USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0874 (180deg=-0.621) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 131:sc= -0.863 (180deg=-3.27!) USER MOD Single : A 25 MET CE :methyl -165:sc= -2.2 (180deg=-2.93) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 28 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.4!) USER MOD Single : A 34 MET CE :methyl 153:sc= -1.7 (180deg=-3.69!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.0026) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 82:sc= 0.849 USER MOD Single : A 51 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.5) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 60 SER OG : rot -44:sc= 0.512 USER MOD Single : A 64 ASN : amide:sc= 0.11 X(o=0.11,f=-0.0048) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -1.09 (180deg=-3.32!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.397 -0.210 0.125 1.00 32.42 N ATOM 2 CA MET A 1 2.329 0.350 -0.846 1.00 24.11 C ATOM 3 C MET A 1 3.767 -0.022 -0.496 1.00 50.31 C ATOM 4 O MET A 1 4.459 0.721 0.201 1.00 61.32 O ATOM 5 CB MET A 1 2.184 1.872 -0.906 1.00 32.33 C ATOM 6 CG MET A 1 0.801 2.333 -1.335 1.00 14.42 C ATOM 7 SD MET A 1 0.787 3.035 -2.996 1.00 13.14 S ATOM 8 CE MET A 1 -0.880 3.687 -3.074 1.00 4.54 C ATOM 0 H1 MET A 1 0.498 -0.435 -0.347 1.00 32.42 H new ATOM 0 H2 MET A 1 1.801 -1.077 0.533 1.00 32.42 H new ATOM 0 H3 MET A 1 1.227 0.482 0.882 1.00 32.42 H new ATOM 0 HA MET A 1 2.091 -0.069 -1.824 1.00 24.11 H new ATOM 0 HB2 MET A 1 2.409 2.289 0.075 1.00 32.33 H new ATOM 0 HB3 MET A 1 2.923 2.272 -1.600 1.00 32.33 H new ATOM 0 HG2 MET A 1 0.112 1.489 -1.296 1.00 14.42 H new ATOM 0 HG3 MET A 1 0.434 3.077 -0.627 1.00 14.42 H new ATOM 0 HE1 MET A 1 -1.043 4.155 -4.045 1.00 4.54 H new ATOM 0 HE2 MET A 1 -1.595 2.875 -2.938 1.00 4.54 H new ATOM 0 HE3 MET A 1 -1.018 4.428 -2.287 1.00 4.54 H new ATOM 18 N LYS A 2 4.211 -1.175 -0.984 1.00 35.32 N ATOM 19 CA LYS A 2 5.566 -1.646 -0.724 1.00 51.30 C ATOM 20 C LYS A 2 6.038 -2.584 -1.830 1.00 75.22 C ATOM 21 O LYS A 2 6.846 -3.482 -1.593 1.00 33.04 O ATOM 22 CB LYS A 2 5.629 -2.361 0.628 1.00 44.25 C ATOM 23 CG LYS A 2 4.501 -3.354 0.844 1.00 62.44 C ATOM 24 CD LYS A 2 4.528 -3.932 2.249 1.00 51.31 C ATOM 25 CE LYS A 2 3.915 -5.323 2.292 1.00 54.13 C ATOM 26 NZ LYS A 2 3.763 -5.819 3.687 1.00 31.44 N ATOM 0 H LYS A 2 3.651 -1.801 -1.563 1.00 35.32 H new ATOM 0 HA LYS A 2 6.227 -0.779 -0.701 1.00 51.30 H new ATOM 0 HB2 LYS A 2 6.582 -2.883 0.709 1.00 44.25 H new ATOM 0 HB3 LYS A 2 