6.623 7.168 1.00 0.00 N ATOM 319 CA GLU A 60 17.575 -5.262 7.183 1.00 0.00 C ATOM 320 C GLU A 60 16.549 -4.383 6.508 1.00 0.00 C ATOM 321 O GLU A 60 16.041 -3.474 7.115 1.00 0.00 O ATOM 322 CB GLU A 60 18.886 -5.339 6.505 1.00 0.00 C ATOM 323 CG GLU A 60 19.922 -4.750 7.376 1.00 0.00 C ATOM 324 CD GLU A 60 21.274 -4.759 6.650 1.00 0.00 C ATOM 325 OE1 GLU A 60 21.643 -5.832 6.198 1.00 0.00 O ATOM 326 OE2 GLU A 60 21.859 -3.691 6.588 1.00 0.00 O ATOM 0 H GLU A 60 17.661 -7.163 6.466 1.00 0.00 H new ATOM 0 HA GLU A 60 17.668 -4.804 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.131 -6.377 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.848 -4.807 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.649 -3.729 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.994 -5.315 8.305 1.00 0.00 H new ATOM 333 N LEU A 61 16.273 -4.690 5.274 1.00 0.00 N ATOM 334 CA LEU A 61 15.314 -3.995 4.410 1.00 0.00 C ATOM 335 C LEU A 61 14.069 -3.621 5.129 1.00 0.00 C ATOM 336 O LEU A 61 13.373 -2.673 4.842 1.00 0.00 O ATOM 337 CB LEU A 61 14.939 -4.882 3.188 1.00 0.00 C ATOM 338 CG LEU A 61 15.525 -4.334 1.878 1.00 0.00 C ATOM 339 CD1 LEU A 61 15.542 -2.828 1.973 1.00 0.00 C ATOM 340 CD2 LEU A 61 16.956 -4.819 1.829 1.00 0.00 C ATOM 0 H LEU A 61 16.726 -5.472 4.801 1.00 0.00 H new ATOM 0 HA LEU A 61 15.805 -3.080 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.302 -5.897 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.854 -4.942 3.103 1.00 0.00 H new ATOM 0 HG LEU A 61 14.955 -4.651 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.954 -2.410 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.525 -2.461 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.159 -2.524 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.431 -4.461 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.499 -4.438 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.971 -5.909 1.842 1.00 0.00 H new ATOM 352 N GLU A 62 13.876 -4.473 6.064 1.00 0.00 N ATOM 353 CA GLU A 62 12.797 -4.495 6.982 1.00 0.00 C ATOM 354 C GLU A 62 12.925 -3.494 8.123 1.00 0.00 C ATOM 355 O GLU A 62 12.048 -2.722 8.451 1.00 0.00 O ATOM 356 CB GLU A 62 12.839 -5.877 7.391 1.00 0.00 C ATOM 357 CG GLU A 62 12.141 -6.720 6.391 1.00 0.00 C ATOM 358 CD GLU A 62 12.285 -8.186 6.799 1.00 0.00 C ATOM 359 OE1 GLU A 62 11.813 -8.491 7.881 1.00 0.00 O ATOM 360 OE2 GLU A 62 12.860 -8.911 6.005 1.00 0.00 O ATOM 0 H GLU A 62 14.527 -5.243 6.222 1.00 0.00 H new ATOM 0 HA GLU A 62 11.841 -4.183 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.874 -6.203 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.368 -5.991 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.088 -6.445 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.566 -6.560 5.400 1.00 0.00 H new ATOM 367 N ALA A 63 14.074 -3.592 8.701 1.00 0.00 N ATOM 368 CA ALA A 63 14.484 -2.768 9.823 1.00 0.00 C ATOM 369 C ALA A 63 14.235 -1.364 9.358 1.00 0.00 C ATOM 370 O ALA A 63 13.631 -0.549 10.027 1.00 0.00 O ATOM 371 CB ALA A 63 15.955 -3.023 10.091 1.00 0.00 C ATOM 0 H ALA A 63 14.785 -4.262 8.409 1.00 0.00 H new ATOM 0 HA ALA A 63 13.950 -2.973 10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.283 -2.412 10.932 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.104 -4.076 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.536 -2.764 9.206 1.00 0.00 H new ATOM 377 N LEU A 64 14.729 -1.146 8.173 1.00 0.00 N ATOM 378 CA LEU A 64 14.582 0.166 7.564 1.00 0.00 C ATOM 379 C LEU A 64 13.353 0.546 6.845 1.00 0.00 C ATOM 380 O LEU A 64 12.999 1.696 6.688 1.00 0.00 O ATOM 381 CB LEU A 64 15.738 0.352 6.685 1.00 0.00 C ATOM 382 CG LEU A 64 15.687 -0.679 5.601 1.00 0.00 C ATOM 383 CD1 LEU A 64 15.195 -0.112 4.255 1.00 0.00 C ATOM 384 CD2 LEU A 64 17.048 -1.255 5.671 1.00 0.00 C ATOM 0 H LEU A 64 15.228 -1.836 7.611 1.00 0.00 H new ATOM 0 HA LEU A 64 14.509 0.831 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.728 1.353 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.664 0.258 7.253 1.00 0.00 H new ATOM 0 HG LEU A 64 14.940 -1.464 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.180 -0.907 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.190 0.292 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.867 0.681 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.151 -2.037 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.784 -0.473 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.213 -1.681 6.661 1.00 0.00 H new ATOM 396 N ASN A 65 12.803 -0.530 6.451 1.00 0.00 N ATOM 397 CA ASN A 65 11.545 -0.583 5.661 1.00 0.00 C ATOM 398 C ASN A 65 10.681 0.656 5.644 1.00 0.00 C ATOM 399 O ASN A 65 10.515 1.444 6.551 1.00 0.00 O ATOM 400 CB ASN A 65 10.613 -1.677 6.134 1.00 0.00 C ATOM 401 CG ASN A 65 9.835 -1.210 7.375 1.00 0.00 C ATOM 402 OD1 ASN A 65 10.387 -0.728 8.346 1.00 0.00 O ATOM 403 ND2 ASN A 65 8.540 -1.339 7.380 1.00 0.00 N ATOM 0 H ASN A 65 13.191 -1.452 6.651 1.00 0.00 H new ATOM 0 HA ASN A 65 11.954 -0.742 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.917 -1.942 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.184 -2.575 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.001 -1.038 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.064 -1.742 6.572 1.00 0.00 H new ATOM 410 N ILE A 66 10.123 0.710 4.485 1.00 0.00 N ATOM 411 CA ILE A 66 9.216 1.788 4.086 1.00 0.00 C ATOM 412 C ILE A 66 7.896 1.190 3.830 1.00 0.00 C ATOM 413 O ILE A 66 7.701 0.298 3.033 1.00 0.00 O ATOM 414 CB ILE A 66 9.912 2.352 2.930 1.00 0.00 C ATOM 415 CG1 ILE A 66 9.111 3.446 2.224 1.00 0.00 C ATOM 416 CG2 ILE A 66 10.558 1.305 1.931 1.00 0.00 C ATOM 417 CD1 ILE A 66 8.749 4.584 3.185 1.00 0.00 C ATOM 0 H ILE A 66 10.271 0.008 3.760 1.00 0.00 H new ATOM 0 HA ILE A 66 9.009 2.578 4.808 1.00 0.00 H new ATOM 0 HB ILE A 66 10.782 2.837 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.690 3.843 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.200 3.019 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.046 1.836 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.294 0.701 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.779 0.657 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.180 5.345 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.148 4.191 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.661 5.027 3.584 1.00 0.00 H new ATOM 429 N GLU A 67 7.052 1.800 4.587 1.00 0.00 N ATOM 430 CA GLU A 67 5.631 1.482 4.632 1.00 0.00 C ATOM 431 C GLU A 67 4.884 2.441 3.754 1.00 0.00 C ATOM 432 O GLU A 67 4.075 3.185 4.256 1.00 0.00 O ATOM 433 CB GLU A 67 5.236 1.600 6.063 1.00 0.00 C ATOM 434 CG GLU A 67 6.139 0.662 6.894 1.00 0.00 C ATOM 435 CD GLU A 67 5.862 0.831 8.386 1.00 0.00 C ATOM 436 OE1 GLU A 67 5.173 1.781 8.713 1.00 0.00 O ATOM 437 OE2 GLU A 67 6.371 0.005 9.120 1.00 0.00 O ATOM 0 H GLU A 67 7.319 2.557 5.216 1.00 0.00 H new ATOM 0 HA GLU A 67 5.405 0.481 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.344 2.630 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.188 1.330 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.964 -0.373 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.187 0.879 6.686 1.00 0.00 H new ATOM 444 N VAL A 68 5.118 2.379 2.468 1.00 0.00 N ATOM 445 CA VAL A 68 4.406 3.319 1.641 1.00 0.00 C ATOM 446 C VAL A 68 3.063 2.896 1.420 1.00 0.00 C ATOM 447 O VAL A 68 2.607 1.783 1.288 1.00 0.00 O ATOM 448 CB VAL A 68 4.973 3.540 0.293 1.00 0.00 C ATOM 449 CG1 VAL A 68 5.679 4.863 0.483 1.00 0.00 C ATOM 450 CG2 VAL A 68 5.911 2.425 -0.136 1.00 0.00 C ATOM 0 H VAL A 68 5.751 1.735 1.995 1.00 0.00 H new ATOM 0 HA VAL A 68 4.481 4.245 2.211 1.00 0.00 H new ATOM 0 HB VAL A 68 4.231 3.549 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.155 5.159 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.955 5.623 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.437 4.763 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.298 2.638 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.740 2.356 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.369 1.480 -0.152 1.00 0.00 H new ATOM 460 N ALA A 69 2.487 4.019 1.380 1.00 0.00 N ATOM 461 CA ALA A 69 1.094 4.108 1.220 1.00 0.00 C ATOM 462 C ALA A 69 0.447 4.231 -0.040 1.00 0.00 C ATOM 463 O ALA A 69 0.929 4.180 -1.149 1.00 0.00 O ATOM 464 CB ALA A 69 0.850 5.128 1.920 1.00 0.00 C ATOM 0 H ALA A 69 2.967 4.916 1.457 1.00 0.00 H new ATOM 0 HA ALA A 69 0.690 3.128 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.220 5.337 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.164 4.947 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.394 5.983 1.519 1.00 0.00 H new ATOM 470 N VAL A 70 -0.759 4.384 0.361 1.00 0.00 N ATOM 471 CA VAL A 70 -1.831 4.592 -0.576 1.00 0.00 C ATOM 472 C VAL A 70 -2.857 5.433 0.109 1.00 0.00 C ATOM 473 O VAL A 70 -3.453 5.166 1.132 1.00 0.00 O ATOM 474 CB VAL A 70 -2.482 3.365 -1.009 1.00 0.00 C ATOM 475 CG1 VAL A 70 -1.350 2.612 -1.547 1.00 0.00 C ATOM 476 CG2 VAL A 70 -3.097 2.485 0.080 1.00 0.00 C ATOM 0 H VAL A 70 -1.045 4.371 1.340 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.405 5.057 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.317 3.617 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.697 1.647 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.896 3.172 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.611 2.455 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.549 1.604 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.320 2.174 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.861 3.049 0.615 1.00 0.00 H new ATOM 486 N ALA A 71 -2.950 6.513 -0.534 1.00 0.00 N ATOM 487 CA ALA A 71 -3.875 7.582 -0.132 1.00 0.00 C ATOM 488 C ALA A 71 -4.751 7.812 -1.322 1.00 0.00 C ATOM 489 O ALA A 71 -4.587 7.181 -2.346 1.00 0.00 O ATOM 490 CB ALA A 71 -3.030 8.801 0.231 1.00 0.00 C ATOM 0 H ALA A 71 -2.401 6.726 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.496 7.348 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.683 9.619 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.359 8.547 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.444 9.108 -0.635 1.00 0.00 H new ATOM 496 N GLY A 72 -5.666 8.713 -1.157 1.00 0.00 N ATOM 497 CA GLY A 72 -6.535 8.988 -2.327 1.00 0.00 C ATOM 498 C GLY A 