USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 22 LYS NZ :NH3+ -159:sc= 0.128 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -2! C(o=-1.9!,f=-4.3!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.32) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 GLN : amide:sc= 0 K(o=0,f=0.57) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 18 GLN : amide:sc= -0.632 K(o=-9.8,f=-6.6) USER MOD Set 4.3: A 106 GLN : amide:sc= -9.18! C(o=-9.8!,f=-6.6!) USER MOD Single : A 6 SER OG : rot -32:sc= 0.472 USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-0.98) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 167:sc= -0.0264 (180deg=-0.414) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -157:sc= -1.32 (180deg=-2.28) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0137) USER MOD Single : A 55 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.043) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -6.94! C(o=-6.9!,f=-5.8!) USER MOD Single : A 73 ASN : amide:sc= -0.0715 K(o=-0.071,f=-1.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.73 K(o=-4.7,f=-7.4!) USER MOD Single : A 79 CYS SG : rot -126:sc= 0.529 USER MOD Single : A 81 LYS NZ :NH3+ 132:sc= -0.28 (180deg=-1.72!) USER MOD Single : A 82 TYR OH : rot 40:sc= 0.00545 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -71:sc= -0.0688 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -137:sc= -0.907 (180deg=-2.88!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 0.042 19.912 1.778 1.00 0.00 N ATOM 49 CA SER A 6 0.267 19.214 3.038 1.00 0.00 C ATOM 50 C SER A 6 -0.941 18.360 3.409 1.00 0.00 C ATOM 51 O SER A 6 -0.825 17.150 3.602 1.00 0.00 O ATOM 52 CB SER A 6 0.558 20.218 4.155 1.00 0.00 C ATOM 53 OG SER A 6 -0.171 21.418 3.967 1.00 0.00 O ATOM 0 HA SER A 6 1.129 18.558 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.299 19.779 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.625 20.438 4.181 1.00 0.00 H new ATOM 0 HG SER A 6 -0.279 21.589 3.008 1.00 0.00 H new ATOM 59 N GLY A 7 -2.103 18.999 3.506 1.00 0.00 N ATOM 60 CA GLY A 7 -3.317 18.283 3.853 1.00 0.00 C ATOM 61 C GLY A 7 -3.403 16.928 3.180 1.00 0.00 C ATOM 62 O GLY A 7 -3.870 15.958 3.778 1.00 0.00 O ATOM 0 H GLY A 7 -2.225 20.000 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.361 18.152 4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.182 18.882 3.569 1.00 0.00 H new ATOM 66 N PHE A 8 -2.954 16.860 1.931 1.00 0.00 N ATOM 67 CA PHE A 8 -2.985 15.613 1.175 1.00 0.00 C ATOM 68 C PHE A 8 -2.059 14.574 1.801 1.00 0.00 C ATOM 69 O PHE A 8 -2.402 13.394 1.890 1.00 0.00 O ATOM 70 CB PHE A 8 -2.579 15.864 -0.279 1.00 0.00 C ATOM 71 CG PHE A 8 -2.316 14.604 -1.053 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.363 13.894 -1.622 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.024 14.130 -1.215 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.124 12.734 -2.334 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.780 12.971 -1.926 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.830 12.272 -2.488 1.00 0.00 C ATOM 0 H PHE A 8 -2.565 17.653 1.421 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.004 15.227 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.368 16.428 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.683 16.485 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.376 14.252 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.198 14.673 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.948 12.188 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.232 12.612 -2.042 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.641 11.367 -3.046 1.00 0.00 H new ATOM 86 N LEU A 9 -0.885 15.020 2.233 1.00 0.00 N ATOM 87 CA LEU A 9 0.091 14.130 2.852 1.00 0.00 C ATOM 88 C LEU A 9 -0.518 13.396 4.042 1.00 0.00 C ATOM 89 O LEU A 9 -0.192 12.237 4.302 1.00 0.00 O ATOM 90 CB LEU A 9 1.321 14.922 3.300 1.00 0.00 C ATOM 91 CG LEU A 9 2.020 15.746 2.219 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.143 16.576 2.823 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.556 14.839 1.121 1.00 0.00 C ATOM 0 H LEU A 9 -0.586 15.993 2.166 1.00 0.00 H new ATOM 0 HA LEU A 9 0.393 13.391 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.022 15.594 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.044 14.224 3.721 1.00 0.00 H new ATOM 0 HG LEU A 9 1.291 16.425 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.629 17.156 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.733 17.252 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.873 15.915 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.051 15.442 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.271 14.135 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.731 14.289 0.668 1.00 0.00 H new ATOM 105 N ILE A 10 -1.403 14.077 4.761 1.00 0.00 N ATOM 106 CA ILE A 10 -2.060 13.490 5.922 1.00 0.00 C ATOM 107 C ILE A 10 -3.030 12.389 5.505 1.00 0.00 C ATOM 108 O ILE A 10 -3.047 11.306 6.091 1.00 0.00 O ATOM 109 CB ILE A 10 -2.823 14.551 6.735 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.846 15.557 7.347 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.657 13.887 7.820 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.311 16.563 6.350 1.00 0.00 C ATOM 0 H ILE A 10 -1.682 15.037 4.560 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.275 13.063 6.546 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.494 15.088 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.345 16.090 8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.010 15.016 7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.191 14.650 8.387 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.375 13.207 7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.004 13.328 8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.625 17.244 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.783 16.040 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.139 17.130 5.925 1.00 0.00 H new ATOM 124 N LEU A 11 -3.836 12.673 4.487 1.00 0.00 N ATOM 125 CA LEU A 11 -4.809 11.707 3.990 1.00 0.00 C ATOM 126 C LEU A 11 -4.141 10.370 3.684 1.00 0.00 C ATOM 127 O LEU A 11 -4.751 9.310 3.837 1.00 0.00 O ATOM 128 CB LEU A 11 -5.496 12.246 2.735 1.00 0.00 C ATOM 129 CG LEU A 11 -6.454 11.285 2.027 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.668 11.004 2.900 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.881 11.852 0.682 1.00 0.00 C ATOM 0 H LEU A 11 -3.835 13.564 3.990 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.557 11.549 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.050 13.145 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.726 12.548 2.025 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.932 10.344 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.339 10.319 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.345 10.554 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.192 11.937 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.562 11.155 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.385 12.806 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.002 12.001 0.055 1.00 0.00 H new ATOM 143 N LEU A 12 -2.886 10.426 3.254 1.00 0.00 N ATOM 144 CA LEU A 12 -2.134 9.219 2.929 1.00 0.00 C ATOM 145 C LEU A 12 -1.689 8.497 4.197 1.00 0.00 C ATOM 146 O LEU A 12 -1.898 7.293 4.343 1.00 0.00 O ATOM 147 CB LEU A 12 -0.916 9.569 2.072 1.00 0.00 C ATOM 148 CG LEU A 12 -1.173 9.734 0.574 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.406 10.592 0.336 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.042 10.340 -0.112 1.00 0.00 C ATOM 0 H LEU A 12 -2.367 11.294 3.122 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.788 8.553 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.485 10.496 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.166 8.790 2.208 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.353 8.748 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.574 10.699 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.274 10.117 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.255 11.576 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.159 10.450 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.254 11.318 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.903 9.687 0.029 1.00 0.00 H new ATOM 162 N ARG A 13 -1.075 9.242 5.111 1.00 0.00 N ATOM 163 CA ARG A 13 -0.601 8.672 6.366 1.00 0.00 C ATOM 164 C ARG A 13 -1.759 8.091 7.172 1.00 0.00 C ATOM 165 O ARG A 13 -1.614 7.068 7.839 1.00 0.00 O ATOM 166 CB ARG A 13 0.124 9.737 7.192 1.00 0.00 C ATOM 167 CG ARG A 13 1.275 10.401 6.453 1.00 0.00 C ATOM 168 CD ARG A 13 1.779 11.629 7.196 1.00 0.00 C ATOM 169 NE ARG A 13 2.524 11.274 8.400 1.00 0.00 N ATOM 170 CZ ARG A 13 2.767 12.123 9.391 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.324 13.371 9.324 1.00 0.00 N ATOM 172 NH2 ARG A 13 3.453 11.724 10.455 1.00 0.00 N ATOM 0 H ARG A 13 -0.895 10.240 5.006 1.00 0.00 H new ATOM 0 HA ARG A 13 0.095 7.867 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.592 10.501 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.505 9.280 8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.090 9.688 6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.950 10.687 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.417 12.216 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.933 12.261 7.467 1.00 0.00 H new ATOM 0 HE ARG A 13 2.877 10.321 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.795 13.681 8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.513 14.021 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.794 10.764 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.639 12.377 11.216 1.00 0.00 H new ATOM 186 N LYS A 14 -2.911 8.751 7.104 1.00 0.00 N ATOM 187 CA LYS A 14 -4.095 8.301 7.825 1.00 0.00 C ATOM 188 C LYS A 14 -4.749 7.121 7.114 1.00 0.00 C ATOM 189 O LYS A 14 -5.282 6.215 7.755 1.00 0.00 O ATOM 190 CB LYS A 14 -5.100 9.448 7.963 1.00 0.00 C ATOM 191 CG LYS A 14 -6.067 9.551 6.796 1.00 0.00 C ATOM 192 CD LYS A 14 -7.298 8.686 7.014 1.00 0.00 C ATOM 193 CE LYS A 14 -8.300 9.365 7.936 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.659 8.769 7.813 1.00 0.00 N ATOM 0 H LYS A 14 -3.049 9.600 6.556 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.784 7.977 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.668 9.314 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.556 10.388 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.370 10.590 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.565 9.246 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.770 8.475 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.000 7.728 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.959 9.281 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.347 10.428 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.312 9.259 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.996 8.871 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.619 7.760 8.062 1.00 0.00 H new ATOM 208 N THR A 15 -4.703 7.136 5.785 1.00 0.00 N ATOM 209 CA THR A 15 -5.290 6.067 4.988 1.00 0.00 C ATOM 210 C THR A 15 -4.469 4.786 5.096 1.00 0.00 C ATOM 211 O THR A 15 -5.020 3.689 5.183 1.00 0.00 O ATOM 212 CB THR A 15 -5.402 6.468 3.506 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.424 7.457 3.342 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.716 5.258 2.639 1.00 0.00 C ATOM 0 H THR A 15 -4.265 7.877 5.238 1.00 0.00 H new ATOM 0 HA THR A 15 -6.289 5.889 5.385 1.00 0.00 H new ATOM 0 HB THR A 15 -4.444 6.881 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.059 8.342 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.790 5.567 1.596 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.921 4.520 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.662 4.819 2.956 1.00 0.00 H new ATOM 222 N LEU A 16 -3.149 4.934 5.089 1.00 0.00 N ATOM 223 CA LEU A 16 -2.251 3.788 5.188 1.00 0.00 C ATOM 224 C LEU A 16 -2.556 2.961 6.433 1.00 0.00 C ATOM 225 O LEU A 16 -2.541 1.731 6.391 1.00 0.00 O ATOM 226 CB LEU A 16 -0.796 4.257 5.218 1.00 0.00 C ATOM 227 CG LEU A 16 0.221 3.256 5.769 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.545 2.196 4.729 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.487 3.972 6.216 1.00 0.00 C ATOM 0 H LEU A 16 -2.677 5.835 5.016 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.407 3.160 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.500 4.524 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.741 5.167 5.