5.604 -1.617 1.424 1.00 44.25 H new ATOM 0 HG2 LYS A 2 3.544 -2.862 0.670 1.00 62.44 H new ATOM 0 HG3 LYS A 2 4.581 -4.161 0.116 1.00 62.44 H new ATOM 0 HD2 LYS A 2 5.557 -3.976 2.606 1.00 51.31 H new ATOM 0 HD3 LYS A 2 3.984 -3.273 2.925 1.00 51.31 H new ATOM 0 HE2 LYS A 2 2.940 -5.305 1.805 1.00 54.13 H new ATOM 0 HE3 LYS A 2 4.541 -6.014 1.727 1.00 54.13 H new ATOM 0 HZ1 LYS A 2 3.342 -6.770 3.673 1.00 31.44 H new ATOM 0 HZ2 LYS A 2 4.696 -5.860 4.144 1.00 31.44 H new ATOM 0 HZ3 LYS A 2 3.145 -5.174 4.219 1.00 31.44 H new ATOM 40 N ARG A 3 5.529 -2.370 -3.039 1.00 13.50 N ATOM 41 CA ARG A 3 5.898 -3.196 -4.181 1.00 65.34 C ATOM 42 C ARG A 3 6.023 -2.352 -5.446 1.00 45.41 C ATOM 43 O ARG A 3 5.543 -1.219 -5.499 1.00 73.41 O ATOM 44 CB ARG A 3 4.863 -4.302 -4.394 1.00 61.22 C ATOM 45 CG ARG A 3 3.449 -3.782 -4.596 1.00 63.02 C ATOM 46 CD ARG A 3 2.625 -3.902 -3.324 1.00 54.32 C ATOM 47 NE ARG A 3 1.487 -4.802 -3.492 1.00 23.51 N ATOM 48 CZ ARG A 3 0.484 -4.888 -2.626 1.00 55.11 C ATOM 49 NH1 ARG A 3 0.476 -4.131 -1.538 1.00 1.41 N ATOM 50 NH2 ARG A 3 -0.516 -5.732 -2.848 1.00 40.14 N ATOM 0 H ARG A 3 4.859 -1.631 -3.252 1.00 13.50 H new ATOM 0 HA ARG A 3 6.867 -3.649 -3.970 1.00 65.34 H new ATOM 0 HB2 ARG A 3 5.151 -4.895 -5.262 1.00 61.22 H new ATOM 0 HB3 ARG A 3 4.876 -4.971 -3.533 1.00 61.22 H new ATOM 0 HG2 ARG A 3 3.485 -2.739 -4.910 1.00 63.02 H new ATOM 0 HG3 ARG A 3 2.966 -4.340 -5.398 1.00 63.02 H new ATOM 0 HD2 ARG A 3 3.258 -4.266 -2.515 1.00 54.32 H new ATOM 0 HD3 ARG A 3 2.267 -2.916 -3.030 1.00 54.32 H new ATOM 0 HE ARG A 3 1.461 -5.397 -4.320 1.00 23.51 H new ATOM 0 HH11 ARG A 3 1.242 -3.480 -1.364 1.00 1.41 H new ATOM 0 HH12 ARG A 3 -0.296 -4.199 -0.875 1.00 1.41 H new ATOM 0 HH21 ARG A 3 -0.515 -6.316 -3.685 1.00 40.14 H new ATOM 0 HH22 ARG A 3 -1.286 -5.797 -2.182 1.00 40.14 H new ATOM 64 N PHE A 4 6.673 -2.910 -6.462 1.00 53.24 N ATOM 65 CA PHE A 4 6.862 -2.208 -7.726 1.00 44.34 C ATOM 66 C PHE A 4 6.562 -3.125 -8.908 1.00 41.24 C ATOM 67 O PHE A 4 7.215 -4.152 -9.093 1.00 4.04 O ATOM 68 CB PHE A 4 8.294 -1.677 -7.829 1.00 53.42 C ATOM 69 CG PHE A 4 8.368 -0.221 -8.191 1.00 2.42 C ATOM 70 CD1 PHE A 4 7.663 0.724 -7.463 1.00 4.42 C ATOM 71 CD2 PHE A 4 9.143 0.203 -9.258 1.00 65.01 C ATOM 72 CE1 PHE A 4 7.730 2.065 -7.794 1.00 33.41 C ATOM 73 CE2 PHE A 4 9.214 1.542 -9.594 1.00 30.03 C ATOM 74 CZ PHE A 4 8.507 2.474 -8.860 1.00 11.11 C ATOM 0 H PHE A 4 7.078 -3.846 -6.435 1.00 53.24 H new ATOM 0 HA PHE A 4 6.167 -1.369 -7.754 1.00 44.34 H new ATOM 0 