72 -7.884 8.317 -2.342 1.00 0.00 C ATOM 499 O GLY A 72 -8.680 8.494 -1.443 1.00 0.00 O ATOM 0 H GLY A 72 -5.848 9.249 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.690 10.065 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.997 8.691 -3.227 1.00 0.00 H new ATOM 503 N ARG A 73 -8.036 7.582 -3.421 1.00 0.00 N ATOM 504 CA ARG A 73 -9.249 6.799 -3.750 1.00 0.00 C ATOM 505 C ARG A 73 -8.839 5.402 -4.222 1.00 0.00 C ATOM 506 O ARG A 73 -7.661 5.112 -4.272 1.00 0.00 O ATOM 507 CB ARG A 73 -9.965 7.569 -4.820 1.00 0.00 C ATOM 508 CG ARG A 73 -8.938 8.171 -5.776 1.00 0.00 C ATOM 509 CD ARG A 73 -9.685 8.950 -6.840 1.00 0.00 C ATOM 510 NE ARG A 73 -8.699 9.768 -7.594 1.00 0.00 N ATOM 511 CZ ARG A 73 -8.595 9.619 -8.887 1.00 0.00 C ATOM 512 NH1 ARG A 73 -9.690 9.591 -9.595 1.00 0.00 N ATOM 513 NH2 ARG A 73 -7.405 9.507 -9.413 1.00 0.00 N ATOM 0 H ARG A 73 -7.306 7.497 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.905 6.660 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.645 6.913 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.571 8.358 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.253 8.825 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.336 7.385 -6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.208 8.270 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.440 9.590 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.108 10.441 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.596 9.684 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.640 9.476 -10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.579 9.537 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.302 9.390 -10.421 1.00 0.00 H new ATOM 527 N MET A 74 -9.817 4.596 -4.560 1.00 0.00 N ATOM 528 CA MET A 74 -9.551 3.193 -5.032 1.00 0.00 C ATOM 529 C MET A 74 -9.893 2.962 -6.501 1.00 0.00 C ATOM 530 O MET A 74 -10.501 3.804 -7.132 1.00 0.00 O ATOM 531 CB MET A 74 -10.382 2.244 -4.181 1.00 0.00 C ATOM 532 CG MET A 74 -11.829 2.214 -4.740 1.00 0.00 C ATOM 533 SD MET A 74 -12.627 3.779 -5.188 1.00 0.00 S ATOM 534 CE MET A 74 -14.223 3.115 -5.723 1.00 0.00 C ATOM 0 H MET A 74 -10.804 4.852 -4.529 1.00 0.00 H new ATOM 0 HA MET A 74 -8.480 3.015 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.949 1.244 -4.198 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.385 2.572 -3.142 1.00 0.00 H new ATOM 0 HG2 MET A 74 -11.827 1.579 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.459 1.723 -3.998 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.869 3.933 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.070 2.427 -6.554 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.693 2.585 -4.895 1.00 0.00 H new ATOM 544 N MET A 75 -9.485 1.823 -7.017 1.00 0.00 N ATOM 545 CA MET A 75 -9.790 1.535 -8.423 1.00 0.00 C ATOM 546 C MET A 75 -10.352 0.122 -8.430 1.00 0.00 C ATOM 547 O MET A 75 -11.550 -0.056 -8.357 1.00 0.00 O ATOM 548 CB MET A 75 -8.499 1.632 -9.249 1.00 0.00 C ATOM 549 CG MET A 75 -8.800 1.475 -10.742 1.00 0.00 C ATOM 550 SD MET A 75 -9.814 2.734 -11.556 1.00 0.00 S ATOM 551 CE MET A 75 -11.292 1.731 -11.844 1.00 0.00 C ATOM 0 H MET A 75 -8.963 1.102 -6.520 1.00 0.00 H new ATOM 0 HA MET A 75 -10.501 2.237 -8.859 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.017 2.593 -9.069 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.799 0.860 -8.931 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.847 1.425 -11.269 1.00 0.00 H new ATOM 0 HG3 MET A 75 -9.292 0.512 -10.882 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.049 2.334 -12.345 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.036 0.877 -12.470 1.00 0.00 H new ATOM 0 HE3 MET A 75 -11.683 1.377 -10.890 1.00 0.00 H new ATOM 561 N THR A 76 -9.481 -0.847 -8.520 1.00 0.00 N ATOM 562 CA THR A 76 -9.992 -2.257 -8.542 1.00 0.00 C ATOM 563 C THR A 76 -9.691 -3.136 -7.371 1.00 0.00 C ATOM 564 O THR A 76 -8.727 -2.960 -6.658 1.00 0.00 O ATOM 565 CB THR A 76 -9.503 -3.017 -9.759 1.00 0.00 C ATOM 566 OG1 THR A 76 -10.452 -4.069 -9.862 1.00 0.00 O ATOM 567 CG2 THR A 76 -8.224 -3.817 -9.505 1.00 0.00 C ATOM 0 H THR A 76 -8.469 -0.736 -8.578 1.00 0.00 H new ATOM 0 HA THR A 76 -11.066 -2.071 -8.536 1.00 0.00 H new ATOM 0 HB THR A 76 -9.361 -2.317 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.231 -4.635 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.932 -4.335 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.426 -3.140 -9.201 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.402 -4.546 -8.715 1.00 0.00 H new ATOM 575 N ARG A 77 -10.570 -4.068 -7.231 1.00 0.00 N ATOM 576 CA ARG A 77 -10.434 -5.067 -6.141 1.00 0.00 C ATOM 577 C ARG A 77 -10.039 -6.391 -6.802 1.00 0.00 C ATOM 578 O ARG A 77 -10.452 -6.640 -7.917 1.00 0.00 O ATOM 579 CB ARG A 77 -11.768 -5.214 -5.392 1.00 0.00 C ATOM 580 CG ARG A 77 -12.897 -5.550 -6.370 1.00 0.00 C ATOM 581 CD ARG A 77 -14.152 -5.853 -5.567 1.00 0.00 C ATOM 582 NE ARG A 77 -15.215 -6.238 -6.534 1.00 0.00 N ATOM 583 CZ ARG A 77 -16.343 -5.586 -6.538 1.00 0.00 C ATOM 584 NH1 ARG A 77 -16.312 -4.284 -6.621 1.00 0.00 N ATOM 585 NH2 ARG A 77 -17.455 -6.261 -6.458 1.00 0.00 N ATOM 0 H ARG A 77 -11.388 -4.188 -7.828 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.682 -4.759 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -11.685 -5.998 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.999 -4.289 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.073 -4.715 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -12.624 -6.408 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.968 -6.659 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.457 -4.982 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.062 -7.006 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.417 -3.798 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.183 -3.752 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.430 -7.279 -6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.350 -5.772 -6.459 1.00 0.00 H new ATOM 599 N ARG A 78 -9.268 -7.215 -6.153 1.00 0.00 N ATOM 600 CA ARG A 78 -8.902 -8.507 -6.805 1.00 0.00 C ATOM 601 C ARG A 78 -9.026 -9.493 -5.667 1.00 0.00 C ATOM 602 O ARG A 78 -8.109 -10.216 -5.324 1.00 0.00 O ATOM 603 CB ARG A 78 -7.468 -8.501 -7.317 1.00 0.00 C ATOM 604 CG ARG A 78 -7.358 -9.607 -8.374 1.00 0.00 C ATOM 605 CD ARG A 78 -5.935 -9.649 -8.925 1.00 0.00 C ATOM 606 NE ARG A 78 -5.637 -8.327 -9.545 1.00 0.00 N ATOM 607 CZ ARG A 78 -4.690 -7.576 -9.055 1.00 0.00 C ATOM 608 NH1 ARG A 78 -3.509 -8.094 -8.859 1.00 0.00 N ATOM 609 NH2 ARG A 78 -4.960 -6.328 -8.781 1.00 0.00 N ATOM 0 H ARG A 78 -8.882 -7.059 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.526 -8.727 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.217 -7.531 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.768 -8.678 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.617 -10.570 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.066 -9.424 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.224 -9.863 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.836 -10.446 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.174 -8.010 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.337 -9.073 -9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.757 -7.520 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.896 -5.959 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.235 -5.722 -8.397 1.00 0.00 H new ATOM 623 N ILE A 79 -10.193 -9.484 -5.097 1.00 0.00 N ATOM 624 CA ILE A 79 -10.413 -10.402 -3.964 1.00 0.00 C ATOM 625 C ILE A 79 -10.621 -11.877 -4.178 1.00 0.00 C ATOM 626 O ILE A 79 -11.162 -12.362 -5.153 1.00 0.00 O ATOM 627 CB ILE A 79 -11.579 -9.868 -3.174 1.00 0.00 C ATOM 628 CG1 ILE A 79 -12.765 -9.583 -4.105 1.00 0.00 C ATOM 629 CG2 ILE A 79 -11.034 -8.596 -2.597 1.00 0.00 C ATOM 630 CD1 ILE A 79 -14.008 -9.292 -3.263 1.00 0.00 C ATOM 0 H ILE A 79 -10.983 -8.895 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.440 -10.398 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 79 -11.949 -10.558 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.541 -8.733 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.945 -10.438 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.802 -8.112 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.170 -8.821 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.733 -7.929 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.853 -9.089 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -14.234 -10.156 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.824 -8.424 -2.630 1.00 0.00 H new ATOM 642 N MET A 80 -10.128 -12.511 -3.150 1.00 0.00 N ATOM 643 CA MET A 80 -10.157 -13.994 -3.026 1.00 0.00 C ATOM 644 C MET A 80 -10.254 -14.448 -1.559 1.00 0.00 C ATOM 645 O MET A 80 -9.301 -14.967 -1.018 1.00 0.00 O ATOM 646 CB MET A 80 -8.884 -14.541 -3.696 1.00 0.00 C ATOM 647 CG MET A 80 -7.634 -13.794 -3.211 1.00 0.00 C ATOM 648 SD MET A 80 -6.056 -14.255 -3.968 1.00 0.00 S ATOM 649 CE MET A 80 -5.646 -15.635 -2.874 1.00 0.00 C ATOM 0 H MET A 80 -9.688 -12.040 -2.359 1.00 0.00 H new ATOM 0 HA MET A 80 -11.046 -14.386 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.783 -15.604 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.970 -14.446 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.791 -12.728 -3.377 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.549 -13.940 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.692 -16.067 -3.175 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.574 -15.276 -1.847 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.425 -16.395 -2.939 1.00 0.00 H new ATOM 659 N GLY A 81 -11.405 -14.240 -0.966 1.00 0.00 N ATOM 660 CA GLY A 81 -11.637 -14.631 0.465 1.00 0.00 C ATOM 661 C GLY A 81 -10.439 -14.377 1.390 1.00 0.00 C ATOM 662 O GLY A 81 -9.701 -15.297 1.683 1.00 0.00 O ATOM 0 H GLY A 81 -12.210 -13.808 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.498 -14.081 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.893 -15.690 0.503 1.00 0.00 H new ATOM 666 N LYS A 82 -10.320 -13.130 1.784 1.00 0.00 N ATOM 667 CA LYS A 82 -9.248 -12.590 2.688 1.00 0.00 C ATOM 668 C LYS A 82 -8.152 -12.118 1.785 1.00 0.00 C ATOM 669 O LYS A 82 -8.347 -12.208 0.592 1.00 0.00 O ATOM 