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.218 2.762 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.270 1.493 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.366 1.661 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.963 2.672 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.199 3.244 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.929 4.494 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.241 4.692 6.997 1.00 0.00 H new ATOM 241 N GLU A 17 -2.837 3.646 7.537 1.00 0.00 N ATOM 242 CA GLU A 17 -3.149 2.973 8.793 1.00 0.00 C ATOM 243 C GLU A 17 -4.433 2.158 8.670 1.00 0.00 C ATOM 244 O GLU A 17 -4.510 1.028 9.151 1.00 0.00 O ATOM 245 CB GLU A 17 -3.287 3.994 9.923 1.00 0.00 C ATOM 246 CG GLU A 17 -2.023 4.801 10.173 1.00 0.00 C ATOM 247 CD GLU A 17 -1.956 5.359 11.582 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.468 6.476 11.803 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.392 4.677 12.463 1.00 0.00 O ATOM 0 H GLU A 17 -2.855 4.665 7.588 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.329 2.293 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.103 4.677 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.563 3.473 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.152 4.170 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.974 5.622 9.458 1.00 0.00 H new ATOM 256 N GLN A 18 -5.437 2.739 8.022 1.00 0.00 N ATOM 257 CA GLN A 18 -6.718 2.067 7.836 1.00 0.00 C ATOM 258 C GLN A 18 -6.527 0.703 7.183 1.00 0.00 C ATOM 259 O GLN A 18 -7.180 -0.273 7.555 1.00 0.00 O ATOM 260 CB GLN A 18 -7.650 2.929 6.984 1.00 0.00 C ATOM 261 CG GLN A 18 -7.992 4.267 7.618 1.00 0.00 C ATOM 262 CD GLN A 18 -9.284 4.854 7.083 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.375 4.438 7.471 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.165 5.827 6.188 1.00 0.00 N ATOM 0 H GLN A 18 -5.388 3.674 7.617 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.169 1.919 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.183 3.105 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.572 2.378 6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.074 4.143 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.177 4.968 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.239 6.140 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.999 6.261 5.793 1.00 0.00 H new ATOM 273 N LEU A 19 -5.629 0.641 6.205 1.00 0.00 N ATOM 274 CA LEU A 19 -5.352 -0.605 5.499 1.00 0.00 C ATOM 275 C LEU A 19 -4.756 -1.645 6.442 1.00 0.00 C ATOM 276 O LEU A 19 -5.237 -2.776 6.516 1.00 0.00 O ATOM 277 CB LEU A 19 -4.395 -0.350 4.332 1.00 0.00 C ATOM 278 CG LEU A 19 -4.884 0.630 3.265 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.752 0.992 2.316 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.059 0.040 2.497 1.00 0.00 C ATOM 0 H LEU A 19 -5.081 1.439 5.883 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.294 -0.992 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.454 0.023 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.180 -1.304 3.850 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.221 1.540 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.118 1.690 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.941 1.456 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.385 0.090 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.394 0.751 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.749 -0.885 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.877 -0.169 3.187 1.00 0.00 H new ATOM 292 N GLN A 20 -3.711 -1.254 7.162 1.00 0.00 N ATOM 293 CA GLN A 20 -3.052 -2.153 8.102 1.00 0.00 C ATOM 294 C GLN A 20 -4.075 -2.889 8.960 1.00 0.00 C ATOM 295 O GLN A 20 -3.999 -4.106 9.127 1.00 0.00 O ATOM 296 CB GLN A 20 -2.086 -1.373 8.995 1.00 0.00 C ATOM 297 CG GLN A 20 -0.956 -0.703 8.230 1.00 0.00 C ATOM 298 CD GLN A 20 0.299 -0.544 9.064 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.590 0.541 9.568 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.052 -1.628 9.214 1.00 0.00 N ATOM 0 H GLN A 20 -3.302 -0.321 7.113 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.490 -2.889 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.644 -0.613 9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.661 -2.051 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.725 -1.291 7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.286 0.277 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.773 -2.507 8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.909 -1.581 9.765 1.00 0.00 H new ATOM 309 N GLU A 21 -5.032 -2.142 9.503 1.00 0.00 N ATOM 310 CA GLU A 21 -6.070 -2.724 10.346 1.00 0.00 C ATOM 311 C GLU A 21 -6.544 -4.060 9.780 1.00 0.00 C ATOM 312 O GLU A 21 -6.799 -5.006 10.525 1.00 0.00 O ATOM 313 CB GLU A 21 -7.253 -1.763 10.473 1.00 0.00 C ATOM 314 CG GLU A 21 -6.947 -0.526 11.300 1.00 0.00 C ATOM 315 CD GLU A 21 -8.180 0.046 11.972 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.725 -0.617 12.879 1.00 0.00 O ATOM 317 OE2 GLU A 21 -8.601 1.159 11.590 1.00 0.00 O ATOM 0 H GLU A 21 -5.110 -1.133 9.374 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.645 -2.898 11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.568 -1.454 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.093 -2.292 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.206 -0.776 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.502 0.234 10.658 1.00 0.00 H new ATOM 324 N LYS A 22 -6.658 -4.129 8.458 1.00 0.00 N ATOM 325 CA LYS A 22 -7.100 -5.347 7.791 1.00 0.00 C ATOM 326 C LYS A 22 -6.139 -6.499 8.070 1.00 0.00 C ATOM 327 O LYS A 22 -6.565 -7.628 8.319 1.00 0.00 O ATOM 328 CB LYS A 22 -7.210 -5.115 6.282 1.00 0.00 C ATOM 329 CG LYS A 22 -8.217 -4.043 5.904 1.00 0.00 C ATOM 330 CD LYS A 22 -9.597 -4.353 6.458 1.00 0.00 C ATOM 331 CE LYS A 22 -10.616 -3.307 6.035 1.00 0.00 C ATOM 332 NZ LYS A 22 -12.010 -3.741 6.324 1.00 0.00 N ATOM 0 H LYS A 22 -6.450 -3.355 7.827 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.081 -5.612 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.231 -4.835 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.489 -6.051 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.881 -3.078 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.270 -3.959 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.917 -5.335 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.551 -4.399 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.412 -2.371 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.511 -3.109 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.671 -3.204 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.107 -4.756 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.227 -3.566 7.326 1.00 0.00 H new ATOM 346 N ASP A 23 -4.844 -6.208 8.028 1.00 0.00 N ATOM 347 CA ASP A 23 -3.824 -7.219 8.278 1.00 0.00 C ATOM 348 C ASP A 23 -3.718 -7.526 9.769 1.00 0.00 C ATOM 349 O ASP A 23 -3.209 -6.718 10.546 1.00 0.00 O ATOM 350 CB ASP A 23 -2.469 -6.751 7.743 1.00 0.00 C ATOM 351 CG ASP A 23 -1.451 -7.873 7.688 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.866 -9.047 7.610 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.238 -7.576 7.723 1.00 0.00 O ATOM 0 H ASP A 23 -4.475 -5.279 7.823 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.116 -8.131 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.600 -6.334 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.089 -5.949 8.376 1.00 0.00 H new ATOM 358 N THR A 24 -4.205 -8.699 10.163 1.00 0.00 N ATOM 359 CA THR A 24 -4.167 -9.112 11.559 1.00 0.00 C ATOM 360 C THR A 24 -2.875 -9.857 11.878 1.00 0.00 C ATOM 361 O THR A 24 -2.425 -9.877 13.023 1.00 0.00 O ATOM 362 CB THR A 24 -5.366 -10.013 11.911 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.312 -11.222 11.147 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.679 -9.295 11.642 1.00 0.00 C ATOM 0 H THR A 24 -4.630 -9.380 9.534 1.00 0.00 H new ATOM 0 HA THR A 24 -4.216 -8.203 12.159 1.00 0.00 H new ATOM 0 HB THR A 24 -5.312 -10.253 12.973 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.077 -11.790 11.378 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.511 -9.951 11.898 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.730 -8.391 12.248 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.738 -9.028 10.587 1.00 0.00 H new ATOM 372 N GLY A 25 -2.283 -10.469 10.857 1.00 0.00 N ATOM 373 CA GLY A 25 -1.048 -11.206 11.049 1.00 0.00 C ATOM 374 C GLY A 25 0.178 -10.320 10.951 1.00 0.00 C ATOM 375 O GLY A 25 1.254 -10.684 11.421 1.00 0.00 O ATOM 0 H GLY A 25 -2.637 -10.467 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.065 -11.690 12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.981 -11.997 10.302 1.00 0.00 H new ATOM 379 N ASN A 26 0.015 -9.154 10.334 1.00 0.00 N ATOM 380 CA ASN A 26 1.118 -8.215 10.173 1.00 0.00 C ATOM 381 C ASN A 26 2.192 -8.788 9.253 1.00 0.00 C ATOM 382 O ASN A 26 3.385 -8.561 9.458 1.00 0.00 O ATOM 383 CB ASN A 26 1.727 -7.872 11.534 1.00 0.00 C ATOM 384 CG ASN A 26 0.682 -7.787 12.630 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.332 -8.792 13.248 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.179 -6.583 12.875 1.00 0.00 N ATOM 0 H ASN A 26 -0.870 -8.837 9.938 1.00 0.00 H new ATOM 0 HA ASN A 26 0.724 -7.306 9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.467 -8.628 11.799 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.254 -6.921 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.528 -6.464 13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.499 -5.777 12.337 1.00 0.00 H new ATOM 393 N ILE A 27 1.759 -9.531 8.241 1.00 0.00 N ATOM 394 CA ILE A 27 2.683 -10.136 7.288 1.00 0.00 C ATOM 395 C ILE A 27 3.350 -9.076 6.419 1.00 0.00 C ATOM 396 O ILE A 27 4.558 -9.116 6.190 1.00 0.00 O ATOM 397 CB ILE A 27 1.969 -11.155 6.380 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.320 -12.256 7.221 1.00 0.00 C ATOM 399 CG2 ILE A 27 2.948 -11.751 5.380 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.553 -13.270 6.402 1.00 0.00 C ATOM 0 H ILE A 27 0.775 -9.729 8.059 1.00 0.00 H new ATOM 0 HA ILE A 27 3.444 -10.654 7.872 1.00 0.00 H new ATOM 0 HB ILE A 27 1.185 -10.638 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.094 -12.771 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.644 -11.799 7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.428 -12.469 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.366 -10.956 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.753 -12.255 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.120 -14.020 7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.244 -12.767 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.229 -13.755 5.697 1.00 0.00 H new ATOM 412 N PHE A 28 2.554 -8.126 5.940 1.00 0.00 N ATOM 413 CA PHE A 28 3.066 -7.053 5.096 1.00 0.00 C ATOM 414 C PHE A 28 3.461 -5.842 5.937 1.00 0.00 C ATOM 415 O PHE A 28 4.003 -4.864 5.420 1.00 0.00 O ATOM 416 CB PHE A 28 2.018 -6.647 4.058 1.00 0.00 C ATOM 417 CG PHE A 28 1.225 -7.805 3.523 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.177 -8.341 4.253 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.526 -8.356 2.287 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.553 -9.407 3.764 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.798 -9.421 1.791 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.243 -9.947 2.531 1.00 0.00 C ATOM 0 H PHE A 28 1.552 -8.077 6.122 1.00 0.00 H new ATOM 0 HA PHE A 28 3.953 -7.421 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.335 -5.925 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.515 -6.143 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.072 -7.921 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.339 -7.948 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.365 -9.818 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.043 -9.841 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.814 -10.779 2.146 1.00 0.00 H new ATOM 432 N SER A 29 3.187 -5.915 7.234 1.00 0.00 N ATOM 433 CA SER A 29 3.509 -4.824 8.147 1.00 0.00 C ATOM 434 C SER A 29 5.015 -4.582 8.193 1.00 0.00 C ATOM 435 O SER A 29 5.474 -3.566 8.713 1.00 0.00 O ATOM 436 CB SER A 29 2.988 -5.135 9.551 1.00 0.00 C ATOM 437 OG SER A 29 2.698 -3.944 10.263 1.00 0.00 O ATOM 0 H SER A 29 2.742 -6.719 7.678 1.00 0.00 H new ATOM 0 HA SER A 29 3.024 -3.920 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.090 -5.749 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.730 -5.717 10.097 1.00 0.00 H new ATOM 0 HG SER A 29 2.365 -4.170 11.157 1.00 0.00 H new ATOM 443 N GLU A 30 5.776 -5.523 7.644 1.00 0.00 N ATOM 444 CA GLU A 30 7.230 -5.412 7.623 1.00 0.00 C ATOM 445 C GLU A 30 7.802 -5.997 6.334 1.00 0.00 C ATOM 446 O GLU A 30 7.238 -6.911 5.734 1.00 0.00 O ATOM 447 CB GLU A 30 7.836 -6.126 8.833 1.00 0.00 C ATOM 448 CG GLU A 30 7.039 -5.938 10.112 1.00 0.00 C ATOM 449 CD GLU A 30 7.833 -6.300 11.353 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.974 -5.813 11.491 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.313 -7.073 12.185 1.00 0.00 O ATOM 0 H GLU A 30 5.411 -6.370 7.208 1.00 0.00 H new ATOM 0 HA GLU A 30 7.489 -4.354 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.912 -7.191 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.851 -5.760 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.713 -4.900 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.140 -6.552 10.069 1.00 0.00 H new ATOM 458 N PRO A 31 8.950 -5.457 5.899 1.00 0.00 N ATOM 459 CA PRO A 31 9.624 -5.908 4.678 1.00 0.00 C ATOM 460 C PRO A 31 10.223 -7.303 4.828 1.00 0.00 C ATOM 461 O PRO A 31 10.613 -7.707 5.924 1.00 0.00 O ATOM 462 CB PRO A 31 10.731 -4.869 4.479 1.00 0.00 C ATOM 463 CG PRO A 31 10.998 -4.334 5.843 1.00 0.00 C ATOM 464 CD PRO A 31 9.679 -4.364 6.566 1.00 0.00 C ATOM 0 HA PRO A 31 8.935 -5.983 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.625 -5.321 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.414 -4.078 3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.741 -4.940 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.393 -3.319 5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.809 -4.558 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.150 -3.415 6.477 1.00 0.00 H new ATOM 472 N VAL A 32 10.293 -8.034 3.720 1.00 0.00 N ATOM 473 CA VAL A 32 10.847 -9.383 3.729 1.00 0.00 C ATOM 474 C VAL A 32 12.370 -9.353 3.707 1.00 0.00 C ATOM 475 O VAL A 32 12.992 -8.770 2.818 1.00 0.00 O ATOM 476 CB VAL A 32 10.342 -10.204 2.527 1.00 0.00 C ATOM 477 CG1 VAL A 32 11.011 -11.570 2.495 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.828 -10.343 2.574 1.00 0.00 C ATOM 0 H VAL A 32 9.973 -7.715 2.805 1.00 0.00 H new ATOM 0 HA VAL A 32 10.511 -9.857 4.651 1.00 0.00 H new ATOM 0 HB VAL A 32 10.606 -9.675 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.642 -12.136 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.090 -11.445 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.780 -12.110 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.489 -10.926 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.537 -10.849 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.371 -9.354 2.544 1.00 0.00 H new ATOM 488 N PRO A 33 12.989 -9.996 4.708 1.00 0.00 N ATOM 489 CA PRO A 33 14.450 -10.057 4.825 1.00 0.00 C ATOM 490 C PRO A 33 15.082 -10.928 3.744 1.00 0.00 C ATOM 491 O PRO A 33 14.733 -12.100 3.594 1.00 0.00 O ATOM 492 CB PRO A 33 14.668 -10.679 6.207 1.00 0.00 C ATOM 493 CG PRO A 33 13.430 -11.465 6.469 1.00 0.00 C ATOM 494 CD PRO A 33 12.313 -10.713 5.802 1.00 0.00 C ATOM 0 HA PRO A 33 14.910 -9.076 