HB2 PHE A 4 8.800 -1.833 -6.876 1.00 53.42 H new ATOM 0 HB3 PHE A 4 8.835 -2.257 -8.576 1.00 53.42 H new ATOM 0 HD1 PHE A 4 7.054 0.410 -6.628 1.00 4.42 H new ATOM 0 HD2 PHE A 4 9.699 -0.522 -9.835 1.00 65.01 H new ATOM 0 HE1 PHE A 4 7.175 2.792 -7.219 1.00 33.41 H new ATOM 0 HE2 PHE A 4 9.821 1.859 -10.429 1.00 30.03 H new ATOM 0 HZ PHE A 4 8.562 3.521 -9.119 1.00 11.11 H new ATOM 84 N ASP A 5 5.569 -2.746 -9.706 1.00 23.34 N ATOM 85 CA ASP A 5 5.182 -3.533 -10.870 1.00 75.44 C ATOM 86 C ASP A 5 5.962 -3.096 -12.106 1.00 53.21 C ATOM 87 O ASP A 5 5.663 -2.064 -12.709 1.00 72.22 O ATOM 88 CB ASP A 5 3.680 -3.399 -11.126 1.00 74.23 C ATOM 89 CG ASP A 5 2.950 -4.722 -11.001 1.00 65.53 C ATOM 90 OD1 ASP A 5 2.786 -5.204 -9.861 1.00 20.33 O ATOM 91 OD2 ASP A 5 2.543 -5.276 -12.044 1.00 5.11 O ATOM 0 H ASP A 5 5.018 -1.899 -9.567 1.00 23.34 H new ATOM 0 HA ASP A 5 5.416 -4.578 -10.666 1.00 75.44 H new ATOM 0 HB2 ASP A 5 3.256 -2.686 -10.419 1.00 74.23 H new ATOM 0 HB3 ASP A 5 3.520 -2.992 -12.124 1.00 74.23 H new ATOM 96 N LEU A 6 6.963 -3.886 -12.477 1.00 43.53 N ATOM 97 CA LEU A 6 7.788 -3.579 -13.641 1.00 61.51 C ATOM 98 C LEU A 6 7.356 -4.406 -14.848 1.00 35.33 C ATOM 99 O LEU A 6 8.009 -4.389 -15.891 1.00 23.53 O ATOM 100 CB LEU A 6 9.262 -3.843 -13.330 1.00 23.44 C ATOM 101 CG LEU A 6 9.964 -2.794 -12.466 1.00 61.44 C ATOM 102 CD1 LEU A 6 9.823 -1.413 -13.086 1.00 2.55 C ATOM 103 CD2 LEU A 6 9.404 -2.807 -11.052 1.00 1.55 C ATOM 0 H LEU A 6 7.223 -4.743 -11.990 1.00 43.53 H new ATOM 0 HA LEU A 6 7.656 -2.524 -13.880 1.00 61.51 H new ATOM 0 HB2 LEU A 6 9.340 -4.808 -12.829 1.00 23.44 H new ATOM 0 HB3 LEU A 6 9.802 -3.928 -14.273 1.00 23.44 H new ATOM 0 HG LEU A 6 11.025 -3.041 -12.416 1.00 61.44 H new ATOM 0 HD11 LEU A 6 10.328 -0.679 -12.458 1.00 2.55 H new ATOM 0 HD12 LEU A 6 10.273 -1.412 -14.079 1.00 2.55 H new ATOM 0 HD13 LEU A 6 8.767 -1.156 -13.166 1.00 2.55 H new ATOM 0 HD21 LEU A 6 9.915 -2.055 -10.451 1.00 1.55 H new ATOM 0 HD22 LEU A 6 8.337 -2.585 -11.081 1.00 1.55 H new ATOM 0 HD23 LEU A 6 9.558 -3.791 -10.609 1.00 1.55 H new ATOM 115 N ARG A 7 6.249 -5.127 -14.699 1.00 20.25 N ATOM 116 CA ARG A 7 5.729 -5.960 -15.776 1.00 55.33 C ATOM 117 C ARG A 7 5.633 -5.168 -17.077 1.00 41.12 C ATOM 118 O ARG A 7 6.258 -5.503 -18.084 1.00 34.21 O ATOM 119 CB ARG A 7 4.353 -6.514 -15.402 1.00 73.12 C ATOM 120 CG ARG A 7 4.331 -8.024 -15.231 1.00 34.22 C ATOM 121 CD ARG A 7 3.114 -8.477 -14.438 1.00 64.12 C ATOM 122 NE ARG A 7 2.181 -9.243 -15.259 1.00 34.51 N ATOM 