670 CB LYS A 82 -8.727 -13.676 3.678 1.00 0.00 C ATOM 671 CG LYS A 82 -9.960 -14.138 4.476 1.00 0.00 C ATOM 672 CD LYS A 82 -9.546 -14.897 5.725 1.00 0.00 C ATOM 673 CE LYS A 82 -10.822 -15.222 6.498 1.00 0.00 C ATOM 674 NZ LYS A 82 -10.479 -15.869 7.794 1.00 0.00 N ATOM 0 H LYS A 82 -10.979 -12.409 1.489 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.633 -11.782 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.273 -14.509 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.963 -13.268 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.563 -13.273 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.586 -14.774 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.012 -15.810 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.869 -14.297 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.392 -14.310 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.456 -15.884 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.352 -16.087 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.954 -16.748 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.891 -15.224 8.359 1.00 0.00 H new ATOM 688 N ALA A 83 -7.076 -11.640 2.369 1.00 0.00 N ATOM 689 CA ALA A 83 -5.919 -11.118 1.588 1.00 0.00 C ATOM 690 C ALA A 83 -6.017 -11.293 0.109 1.00 0.00 C ATOM 691 O ALA A 83 -6.020 -12.352 -0.488 1.00 0.00 O ATOM 692 CB ALA A 83 -4.782 -11.726 2.000 1.00 0.00 C ATOM 0 H ALA A 83 -6.954 -11.591 3.381 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.917 -10.045 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.937 -11.343 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.625 -11.524 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.868 -12.801 1.845 1.00 0.00 H new ATOM 698 N SER A 84 -6.080 -10.113 -0.383 1.00 0.00 N ATOM 699 CA SER A 84 -6.225 -9.837 -1.816 1.00 0.00 C ATOM 700 C SER A 84 -5.215 -8.874 -2.390 1.00 0.00 C ATOM 701 O SER A 84 -4.270 -8.488 -1.743 1.00 0.00 O ATOM 702 CB SER A 84 -7.622 -9.384 -1.818 1.00 0.00 C ATOM 703 OG SER A 84 -8.340 -10.597 -1.641 1.00 0.00 O ATOM 0 H SER A 84 -6.034 -9.270 0.190 1.00 0.00 H new ATOM 0 HA SER A 84 -6.022 -10.679 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.820 -8.675 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.886 -8.889 -2.752 1.00 0.00 H new ATOM 0 HG SER A 84 -8.673 -10.649 -0.721 1.00 0.00 H new ATOM 709 N PHE A 85 -5.453 -8.543 -3.624 1.00 0.00 N ATOM 710 CA PHE A 85 -4.584 -7.606 -4.329 1.00 0.00 C ATOM 711 C PHE A 85 -5.584 -6.528 -4.748 1.00 0.00 C ATOM 712 O PHE A 85 -6.677 -6.826 -5.184 1.00 0.00 O ATOM 713 CB PHE A 85 -3.996 -8.328 -5.486 1.00 0.00 C ATOM 714 CG PHE A 85 -3.302 -9.606 -4.997 1.00 0.00 C ATOM 715 CD1 PHE A 85 -2.001 -9.595 -4.517 1.00 0.00 C ATOM 716 CD2 PHE A 85 -3.995 -10.801 -5.035 1.00 0.00 C ATOM 717 CE1 PHE A 85 -1.403 -10.761 -4.085 1.00 0.00 C ATOM 718 CE2 PHE A 85 -3.396 -11.966 -4.602 1.00 0.00 C ATOM 719 CZ PHE A 85 -2.102 -11.949 -4.127 1.00 0.00 C ATOM 0 H PHE A 85 -6.235 -8.898 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.746 -7.191 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.776 -8.578 -6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.280 -7.688 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.451 -8.666 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.009 -10.823 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.389 -10.743 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.944 -12.896 -4.635 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.637 -12.863 -3.789 1.00 0.00 H new ATOM 729 N VAL A 86 -5.206 -5.300 -4.595 1.00 0.00 N ATOM 730 CA VAL A 86 -6.114 -4.182 -4.968 1.00 0.00 C ATOM 731 C VAL A 86 -5.305 -3.194 -5.773 1.00 0.00 C ATOM 732 O VAL A 86 -4.095 -3.263 -5.764 1.00 0.00 O ATOM 733 CB VAL A 86 -6.569 -3.666 -3.682 1.00 0.00 C ATOM 734 CG1 VAL A 86 -5.565 -2.835 -2.969 1.00 0.00 C ATOM 735 CG2 VAL A 86 -7.896 -2.993 -3.850 1.00 0.00 C ATOM 0 H VAL A 86 -4.300 -5.015 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.973 -4.446 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.701 -4.517 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.983 -2.491 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.672 -3.429 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.303 -1.974 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.233 -2.609 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.799 -2.168 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.623 -3.711 -4.229 1.00 0.00 H new ATOM 745 N THR A 87 -5.971 -2.312 -6.450 1.00 0.00 N ATOM 746 CA THR A 87 -5.240 -1.307 -7.245 1.00 0.00 C ATOM 747 C THR A 87 -5.920 -0.057 -6.770 1.00 0.00 C ATOM 748 O THR A 87 -7.133 0.044 -6.822 1.00 0.00 O ATOM 749 CB THR A 87 -5.464 -1.484 -8.713 1.00 0.00 C ATOM 750 OG1 THR A 87 -5.102 -2.843 -8.910 1.00 0.00 O ATOM 751 CG2 THR A 87 -4.354 -0.693 -9.392 1.00 0.00 C ATOM 0 H THR A 87 -6.988 -2.245 -6.486 1.00 0.00 H new ATOM 0 HA THR A 87 -4.158 -1.340 -7.121 1.00 0.00 H new ATOM 0 HB THR A 87 -6.458 -1.204 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.213 -3.077 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.456 -0.778 -10.474 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.425 0.355 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.386 -1.089 -9.087 1.00 0.00 H new ATOM 759 N LEU A 88 -5.097 0.850 -6.331 1.00 0.00 N ATOM 760 CA LEU A 88 -5.609 2.139 -5.805 1.00 0.00 C ATOM 761 C LEU A 88 -5.148 3.279 -6.654 1.00 0.00 C ATOM 762 O LEU A 88 -4.290 3.122 -7.496 1.00 0.00 O ATOM 763 CB LEU A 88 -5.085 2.344 -4.413 1.00 0.00 C ATOM 764 CG LEU A 88 -5.845 1.622 -3.285 1.00 0.00 C ATOM 765 CD1 LEU A 88 -6.738 2.659 -2.655 1.00 0.00 C ATOM 766 CD2 LEU A 88 -6.741 0.481 -3.774 1.00 0.00 C ATOM 0 H LEU A 88 -4.082 0.751 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.698 2.106 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.045 2.019 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.090 3.413 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.113 1.182 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.306 2.205 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.129 3.473 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.426 3.051 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.243 0.022 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.486 0.874 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.133 -0.267 -4.283 1.00 0.00 H new ATOM 778 N GLN A 89 -5.743 4.408 -6.391 1.00 0.00 N ATOM 779 CA GLN A 89 -5.382 5.601 -7.154 1.00 0.00 C ATOM 780 C GLN A 89 -5.094 6.768 -6.226 1.00 0.00 C ATOM 781 O GLN A 89 -5.436 6.747 -5.058 1.00 0.00 O ATOM 782 CB GLN A 89 -6.502 6.024 -8.010 1.00 0.00 C ATOM 783 CG GLN A 89 -7.428 4.895 -8.368 1.00 0.00 C ATOM 784 CD GLN A 89 -8.503 5.477 -9.286 1.00 0.00 C ATOM 785 OE1 GLN A 89 -9.304 6.294 -8.879 1.00 0.00 O ATOM 786 NE2 GLN A 89 -8.547 5.088 -10.530 1.00 0.00 N ATOM 0 H GLN A 89 -6.461 4.542 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.504 5.344 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.068 6.803 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.106 6.466 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.885 4.094 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.876 4.465 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.875 4.402 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.253 5.470 -11.159 1.00 0.00 H new ATOM 795 N ASP A 90 -4.474 7.764 -6.793 1.00 0.00 N ATOM 796 CA ASP A 90 -4.144 8.965 -6.005 1.00 0.00 C ATOM 797 C ASP A 90 -4.368 10.110 -6.954 1.00 0.00 C ATOM 798 O ASP A 90 -4.713 9.887 -8.096 1.00 0.00 O ATOM 799 CB ASP A 90 -2.696 8.913 -5.551 1.00 0.00 C ATOM 800 CG ASP A 90 -1.755 8.577 -6.712 1.00 0.00 C ATOM 801 OD1 ASP A 90 -1.674 9.385 -7.624 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.165 7.514 -6.612 1.00 0.00 O ATOM 0 H ASP A 90 -4.184 7.791 -7.771 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.749 9.056 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.414 9.873 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.587 8.166 -4.765 1.00 0.00 H new ATOM 807 N VAL A 91 -4.159 11.285 -6.444 1.00 0.00 N ATOM 808 CA VAL A 91 -4.326 12.521 -7.233 1.00 0.00 C ATOM 809 C VAL A 91 -4.153 12.389 -8.750 1.00 0.00 C ATOM 810 O VAL A 91 -5.032 12.764 -9.497 1.00 0.00 O ATOM 811 CB VAL A 91 -3.348 13.491 -6.638 1.00 0.00 C ATOM 812 CG1 VAL A 91 -2.806 14.463 -7.679 1.00 0.00 C ATOM 813 CG2 VAL A 91 -4.142 14.236 -5.592 1.00 0.00 C ATOM 0 H VAL A 91 -3.869 11.441 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.363 12.849 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.478 12.978 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.102 15.147 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.298 13.907 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.630 15.031 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.501 14.970 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.981 14.745 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.517 13.531 -4.850 1.00 0.00 H new ATOM 823 N GLY A 92 -3.026 11.866 -9.162 1.00 0.00 N ATOM 824 CA GLY A 92 -2.779 11.710 -10.622 1.00 0.00 C ATOM 825 C GLY A 92 -2.272 10.333 -11.054 1.00 0.00 C ATOM 826 O GLY A 92 -1.582 10.241 -12.050 1.00 0.00 O ATOM 0 H GLY A 92 -2.273 11.543 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.706 11.922 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.053 12.461 -10.934 1.00 0.00 H new ATOM 830 N GLY A 93 -2.586 9.276 -10.353 1.00 0.00 N ATOM 831 CA GLY A 93 -2.039 7.981 -10.878 1.00 0.00 C ATOM 832 C GLY A 93 -2.310 6.802 -9.961 1.00 0.00 C ATOM 833 O GLY A 93 -2.767 6.986 -8.854 1.00 0.00 O ATOM 0 H GLY A 93 -3.152 9.241 -9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.475 7.780 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.963 8.081 -11.023 1.00 0.00 H new ATOM 837 N ARG A 94 -2.033 5.610 -10.432 1.00 0.00 N ATOM 838 CA ARG A 94 -2.275 4.431 -9.584 1.00 0.00 C ATOM 839 C ARG A 94 -1.069 3.551 -9.364 1.00 0.00 C ATOM 840 O ARG A 94 -0.067 3.580 -10.049 1.00 0.00 O ATOM 841 CB ARG A 94 -3.259 3.573 -10.192 1.00 0.00 C ATOM 842 CG ARG A 94 -4.558 4.228 -10.337 1.00 0.00 C ATOM 843 CD ARG A 94 -4.697 4.828 -11.744 1.00 0.00 C ATOM 844 NE ARG A 