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.552 -11.317 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.818 -9.912 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.516 -12.474 6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.249 -11.563 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.544 -11.387 5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.824 -10.025 6.492 1.00 0.00 H new ATOM 502 N LEU A 34 16.013 -10.349 2.994 1.00 0.00 N ATOM 503 CA LEU A 34 16.695 -11.071 1.927 1.00 0.00 C ATOM 504 C LEU A 34 17.431 -12.289 2.477 1.00 0.00 C ATOM 505 O LEU A 34 17.535 -13.318 1.811 1.00 0.00 O ATOM 506 CB LEU A 34 17.679 -10.149 1.207 1.00 0.00 C ATOM 507 CG LEU A 34 17.063 -8.979 0.438 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.150 -8.133 -0.208 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.086 -9.487 -0.612 1.00 0.00 C ATOM 0 H LEU A 34 16.313 -9.380 3.106 1.00 0.00 H new ATOM 0 HA LEU A 34 15.943 -11.414 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.375 -9.747 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.264 -10.749 0.509 1.00 0.00 H new ATOM 0 HG LEU A 34 16.516 -8.354 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.693 -7.306 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.812 -7.739 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.726 -8.747 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.657 -8.641 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.611 -10.135 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.289 -10.049 -0.126 1.00 0.00 H new ATOM 521 N SER A 35 17.938 -12.165 3.700 1.00 0.00 N ATOM 522 CA SER A 35 18.666 -13.253 4.340 1.00 0.00 C ATOM 523 C SER A 35 17.933 -14.579 4.154 1.00 0.00 C ATOM 524 O SER A 35 18.558 -15.630 4.010 1.00 0.00 O ATOM 525 CB SER A 35 18.852 -12.965 5.830 1.00 0.00 C ATOM 526 OG SER A 35 19.820 -11.951 6.037 1.00 0.00 O ATOM 0 H SER A 35 17.857 -11.321 4.267 1.00 0.00 H new ATOM 0 HA SER A 35 19.646 -13.329 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.901 -12.659 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.159 -13.876 6.344 1.00 0.00 H new ATOM 0 HG SER A 35 19.919 -11.784 6.998 1.00 0.00 H new ATOM 532 N GLU A 36 16.606 -14.520 4.159 1.00 0.00 N ATOM 533 CA GLU A 36 15.788 -15.716 3.993 1.00 0.00 C ATOM 534 C GLU A 36 15.389 -15.903 2.532 1.00 0.00 C ATOM 535 O GLU A 36 15.197 -17.027 2.068 1.00 0.00 O ATOM 536 CB GLU A 36 14.536 -15.630 4.868 1.00 0.00 C ATOM 537 CG GLU A 36 14.836 -15.561 6.356 1.00 0.00 C ATOM 538 CD GLU A 36 15.869 -16.583 6.790 1.00 0.00 C ATOM 539 OE1 GLU A 36 15.706 -17.773 6.447 1.00 0.00 O ATOM 540 OE2 GLU A 36 16.839 -16.193 7.473 1.00 0.00 O ATOM 0 H GLU A 36 16.074 -13.658 4.276 1.00 0.00 H new ATOM 0 HA GLU A 36 16.381 -16.577 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.962 -14.749 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.906 -16.498 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.192 -14.561 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.915 -15.720 6.917 1.00 0.00 H new ATOM 547 N VAL A 37 15.266 -14.792 1.811 1.00 0.00 N ATOM 548 CA VAL A 37 14.891 -14.833 0.403 1.00 0.00 C ATOM 549 C VAL A 37 15.910 -14.097 -0.459 1.00 0.00 C ATOM 550 O VAL A 37 15.766 -12.912 -0.762 1.00 0.00 O ATOM 551 CB VAL A 37 13.499 -14.212 0.175 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.857 -14.785 -1.079 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.611 -14.437 1.389 1.00 0.00 C ATOM 0 H VAL A 37 15.421 -13.853 2.179 1.00 0.00 H new ATOM 0 HA VAL A 37 14.865 -15.883 0.113 1.00 0.00 H new ATOM 0 HB VAL A 37 13.618 -13.138 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.875 -14.335 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.486 -14.567 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.749 -15.864 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.632 -13.992 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.497 -15.507 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.067 -13.973 2.264 1.00 0.00 H new ATOM 563 N PRO A 38 16.969 -14.815 -0.864 1.00 0.00 N ATOM 564 CA PRO A 38 18.034 -14.251 -1.699 1.00 0.00 C ATOM 565 C PRO A 38 17.564 -13.957 -3.119 1.00 0.00 C ATOM 566 O PRO A 38 18.195 -13.189 -3.846 1.00 0.00 O ATOM 567 CB PRO A 38 19.100 -15.349 -1.705 1.00 0.00 C ATOM 568 CG PRO A 38 18.347 -16.609 -1.446 1.00 0.00 C ATOM 569 CD PRO A 38 17.206 -16.231 -0.541 1.00 0.00 C ATOM 0 HA PRO A 38 18.389 -13.295 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.622 -15.389 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.854 -15.173 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.980 -17.043 -2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.987 -17.356 -0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.323 -16.840 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.465 -16.366 0.509 1.00 0.00 H new ATOM 577 N ASP A 39 16.454 -14.573 -3.509 1.00 0.00 N ATOM 578 CA ASP A 39 15.899 -14.376 -4.843 1.00 0.00 C ATOM 579 C ASP A 39 14.634 -13.524 -4.785 1.00 0.00 C ATOM 580 O ASP A 39 13.801 -13.569 -5.690 1.00 0.00 O ATOM 581 CB ASP A 39 15.589 -15.725 -5.494 1.00 0.00 C ATOM 582 CG ASP A 39 16.811 -16.617 -5.585 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.892 -16.108 -5.951 1.00 0.00 O ATOM 584 OD2 ASP A 39 16.688 -17.825 -5.290 1.00 0.00 O ATOM 0 H ASP A 39 15.921 -15.213 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 39 16.642 -13.852 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.814 -16.233 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.188 -15.559 -6.494 1.00 0.00 H new ATOM 589 N TYR A 40 14.498 -12.749 -3.715 1.00 0.00 N ATOM 590 CA TYR A 40 13.334 -11.889 -3.536 1.00 0.00 C ATOM 591 C TYR A 40 13.170 -10.942 -4.721 1.00 0.00 C ATOM 592 O TYR A 40 12.191 -11.022 -5.465 1.00 0.00 O ATOM 593 CB TYR A 40 13.460 -11.086 -2.240 1.00 0.00 C ATOM 594 CG TYR A 40 12.246 -10.240 -1.933 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.962 -10.737 -2.116 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.384 -8.941 -1.458 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.850 -9.965 -1.836 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.278 -8.163 -1.174 1.00 0.00 C ATOM 599 CZ TYR A 40 10.013 -8.679 -1.366 1.00 0.00 C ATOM 600 OH TYR A 40 8.909 -7.909 -1.086 1.00 0.00 O ATOM 0 H TYR A 40 15.180 -12.699 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 40 12.450 -12.524 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.633 -11.773 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.336 -10.440 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.830 -11.744 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.373 -8.533 -1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.859 -10.367 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.403 -7.156 -0.804 1.00 0.00 H new ATOM 0 HH TYR A 40 9.197 -7.030 -0.763 1.00 0.00 H new ATOM 610 N LEU A 41 14.135 -10.045 -4.891 1.00 0.00 N ATOM 611 CA LEU A 41 14.101 -9.081 -5.985 1.00 0.00 C ATOM 612 C LEU A 41 14.128 -9.790 -7.336 1.00 0.00 C ATOM 613 O LEU A 41 13.417 -9.406 -8.263 1.00 0.00 O ATOM 614 CB LEU A 41 15.283 -8.116 -5.878 1.00 0.00 C ATOM 615 CG LEU A 41 15.536 -7.516 -4.494 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.890 -6.826 -4.452 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.428 -6.542 -4.124 1.00 0.00 C ATOM 0 H LEU A 41 14.951 -9.965 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 41 13.172 -8.516 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.184 -8.640 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.125 -7.300 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 41 15.540 -8.325 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.053 -6.405 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.674 -7.550 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.915 -6.028 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.625 -6.125 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.392 -5.736 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.472 -7.066 -4.113 1.00 0.00 H new ATOM 629 N ASP A 42 14.954 -10.826 -7.437 1.00 0.00 N ATOM 630 CA ASP A 42 15.072 -11.591 -8.674 1.00 0.00 C ATOM 631 C ASP A 42 13.712 -11.749 -9.347 1.00 0.00 C ATOM 632 O ASP A 42 13.610 -11.729 -10.574 1.00 0.00 O ATOM 633 CB ASP A 42 15.679 -12.966 -8.391 1.00 0.00 C ATOM 634 CG ASP A 42 15.926 -13.761 -9.658 1.00 0.00 C ATOM 635 OD1 ASP A 42 14.956 -13.998 -10.408 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.090 -14.146 -9.900 1.00 0.00 O ATOM 0 H ASP A 42 15.551 -11.155 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 42 15.730 -11.044 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.620 -12.841 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.011 -13.527 -7.738 1.00 0.00 H new ATOM 641 N HIS A 43 12.671 -11.907 -8.537 1.00 0.00 N ATOM 642 CA HIS A 43 11.317 -12.069 -9.054 1.00 0.00 C ATOM 643 C HIS A 43 10.506 -10.790 -8.865 1.00 0.00 C ATOM 644 O HIS A 43 9.622 -10.480 -9.665 1.00 0.00 O ATOM 645 CB HIS A 43 10.618 -13.237 -8.358 1.00 0.00 C ATOM 646 CG HIS A 43 11.118 -14.580 -8.795 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.449 -15.371 -9.705 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.228 -15.269 -8.443 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.126 -16.490 -9.893 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.210 -16.453 -9.139 1.00 0.00 N ATOM 0 H HIS A 43 12.739 -11.926 -7.519 1.00 0.00 H new ATOM 0 HA HIS A 43 11.386 -12.281 -10.121 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.753 -13.141 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.547 -13.176 -8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.987 -14.948 -7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.841 -17.298 -10.551 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.918 -17.185 -9.083 1.00 0.00 H new ATOM 659 N ILE A 44 10.813 -10.053 -7.803 1.00 0.00 N ATOM 660 CA ILE A 44 10.112 -8.809 -7.509 1.00 0.00 C ATOM 661 C ILE A 44 10.943 -7.599 -7.925 1.00 0.00 C ATOM 662 O ILE A 44 12.049 -7.390 -7.426 1.00 0.00 O ATOM 663 CB ILE A 44 9.772 -8.693 -6.012 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.784 -9.789 -5.605 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.202 -7.316 -5.702 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.682 -10.014 -6.616 1.00 0.00 C ATOM 0 H ILE A 44 11.542 -10.295 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 44 9.185 -8.826 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 44 10.688 -8.823 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.328 -10.722 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.338 -9.527 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.967 -7.250 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.936 -6.552 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.295 -7.158 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.019 -10.804 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.113 -9.093 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.118 -10.307 -7.571 1.00 0.00 H new ATOM 678 N LYS A 45 10.402 -6.804 -8.842 1.00 0.00 N ATOM 679 CA LYS A 45 11.091 -5.612 -9.324 1.00 0.00 C ATOM 680 C LYS A 45 10.979 -4.474 -8.315 1.00 0.00 C ATOM 681 O LYS A 45 11.953 -3.770 -8.047 1.00 0.00 O ATOM 682 CB LYS A 45 10.511 -5.174 -10.671 1.00 0.00 C ATOM 683 CG LYS A 45 10.903 -6.079 -11.826 1.00 0.00 C ATOM 684 CD LYS A 45 12.341 -5.842 -12.257 1.00 0.00 C ATOM 685 CE LYS A 45 12.632 -6.487 -13.603 1.00 0.00 C ATOM 686 NZ LYS A 45 13.107 -7.891 -13.454 1.00 0.00 N ATOM 0 H LYS A 45 9.488 -6.963 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 45 12.145 -5.857 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.424 -5.144 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.843 -4.159 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.777 -7.121 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.236 -5.903 -12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.532 -4.771 -12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.019 -6.245 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.731 -6.472 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.386 -5.903 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.294 -8.296 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.981 -7.904 -12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.377 -8.455 -12.973 1.00 0.00 H new ATOM 700 N LYS A 46 9.786 -4.299 -7.758 1.00 0.00 N ATOM 701 CA LYS A 46 9.547 -3.247 -6.776 1.00 0.00 C ATOM 702 C LYS A 46 8.902 -3.817 -5.516 1.00 0.00 C ATOM 703 O LYS A 46 7.680 -3.841 -5.371 1.00 0.00 O ATOM 704 CB LYS A 46 8.651 -2.158 -7.372 1.00 0.00 C ATOM 705 CG LYS A 46 9.347 -1.306 -8.419 1.00 0.00 C ATOM 706 CD LYS A 46 8.365 -0.392 -9.136 1.00 0.00 C ATOM 707 CE LYS A 46 7.721 0.596 -8.175 1.00 0.00 C ATOM 708 NZ LYS A 46 7.206 1.800 -8.882 1.00 0.00 N ATOM 0 H LYS A 46 8.969 -4.872 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 46 10.509 -2.810 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.774 -2.625 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.294 -1.513 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.124 -0.706 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.842 -1.951 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.883 0.152 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.592 -0.992 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.903 0.108 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.450 0.900 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.775 2.449 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.991 2.281 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.492 1.513 -9.581 1.00 0.00 H new ATOM 722 N PRO A 47 9.742 -4.283 -4.580 1.00 0.00 N ATOM 723 CA PRO A 47 9.276 -4.859 -3.314 1.00 0.00 C ATOM 724 C PRO A 47 8.672 -3.809 -2.389 1.00 0.00 C ATOM 725 O PRO A 47 9.385 -3.157 -1.626 1.00 0.00 O ATOM 726 CB PRO A 47 10.550 -5.443 -2.701 1.00 0.00 C ATOM 727 CG PRO A 47 11.659 -4.645 -3.295 1.00 0.00 C ATOM 728 CD PRO A 47 11.211 -4.286 -4.685 