123 CZ ARG A 7 1.058 -9.777 -14.791 1.00 14.21 C ATOM 124 NH1 ARG A 7 0.730 -9.627 -13.515 1.00 24.42 N ATOM 125 NH2 ARG A 7 0.259 -10.461 -15.600 1.00 51.22 N ATOM 0 H ARG A 7 5.695 -5.151 -13.843 1.00 20.25 H new ATOM 0 HA ARG A 7 6.419 -6.790 -15.925 1.00 55.33 H new ATOM 0 HB2 ARG A 7 4.022 -6.047 -14.474 1.00 73.12 H new ATOM 0 HB3 ARG A 7 3.636 -6.234 -16.173 1.00 73.12 H new ATOM 0 HG2 ARG A 7 4.327 -8.502 -16.210 1.00 34.22 H new ATOM 0 HG3 ARG A 7 5.239 -8.347 -14.722 1.00 34.22 H new ATOM 0 HD2 ARG A 7 3.437 -9.085 -13.593 1.00 64.12 H new ATOM 0 HD3 ARG A 7 2.604 -7.606 -14.027 1.00 64.12 H new ATOM 0 HE ARG A 7 2.403 -9.375 -16.246 1.00 34.51 H new ATOM 0 HH11 ARG A 7 1.340 -9.101 -12.890 1.00 24.42 H new ATOM 0 HH12 ARG A 7 -0.133 -10.038 -13.158 1.00 24.42 H new ATOM 0 HH21 ARG A 7 0.507 -10.577 -16.583 1.00 51.22 H new ATOM 0 HH22 ARG A 7 -0.603 -10.870 -15.239 1.00 51.22 H new ATOM 139 N PRO A 8 4.833 -4.092 -17.058 1.00 54.10 N ATOM 140 CA PRO A 8 4.636 -3.230 -18.228 1.00 24.24 C ATOM 141 C PRO A 8 5.882 -2.419 -18.565 1.00 44.24 C ATOM 142 O PRO A 8 5.948 -1.769 -19.610 1.00 3.34 O ATOM 143 CB PRO A 8 3.495 -2.304 -17.799 1.00 24.34 C ATOM 144 CG PRO A 8 3.572 -2.273 -16.311 1.00 72.12 C ATOM 145 CD PRO A 8 4.058 -3.633 -15.893 1.00 32.22 C ATOM 0 HA PRO A 8 4.419 -3.806 -19.127 1.00 24.24 H new ATOM 0 HB2 PRO A 8 3.614 -1.307 -18.223 1.00 24.34 H new ATOM 0 HB3 PRO A 8 2.530 -2.681 -18.138 1.00 24.34 H new ATOM 0 HG2 PRO A 8 4.254 -1.494 -15.972 1.00 72.12 H new ATOM 0 HG3 PRO A 8 2.597 -2.056 -15.874 1.00 72.12 H new ATOM 0 HD2 PRO A 8 4.675 -3.581 -14.996 1.00 32.22 H new ATOM 0 HD3 PRO A 8 3.229 -4.305 -15.672 1.00 32.22 H new ATOM 153 N LEU A 9 6.869 -2.461 -17.677 1.00 10.12 N ATOM 154 CA LEU A 9 8.115 -1.730 -17.881 1.00 54.43 C ATOM 155 C LEU A 9 9.097 -2.548 -18.713 1.00 75.32 C ATOM 156 O LEU A 9 9.217 -3.761 -18.537 1.00 12.25 O ATOM 157 CB LEU A 9 8.745 -1.370 -16.535 1.00 20.54 C ATOM 158 CG LEU A 9 8.623 0.092 -16.105 1.00 33.11 C ATOM 159 CD1 LEU A 9 7.681 0.222 -14.918 1.00 2.43 C ATOM 160 CD2 LEU A 9 9.992 0.665 -15.768 1.00 35.01 C ATOM 0 H LEU A 9 6.831 -2.994 -16.808 1.00 10.12 H new ATOM 0 HA LEU A 9 7.884 -0.813 -18.423 1.00 54.43 H new ATOM 0 HB2 LEU A 9 8.290 -1.993 -15.765 1.00 20.54 H new ATOM 0 HB3 LEU A 9 9.803 -1.630 -16.571 1.00 20.54 H new ATOM 0 HG LEU A 9 8.208 0.662 -16.936 1.00 33.11 H new ATOM 0 HD11 LEU A 9 7.606 1.269 -14.626 1.00 2.43 H new ATOM 0 HD12 LEU A 9 6.694 -0.149 -15.194 1.00 2.43 H new ATOM 0 HD13 