94 -4.567 3.719 -12.733 1.00 0.00 N ATOM 845 CZ ARG A 94 -5.510 3.519 -13.611 1.00 0.00 C ATOM 846 NH1 ARG A 94 -6.698 3.173 -13.194 1.00 0.00 N ATOM 847 NH2 ARG A 94 -5.221 3.673 -14.873 1.00 0.00 N ATOM 0 H ARG A 94 -1.654 5.416 -11.359 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.589 4.854 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.904 3.256 -11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.375 2.673 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.358 3.509 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.663 5.012 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.661 5.325 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.929 5.582 -11.914 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.742 3.119 -12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.876 3.063 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.448 3.012 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.277 3.943 -15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.938 3.523 -15.582 1.00 0.00 H new ATOM 861 N ILE A 95 -1.281 2.779 -8.342 1.00 0.00 N ATOM 862 CA ILE A 95 -0.258 1.786 -7.896 1.00 0.00 C ATOM 863 C ILE A 95 -0.980 0.464 -7.669 1.00 0.00 C ATOM 864 O ILE A 95 -2.190 0.471 -7.519 1.00 0.00 O ATOM 865 CB ILE A 95 0.397 2.291 -6.597 1.00 0.00 C ATOM 866 CG1 ILE A 95 -0.363 1.904 -5.300 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.395 3.815 -6.707 1.00 0.00 C ATOM 868 CD1 ILE A 95 -1.715 2.611 -5.169 1.00 0.00 C ATOM 0 H ILE A 95 -2.134 2.790 -7.783 1.00 0.00 H new ATOM 0 HA ILE A 95 0.528 1.652 -8.639 1.00 0.00 H new ATOM 0 HB ILE A 95 1.385 1.838 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.520 0.825 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.255 2.149 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.848 4.245 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.966 4.117 -7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.631 4.172 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.200 2.301 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.561 3.690 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.348 2.346 -6.016 1.00 0.00 H new ATOM 880 N GLN A 96 -0.261 -0.634 -7.632 1.00 0.00 N ATOM 881 CA GLN A 96 -0.975 -1.905 -7.412 1.00 0.00 C ATOM 882 C GLN A 96 -0.444 -2.366 -6.086 1.00 0.00 C ATOM 883 O GLN A 96 0.749 -2.305 -5.845 1.00 0.00 O ATOM 884 CB GLN A 96 -0.617 -2.835 -8.568 1.00 0.00 C ATOM 885 CG GLN A 96 -0.053 -4.144 -8.046 1.00 0.00 C ATOM 886 CD GLN A 96 0.304 -5.015 -9.250 1.00 0.00 C ATOM 887 OE1 GLN A 96 1.171 -4.682 -10.035 1.00 0.00 O ATOM 888 NE2 GLN A 96 -0.341 -6.133 -9.437 1.00 0.00 N ATOM 0 H GLN A 96 0.751 -0.695 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.063 -1.850 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.503 -3.030 -9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.113 -2.352 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.829 -3.962 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.783 -4.649 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.069 -6.417 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.117 -6.723 -10.238 1.00 0.00 H new ATOM 897 N LEU A 97 -1.337 -2.802 -5.248 1.00 0.00 N ATOM 898 CA LEU A 97 -0.843 -3.255 -3.961 1.00 0.00 C ATOM 899 C LEU A 97 -1.461 -4.583 -3.614 1.00 0.00 C ATOM 900 O LEU A 97 -2.104 -5.247 -4.403 1.00 0.00 O ATOM 901 CB LEU A 97 -1.139 -2.146 -2.909 1.00 0.00 C ATOM 902 CG LEU A 97 -2.567 -1.710 -2.919 1.00 0.00 C ATOM 903 CD1 LEU A 97 -2.880 -1.074 -1.567 1.00 0.00 C ATOM 904 CD2 LEU A 97 -2.786 -0.630 -3.971 1.00 0.00 C ATOM 0 H LEU A 97 -2.344 -2.857 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 97 0.235 -3.418 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.883 -2.515 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.499 -1.285 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.197 -2.574 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.920 -0.747 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.717 -1.805 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.227 -0.216 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.832 -0.323 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.154 0.230 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.528 -1.023 -4.955 1.00 0.00 H new ATOM 916 N TYR A 98 -1.214 -4.881 -2.389 1.00 0.00 N ATOM 917 CA TYR A 98 -1.654 -6.124 -1.755 1.00 0.00 C ATOM 918 C TYR A 98 -2.352 -5.694 -0.471 1.00 0.00 C ATOM 919 O TYR A 98 -1.916 -4.791 0.208 1.00 0.00 O ATOM 920 CB TYR A 98 -0.304 -6.831 -1.691 1.00 0.00 C ATOM 921 CG TYR A 98 -0.257 -8.206 -1.086 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.638 -8.431 0.216 1.00 0.00 C ATOM 923 CD2 TYR A 98 0.190 -9.247 -1.871 1.00 0.00 C ATOM 924 CE1 TYR A 98 -0.565 -9.716 0.726 1.00 0.00 C ATOM 925 CE2 TYR A 98 0.253 -10.509 -1.364 1.00 0.00 C ATOM 926 CZ TYR A 98 -0.124 -10.760 -0.063 1.00 0.00 C ATOM 927 OH TYR A 98 -0.059 -12.036 0.453 1.00 0.00 O ATOM 0 H TYR A 98 -0.689 -4.269 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.384 -6.795 -2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.086 -6.899 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.380 -6.195 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.989 -7.617 0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.491 -9.061 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.855 -9.903 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.601 -11.320 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 98 0.271 -12.651 -0.235 1.00 0.00 H new ATOM 937 N VAL A 99 -3.423 -6.361 -0.171 1.00 0.00 N ATOM 938 CA VAL A 99 -4.236 -6.104 1.009 1.00 0.00 C ATOM 939 C VAL A 99 -4.012 -7.352 1.796 1.00 0.00 C ATOM 940 O VAL A 99 -4.345 -8.396 1.277 1.00 0.00 O ATOM 941 CB VAL A 99 -5.663 -6.014 0.608 1.00 0.00 C ATOM 942 CG1 VAL A 99 -6.375 -5.996 1.888 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.895 -4.718 -0.078 1.00 0.00 C ATOM 0 H VAL A 99 -3.778 -7.124 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.992 -5.185 1.543 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.974 -6.819 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.448 -5.930 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.155 -6.910 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.052 -5.134 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.941 -4.646 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.653 -3.899 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.262 -4.656 -0.963 1.00 0.00 H new ATOM 953 N ALA A 100 -3.469 -7.276 2.974 1.00 0.00 N ATOM 954 CA ALA A 100 -3.296 -8.563 3.663 1.00 0.00 C ATOM 955 C ALA A 100 -4.138 -8.635 4.930 1.00 0.00 C ATOM 956 O ALA A 100 -4.489 -7.632 5.516 1.00 0.00 O ATOM 957 CB ALA A 100 -1.853 -8.610 3.890 1.00 0.00 C ATOM 0 H ALA A 100 -3.157 -6.435 3.459 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.641 -9.429 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.596 -9.536 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.333 -8.570 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.553 -7.759 4.502 1.00 0.00 H new ATOM 963 N ARG A 101 -4.431 -9.849 5.306 1.00 0.00 N ATOM 964 CA ARG A 101 -5.242 -10.096 6.519 1.00 0.00 C ATOM 965 C ARG A 101 -4.323 -10.482 7.684 1.00 0.00 C ATOM 966 O ARG A 101 -4.648 -11.335 8.488 1.00 0.00 O ATOM 967 CB ARG A 101 -6.204 -11.217 6.186 1.00 0.00 C ATOM 968 CG ARG A 101 -5.416 -12.498 5.880 1.00 0.00 C ATOM 969 CD ARG A 101 -6.004 -13.594 6.764 1.00 0.00 C ATOM 970 NE ARG A 101 -5.179 -14.822 6.640 1.00 0.00 N ATOM 971 CZ ARG A 101 -5.767 -15.952 6.355 1.00 0.00 C ATOM 972 NH1 ARG A 101 -6.674 -16.408 7.176 1.00 0.00 N ATOM 973 NH2 ARG A 101 -5.425 -16.580 5.266 1.00 0.00 N ATOM 0 H ARG A 101 -4.135 -10.691 4.812 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.794 -9.206 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.883 -11.387 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.817 -10.941 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.501 -12.763 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.355 -12.359 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.031 -13.264 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.032 -13.802 6.469 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.169 -14.783 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.909 -15.883 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.147 -17.289 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.710 -16.187 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.873 -17.464 5.025 1.00 0.00 H new ATOM 987 N ASP A 102 -3.194 -9.832 7.747 1.00 0.00 N ATOM 988 CA ASP A 102 -2.229 -10.133 8.840 1.00 0.00 C ATOM 989 C ASP A 102 -2.470 -9.223 10.040 1.00 0.00 C ATOM 990 O ASP A 102 -1.765 -9.274 11.026 1.00 0.00 O ATOM 991 CB ASP A 102 -0.839 -9.942 8.282 1.00 0.00 C ATOM 992 CG ASP A 102 -0.566 -11.079 7.298 1.00 0.00 C ATOM 993 OD1 ASP A 102 -0.494 -12.199 7.778 1.00 0.00 O ATOM 994 OD2 ASP A 102 -0.448 -10.766 6.125 1.00 0.00 O ATOM 0 H ASP A 102 -2.899 -9.108 7.091 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.356 -11.157 9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.758 -8.977 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.102 -9.947 9.085 1.00 0.00 H new ATOM 999 N ASP A 103 -3.476 -8.409 9.910 1.00 0.00 N ATOM 1000 CA ASP A 103 -3.825 -7.478 11.005 1.00 0.00 C ATOM 1001 C ASP A 103 -5.206 -7.927 11.464 1.00 0.00 C ATOM 1002 O ASP A 103 -5.359 -8.556 12.493 1.00 0.00 O ATOM 1003 CB ASP A 103 -3.834 -6.121 10.453 1.00 0.00 C ATOM 1004 CG ASP A 103 -2.414 -5.668 10.105 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -1.667 -5.460 11.046 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -2.159 -5.560 8.915 1.00 0.00 O ATOM 0 H ASP A 103 -4.073 -8.351 9.085 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.129 -7.480 11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.460 -6.090 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.274 -5.433 11.175 1.00 0.00 H new ATOM 1011 N LEU A 104 -6.175 -7.580 10.665 1.00 0.00 N ATOM 1012 CA LEU A 104 -7.590 -7.929 10.932 1.00 0.00 C ATOM 1013 C LEU A 104 -8.037 -8.634 9.641 1.00 0.00 C ATOM 1014 O LEU A 104 -7.940 -8.032 8.591 1.00 0.00 O ATOM 1015 CB LEU A 104 -8.365 -6.644 11.153 1.00 0.00 C ATOM 1016 CG LEU A 104 -8.176 -5.981 12.545 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -8.368 -7.000 13.680 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -6.815 -5.289 12.695 1.00 0.00 C ATOM 0 H LEU A 104 -6.034 -7.048 9.806 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.744 -8.556 11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.073 -5.927 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.426 -6.850 11.009 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.946 -5.213 12.617 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.229 -6.505 14.641 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.374 -7.417 13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.637 -7.802 13.