1.00 0.00 C ATOM 0 HA PRO A 47 8.485 -5.593 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.540 -5.359 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.654 -6.502 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.856 -3.750 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.584 -5.220 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.594 -3.313 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.560 -5.012 -5.420 1.00 0.00 H new ATOM 736 N MET A 48 7.354 -3.651 -2.460 1.00 0.00 N ATOM 737 CA MET A 48 6.655 -2.682 -1.625 1.00 0.00 C ATOM 738 C MET A 48 6.182 -3.323 -0.325 1.00 0.00 C ATOM 739 O MET A 48 6.033 -4.543 -0.242 1.00 0.00 O ATOM 740 CB MET A 48 5.461 -2.095 -2.381 1.00 0.00 C ATOM 741 CG MET A 48 4.951 -0.790 -1.790 1.00 0.00 C ATOM 742 SD MET A 48 6.245 0.456 -1.635 1.00 0.00 S ATOM 743 CE MET A 48 6.680 0.708 -3.353 1.00 0.00 C ATOM 0 H MET A 48 6.749 -4.182 -3.087 1.00 0.00 H new ATOM 0 HA MET A 48 7.353 -1.881 -1.380 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.746 -1.928 -3.420 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.650 -2.824 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.150 -0.400 -2.418 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.520 -0.985 -0.808 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.294 1.604 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.239 -0.154 -3.717 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.772 0.828 -3.944 1.00 0.00 H new ATOM 753 N ASP A 49 5.950 -2.496 0.688 1.00 0.00 N ATOM 754 CA ASP A 49 5.494 -2.983 1.985 1.00 0.00 C ATOM 755 C ASP A 49 4.841 -1.862 2.788 1.00 0.00 C ATOM 756 O ASP A 49 5.065 -0.681 2.520 1.00 0.00 O ATOM 757 CB ASP A 49 6.664 -3.576 2.771 1.00 0.00 C ATOM 758 CG ASP A 49 7.346 -4.708 2.028 1.00 0.00 C ATOM 759 OD1 ASP A 49 6.833 -5.845 2.080 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.392 -4.456 1.394 1.00 0.00 O ATOM 0 H ASP A 49 6.070 -1.484 0.636 1.00 0.00 H new ATOM 0 HA ASP A 49 4.751 -3.762 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.392 -2.792 2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.304 -3.941 3.733 1.00 0.00 H new ATOM 765 N PHE A 50 4.034 -2.239 3.773 1.00 0.00 N ATOM 766 CA PHE A 50 3.347 -1.266 4.614 1.00 0.00 C ATOM 767 C PHE A 50 4.338 -0.279 5.225 1.00 0.00 C ATOM 768 O PHE A 50 4.023 0.895 5.419 1.00 0.00 O ATOM 769 CB PHE A 50 2.569 -1.977 5.723 1.00 0.00 C ATOM 770 CG PHE A 50 1.201 -2.431 5.299 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.312 -1.543 4.717 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.805 -3.746 5.485 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.947 -1.958 4.325 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.452 -4.167 5.095 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.330 -3.270 4.516 1.00 0.00 C ATOM 0 H PHE A 50 3.839 -3.212 4.009 1.00 0.00 H new ATOM 0 HA PHE A 50 2.648 -0.712 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.141 -2.841 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.472 -1.305 6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.606 -0.514 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.486 -4.450 5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.630 -1.256 3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.748 -5.195 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.314 -3.595 4.214 1.00 0.00 H new ATOM 785 N PHE A 51 5.537 -0.766 5.528 1.00 0.00 N ATOM 786 CA PHE A 51 6.576 0.071 6.118 1.00 0.00 C ATOM 787 C PHE A 51 7.365 0.801 5.036 1.00 0.00 C ATOM 788 O PHE A 51 7.726 1.968 5.195 1.00 0.00 O ATOM 789 CB PHE A 51 7.521 -0.778 6.970 1.00 0.00 C ATOM 790 CG PHE A 51 8.855 -0.131 7.210 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.010 0.822 8.203 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.956 -0.477 6.443 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.236 1.420 8.426 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.184 0.115 6.662 1.00 0.00 C ATOM 795 CZ PHE A 51 11.324 1.066 7.654 1.00 0.00 C ATOM 0 H PHE A 51 5.813 -1.736 5.375 1.00 0.00 H new ATOM 0 HA PHE A 51 6.093 0.813 6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.047 -0.982 7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.675 -1.739 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.162 1.101 8.811 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.852 -1.219 5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.342 2.163 9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.034 -0.165 6.058 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.283 1.532 7.825 1.00 0.00 H new ATOM 805 N THR A 52 7.633 0.106 3.935 1.00 0.00 N ATOM 806 CA THR A 52 8.382 0.686 2.828 1.00 0.00 C ATOM 807 C THR A 52 7.656 1.894 2.246 1.00 0.00 C ATOM 808 O THR A 52 8.240 2.966 2.091 1.00 0.00 O ATOM 809 CB THR A 52 8.617 -0.345 1.707 1.00 0.00 C ATOM 810 OG1 THR A 52 9.515 -1.365 2.161 1.00 0.00 O ATOM 811 CG2 THR A 52 9.189 0.325 0.467 1.00 0.00 C ATOM 0 H THR A 52 7.342 -0.860 3.786 1.00 0.00 H new ATOM 0 HA THR A 52 9.345 1.002 3.230 1.00 0.00 H new ATOM 0 HB THR A 52 7.658 -0.794 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.658 -2.018 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.346 -0.422 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.491 1.081 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.140 0.797 0.714 1.00 0.00 H new ATOM 819 N MET A 53 6.379 1.714 1.926 1.00 0.00 N ATOM 820 CA MET A 53 5.573 2.790 1.363 1.00 0.00 C ATOM 821 C MET A 53 5.560 4.002 2.290 1.00 0.00 C ATOM 822 O MET A 53 5.530 5.145 1.834 1.00 0.00 O ATOM 823 CB MET A 53 4.142 2.309 1.115 1.00 0.00 C ATOM 824 CG MET A 53 3.386 1.966 2.388 1.00 0.00 C ATOM 825 SD MET A 53 1.823 1.126 2.064 1.00 0.00 S ATOM 826 CE MET A 53 1.190 2.104 0.704 1.00 0.00 C ATOM 0 H MET A 53 5.880 0.833 2.047 1.00 0.00 H new ATOM 0 HA MET A 53 6.019 3.085 0.413 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.596 3.083 0.575 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.170 1.430 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.011 1.332 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.193 2.881 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.106 1.998 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.445 3.152 0.860 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.632 1.758 -0.230 1.00 0.00 H new ATOM 836 N LYS A 54 5.583 3.744 3.593 1.00 0.00 N ATOM 837 CA LYS A 54 5.576 4.813 4.585 1.00 0.00 C ATOM 838 C LYS A 54 6.764 5.748 4.387 1.00 0.00 C ATOM 839 O LYS A 54 6.601 6.964 4.299 1.00 0.00 O ATOM 840 CB LYS A 54 5.605 4.225 5.997 1.00 0.00 C ATOM 841 CG LYS A 54 5.293 5.240 7.084 1.00 0.00 C ATOM 842 CD LYS A 54 3.801 5.314 7.367 1.00 0.00 C ATOM 843 CE LYS A 54 3.500 6.234 8.540 1.00 0.00 C ATOM 844 NZ LYS A 54 3.858 5.606 9.842 1.00 0.00 N ATOM 0 H LYS A 54 5.607 2.803 3.987 1.00 0.00 H new ATOM 0 HA LYS A 54 4.659 5.389 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.886 3.408 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.590 3.796 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.824 4.972 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.656 6.222 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.279 5.672 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.420 4.315 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.053 7.166 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.440 6.489 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.545 6.220 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.390 4.681 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.889 5.478 9.894 1.00 0.00 H new ATOM 858 N GLN A 55 7.959 5.170 4.315 1.00 0.00 N ATOM 859 CA GLN A 55 9.175 5.953 4.127 1.00 0.00 C ATOM 860 C GLN A 55 9.021 6.927 2.964 1.00 0.00 C ATOM 861 O GLN A 55 9.289 8.120 3.100 1.00 0.00 O ATOM 862 CB GLN A 55 10.368 5.029 3.878 1.00 0.00 C ATOM 863 CG GLN A 55 10.573 3.992 4.972 1.00 0.00 C ATOM 864 CD GLN A 55 11.231 4.571 6.209 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.323 5.135 6.139 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.568 4.433 7.350 1.00 0.00 N ATOM 0 H GLN A 55 8.111 4.164 4.384 1.00 0.00 H new ATOM 0 HA GLN A 55 9.352 6.527 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.228 4.518 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.271 5.632 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.609 3.562 5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.187 3.178 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.665 3.958 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.961 4.802 8.216 1.00 0.00 H new ATOM 875 N ASN A 56 8.585 6.410 1.819 1.00 0.00 N ATOM 876 CA ASN A 56 8.395 7.234 0.631 1.00 0.00 C ATOM 877 C ASN A 56 7.292 8.265 0.855 1.00 0.00 C ATOM 878 O ASN A 56 7.407 9.416 0.432 1.00 0.00 O ATOM 879 CB ASN A 56 8.053 6.358 -0.574 1.00 0.00 C ATOM 880 CG ASN A 56 9.082 5.267 -0.807 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.285 5.498 -0.688 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.610 4.071 -1.139 1.00 0.00 N ATOM 0 H ASN A 56 8.357 5.424 1.689 1.00 0.00 H new ATOM 0 HA ASN A 56 9.327 7.763 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.074 5.904 -0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.981 6.982 -1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.253 3.297 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.604 3.926 -1.226 1.00 0.00 H new ATOM 889 N LEU A 57 6.223 7.842 1.521 1.00 0.00 N ATOM 890 CA LEU A 57 5.098 8.728 1.802 1.00 0.00 C ATOM 891 C LEU A 57 5.543 9.928 2.632 1.00 0.00 C ATOM 892 O LEU A 57 5.124 11.057 2.380 1.00 0.00 O ATOM 893 CB LEU A 57 3.996 7.965 2.539 1.00 0.00 C ATOM 894 CG LEU A 57 3.134 8.790 3.497 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.730 8.211 3.583 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.776 8.847 4.875 1.00 0.00 C ATOM 0 H LEU A 57 6.111 6.892 1.876 1.00 0.00 H new ATOM 0 HA LEU A 57 4.708 9.092 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.342 7.505 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.458 7.155 3.103 1.00 0.00 H new ATOM 0 HG LEU A 57 3.062 9.806 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.131 8.810 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.271 8.222 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.781 7.185 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.150 9.438 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.878 7.837 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.761 9.308 4.799 1.00 0.00 H new ATOM 908 N GLU A 58 6.396 9.676 3.619 1.00 0.00 N ATOM 909 CA GLU A 58 6.899 10.736 4.484 1.00 0.00 C ATOM 910 C GLU A 58 8.046 11.486 3.815 1.00 0.00 C ATOM 911 O GLU A 58 8.531 12.491 4.333 1.00 0.00 O ATOM 912 CB GLU A 58 7.365 10.155 5.821 1.00 0.00 C ATOM 913 CG GLU A 58 6.225 9.717 6.725 1.00 0.00 C ATOM 914 CD GLU A 58 6.590 9.780 8.196 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.267 8.849 8.681 1.00 0.00 O ATOM 916 OE2 GLU A 58 6.197 10.760 8.862 1.00 0.00 O ATOM 0 H GLU A 58 6.753 8.747 3.840 1.00 0.00 H new ATOM 0 HA GLU A 58 6.086 11.439 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.014 9.301 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.965 10.901 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.357 10.351 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.935 8.698 6.470 1.00 0.00 H new ATOM 923 N ALA A 59 8.476 10.989 2.660 1.00 0.00 N ATOM 924 CA ALA A 59 9.565 11.612 1.918 1.00 0.00 C ATOM 925 C ALA A 59 9.029 12.504 0.803 1.00 0.00 C ATOM 926 O ALA A 59 9.761 12.869 -0.119 1.00 0.00 O ATOM 927 CB ALA A 59 10.490 10.549 1.347 1.00 0.00 C ATOM 0 H ALA A 59 8.087 10.156 2.218 1.00 0.00 H new ATOM 0 HA ALA A 59 10.131 12.238 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.299 11.029 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.908 9.955 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.928 9.900 0.676 1.00 0.00 H new ATOM 933 N TYR A 60 7.750 12.850 0.891 1.00 0.00 N ATOM 934 CA TYR A 60 7.116 13.697 -0.113 1.00 0.00 C ATOM 935 C TYR A 60 7.227 13.073 -1.500 1.00 0.00 C ATOM 936 O TYR A 60 7.384 13.776 -2.499 1.00 0.00 O ATOM 937 CB TYR A 60 7.754 15.088 -0.114 1.00 0.00 C ATOM 938 CG TYR A 60 7.494 15.874 1.150 1.00 0.00 C ATOM 939 CD1 TYR A 60 8.348 15.775 2.242 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.393 16.716 1.254 1.00 0.00 C ATOM 941 CE1 TYR A 60 8.114 16.491 3.400 1.00 0.00 C ATOM 942 CE2 TYR A 60 6.152 17.437 2.408 1.00 0.00 C ATOM 943 CZ TYR A 60 7.015 17.321 3.478 1.00 0.00 C ATOM 944 OH TYR A 60 6.778 18.037 4.629 1.00 0.00 O ATOM 0 H TYR A 60 7.131 12.557 1.647 1.00 0.00 H new ATOM 0 HA TYR A 60 6.060 13.789 0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.830 14.985 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.375 15.652 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.210 15.127 2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.714 16.808 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.788 16.401 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.293 18.088 2.472 1.00 0.00 H new ATOM 0 HH TYR A 60 5.965 18.573 4.519 1.00 0.00 H new ATOM 954 N ARG A 61 7.143 11.747 -1.555 1.00 0.00 N ATOM 955 CA ARG A 61 7.235 11.028 -2.819 1.00 0.00 C ATOM 956 C ARG A 61 5.854 10.853 -3.447 1.00 0.00 C ATOM 957 O ARG A 61 5.727 10.718 -4.664 1.00 0.00 O ATOM 958 CB ARG A 61 7.886 9.659 -2.605 1.00 0.00 C ATOM 959 CG ARG A 61 9.378 9.733 -2.324 1.00 0.00 C ATOM 960 CD ARG A 61 10.100 8.491 -2.819 1.00 0.00 C ATOM 961 NE ARG A 61 11.514 8.746 -3.081 1.00 0.00 N ATOM 962 CZ ARG A 61 12.310 7.894 -3.716 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.834 6.737 -4.154 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.586 8.199 -3.917 1.00 0.00 N ATOM 0 H ARG A 61 7.011 11.150 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 61 7.853 11.615 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.392 9.157 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.721 9.045 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.797 10.616 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.542 