LEU A 9 8.067 -0.361 -14.082 1.00 2.43 H new ATOM 0 HD21 LEU A 9 9.886 1.706 -15.464 1.00 35.01 H new ATOM 0 HD22 LEU A 9 10.435 0.093 -14.953 1.00 35.01 H new ATOM 0 HD23 LEU A 9 10.637 0.607 -16.645 1.00 35.01 H new ATOM 172 N LYS A 10 9.799 -1.877 -19.620 1.00 31.32 N ATOM 173 CA LYS A 10 10.774 -2.541 -20.477 1.00 53.55 C ATOM 174 C LYS A 10 12.065 -2.824 -19.716 1.00 13.10 C ATOM 175 O LYS A 10 12.325 -2.225 -18.673 1.00 21.32 O ATOM 176 CB LYS A 10 11.073 -1.679 -21.706 1.00 54.51 C ATOM 177 CG LYS A 10 11.938 -0.468 -21.404 1.00 5.23 C ATOM 178 CD LYS A 10 12.154 0.387 -22.641 1.00 62.24 C ATOM 179 CE LYS A 10 10.950 1.272 -22.924 1.00 61.14 C ATOM 180 NZ LYS A 10 11.315 2.458 -23.747 1.00 10.51 N ATOM 0 H LYS A 10 9.711 -0.874 -19.781 1.00 31.32 H new ATOM 0 HA LYS A 10 10.348 -3.491 -20.801 1.00 53.55 H new ATOM 0 HB2 LYS A 10 11.571 -2.292 -22.457 1.00 54.51 H new ATOM 0 HB3 LYS A 10 10.132 -1.343 -22.141 1.00 54.51 H new ATOM 0 HG2 LYS A 10 11.467 0.131 -20.625 1.00 5.23 H new ATOM 0 HG3 LYS A 10 12.902 -0.796 -21.015 1.00 5.23 H new ATOM 0 HD2 LYS A 10 13.039 1.008 -22.505 1.00 62.24 H new ATOM 0 HD3 LYS A 10 12.344 -0.256 -23.500 1.00 62.24 H new ATOM 0 HE2 LYS A 10 10.186 0.692 -23.442 1.00 61.14 H new ATOM 0 HE3 LYS A 10 10.514 1.604 -21.982 1.00 61.14 H new ATOM 0 HZ1 LYS A 10 10.467 3.036 -23.918 1.00 10.51 H new ATOM 0 HZ2 LYS A 10 12.025 3.026 -23.242 1.00 10.51 H new ATOM 0 HZ3 LYS A 10 11.708 2.142 -24.657 1.00 10.51 H new ATOM 194 N ALA A 11 12.870 -3.739 -20.245 1.00 72.24 N ATOM 195 CA ALA A 11 14.135 -4.099 -19.617 1.00 40.32 C ATOM 196 C ALA A 11 15.158 -2.977 -19.761 1.00 14.43 C ATOM 197 O ALA A 11 15.173 -2.262 -20.762 1.00 65.42 O ATOM 198 CB ALA A 11 14.675 -5.388 -20.218 1.00 42.24 C ATOM 0 H ALA A 11 12.668 -4.245 -21.108 1.00 72.24 H new ATOM 0 HA ALA A 11 13.953 -4.255 -18.554 1.00 40.32 H new ATOM 0 HB1 ALA A 11 15.620 -5.645 -19.739 1.00 42.24 H new ATOM 0 HB2 ALA A 11 13.957 -6.193 -20.058 1.00 42.24 H new ATOM 0 HB3 ALA A 11 14.835 -5.252 -21.288 1.00 42.24 H new ATOM 204 N GLY A 12 16.011 -2.827 -18.752 1.00 14.43 N ATOM 205 CA GLY A 12 17.024 -1.789 -18.785 1.00 42.43 C ATOM 206 C GLY A 12 16.694 -0.626 -17.871 1.00 12.22 C ATOM 207 O GLY A 12 17.563 -0.119 -17.161 1.00 64.04 O ATOM 0 H GLY A 12 16.018 -3.406 -17.912 1.00 14.43 H new ATOM 0 HA2 GLY A 12 17.985 -2.214 -18.494 1.00 42.43 H new ATOM 0 HA3 GLY A 12 17.133 -1.425 -19.806 1.00 42.43 H new ATOM 211 N ILE A 13 15.435 -0.201 -17.888 1.00 10.11 N ATOM 212 CA ILE A 13 