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.740 -4.844 13.687 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.018 -6.021 12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.718 -4.509 11.940 1.00 0.00 H new ATOM 1030 N PRO A 105 -8.504 -9.861 9.702 1.00 0.00 N ATOM 1031 CA PRO A 105 -8.852 -10.630 8.480 1.00 0.00 C ATOM 1032 C PRO A 105 -10.296 -10.390 8.071 1.00 0.00 C ATOM 1033 O PRO A 105 -11.030 -11.235 7.601 1.00 0.00 O ATOM 1034 CB PRO A 105 -8.548 -12.049 8.909 1.00 0.00 C ATOM 1035 CG PRO A 105 -9.129 -12.045 10.354 1.00 0.00 C ATOM 1036 CD PRO A 105 -8.722 -10.658 10.935 1.00 0.00 C ATOM 0 HA PRO A 105 -8.300 -10.349 7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.033 -12.787 8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.480 -12.266 8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.212 -12.170 10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.718 -12.861 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.505 -10.233 11.563 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.821 -10.720 11.546 1.00 0.00 H new ATOM 1044 N GLU A 106 -10.587 -9.155 8.299 1.00 0.00 N ATOM 1045 CA GLU A 106 -11.794 -8.449 8.085 1.00 0.00 C ATOM 1046 C GLU A 106 -12.058 -7.808 6.744 1.00 0.00 C ATOM 1047 O GLU A 106 -11.399 -8.035 5.749 1.00 0.00 O ATOM 1048 CB GLU A 106 -11.738 -7.480 9.158 1.00 0.00 C ATOM 1049 CG GLU A 106 -12.456 -8.108 10.180 1.00 0.00 C ATOM 1050 CD GLU A 106 -12.436 -7.243 11.436 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -13.180 -6.277 11.435 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -11.676 -7.595 12.322 1.00 0.00 O ATOM 0 H GLU A 106 -9.880 -8.536 8.696 1.00 0.00 H new ATOM 0 HA GLU A 106 -12.633 -9.145 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.712 -7.266 9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -12.190 -6.531 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -13.484 -8.279 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -12.022 -9.085 10.394 1.00 0.00 H new ATOM 1059 N GLY A 107 -13.082 -7.006 6.845 1.00 0.00 N ATOM 1060 CA GLY A 107 -13.558 -6.222 5.662 1.00 0.00 C ATOM 1061 C GLY A 107 -13.193 -4.758 5.923 1.00 0.00 C ATOM 1062 O GLY A 107 -13.764 -3.816 5.418 1.00 0.00 O ATOM 0 H GLY A 107 -13.616 -6.857 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.087 -6.580 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.634 -6.334 5.532 1.00 0.00 H new ATOM 1066 N VAL A 108 -12.211 -4.676 6.770 1.00 0.00 N ATOM 1067 CA VAL A 108 -11.561 -3.468 7.259 1.00 0.00 C ATOM 1068 C VAL A 108 -10.420 -3.223 6.281 1.00 0.00 C ATOM 1069 O VAL A 108 -9.803 -2.184 6.194 1.00 0.00 O ATOM 1070 CB VAL A 108 -11.094 -3.815 8.576 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -10.291 -2.706 9.246 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -12.373 -4.044 9.289 1.00 0.00 C ATOM 0 H VAL A 108 -11.800 -5.515 7.179 1.00 0.00 H new ATOM 0 HA VAL A 108 -12.179 -2.572 7.321 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.407 -4.661 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.971 -3.035 10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.416 -2.473 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.912 -1.815 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -12.169 -4.321 10.323 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -12.969 -3.132 9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -12.923 -4.848 8.800 1.00 0.00 H new ATOM 1082 N TYR A 109 -10.226 -4.295 5.587 1.00 0.00 N ATOM 1083 CA TYR A 109 -9.231 -4.478 4.526 1.00 0.00 C ATOM 1084 C TYR A 109 -9.599 -3.937 3.137 1.00 0.00 C ATOM 1085 O TYR A 109 -10.006 -2.811 3.005 1.00 0.00 O ATOM 1086 CB TYR A 109 -9.001 -6.054 4.743 1.00 0.00 C ATOM 1087 CG TYR A 109 -9.199 -7.070 3.597 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -10.414 -7.156 2.889 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -8.172 -7.914 3.252 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -10.552 -8.073 1.871 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -8.321 -8.824 2.235 1.00 0.00 C ATOM 1092 CZ TYR A 109 -9.509 -8.912 1.536 1.00 0.00 C ATOM 1093 OH TYR A 109 -9.656 -9.826 0.517 1.00 0.00 O ATOM 0 H TYR A 109 -10.784 -5.135 5.739 1.00 0.00 H new ATOM 0 HA TYR A 109 -8.318 -3.885 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.979 -6.177 5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -9.662 -6.360 5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -11.236 -6.504 3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.236 -7.861 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -11.485 -8.136 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.501 -9.478 1.979 1.00 0.00 H new ATOM 0 HH TYR A 109 -10.556 -9.751 0.137 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.428 -4.746 2.147 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.702 -4.499 0.712 1.00 0.00 C ATOM 1105 C ASN A 110 -11.128 -4.033 0.602 1.00 0.00 C ATOM 1106 O ASN A 110 -11.533 -3.445 -0.382 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.540 -5.801 -0.115 1.00 0.00 C ATOM 1108 CG ASN A 110 -9.534 -5.540 -1.635 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -10.444 -4.960 -2.194 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -8.525 -5.963 -2.345 1.00 0.00 N ATOM 0 H ASN A 110 -9.063 -5.686 2.300 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.001 -3.758 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.610 -6.294 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.352 -6.486 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.509 -5.805 -3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.752 -6.452 -1.893 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.870 -4.293 1.640 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.238 -3.933 1.579 1.00 0.00 C ATOM 1119 C GLU A 111 -13.523 -2.575 2.066 1.00 0.00 C ATOM 1120 O GLU A 111 -14.376 -1.844 1.611 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.916 -4.939 2.336 1.00 0.00 C ATOM 1122 CG GLU A 111 -15.075 -4.976 1.491 1.00 0.00 C ATOM 1123 CD GLU A 111 -16.259 -5.595 2.234 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -15.998 -6.164 3.283 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -17.356 -5.470 1.719 1.00 0.00 O ATOM 0 H GLU A 111 -11.558 -4.736 2.504 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.579 -3.894 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.379 -5.886 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.132 -4.643 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.329 -3.967 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.859 -5.554 0.593 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.780 -2.300 3.054 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.891 -1.013 3.658 1.00 0.00 C ATOM 1134 C GLN A 112 -12.492 -0.233 2.420 1.00 0.00 C ATOM 1135 O GLN A 112 -13.141 0.695 1.989 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.963 -1.243 4.700 1.00 0.00 C ATOM 1137 CG GLN A 112 -12.487 -0.386 5.765 1.00 0.00 C ATOM 1138 CD GLN A 112 -11.588 -0.081 6.956 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -10.439 0.290 6.828 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -12.103 -0.225 8.146 1.00 0.00 N ATOM 0 H GLN A 112 -12.092 -2.928 3.470 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.764 -0.531 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.933 -2.291 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.949 -0.964 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.776 0.564 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.398 -0.849 6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.069 -0.537 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.540 -0.026 8.973 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.392 -0.675 1.889 1.00 0.00 N ATOM 1150 CA PHE A 113 -10.784 -0.110 0.661 1.00 0.00 C ATOM 1151 C PHE A 113 -11.873 0.016 -0.388 1.00 0.00 C ATOM 1152 O PHE A 113 -11.917 0.927 -1.191 1.00 0.00 O ATOM 1153 CB PHE A 113 -9.809 -1.023 0.130 1.00 0.00 C ATOM 1154 CG PHE A 113 -8.315 -0.663 0.359 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -7.859 0.552 0.870 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -7.371 -1.606 0.013 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.509 0.790 1.020 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -6.025 -1.362 0.168 1.00 0.00 C ATOM 1159 CZ PHE A 113 -5.589 -0.166 0.670 1.00 0.00 C ATOM 0 H PHE A 113 -10.861 -1.452 2.283 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.322 0.848 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.992 -2.006 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.976 -1.112 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.571 1.314 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.694 -2.555 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.173 1.737 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.308 -2.120 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.532 0.023 0.789 1.00 0.00 H new ATOM 1169 N LYS A 114 -12.738 -0.957 -0.325 1.00 0.00 N ATOM 1170 CA LYS A 114 -13.848 -0.939 -1.334 1.00 0.00 C ATOM 1171 C LYS A 114 -14.717 0.284 -1.093 1.00 0.00 C ATOM 1172 O LYS A 114 -15.212 0.914 -2.006 1.00 0.00 O ATOM 1173 CB LYS A 114 -14.700 -2.215 -1.219 1.00 0.00 C ATOM 1174 CG LYS A 114 -15.745 -2.221 -2.333 1.00 0.00 C ATOM 1175 CD LYS A 114 -16.407 -3.605 -2.359 1.00 0.00 C ATOM 1176 CE LYS A 114 -17.451 -3.726 -1.248 1.00 0.00 C ATOM 