9.848 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.006 7.698 -2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.622 8.133 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 61 11.912 9.628 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.854 6.499 -4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.448 6.085 -4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.956 9.089 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.196 7.543 -4.405 1.00 0.00 H new ATOM 978 N TYR A 62 4.825 10.855 -2.607 1.00 0.00 N ATOM 979 CA TYR A 62 3.455 10.694 -3.078 1.00 0.00 C ATOM 980 C TYR A 62 2.687 12.009 -2.983 1.00 0.00 C ATOM 981 O TYR A 62 2.426 12.512 -1.888 1.00 0.00 O ATOM 982 CB TYR A 62 2.738 9.613 -2.268 1.00 0.00 C ATOM 983 CG TYR A 62 3.462 8.285 -2.258 1.00 0.00 C ATOM 984 CD1 TYR A 62 3.960 7.733 -3.431 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.647 7.582 -1.074 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.620 6.520 -3.426 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.308 6.369 -1.059 1.00 0.00 C ATOM 988 CZ TYR A 62 4.792 5.842 -2.237 1.00 0.00 C ATOM 989 OH TYR A 62 5.452 4.635 -2.228 1.00 0.00 O ATOM 0 H TYR A 62 4.914 10.966 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 62 3.492 10.391 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.617 9.960 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.737 9.469 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.829 8.262 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.267 7.991 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.999 6.104 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.445 5.837 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 62 5.489 4.289 -1.312 1.00 0.00 H new ATOM 999 N LEU A 63 2.328 12.563 -4.136 1.00 0.00 N ATOM 1000 CA LEU A 63 1.590 13.820 -4.185 1.00 0.00 C ATOM 1001 C LEU A 63 0.159 13.592 -4.664 1.00 0.00 C ATOM 1002 O LEU A 63 -0.745 14.358 -4.332 1.00 0.00 O ATOM 1003 CB LEU A 63 2.297 14.814 -5.106 1.00 0.00 C ATOM 1004 CG LEU A 63 3.789 15.028 -4.845 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.489 15.498 -6.111 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.995 16.026 -3.716 1.00 0.00 C ATOM 0 H LEU A 63 2.536 12.161 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 63 1.555 14.232 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.174 14.476 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.793 15.777 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 63 4.227 14.076 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.550 15.645 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.371 14.747 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.049 16.439 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.062 16.166 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.543 16.980 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.528 15.648 -2.807 1.00 0.00 H new ATOM 1018 N ASN A 64 -0.037 12.535 -5.444 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.358 12.206 -5.968 1.00 0.00 C ATOM 1020 C ASN A 64 -1.773 10.798 -5.551 1.00 0.00 C ATOM 1021 O ASN A 64 -0.945 9.891 -5.477 1.00 0.00 O ATOM 1022 CB ASN A 64 -1.368 12.322 -7.493 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.017 12.004 -8.105 1.00 0.00 C ATOM 1024 OD1 ASN A 64 0.124 11.043 -8.861 1.00 0.00 O ATOM 1025 ND2 ASN A 64 0.984 12.815 -7.782 1.00 0.00 N ATOM 0 H ASN A 64 0.702 11.891 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.074 12.915 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.118 11.644 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.664 13.332 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.915 12.653 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.821 13.600 -7.151 1.00 0.00 H new ATOM 1032 N PHE A 65 -3.063 10.624 -5.279 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.588 9.328 -4.868 1.00 0.00 C ATOM 1034 C PHE A 65 -3.160 8.234 -5.842 1.00 0.00 C ATOM 1035 O PHE A 65 -2.814 7.125 -5.433 1.00 0.00 O ATOM 1036 CB PHE A 65 -5.116 9.378 -4.781 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.697 8.349 -3.853 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.933 7.056 -4.292 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.009 8.677 -2.544 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.467 6.107 -3.440 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.543 7.732 -1.688 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.774 6.447 -2.137 1.00 0.00 C ATOM 0 H PHE A 65 -3.763 11.364 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.181 9.094 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.421 10.370 -4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.534 9.234 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.697 6.787 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.833 9.682 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.644 5.102 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.779 7.999 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.194 5.709 -1.470 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.185 8.554 -7.130 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.797 7.599 -8.164 1.00 0.00 C ATOM 1054 C ASP A 66 -1.432 6.992 -7.858 1.00 0.00 C ATOM 1055 O ASP A 66 -1.124 5.882 -8.292 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.771 8.281 -9.532 1.00 0.00 C ATOM 1057 CG ASP A 66 -2.851 7.287 -10.675 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -3.558 6.267 -10.526 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -2.210 7.528 -11.718 1.00 0.00 O ATOM 0 H ASP A 66 -3.470 9.467 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.535 6.797 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.605 8.980 -9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.856 8.866 -9.626 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.617 7.727 -7.108 1.00 0.00 N ATOM 1065 CA ASP A 67 0.716 7.260 -6.744 1.00 0.00 C ATOM 1066 C ASP A 67 0.669 6.426 -5.468 1.00 0.00 C ATOM 1067 O ASP A 67 1.208 5.319 -5.418 1.00 0.00 O ATOM 1068 CB ASP A 67 1.662 8.448 -6.557 1.00 0.00 C ATOM 1069 CG ASP A 67 1.868 9.232 -7.839 1.00 0.00 C ATOM 1070 OD1 ASP A 67 1.688 8.646 -8.927 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.209 10.430 -7.754 1.00 0.00 O ATOM 0 H ASP A 67 -0.856 8.648 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 67 1.089 6.633 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.261 9.111 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.625 8.088 -6.196 1.00 0.00 H new ATOM 1076 N PHE A 68 0.024 6.962 -4.438 1.00 0.00 N ATOM 1077 CA PHE A 68 -0.091 6.268 -3.162 1.00 0.00 C ATOM 1078 C PHE A 68 -0.891 4.978 -3.314 1.00 0.00 C ATOM 1079 O PHE A 68 -0.790 4.071 -2.489 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.754 7.174 -2.122 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.016 6.490 -0.811 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -2.183 5.768 -0.612 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.097 6.567 0.223 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.427 5.137 0.593 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.336 5.938 1.430 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.503 5.223 1.616 1.00 0.00 C ATOM 0 H PHE A 68 -0.428 7.876 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 68 0.913 6.013 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.117 8.042 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.697 7.545 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.910 5.698 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.817 7.125 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.340 4.577 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.389 6.005 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.693 4.732 2.559 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.688 4.906 -4.376 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.508 3.727 -4.636 1.00 0.00 C ATOM 1098 C GLU A 69 -1.735 2.697 -5.453 1.00 0.00 C ATOM 1099 O GLU A 69 -2.063 1.511 -5.444 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.789 4.123 -5.373 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.552 2.940 -5.945 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.845 3.352 -6.622 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.773 3.792 -5.913 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.926 3.234 -7.864 1.00 0.00 O ATOM 0 H GLU A 69 -1.783 5.648 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.772 3.280 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.439 4.667 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.536 4.807 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.920 2.418 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.774 2.234 -5.145 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.708 3.159 -6.160 1.00 0.00 N ATOM 1112 CA GLU A 70 0.111 2.278 -6.983 1.00 0.00 C ATOM 1113 C GLU A 70 0.951 1.347 -6.115 1.00 0.00 C ATOM 1114 O GLU A 70 0.928 0.128 -6.289 1.00 0.00 O ATOM 1115 CB GLU A 70 1.021 3.098 -7.900 1.00 0.00 C ATOM 1116 CG GLU A 70 1.972 2.252 -8.728 1.00 0.00 C ATOM 1117 CD GLU A 70 1.360 1.800 -10.039 1.00 0.00 C ATOM 1118 OE1 GLU A 70 0.299 1.142 -10.004 1.00 0.00 O ATOM 1119 OE2 GLU A 70 1.942 2.105 -11.102 1.00 0.00 O ATOM 0 H GLU A 70 -0.424 4.138 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.557 1.672 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.404 3.696 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.601 3.794 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.877 2.824 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.271 1.377 -8.150 1.00 0.00 H new ATOM 1126 N ASP A 71 1.692 1.929 -5.178 1.00 0.00 N ATOM 1127 CA ASP A 71 2.540 1.153 -4.281 1.00 0.00 C ATOM 1128 C ASP A 71 1.730 0.080 -3.560 1.00 0.00 C ATOM 1129 O ASP A 71 2.097 -1.095 -3.562 1.00 0.00 O ATOM 1130 CB ASP A 71 3.216 2.071 -3.261 1.00 0.00 C ATOM 1131 CG ASP A 71 2.305 3.190 -2.797 1.00 0.00 C ATOM 1132 OD1 ASP A 71 1.289 2.891 -2.134 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.607 4.364 -3.095 1.00 0.00 O ATOM 0 H ASP A 71 1.722 2.936 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 71 3.307 0.662 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.531 1.482 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.116 2.499 -3.702 1.00 0.00 H new ATOM 1138 N PHE A 72 0.628 0.492 -2.944 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.234 -0.433 -2.217 1.00 0.00 C ATOM 1140 C PHE A 72 -0.609 -1.626 -3.090 1.00 0.00 C ATOM 1141 O PHE A 72 -0.665 -2.761 -2.619 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.498 0.283 -1.739 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.579 -0.653 -1.279 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.374 -1.319 -2.197 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.799 -0.867 0.072 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.370 -2.180 -1.777 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.793 -1.728 0.499 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.579 -2.385 -0.427 1.00 0.00 C ATOM 0 H PHE A 72 0.310 1.461 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 72 0.316 -0.799 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.238 0.955 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.884 0.901 -2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.214 -1.164 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.187 -0.355 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.984 -2.692 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.954 -1.886 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.356 -3.058 -0.096 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.869 -1.359 -4.366 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.241 -2.410 -5.306 1.00 0.00 C ATOM 1160 C ASN A 73 -0.126 -3.443 -5.438 1.00 0.00 C ATOM 1161 O ASN A 73 -0.387 -4.634 -5.614 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.558 -1.807 -6.677 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.921 -1.143 -6.716 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.771 -1.396 -5.862 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.134 -0.289 -7.710 1.00 0.00 N ATOM 0 H ASN A 73 -0.829 -0.424 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.130 -2.909 -4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.793 -1.075 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.517 -2.590 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.032 0.189 -7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.400 -0.110 -8.395 1.00 0.00 H new ATOM 1172 N LEU A 74 1.115 -2.979 -5.351 1.00 0.00 N ATOM 1173 CA LEU A 74 2.271 -3.863 -5.459 1.00 0.00 C ATOM 1174 C LEU A 74 2.346 -4.810 -4.266 1.00 0.00 C ATOM 1175 O LEU A 74 2.407 -6.029 -4.432 1.00 0.00 O ATOM 1176 CB LEU A 74 3.558 -3.042 -5.554 1.00 0.00 C ATOM 1177 CG LEU A 74 3.869 -2.436 -6.923 1.00 0.00 C ATOM 1178 CD1 LEU A 74 4.972 -1.395 -6.808 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.261 -3.526 -7.911 1.00 0.00 C ATOM 0 H LEU A 74 1.347 -1.996 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 74 2.159 -4.458 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.504 -2.233 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.393 -3.679 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 74 2.971 -1.943 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.180 -0.975 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.653 -0.600 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.875 -1.863 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.479 -3.077 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.146 -4.048 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.439 -4.235 -8.016 1.00 0.00 H new ATOM 1191 N ILE A 75 2.338 -4.243 -3.064 1.00 0.00 N ATOM 1192 CA ILE A 75 2.401 -5.038 -1.845 1.00 0.00 C ATOM 1193 C ILE A 75 1.570 -6.310 -1.973 1.00 0.00 C ATOM 1194 O ILE A 75 1.863 -7.322 -1.337 1.00 0.00 O ATOM 1195 CB ILE A 75 1.908 -4.237 -0.625 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.776 -2.995 -0.419 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.920 -5.110 0.622 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.161 -1.975 0.514 1.00 0.00 C ATOM 0 H ILE A 75 2.288 -3.236 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 75 3.447 -5.305 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 75 0.883 -3.915 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.744 -3.300 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.960 -2.526 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.569 -4.530 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.264 -5.968 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.935 -5.458 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.832 -1.121 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.206 -1.641 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.002 -2.427 1.493 1.00 0.00 H new ATOM 1210 N VAL A 76 0.533 -6.251 -2.803 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.340 -7.398 -3.018 1.00 0.00 C ATOM 1212 C VAL A 76 0.092 -8.196 -4.244 1.00 0.00 C ATOM 1213 O VAL A 76 0.129 -9.426 -4.216 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.807 -6.963 -3.194 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.698 -8.173 -3.434 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.278 -6.176 -1.980 1.00 0.00 C ATOM 0 H VAL A 76 0.277 -5.421 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.259 -8.027 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.873 -6.314 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.731 -7.846 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.373 -8.691 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.630 -8.850 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.316 -5.876 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.198 -6.799 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.658 -5.288 -1.859 1.00 0.00 H new ATOM 1226 N SER A 77 0.419 -7.486 -5.319 1.00 0.00 N ATOM 1227 CA SER A 77 0.847 -8.127 -6.557 1.00 0.00 C ATOM 1228 C SER A 77 2.099 -8.967 -6.330 1.00 0.00 C ATOM 1229 O SER A 77 2.056 -10.195 -6.394 1.00 0.00 O ATOM 1230 CB SER A 77 1.113 -7.075 -7.635 1.00 0.00 C ATOM 1231 OG SER A 77 1.874 -7.619 -8.701 1.00 0.00 O ATOM 0 H SER A 77 0.396 -6.467 -5.358 1.00 0.00 H new ATOM 0 HA SER A 77 0.045 -8.785 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.166 -6.694 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.644 -6.229 -7.199 1.00 0.00 H new ATOM 0 HG SER A 77 2.029 -6.928 -9.378 1.00 0.00 H new ATOM 1237 N ASN A 78 3.215 -8.296 -6.063 1.00 0.00 N ATOM 1238 CA ASN A 78 4.480 -8.980 -5.826 1.00 0.00 C ATOM 1239 C ASN A 78 4.275 -10.219 -4.961 1.00 0.00 C ATOM 1240 O ASN A 78 4.995 -11.210 -5.098 1.00 0.00 O ATOM 1241 CB ASN A 78 5.477 -8.033 -5.153 1.00 0.00 C ATOM 1242 CG ASN A 78 4.835 -7.197 -4.063 1.00 0.00 C ATOM 1243 OD1 ASN A 78 4.213 -7.728 -3.142 1.00 0.00 O ATOM 1244 ND2 ASN A 78 4.982 -5.880 -4.163 1.00 0.00 N ATOM 0 H ASN A 78 3.268 -7.279 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 78 4.881 -9.294 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.295 -8.614 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.912 -7.374 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.571 -5.266 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.506 -5.483 -4.943 1.00 0.00 H new ATOM 1251 N CYS A 79 3.292 -10.157 -4.071 1.00 0.00 N ATOM 1252 CA CYS A 79 2.991 -11.274 -3.183 1.00 0.00 C ATOM 1253 C CYS A 79 2.150 -12.327 -3.898 1.00 0.00 C ATOM 1254 O CYS A 79 2.345 -13.528 -3.707 1.00 0.00 O ATOM 1255 CB CYS A 79 2.258 -10.779 -1.936 1.00 0.00 C ATOM 1256 SG CYS A 79 2.459 -11.844 -0.489 1.00 0.00 S ATOM 0 H CYS A 79 2.689 -9.344 -3.945 1.00 0.00 H new ATOM 0 HA CYS A 79 3.934 -11.731 -2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.616 -9.779 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.196 -10.690 -2.164 1.00 0.00 H new ATOM 0 HG CYS A 79 1.289 -12.175 -0.028 1.00 0.00 H new ATOM 1262 N LEU A 80 1.213 -11.869 -4.721 1.00 0.00 N ATOM 1263 CA LEU A 80 0.340 -12.771 -5.465 1.00 0.00 C ATOM 1264 C LEU A 80 1.053 -13.329 -6.692 1.00 0.00 C ATOM 1265 O LEU A 80 0.575 -14.270 -7.326 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.936 -12.041 -5.889 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.940 -11.742 -4.774 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -3.025 -10.800 -5.272 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.551 -13.031 -4.247 1.00 0.00 C ATOM 0 H LEU A 80 1.038 -10.878 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 80 0.075 -13.603 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.653 -11.099 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.437 -12.639 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.411 -11.254 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.730 -10.599 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.572 -9.864 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.552 -11.261 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.263 -12.799 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.066 -13.548 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.763 -13.672 -3.851 1.00 0.00 H new ATOM 1281 N LYS A 81 2.199 -12.744 -7.021 1.00 0.00 N ATOM 1282 CA LYS A 81 2.981 -13.185 -8.171 1.00 0.00 C ATOM 1283 C LYS A 81 4.112 -14.112 -7.736 1.00 0.00 C ATOM 1284 O LYS A 81 4.332 -15.162 -8.340 1.00 0.00 O ATOM 1285 CB LYS A 81 3.555 -11.977 -8.915 1.00 0.00 C ATOM 1286 CG LYS A 81 4.920 -11.545 -8.412 1.00 0.00 C ATOM 1287 CD LYS A 81 5.479 -10.393 -9.232 1.00 0.00 C ATOM 1288 CE LYS A 81 6.208 -10.894 -10.470 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.273 -11.149 -11.601 1.00 0.00 N ATOM 0 H LYS A 81 2.608 -11.963 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 81 2.320 -13.736 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.627 -12.215 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.862 -11.141 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.845 -11.246 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.608 -12.390 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.667 -9.729 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.162 -9.806 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.954 -10.159 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.744 -11.812 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.647 -10.709 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.177 -12.174 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.342 -10.742 -11.380 1.00 0.00 H new ATOM 1303 N TYR A 82 4.824 -13.718 -6.687 1.00 0.00 N ATOM 1304 CA TYR A 82 5.932 -14.513 -6.173 1.00 0.00 C ATOM 1305 C TYR A 82 5.433 -15.830 -5.587 1.00 0.00 C ATOM 1306 O TYR A 82 5.862 -16.908 -5.997 1.00 0.00 O ATOM 1307 CB TYR A 82 6.701 -13.728 -5.109 1.00 0.00 C ATOM 1308 CG TYR A 82 8.087 -14.270 -4.841 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.003 -14.435 -5.873 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.481 -14.616 -3.554 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.270 -14.930 -5.632 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.747 -15.111 -3.303 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.636 -15.266 -4.345 1.00 0.00 C ATOM 1314 OH TYR A 82 11.898 -15.758 -4.100 1.00 0.00 O ATOM 0 H TYR A 82 4.654 -12.852 -6.176 1.00 0.00 H new ATOM 0 HA TYR A 82 6.601 -14.736 -7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.781 -12.688 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.131 -13.736 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.719 -14.172 -6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.786 -14.496 -2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.969 -15.053 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.038 -15.375 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 82 12.551 -15.269 -4.643 1.00 0.00 H new ATOM 1324 N ASN A 83 4.520 -15.733 -4.625 1.00 0.00 N ATOM 1325 CA ASN A 83 3.960 -16.916 -3.982 1.00 0.00 C ATOM 1326 C ASN A 83 2.611 -17.281 -4.594 1.00 0.00 C ATOM 1327 O ASN A 83 2.065 -16.537 -5.408 1.00 0.00 O ATOM 1328 CB ASN A 83 3.802 -16.678 -2.479 1.00 0.00 C ATOM 1329 CG ASN A 83 5.123 -16.368 -1.801 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.973 -17.245 -1.644 1.00 0.00 O ATOM 1331 ND2 ASN A 83 5.300 -15.116 -1.395 1.00 0.00 N ATOM 0 H ASN A 83 4.153 -14.848 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 83 4.648 -17.746 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.110 -15.852 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.359 -17.561 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.168 -14.848 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.568 -14.422 -1.546 1.00 0.00 H new ATOM 1338 N ALA A 84 2.079 -18.432 -4.197 1.00 0.00 N ATOM 1339 CA ALA A 84 0.793 -18.895 -4.703 1.00 0.00 C ATOM 1340 C ALA A 84 -0.216 -19.060 -3.573 1.00 0.00 C ATOM 1341 O ALA A 84 0.151 -19.094 -2.398 1.00 0.00 O ATOM 1342 CB ALA A 84 0.964 -20.207 -5.456 1.00 0.00 C ATOM 0 H ALA A 84 2.519 -19.061 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 84 0.409 -18.141 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.004 -20.542 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.644 -20.059 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.375 -20.961 -4.785 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.491 -19.159 -3.934 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.555 -19.320 -2.950 1.00 0.00 C ATOM 1350 C LYS A 85 -2.140 -20.297 -1.855 1.00 0.00 C ATOM 1351 O LYS A 85 -2.364 -20.048 -0.671 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.836 -19.811 -3.629 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.450 -18.796 -4.577 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.235 -19.473 -5.687 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.795 -18.460 -6.673 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.516 -19.119 -7.798 1.00 0.00 N ATOM 0 H LYS A 85 -1.813 -19.131 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.743 -18.349 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.617 -20.725 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.567 -20.069 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.108 -18.128 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.663 -18.179 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.590 -20.176 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.052 -20.052 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.474 -17.784 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.982 -17.852 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.882 -18.394 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.862 -19.744 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.308 -19.679 -7.422 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.535 -21.408 -2.259 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.087 -22.422 -1.311 1.00 0.00 C ATOM 1372 C ASP A 86 -0.460 -21.776 -0.080 1.00 0.00 C ATOM 1373 O ASP A 86 -0.772 -22.142 1.054 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.080 -23.364 -1.976 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.587 -23.914 -3.295 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.731 -24.415 -3.329 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.160 -23.842 -4.294 1.00 0.00 O ATOM 0 H ASP A 86 -1.343 -21.630 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.957 -22.997 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.856 -22.831 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.140 -24.191 -1.301 1.00 0.00 H new ATOM 1382 N THR A 87 0.428 -20.814 -0.310 1.00 0.00 N ATOM 1383 CA THR A 87 1.101 -20.117 0.780 1.00 0.00 C ATOM 1384 C THR A 87 0.129 -19.229 1.548 1.00 0.00 C ATOM 1385 O THR A 87 -1.009 -19.026 1.122 1.00 0.00 O ATOM 1386 CB THR A 87 2.267 -19.256 0.261 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.762 -18.170 -0.525 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.227 -20.091 -0.574 1.00 0.00 C ATOM 0 H THR A 87 0.698 -20.499 -1.242 1.00 0.00 H new ATOM 0 HA THR A 87 1.495 -20.882 1.449 1.00 0.00 H new ATOM 0 HB THR A 87 2.809 -18.861 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.411 -18.515 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.042 -19.461 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.632 -20.899 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.695 -20.512 -1.427 1.00 0.00 H new ATOM 1396 N ILE A 88 0.585 -18.701 2.678 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.245 -17.832 3.504 1.00 0.00 C ATOM 1398 C ILE A 88 -0.234 -16.401 2.978 1.00 0.00 C ATOM 1399 O ILE A 88 -1.273 -15.861 2.597 1.00 0.00 O ATOM 1400 CB ILE A 88 0.225 -17.832 4.970 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.428 -18.983 5.738 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.097 -16.499 5.629 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.341 -18.832 7.241 1.00 0.00 C ATOM 0 H ILE A 88 1.524 -18.859 3.043 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.260 -18.226 3.457 1.00 0.00 H new ATOM 0 HB ILE A 88 1.306 -17.974 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.476 -19.054 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.048 -19.920 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.241 -16.514 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.410 -15.696 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.173 -16.330 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.824 -19.683 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.706 -18.791 7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.842 -17.913 7.544 1.00 0.00 H new ATOM 1415 N PHE A 89 0.946 -15.792 2.958 1.00 0.00 N ATOM 1416 CA PHE A 89 1.093 -14.423 2.478 1.00 0.00 C ATOM 1417 C PHE A 89 0.205 -14.175 1.263 1.00 0.00 C ATOM 1418 O PHE A 89 -0.188 -13.041 0.988 1.00 0.00 O ATOM 1419 CB PHE A 89 2.554 -14.139 2.123 1.00 0.00 C ATOM 1420 CG PHE A 89 3.537 -14.833 3.023 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.366 -14.819 4.399 