1177 NZ LYS A 114 -17.966 -5.122 -1.236 1.00 0.00 N ATOM 0 H LYS A 114 -12.735 -1.729 0.342 1.00 0.00 H new ATOM 0 HA LYS A 114 -13.421 -0.899 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.066 -3.098 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.188 -2.255 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -16.491 -1.446 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.278 -2.004 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.879 -3.770 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.649 -4.379 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -17.009 -3.477 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.267 -3.023 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.965 -5.126 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.412 -5.702 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.881 -5.515 -0.277 1.00 0.00 H new ATOM 1191 N LYS A 115 -14.867 0.582 0.162 1.00 0.00 N ATOM 1192 CA LYS A 115 -15.645 1.682 0.633 1.00 0.00 C ATOM 1193 C LYS A 115 -14.979 2.995 0.239 1.00 0.00 C ATOM 1194 O LYS A 115 -15.684 3.957 0.012 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.754 1.457 2.123 1.00 0.00 C ATOM 1196 CG LYS A 115 -17.189 1.545 2.566 1.00 0.00 C ATOM 1197 CD LYS A 115 -17.807 2.936 2.382 1.00 0.00 C ATOM 1198 CE LYS A 115 -19.241 2.873 2.925 1.00 0.00 C ATOM 1199 NZ LYS A 115 -19.914 4.194 2.778 1.00 0.00 N ATOM 0 H LYS A 115 -14.434 0.044 0.912 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.642 1.746 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.347 0.479 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.157 2.199 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.778 0.819 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.253 1.265 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.226 3.688 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.807 3.221 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.805 2.109 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.226 2.581 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.883 4.133 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.384 4.915 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.945 4.458 1.772 1.00 0.00 H new ATOM 1213 N TRP A 116 -13.668 3.066 0.150 1.00 0.00 N ATOM 1214 CA TRP A 116 -13.190 4.428 -0.224 1.00 0.00 C ATOM 1215 C TRP A 116 -13.211 4.794 -1.671 1.00 0.00 C ATOM 1216 O TRP A 116 -12.793 4.096 -2.568 1.00 0.00 O ATOM 1217 CB TRP A 116 -11.822 4.714 0.117 1.00 0.00 C ATOM 1218 CG TRP A 116 -11.717 4.084 1.424 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -11.388 2.823 1.267 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.005 4.383 2.698 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -11.500 2.314 2.430 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -11.865 3.173 3.293 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -12.349 5.389 3.546 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -12.029 2.775 4.510 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -12.544 5.054 4.901 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -12.390 3.747 5.401 1.00 0.00 C ATOM 0 H TRP A 116 -12.979 2.329 0.301 1.00 0.00 H new ATOM 0 HA TRP A 116 -13.926 4.989 0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.122 4.289 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -11.624 5.785 0.160 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -11.089 2.327 0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -11.318 1.333 2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.468 6.404 3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -11.891 1.745 4.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -12.825 5.838 5.589 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.550 3.522 6.445 1.00 0.00 H new ATOM 1237 N ASP A 117 -13.738 5.961 -1.744 1.00 0.00 N ATOM 1238 CA ASP A 117 -13.982 6.740 -2.957 1.00 0.00 C ATOM 1239 C ASP A 117 -13.158 7.944 -3.245 1.00 0.00 C ATOM 1240 O ASP A 117 -12.128 8.249 -2.683 1.00 0.00 O ATOM 1241 CB ASP A 117 -15.424 7.092 -2.899 1.00 0.00 C ATOM 1242 CG ASP A 117 -15.861 7.704 -1.577 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -15.972 6.939 -0.632 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -16.058 8.905 -1.602 1.00 0.00 O ATOM 0 H ASP A 117 -14.042 6.457 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 117 -13.674 6.107 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -15.649 7.793 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -16.014 6.194 -3.084 1.00 0.00 H new ATOM 1249 N LEU A 118 -13.782 8.565 -4.189 1.00 0.00 N ATOM 1250 CA LEU A 118 -13.309 9.832 -4.786 1.00 0.00 C ATOM 1251 C LEU A 118 -13.563 11.049 -3.928 1.00 0.00 C ATOM 1252 O LEU A 118 -13.061 12.143 -4.100 1.00 0.00 O ATOM 1253 CB LEU A 118 -14.005 10.082 -6.005 1.00 0.00 C ATOM 1254 CG LEU A 118 -14.314 8.889 -6.926 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -13.225 7.816 -6.976 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -15.715 8.329 -6.673 1.00 0.00 C ATOM 0 H LEU A 118 -14.654 8.225 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.235 9.696 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.951 10.563 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.422 10.803 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 118 -14.310 9.293 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.532 7.017 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.296 8.257 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.070 7.408 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.897 7.488 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -15.791 7.993 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -16.456 9.106 -6.858 1.00 0.00 H new ATOM 1268 N GLY A 119 -14.377 10.703 -3.014 1.00 0.00 N ATOM 1269 CA GLY A 119 -14.887 11.631 -1.971 1.00 0.00 C ATOM 1270 C GLY A 119 -14.174 11.441 -0.658 1.00 0.00 C ATOM 1271 O GLY A 119 -13.906 12.409 0.021 1.00 0.00 O ATOM 0 H GLY A 119 -14.743 9.755 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.762 12.660 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.956 11.469 -1.831 1.00 0.00 H new ATOM 1275 N ASP A 120 -13.863 10.233 -0.290 1.00 0.00 N ATOM 1276 CA ASP A 120 -13.221 9.956 0.879 1.00 0.00 C ATOM 1277 C ASP A 120 -11.807 10.036 0.501 1.00 0.00 C ATOM 1278 O ASP A 120 -11.435 9.997 -0.655 1.00 0.00 O ATOM 1279 CB ASP A 120 -13.645 8.617 1.227 1.00 0.00 C ATOM 1280 CG ASP A 120 -15.050 8.488 1.824 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -15.973 9.006 1.221 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -15.112 7.861 2.869 1.00 0.00 O ATOM 0 H ASP A 120 -14.076 9.406 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 120 -13.416 10.606 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.595 7.998 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.930 8.205 1.940 1.00 0.00 H new ATOM 1287 N ILE A 121 -11.072 10.152 1.540 1.00 0.00 N ATOM 1288 CA ILE A 121 -9.615 10.236 1.303 1.00 0.00 C ATOM 1289 C ILE A 121 -8.849 9.236 2.122 1.00 0.00 C ATOM 1290 O ILE A 121 -9.199 8.913 3.235 1.00 0.00 O ATOM 1291 CB ILE A 121 -9.190 11.678 1.608 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -9.532 12.619 0.427 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -7.697 11.771 1.962 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -8.799 12.217 -0.869 1.00 0.00 C ATOM 0 H ILE A 121 -11.387 10.192 2.509 1.00 0.00 H new ATOM 0 HA ILE A 121 -9.387 9.986 0.267 1.00 0.00 H new ATOM 0 HB ILE A 121 -9.755 12.003 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.608 12.605 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.265 13.642 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.437 12.809 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -7.493 11.161 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.101 11.409 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.070 12.906 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -7.722 12.257 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.086 11.204 -1.150 1.00 0.00 H new ATOM 1306 N LEU A 122 -7.813 8.727 1.526 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.008 7.745 2.297 1.00 0.00 C ATOM 1308 C LEU A 122 -5.632 8.296 2.524 1.00 0.00 C ATOM 1309 O LEU A 122 -5.242 9.296 1.956 1.00 0.00 O ATOM 1310 CB LEU A 122 -6.776 6.432 1.566 1.00 0.00 C ATOM 1311 CG LEU A 122 -7.997 5.622 1.293 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -8.965 6.514 0.697 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -7.624 4.573 0.260 1.00 0.00 C ATOM 0 H LEU A 122 -7.497 8.935 0.579 1.00 0.00 H new ATOM 0 HA LEU A 122 -7.577 7.567 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.285 6.647 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.085 5.827 2.153 1.00 0.00 H new ATOM 0 HG LEU A 122 -8.389 5.155 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.880 5.964 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.186 7.326 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -8.560 6.926 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.496 3.959 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -7.281 5.065 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.827 3.942 0.654 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.007 7.539 3.371 1.00 0.00 N ATOM 1326 CA GLY A 123 -3.621 7.725 3.859 1.00 0.00 C ATOM 1327 C GLY A 123 -3.501 6.263 4.213 1.00 0.00 C ATOM 1328 O GLY A 123 -4.250 5.833 5.059 1.00 0.00 O ATOM 0 H GLY A 123 -5.452 6.718 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.917 8.065 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.528 8.404 4.707 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.652 5.465 3.645 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.735 4.059 4.156 1.00 0.00 C ATOM 1334 C ALA A 124 -1.362 3.661 4.149 1.00 0.00 C ATOM 1335 O ALA A 124 -0.568 4.481 3.803 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.418 3.300 3.213 1.00 0.00 C ATOM 0 H ALA A 124 -1.966 5.681 2.922 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.229 3.952 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.493 2.270 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.418 3.709 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.879 