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.629 -15.500 2.494 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.268 -15.457 5.228 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.535 -16.140 3.319 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.353 -16.119 4.688 1.00 0.00 C ATOM 0 H PHE A 89 1.816 -16.225 3.269 1.00 0.00 H new ATOM 0 HA PHE A 89 0.783 -13.749 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.736 -14.448 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.728 -13.064 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.519 -14.304 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.775 -15.521 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.125 -15.438 6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.384 -16.655 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.058 -16.619 5.335 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.106 -15.244 0.538 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.945 -15.142 -0.650 1.00 0.00 C ATOM 1437 C TYR A 90 -2.390 -14.829 -0.272 1.00 0.00 C ATOM 1438 O TYR A 90 -2.937 -13.799 -0.669 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.888 -16.443 -1.453 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.390 -16.302 -2.873 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.734 -16.068 -3.135 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.519 -16.402 -3.951 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.197 -15.939 -4.430 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -0.973 -16.272 -5.249 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.313 -16.041 -5.484 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.769 -15.912 -6.776 1.00 0.00 O ATOM 0 H TYR A 90 0.210 -16.190 0.752 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.564 -14.326 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.141 -16.802 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.480 -17.202 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.429 -15.986 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.530 -16.584 -3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.246 -15.759 -4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.283 -16.351 -6.076 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.019 -16.009 -7.399 1.00 0.00 H new ATOM 1456 N ARG A 91 -3.001 -15.722 0.497 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.382 -15.543 0.929 1.00 0.00 C ATOM 1458 C ARG A 91 -4.558 -14.207 1.645 1.00 0.00 C ATOM 1459 O ARG A 91 -5.586 -13.546 1.502 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.803 -16.687 1.852 1.00 0.00 C ATOM 1461 CG ARG A 91 -5.033 -18.003 1.126 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.922 -19.188 2.072 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.195 -19.491 2.722 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.383 -20.539 3.517 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.386 -21.380 3.758 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -7.570 -20.747 4.071 1.00 0.00 N ATOM 0 H ARG A 91 -2.562 -16.578 0.835 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.017 -15.548 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.035 -16.831 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.718 -16.404 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.020 -17.997 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.305 -18.108 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.580 -20.063 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.169 -18.977 2.831 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.982 -18.864 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.472 -21.223 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.533 -22.184 4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.339 -20.102 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.714 -21.552 4.681 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.548 -13.816 2.414 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.590 -12.559 3.151 1.00 0.00 C ATOM 1482 C ALA A 92 -3.618 -11.366 2.200 1.00 0.00 C ATOM 1483 O ALA A 92 -4.381 -10.421 2.398 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.398 -12.458 4.091 1.00 0.00 C ATOM 0 H ALA A 92 -2.690 -14.352 2.543 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.506 -12.543 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.442 -11.514 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.422 -13.286 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.475 -12.501 3.513 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.783 -11.419 1.168 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.713 -10.343 0.186 1.00 0.00 C ATOM 1492 C ALA A 93 -4.049 -10.167 -0.529 1.00 0.00 C ATOM 1493 O ALA A 93 -4.503 -9.044 -0.750 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.606 -10.617 -0.819 1.00 0.00 C ATOM 0 H ALA A 93 -2.146 -12.195 0.990 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.487 -9.416 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.565 -9.806 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.651 -10.686 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.807 -11.556 -1.334 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.673 -11.283 -0.891 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.957 -11.251 -1.582 1.00 0.00 C ATOM 1502 C VAL A 94 -6.984 -10.442 -0.798 1.00 0.00 C ATOM 1503 O VAL A 94 -7.739 -9.657 -1.371 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.506 -12.672 -1.810 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.976 -12.620 -2.201 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.689 -13.395 -2.870 1.00 0.00 C ATOM 0 H VAL A 94 -4.311 -12.221 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.785 -10.775 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.422 -13.229 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.347 -13.633 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.548 -12.144 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.088 -12.046 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.091 -14.397 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.739 -12.842 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.651 -13.465 -2.545 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.004 -10.636 0.517 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.938 -9.925 1.381 1.00 0.00 C ATOM 1518 C ARG A 95 -7.705 -8.418 1.310 1.00 0.00 C ATOM 1519 O ARG A 95 -8.597 -7.658 0.931 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.797 -10.405 2.826 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.753 -9.723 3.791 1.00 0.00 C ATOM 1522 CD ARG A 95 -8.994 -10.571 5.030 1.00 0.00 C ATOM 1523 NE ARG A 95 -8.034 -10.277 6.090 1.00 0.00 N ATOM 1524 CZ ARG A 95 -6.826 -10.826 6.160 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -6.433 -11.693 5.238 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -6.009 -10.508 7.157 1.00 0.00 N ATOM 0 H ARG A 95 -6.383 -11.280 1.007 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.949 -10.137 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.966 -11.481 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.774 -10.232 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.346 -8.755 4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.702 -9.531 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.005 -10.396 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.929 -11.626 4.765 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.305 -9.614 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.059 -11.941 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.505 -12.112 5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.309 -9.842 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.082 -10.929 7.211 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.500 -7.993 1.675 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.149 -6.577 1.652 1.00 0.00 C ATOM 1542 C LEU A 96 -6.613 -5.921 0.357 1.00 0.00 C ATOM 1543 O LEU A 96 -7.266 -4.877 0.376 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.638 -6.404 1.812 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.056 -6.800 3.170 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.538 -6.859 3.104 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.507 -5.826 4.248 1.00 0.00 C ATOM 0 H LEU A 96 -5.750 -8.608 1.990 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.655 -6.089 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.142 -6.993 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.390 -5.359 1.624 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.427 -7.792 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.142 -7.142 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.235 -7.597 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.148 -5.880 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.083 -6.123 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.166 -4.822 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.595 -5.834 4.314 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.274 -6.542 -0.769 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.657 -6.019 -2.075 1.00 0.00 C ATOM 1561 C ARG A 97 -8.172 -5.866 -2.177 1.00 0.00 C ATOM 1562 O ARG A 97 -8.671 -4.881 -2.718 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.151 -6.941 -3.186 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.610 -6.529 -4.575 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.162 -7.530 -5.629 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.565 -7.126 -6.974 1.00 0.00 N ATOM 1567 CZ ARG A 97 -5.898 -6.241 -7.705 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.801 -5.670 -7.225 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -6.327 -5.924 -8.921 1.00 0.00 N ATOM 0 H ARG A 97 -5.735 -7.407 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.201 -5.036 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.061 -6.959 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.491 -7.957 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.697 -6.445 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.210 -5.544 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.078 -7.635 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.585 -8.509 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.404 -7.547 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.468 -5.911 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.291 -4.990 -7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.170 -6.361 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.814 -5.244 -9.482 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.897 -6.849 -1.652 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.355 -6.825 -1.686 1.00 0.00 C ATOM 1585 C GLU A 98 -10.905 -5.816 -0.681 1.00 0.00 C ATOM 1586 O GLU A 98 -11.485 -4.799 -1.062 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.919 -8.215 -1.389 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.783 -9.187 -2.549 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.657 -8.810 -3.730 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -11.294 -7.863 -4.457 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -12.702 -9.464 -3.927 1.00 0.00 O ATOM 0 H GLU A 98 -8.499 -7.671 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.664 -6.523 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.408 -8.627 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.973 -8.122 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.742 -9.222 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.047 -10.189 -2.211 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.719 -6.107 0.602 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.197 -5.226 1.662 1.00 0.00 C ATOM 1600 C GLN A 99 -10.511 -3.866 1.591 1.00 0.00 C ATOM 1601 O GLN A 99 -11.171 -2.829 1.539 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.954 -5.862 3.032 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.634 -7.211 3.206 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.670 -7.663 4.652 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.654 -6.844 5.572 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.720 -8.973 4.862 1.00 0.00 N ATOM 0 H GLN A 99 -10.241 -6.945 0.933 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.268 -5.080 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.881 -5.983 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.309 -5.183 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.652 -7.153 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.110 -7.957 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.732 -9.616 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.747 -9.336 5.815 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.181 -3.878 1.589 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.428 -2.640 1.524 1.00 0.00 C ATOM 1617 C GLY A 100 -8.972 -1.683 0.481 1.00 0.00 C ATOM 1618 O GLY A 100 -8.941 -0.468 0.666 1.00 0.00 O ATOM 0 H GLY A 100 -8.612 -4.724 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.446 -2.156 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.385 -2.864 1.298 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.472 -2.235 -0.621 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.016 -1.408 -1.682 1.00 0.00 C ATOM 1624 C GLY A 101 -11.003 -0.380 -1.167 1.00 0.00 C ATOM 1625 O GLY A 101 -10.994 0.771 -1.603 1.00 0.00 O ATOM 0 H GLY A 101 -9.510 -3.239 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.201 -0.899 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.509 -2.044 -2.418 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.858 -0.794 -0.238 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.855 0.099 0.336 1.00 0.00 C ATOM 1631 C ALA A 102 -12.193 1.250 1.089 1.00 0.00 C ATOM 1632 O ALA A 102 -12.779 2.320 1.246 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.785 -0.672 1.260 1.00 0.00 C ATOM 0 H ALA A 102 -11.880 -1.744 0.133 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.440 0.522 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.525 