3.325 2.266 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.067 2.467 4.509 1.00 0.00 N ATOM 1343 CA LYS A 125 0.363 2.167 4.453 1.00 0.00 C ATOM 1344 C LYS A 125 0.571 0.748 4.138 1.00 0.00 C ATOM 1345 O LYS A 125 -0.222 -0.107 4.473 1.00 0.00 O ATOM 1346 CB LYS A 125 0.982 2.509 5.778 1.00 0.00 C ATOM 1347 CG LYS A 125 1.480 1.248 6.436 1.00 0.00 C ATOM 1348 CD LYS A 125 1.990 1.603 7.830 1.00 0.00 C ATOM 1349 CE LYS A 125 2.462 0.328 8.521 1.00 0.00 C ATOM 1350 NZ LYS A 125 2.904 0.656 9.904 1.00 0.00 N ATOM 0 H LYS A 125 -1.701 1.731 4.819 1.00 0.00 H new ATOM 0 HA LYS A 125 0.834 2.760 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.806 3.209 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.250 3.002 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.679 0.512 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.277 0.800 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.808 2.320 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.199 2.077 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.656 -0.405 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.282 -0.121 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.000 -0.221 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.821 1.145 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.200 1.273 10.356 1.00 0.00 H new ATOM 1364 N GLY A 126 1.664 0.557 3.472 1.00 0.00 N ATOM 1365 CA GLY A 126 1.969 -0.838 3.118 1.00 0.00 C ATOM 1366 C GLY A 126 3.445 -0.849 2.889 1.00 0.00 C ATOM 1367 O GLY A 126 3.999 0.160 2.505 1.00 0.00 O ATOM 0 H GLY A 126 2.329 1.269 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.686 -1.522 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.426 -1.149 2.226 1.00 0.00 H new ATOM 1371 N LYS A 127 4.105 -1.943 3.078 1.00 0.00 N ATOM 1372 CA LYS A 127 5.530 -1.754 2.809 1.00 0.00 C ATOM 1373 C LYS A 127 5.800 -2.020 1.386 1.00 0.00 C ATOM 1374 O LYS A 127 4.932 -2.434 0.642 1.00 0.00 O ATOM 1375 CB LYS A 127 6.310 -2.668 3.662 1.00 0.00 C ATOM 1376 CG LYS A 127 6.686 -3.936 2.968 1.00 0.00 C ATOM 1377 CD LYS A 127 7.274 -4.808 4.054 1.00 0.00 C ATOM 1378 CE LYS A 127 7.988 -5.994 3.446 1.00 0.00 C ATOM 1379 NZ LYS A 127 8.618 -6.754 4.558 1.00 0.00 N ATOM 0 H LYS A 127 3.768 -2.859 3.373 1.00 0.00 H new ATOM 0 HA LYS A 127 5.819 -0.727 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.215 -2.161 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.731 -2.907 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.818 -4.408 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.408 -3.753 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.970 -4.227 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.484 -5.153 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.287 -6.625 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.742 -5.663 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.120 -7.580 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.293 -6.141 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.883 -7.073 5.221 1.00 0.00 H new ATOM 1393 N LEU A 128 7.021 -1.765 1.047 1.00 0.00 N ATOM 1394 CA LEU A 128 7.326 -2.008 -0.375 1.00 0.00 C ATOM 1395 C LEU A 128 7.874 -3.405 -0.478 1.00 0.00 C ATOM 1396 O LEU A 128 8.715 -3.852 0.277 1.00 0.00 O ATOM 1397 CB LEU A 128 8.279 -0.888 -0.785 1.00 0.00 C ATOM 1398 CG LEU A 128 9.599 -1.358 -1.316 1.00 0.00 C ATOM 1399 CD1 LEU A 128 9.644 -1.824 -2.685 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.557 -0.228 -1.258 1.00 0.00 C ATOM 0 H LEU A 128 7.774 -1.423 1.643 1.00 0.00 H new ATOM 0 HA LEU A 128 6.476 -1.975 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.794 -0.275 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.457 -0.245 0.077 1.00 0.00 H new ATOM 0 HG LEU A 128 9.831 -2.217 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.660 -2.132 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.969 -2.672 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.336 -1.020 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.525 -0.552 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.184 0.597 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.668 0.103 -0.225 1.00 0.00 H new ATOM 1412 N PHE A 129 7.326 -4.040 -1.458 1.00 0.00 N ATOM 1413 CA PHE A 129 7.699 -5.435 -1.753 1.00 0.00 C ATOM 1414 C PHE A 129 7.573 -5.677 -3.242 1.00 0.00 C ATOM 1415 O PHE A 129 7.007 -4.887 -3.990 1.00 0.00 O ATOM 1416 CB PHE A 129 6.786 -6.443 -0.984 1.00 0.00 C ATOM 1417 CG PHE A 129 5.430 -6.673 -1.657 1.00 0.00 C ATOM 1418 CD1 PHE A 129 4.569 -5.618 -1.792 1.00 0.00 C ATOM 1419 CD2 PHE A 129 5.051 -7.927 -2.132 1.00 0.00 C ATOM 1420 CE1 PHE A 129 3.350 -5.807 -2.398 1.00 0.00 C ATOM 1421 CE2 PHE A 129 3.803 -8.102 -2.737 1.00 0.00 C ATOM 1422 CZ PHE A 129 2.965 -7.034 -2.867 1.00 0.00 C ATOM 0 H PHE A 129 6.621 -3.644 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 129 8.727 -5.593 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 129 7.305 -7.397 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 129 6.623 -6.074 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.846 -4.641 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 129 5.723 -8.766 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 129 2.680 -4.967 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.505 -9.075 -3.099 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.001 -7.156 -3.338 1.00 0.00 H new ATOM 1511 N GLU A 135 11.314 -4.934 -5.783 1.00 0.00 N ATOM 1512 CA GLU A 135 11.029 -3.560 -5.339 1.00 0.00 C ATOM 1513 C GLU A 135 9.513 -3.436 -5.456 1.00 0.00 C ATOM 1514 O GLU A 135 8.782 -4.374 -5.671 1.00 0.00 O ATOM 1515 CB GLU A 135 11.693 -2.633 -6.285 1.00 0.00 C ATOM 1516 CG GLU A 135 12.228 -1.376 -5.567 1.00 0.00 C ATOM 1517 CD GLU A 135 12.541 -0.319 -6.626 1.00 0.00 C ATOM 1518 OE1 GLU A 135 11.560 0.218 -7.115 1.00 0.00 O ATOM 1519 OE2 GLU A 135 13.714 -0.112 -6.890 1.00 0.00 O ATOM 0 HA GLU A 135 11.378 -3.335 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.516 -3.147 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.987 -2.337 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.489 -0.999 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.123 -1.617 -4.994 1.00 0.00 H new ATOM 1526 N LEU A 136 9.157 -2.208 -5.314 1.00 0.00 N ATOM 1527 CA LEU A 136 7.863 -1.603 -5.327 1.00 0.00 C ATOM 1528 C LEU A 136 6.492 -1.866 -5.993 1.00 0.00 C ATOM 1529 O LEU A 136 6.198 -1.601 -7.139 1.00 0.00 O ATOM 1530 CB LEU A 136 8.333 -0.190 -5.521 1.00 0.00 C ATOM 1531 CG LEU A 136 7.250 0.714 -5.320 1.00 0.00 C ATOM 1532 CD1 LEU A 136 6.622 0.572 -3.936 1.00 0.00 C ATOM 1533 CD2 LEU A 136 7.902 2.061 -5.448 1.00 0.00 C ATOM 0 H LEU A 136 9.873 -1.497 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 136 7.367 -2.121 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 136 9.139 0.033 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.739 -0.067 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 136 6.438 0.538 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.802 1.283 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.241 -0.442 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.374 0.773 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.154 2.842 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.678 2.163 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.348 2.157 -6.438 1.00 0.00 H new ATOM 1545 N SER A 137 5.739 -2.442 -5.111 1.00 0.00 N ATOM 1546 CA SER A 137 4.327 -2.840 -5.256 1.00 0.00 C ATOM 1547 C SER A 137 3.980 -2.655 -3.788 1.00 0.00 C ATOM 1548 O SER A 137 4.823 -2.936 -2.960 1.00 0.00 O ATOM 1549 CB SER A 137 4.241 -4.255 -5.758 1.00 0.00 C ATOM 1550 OG SER A 137 3.132 -4.865 -5.112 1.00 0.00 O ATOM 0 H SER A 137 6.101 -2.676 -4.187 1.00 0.00 H new ATOM 0 HA SER A 137 3.681 -2.312 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.112 -4.272 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.160 -4.798 -5.538 1.00 0.00 H new ATOM 0 HG SER A 137 3.454 -5.476 -4.417 1.00 0.00 H new ATOM 1556 N ILE A 138 2.806 -2.213 -3.427 1.00 0.00 N ATOM 1557 CA ILE A 138 2.614 -2.064 -1.950 1.00 0.00 C ATOM 1558 C ILE A 138 1.893 -3.197 -1.301 1.00 0.00 C ATOM 1559 O ILE A 138 1.041 -3.816 -1.884 1.00 0.00 O ATOM 1560 CB ILE A 138 1.877 -0.739 -1.698 1.00 0.00 C ATOM 1561 CG1 ILE A 138 2.971 0.311 -1.659 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.206 -0.763 -0.317 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.330 1.689 -1.682 1.00 0.00 C ATOM 0 H ILE A 138 2.024 -1.964 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 138 3.603 -2.067 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 138 1.116 -0.554 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.577 0.192 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.639 0.191 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.687 0.180 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.490 -1.584 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.964 -0.902 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 138 3.107 2.452 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.743 1.802 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.679 1.802 -0.815 1.00 0.00 H new ATOM 1575 N HIS A 139 2.278 -3.434 -0.085 1.00 0.00 N ATOM 1576 CA HIS A 139 1.662 -4.530 0.700 1.00 0.00 C ATOM 1577 C HIS A 139 1.086 -3.878 1.945 1.00 0.00 C ATOM 1578 O HIS A 139 1.709 -3.775 2.983 1.00 0.00 O ATOM 1579 CB HIS A 139 2.748 -5.573 1.027 1.00 0.00 C ATOM 1580 CG HIS A 139 2.132 -6.726 1.833 1.00 0.00 C ATOM 1581 ND1 HIS A 139 2.665 -7.898 1.945 1.00 0.00 N ATOM 1582 CD2 HIS A 139 0.958 -6.820 2.571 1.00 0.00 C ATOM 1583 CE1 HIS A 139 1.908 -8.658 2.671 1.00 0.00 C ATOM 1584 NE2 HIS A 139 0.844 -8.028 3.081 1.00 0.00 N ATOM 0 H HIS A 139 3.002 -2.909 0.405 1.00 0.00 H new ATOM 0 HA HIS A 139 0.871 -5.055 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 139 3.188 -5.955 0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 139 3.553 -5.108 1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 139 3.550 -8.182 1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.245 -6.020 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 139 2.132 -9.688 2.907 1.00 0.00 H new ATOM 1592 N CYS A 140 -0.124 -3.447 1.715 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.962 -2.763 2.733 1.00 0.00 C ATOM 1594 C CYS A 140 -1.245 -3.553 4.012 1.00 0.00 C ATOM 1595 O CYS A 140 -1.798 -4.645 4.014 1.00 0.00 O ATOM 1596 CB CYS A 140 -2.284 -2.382 2.072 1.00 0.00 C ATOM 1597 SG CYS A 140 -3.470 -1.475 3.092 1.00 0.00 S ATOM 0 H CYS A 140 -0.586 -3.549 0.811 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.385 -1.901 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -2.063 -1.780 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.765 -3.295 1.722 1.00 0.00 H new ATOM 0 HG CYS A 140 -4.317 -0.855 2.325 1.00 0.00 H new ATOM 1603 N THR A 141 -0.819 -2.885 5.052 1.00 0.00 N ATOM 1604 CA THR A 141 -0.936 -3.360 6.448 1.00 0.00 C ATOM 1605 C THR A 141 -1.640 -2.322 7.355 1.00 0.00 C ATOM 1606 O THR A 141 -2.184 -2.692 8.376 1.00 0.00 O ATOM 1607 CB THR A 141 0.456 -3.662 6.946 1.00 0.00 C ATOM 1608 OG1 THR A 141 1.247 -2.540 6.574 1.00 0.00 O ATOM 1609 CG2 THR A 141 0.987 -4.849 6.159 1.00 0.00 C ATOM 0 H THR A 141 -0.368 -1.973 4.974 1.00 0.00 H new ATOM 0 HA THR A 141 -1.555 -4.256 6.479 1.00 0.00 H new ATOM 0 HB THR A 141 0.472 -3.863 8.017 1.00 0.00 H new ATOM 0 HG1 THR A 141 2.170 -2.677 6.874 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.994 -5.090 6.499 1.00 0.00 H new ATOM 0 HG22 THR A 141 0.336 -5.709 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 141 1.012 -4.600 5.098 1.00 0.00 H new ATOM 1617 N GLU A 142 -1.623 -1.057 6.987 1.00 0.00 N ATOM 1618 CA GLU A 142 -2.293 -0.031 7.842 1.00 0.00 C ATOM 1619 C GLU A 142 -3.335 0.621 6.950 1.00 0.00 C ATOM 1620 O GLU A 142 -3.163 0.663 5.749 1.00 0.00 O ATOM 1621 CB GLU A 142 -1.265 0.991 8.290 1.00 0.00 C ATOM 1622 CG GLU A 142 -1.897 2.034 9.212 1.00 0.00 C ATOM 1623 CD GLU A 142 -2.316 1.401 10.538 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -1.594 0.523 10.979 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -3.338 1.851 11.029 1.00 0.00 O ATOM 0 H GLU A 142 -1.179 -0.699 6.141 1.00 0.00 H new ATOM 0 HA GLU A 142 -2.747 -0.461 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -0.449 0.488 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -0.833 1.484 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -1.188 2.841 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.765 2.478 8.725 1.00 0.00 H new ATOM 1632 N LEU A 143 -4.386 1.111 7.546 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.453 1.757 6.730 1.00 0.00 C ATOM 1634 C LEU A 143 -6.048 3.047 7.319 1.00 0.00 C ATOM 1635 O LEU A 143 -6.877 2.968 8.203 1.00 0.00 O ATOM 1636 CB LEU A 143 -6.538 0.695 6.529 1.00 0.00 C ATOM 1637 CG LEU A 143 -6.043 -0.445 5.591 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -7.097 -1.529 5.507 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -5.844 0.060 4.159 1.00 0.00 C ATOM 0 H LEU A 143 -4.552 1.093 8.552 1.00 0.00 H new ATOM 0 HA LEU A 143 -5.008 2.094 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -6.825 0.277 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -7.429 1.158 6.105 1.00 0.00 H new ATOM 0 HG LEU A 143 -5.103 -0.813 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.748 -2.326 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -7.282 -1.934 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -8.020 -1.109 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.498 -0.759 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.790 0.441 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -5.102 0.859 4.155 1.00 0.00 H new ATOM 1651 N ARG A 144 -5.628 4.190 6.831 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.191 5.465 7.377 1.00 0.00 C ATOM 1653 C ARG A 144 -6.954 6.093 6.239 1.00 0.00 C ATOM 1654 O ARG A 144 -6.588 7.081 5.635 1.00 0.00 O ATOM 1655 CB ARG A 144 -5.114 6.477 7.842 1.00 0.00 C ATOM 1656 CG ARG A 144 -4.570 6.062 9.203 1.00 0.00 C ATOM 1657 CD ARG A 144 -3.571 4.923 9.062 1.00 0.00 C ATOM 1658 NE ARG A 144 -2.443 5.417 8.224 1.00 0.00 N ATOM 1659 CZ ARG A 144 -1.293 5.696 8.778 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -1.246 6.001 10.046 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -0.225 5.661 8.035 1.00 0.00 N ATOM 0 H ARG A 144 -4.933 4.295 6.092 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.795 5.232 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -4.304 6.520 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.543 7.477 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.090 6.915 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.392 5.753 9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.211 4.606 10.041 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.041 4.056 8.599 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.568 5.537 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.104 6.020 10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -0.352 6.220 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -0.299 5.420 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 144 0.686 5.874 8.441 1.00 0.00 H new ATOM 1675 N LEU A 145 -8.035 5.418 6.019 1.00 0.00 N ATOM 1676 CA LEU A 145 -9.017 5.739 4.985 1.00 0.00 C ATOM 1677 C LEU A 145 -10.061 6.391 5.908 1.00 0.00 C ATOM 1678 O LEU A 145 -10.283 5.805 6.949 1.00 0.00 O ATOM 1679 CB LEU A 145 -9.409 4.408 4.469 1.00 0.00 C ATOM 1680 CG LEU A 145 -8.350 3.260 4.461 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -9.112 1.937 4.415 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -7.588 3.251 3.188 1.00 0.00 C ATOM 0 H LEU A 145 -8.286 4.593 6.565 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.773 6.362 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.262 4.065 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -9.758 4.541 3.445 1.00 0.00 H new ATOM 0 HG LEU A 145 -7.700 3.394 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.403 1.109 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -9.755 1.857 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.722 1.900 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.857 2.443 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.274 3.100 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -7.072 4.204 3.066 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.689 7.511 5.599 1.00 0.00 N ATOM 1695 CA LEU A 146 -11.656 8.039 6.577 1.00 0.00 C ATOM 1696 C LEU A 146 -13.146 8.228 6.283 1.00 0.00 C ATOM 1697 O LEU A 146 -14.025 7.395 6.357 1.00 0.00 O ATOM 1698 CB LEU A 146 -11.056 9.378 7.021 1.00 0.00 C ATOM 1699 CG LEU A 146 -10.410 10.216 5.828 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -8.919 9.911 5.712 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -11.174 10.243 4.409 1.00 0.00 C ATOM 0 H LEU A 146 -10.569 8.051 4.742 1.00 0.00 H new ATOM 0 HA LEU A 146 -11.750 7.227 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -11.835 9.976 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -10.294 9.192 7.777 1.00 0.00 H new ATOM 0 HG LEU A 146 -10.553 11.253 6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -8.492 10.490 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -8.420 10.177 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -8.779 8.848 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -10.610 10.854 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -11.259 9.227 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -12.170 10.666 4.540 1.00 0.00 H new ATOM 1713 N THR A 147 -13.293 9.458 5.966 1.00 0.00 N ATOM 1714 CA THR A 147 -14.595 10.094 5.627 1.00 0.00 C ATOM 1715 C THR A 147 -14.629 10.535 4.193 1.00 0.00 C ATOM 1716 O THR A 147 -13.708 10.243 3.467 1.00 0.00 O ATOM 1717 CB THR A 147 -14.780 11.254 6.593 1.00 0.00 C ATOM 1718 OG1 THR A 147 -16.132 11.661 6.464 1.00 0.00 O ATOM 1719 CG2 THR A 147 -13.973 12.486 6.168 1.00 0.00 C ATOM 0 H THR A 147 -12.509 10.108 5.922 1.00 0.00 H new ATOM 0 HA THR A 147 -15.417 9.386 5.731 1.00 0.00 H new ATOM 0 HB THR A 147 -14.477 10.929 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 147 -16.307 12.411 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 147 -14.134 13.291 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 147 -12.913 12.234 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 147 -14.298 12.810 5.179 1.00 0.00 H new ATOM 1727 N LYS A 148 -15.690 11.221 3.876 1.00 0.00 N ATOM 1728 CA LYS A 148 -15.967 11.784 2.537 1.00 0.00 C ATOM 1729 C LYS A 148 -15.387 13.206 2.533 1.00 0.00 C ATOM 1730 O LYS A 148 -16.074 14.204 2.447 1.00 0.00 O ATOM 1731 CB LYS A 148 -17.481 11.708 2.402 1.00 0.00 C ATOM 1732 CG LYS A 148 -18.203 12.678 3.354 1.00 0.00 C ATOM 1733 CD LYS A 148 -19.684 12.343 3.379 1.00 0.00 C ATOM 1734 CE LYS A 148 -20.322 13.253 4.415 1.00 0.00 C ATOM 1735 NZ LYS A 148 -21.795 13.049 4.439 1.00 0.00 N ATOM 0 H LYS A 148 -16.428 11.424 4.551 1.00 0.00 H new ATOM 0 HA LYS A 148 -15.519 11.268 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -17.763 11.934 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -17.811 10.689 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -17.784 12.602 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -18.056 13.707 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -20.133 12.500 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -19.839 11.295 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -19.903 13.046 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -20.095 14.294 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -22.221 13.676 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -22.191 13.269 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -22.005 12.059 4.680 1.00 0.00 H new ATOM 1749 N ALA A 149 -14.087 13.246 2.632 1.00 0.00 N ATOM 1750 CA ALA A 149 -13.366 14.549 2.650 1.00 0.00 C ATOM 1751 C ALA A 149 -13.733 15.515 1.508 1.00 0.00 C ATOM 1752 O ALA A 149 -14.279 15.056 0.521 1.00 0.00 O ATOM 1753 CB ALA A 149 -11.898 14.213 2.616 1.00 0.00 C ATOM 1754 OXT ALA A 149 -13.428 16.680 1.700 1.00 0.00 O ATOM 0 H ALA A 149 -13.488 12.423 2.702 1.00 0.00 H new ATOM 0 HA ALA A 149 -13.658 15.094 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -11.314 15.133 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -11.642 13.610 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -11.674 13.652 1.709 1.00 0.00 H new