0.008 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.292 -1.455 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.206 -1.123 2.066 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.969 1.020 1.552 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.227 2.037 2.288 1.00 0.00 C ATOM 1641 C VAL A 103 -9.622 3.068 1.341 1.00 0.00 C ATOM 1642 O VAL A 103 -9.599 4.263 1.639 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.102 1.410 3.133 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.282 2.493 3.818 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.680 0.441 4.154 1.00 0.00 C ATOM 0 H VAL A 103 -10.470 0.139 1.431 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.938 2.530 2.952 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.441 0.852 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.492 2.031 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.838 3.144 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.928 3.081 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.871 0.007 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.364 0.974 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.219 -0.353 3.637 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.133 2.598 0.198 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.528 3.480 -0.793 1.00 0.00 C ATOM 1657 C LEU A 104 -9.597 4.203 -1.605 1.00 0.00 C ATOM 1658 O LEU A 104 -9.318 5.201 -2.271 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.617 2.680 -1.728 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.360 2.086 -1.092 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.763 1.013 -1.990 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.337 3.178 -0.811 1.00 0.00 C ATOM 0 H LEU A 104 -9.144 1.612 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.934 4.225 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.199 1.867 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.313 3.329 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.639 1.624 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.869 0.602 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.493 0.217 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.499 1.450 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.449 2.737 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.063 3.669 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.766 3.911 -0.128 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.824 3.695 -1.543 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.936 4.292 -2.272 1.00 0.00 C ATOM 1676 C ARG A 105 -12.627 5.359 -1.428 1.00 0.00 C ATOM 1677 O ARG A 105 -13.026 6.406 -1.939 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.944 3.216 -2.679 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.543 2.445 -3.925 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.669 1.549 -4.414 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.919 0.436 -3.501 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.930 -0.413 -3.637 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -15.782 -0.280 -4.645 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -15.092 -1.400 -2.765 1.00 0.00 N ATOM 0 H ARG A 105 -11.073 2.871 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.538 4.764 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.068 2.516 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.914 3.684 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.266 3.145 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.662 1.840 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.579 2.138 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.420 1.159 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.281 0.304 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.661 0.476 -5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.558 -0.934 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.439 -1.507 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.870 -2.052 -2.871 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.768 5.085 -0.135 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.412 6.021 0.779 1.00 0.00 C ATOM 1700 C GLN A 106 -12.543 7.256 0.995 1.00 0.00 C ATOM 1701 O GLN A 106 -13.052 8.347 1.251 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.699 5.342 2.119 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.485 5.263 3.032 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.134 6.600 3.654 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.014 7.359 4.061 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -10.841 6.896 3.731 1.00 0.00 N ATOM 0 H GLN A 106 -12.445 4.222 0.303 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.354 6.337 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.493 5.886 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.071 4.334 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.677 4.538 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.631 4.896 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.145 6.237 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.544 7.782 4.140 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.230 7.075 0.893 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.292 8.175 1.076 1.00 0.00 C ATOM 1717 C ALA A 107 -10.092 8.949 -0.223 1.00 0.00 C ATOM 1718 O ALA A 107 -9.816 10.149 -0.205 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.959 7.650 1.590 1.00 0.00 C ATOM 0 H ALA A 107 -10.793 6.177 0.685 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.711 8.859 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.267 8.482 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.110 7.148 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.544 6.944 0.871 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.233 8.255 -1.347 1.00 0.00 N ATOM 1726 CA ARG A 108 -10.067 8.877 -2.655 1.00 0.00 C ATOM 1727 C ARG A 108 -10.913 10.142 -2.767 1.00 0.00 C ATOM 1728 O ARG A 108 -10.451 11.168 -3.264 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.448 7.894 -3.763 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.912 8.281 -5.132 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.787 7.734 -6.249 1.00 0.00 C ATOM 1732 NE ARG A 108 -10.631 6.292 -6.410 1.00 0.00 N ATOM 1733 CZ ARG A 108 -11.430 5.546 -7.165 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -12.435 6.103 -7.826 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -11.225 4.238 -7.260 1.00 0.00 N ATOM 0 H ARG A 108 -10.462 7.262 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.018 9.152 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.074 6.904 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.534 7.821 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.859 9.367 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.896 7.903 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.831 7.964 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.534 8.233 -7.185 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.867 5.832 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.597 7.108 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.046 5.527 -8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.453 3.805 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.839 3.666 -7.840 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.156 10.058 -2.303 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.067 11.195 -2.353 1.00 0.00 C ATOM 1751 C ARG A 109 -12.477 12.398 -1.623 1.00 0.00 C ATOM 1752 O ARG A 109 -12.644 13.540 -2.051 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.417 10.822 -1.735 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.368 10.650 -0.226 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.475 9.730 0.265 1.00 0.00 C ATOM 1756 NE ARG A 109 -15.871 10.034 1.638 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.591 9.213 2.395 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -16.992 8.044 1.914 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -16.912 9.561 3.634 1.00 0.00 N ATOM 0 H ARG A 109 -12.555 9.215 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.215 11.463 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.146 11.594 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.770 9.895 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.399 10.243 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.462 11.623 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.341 9.822 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.139 8.695 0.205 1.00 0.00 H new ATOM 0 HE ARG A 109 -15.579 10.926 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.748 7.774 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.545 7.415 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.606 10.460 4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.465 8.930 4.214 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.787 12.133 -0.518 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.174 13.194 0.271 1.00 0.00 C ATOM 1775 C GLN A 110 -10.075 13.896 -0.520 1.00 0.00 C ATOM 1776 O GLN A 110 -10.078 15.120 -0.654 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.599 12.625 1.570 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.616 11.858 2.400 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.275 11.851 3.878 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -10.981 10.804 4.454 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.316 13.023 4.500 1.00 0.00 N ATOM 0 H GLN A 110 -11.639 11.193 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.946 13.925 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.766 11.965 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.196 13.442 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.602 12.301 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.674 10.831 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.565 13.866 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.099 13.080 5.495 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.137 13.114 -1.042 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.033 13.661 -1.821 1.00 0.00 C ATOM 1792 C ALA A 111 -8.546 14.528 -2.966 1.00 0.00 C ATOM 1793 O ALA A 111 -7.794 15.306 -3.552 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.159 12.537 -2.359 1.00 0.00 C ATOM 0 H ALA A 111 -9.119 12.099 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.433 14.290 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.339 12.960 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.756 11.960 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.756 11.885 -2.997 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.831 14.389 -3.278 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.442 15.160 -4.354 1.00 0.00 C ATOM 1802 C GLU A 112 -11.252 16.327 -3.795 1.00 0.00 C ATOM 1803 O GLU A 112 -11.257 17.421 -4.360 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.343 14.264 -5.206 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.599 13.129 -5.891 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.238 12.722 -7.205 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.078 13.464 -8.196 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.898 11.663 -7.241 1.00 0.00 O ATOM 0 H GLU A 112 -10.468 13.751 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.643 15.559 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.126 13.845 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.836 14.874 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.568 13.432 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.566 12.267 -5.225 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.934 16.087 -2.681 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.746 17.115 -2.043 1.00 0.00 C ATOM 1817 C LYS A 113 -11.882 18.285 -1.587 1.00 0.00 C ATOM 1818 O LYS A 113 -12.377 19.394 -1.387 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.503 16.529 -0.848 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.731 16.609 0.458 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.538 16.051 1.618 1.00 0.00 C ATOM 1822 CE LYS A 113 -12.847 16.299 2.950 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.036 17.699 3.422 1.00 0.00 N ATOM 0 H LYS A 113 -11.940 15.187 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.465 17.481 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.450 17.057 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.742 15.486 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.797 16.055 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.467 17.647 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.526 16.510 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.686 14.980 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.239 15.608 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.782 16.090 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.550 17.827 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.639 18.358 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.051 17.891 3.542 1.00 0.00 H new ATOM 1837 N MET A 114 -10.587 18.032 -1.425 1.00 0.00 N ATOM 1838 CA MET A 114 -9.654 19.067 -0.995 1.00 0.00 C ATOM 1839 C MET A 114 -9.818 20.330 -1.833 1.00 0.00 C ATOM 1840 O MET A 114 -9.831 21.440 -1.304 1.00 0.00 O ATOM 1841 CB MET A 114 -8.214 18.558 -1.095 1.00 0.00 C ATOM 1842 CG MET A 114 -7.985 17.238 -0.378 1.00 0.00 C ATOM 1843 SD MET A 114 -6.295 17.058 0.225 1.00 0.00 S ATOM 1844 CE MET A 114 -6.518 15.814 1.493 1.00 0.00 C ATOM 0 H MET A 114 -10.160 17.119 -1.585 1.00 0.00 H new ATOM 0 HA MET A 114 -9.875 19.311 0.044 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.951 18.441 -2.146 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.542 19.309 -0.680 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.676 17.160 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.214 16.416 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.943 16.089 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.574 15.745 1.753 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.172 14.849 1.121 1.00 0.00 H new