14.993 0.910 -17.054 1.00 72.02 C ATOM 213 C ILE A 13 14.269 0.409 -15.809 1.00 61.31 C ATOM 214 O ILE A 13 14.275 1.066 -14.768 1.00 32.42 O ATOM 215 CB ILE A 13 14.060 1.859 -17.829 1.00 51.13 C ATOM 216 CG1 ILE A 13 14.660 2.196 -19.196 1.00 4.44 C ATOM 217 CG2 ILE A 13 13.809 3.127 -17.027 1.00 42.31 C ATOM 218 CD1 ILE A 13 13.793 3.117 -20.026 1.00 65.52 C ATOM 0 H ILE A 13 14.703 -0.609 -18.470 1.00 10.11 H new ATOM 0 HA ILE A 13 15.888 1.456 -16.756 1.00 72.02 H new ATOM 0 HB ILE A 13 13.105 1.357 -17.986 1.00 51.13 H new ATOM 0 HG12 ILE A 13 15.635 2.661 -19.051 1.00 4.44 H new ATOM 0 HG13 ILE A 13 14.827 1.271 -19.749 1.00 4.44 H new ATOM 0 HG21 ILE A 13 13.148 3.788 -17.588 1.00 42.31 H new ATOM 0 HG22 ILE A 13 13.343 2.870 -16.076 1.00 42.31 H new ATOM 0 HG23 ILE A 13 14.756 3.634 -16.842 1.00 42.31 H new ATOM 0 HD11 ILE A 13 14.280 3.313 -20.981 1.00 65.52 H new ATOM 0 HD12 ILE A 13 12.826 2.646 -20.202 1.00 65.52 H new ATOM 0 HD13 ILE A 13 13.647 4.057 -19.494 1.00 65.52 H new ATOM 230 N PHE A 14 13.648 -0.760 -15.923 1.00 74.40 N ATOM 231 CA PHE A 14 12.920 -1.351 -14.806 1.00 74.21 C ATOM 232 C PHE A 14 13.840 -1.563 -13.608 1.00 3.12 C ATOM 233 O PHE A 14 13.392 -1.569 -12.462 1.00 3.41 O ATOM 234 CB PHE A 14 12.295 -2.684 -15.225 1.00 15.41 C ATOM 235 CG PHE A 14 13.264 -3.831 -15.211 1.00 52.15 C ATOM 236 CD1 PHE A 14 14.414 -3.792 -15.983 1.00 21.43 C ATOM 237 CD2 PHE A 14 13.024 -4.948 -14.428 1.00 21.31 C ATOM 238 CE1 PHE A 14 15.308 -4.846 -15.972 1.00 63.44 C ATOM 239 CE2 PHE A 14 13.915 -6.005 -14.413 1.00 52.11 C ATOM 240 CZ PHE A 14 15.058 -5.955 -15.187 1.00 54.52 C ATOM 0 H PHE A 14 13.634 -1.317 -16.777 1.00 74.40 H new ATOM 0 HA PHE A 14 12.128 -0.661 -14.516 1.00 74.21 H new ATOM 0 HB2 PHE A 14 11.464 -2.912 -14.557 1.00 15.41 H new ATOM 0 HB3 PHE A 14 11.879 -2.582 -16.228 1.00 15.41 H new ATOM 0 HD1 PHE A 14 14.614 -2.929 -16.600 1.00 21.43 H new ATOM 0 HD2 PHE A 14 12.131 -4.994 -13.822 1.00 21.31 H new ATOM 0 HE1 PHE A 14 16.202 -4.803 -16.577 1.00 63.44 H new ATOM 0 HE2 PHE A 14 13.717 -6.869 -13.796 1.00 52.11 H new ATOM 0 HZ PHE A 14 15.754 -6.781 -15.179 1.00 54.52 H new ATOM 250 N GLU A 15 15.129 -1.737 -13.883 1.00 2.11 N ATOM 251 CA GLU A 15 16.113 -1.950 -12.828 1.00 33.43 C ATOM 252 C GLU A 15 16.554 -0.623 -12.218 1.00 53.22 C ATOM 253 O GLU A 15 16.993 -0.571 -11.069 1.00 45.45 O ATOM 254 CB GLU A 15 17.328 -2.701 -13.377 1.00 11.33 C ATOM 255 CG GLU A 15 18.471 -2.819 -12.382 1.00 53.23 C ATOM 256 CD GLU A 15 19.649 -1.934 -12.740 1.00 61.12 C ATOM 257 OE1 GLU A 15 20.347 -2.247 -13.727 1.00 61.43 O ATOM 258 OE2 GLU A 15 19.874 -0.929 -12.034 1.00 34.44 O ATOM 0 H GLU A 15 15.516 -1.735 -14.827 1.00 2.11 H new ATOM 0 HA GLU A 15 15.646 -2.551 -12.047 1.00 33.43 H new ATOM 0 HB2 GLU A 15 17.019 -3.701 -13.683 1.00 11.33 H new ATOM 0 HB3 GLU A 15 17.687 -2.191 -14.271 1.00 11.33 H new ATOM 0 HG2 GLU A 15 18.111 -2.554 -11.388 1.00 53.23 H new ATOM 0 HG3 GLU A 15 18.802 -3.857 -12.335 1.00 53.23 H new ATOM 265 N ARG A 16 16.433 0.448 -12.996 1.00 61.24 N ATOM 266 CA ARG A 16 16.821 1.775 -12.535 1.00 15.42 C ATOM 267 C ARG A 16 15.718 2.398 -11.684 1.00 12.51 C ATOM 268 O ARG A 16 15.992 3.093 -10.705 1.00 2.35 O ATOM 269 CB ARG A 16 17.133 2.682 -13.727 1.00 24.22 C ATOM 270 CG ARG A 16 18.621 2.889 -13.961 1.00 30.34 C ATOM 271 CD ARG A 16 18.986 2.701 -15.425 1.00 21.12 C ATOM 272 NE ARG A 16 19.993 3.663 -15.866 1.00 32.34 N ATOM 273 CZ ARG A 16 20.276 3.897 -17.142 1.00 51.21 C ATOM 274 NH1 ARG A 16 19.631 3.243 -18.099 1.00 4.35 N ATOM 275 NH2 ARG A 16 21.205 4.788 -17.464 1.00 23.00 N ATOM 0 H ARG A 16 16.069 0.422 -13.949 1.00 61.24 H new ATOM 0 HA ARG A 16 17.716 1.672 -11.922 1.00 15.42 H new ATOM 0 HB2 ARG A 16 16.689 2.253 -14.625 1.00 24.22 H new ATOM 0 HB3 ARG A 16 16.660 3.651 -13.569 1.00 24.22 H new ATOM 0 HG2 ARG A 16 18.905 3.891 -13.640 1.00 30.34 H new ATOM 0 HG3 ARG A 16 19.188 2.186 -13.350 1.00 30.34 H new ATOM 0 HD2 ARG A 16 19.360 1.689 -15.578 1.00 21.12 H new ATOM 0 HD3 ARG A 16 18.091 2.806 -16.038 1.00 21.12 H new ATOM 0 HE ARG A 16 20.507 4.183 -15.155 1.00 32.34 H new ATOM 0 HH11 ARG A 16 18.915 2.558 -17.856 1.00 4.35 H new ATOM 0 HH12 ARG A 16 19.851 3.425 -19.078 1.00 4.35 H new ATOM 0 HH21 ARG A 16 21.702 5.294 -16.731 1.00 23.00 H new ATOM 0 HH22 ARG A 16 21.422 4.967 -18.444 1.00 23.00 H new ATOM 289 N LEU A 17 14.470 2.146 -12.064 1.00 63.13 N ATOM 290 CA LEU A 17 13.325 2.682 -11.337 1.00 2.22 C ATOM 291 C LEU A 17 13.141 1.963 -10.005 1.00 32.35 C ATOM 292 O LEU A 17 12.611 2.530 -9.050 1.00 52.53 O ATOM 293 CB LEU A 17 12.055 2.553 -12.179 1.00 51.22 C ATOM 294 CG LEU A 17 11.294 3.852 -12.449 1.00 35.42 C ATOM 295 CD1 LEU A 17 10.930 4.539 -11.142 1.00 22.44 C ATOM 296 CD2 LEU A 17 12.117 4.779 -13.330 1.00 51.42 C ATOM 0 H LEU A 17 14.225 1.573 -12.872 1.00 63.13 H new ATOM 0 HA LEU A 17 13.515 3.736 -11.137 1.00 2.22 H new ATOM 0 HB2 LEU A 17 12.322 2.106 -13.137 1.00 51.22 H new ATOM 0 HB3 LEU A 17 11.381 1.857 -11.679 1.00 51.22 H new ATOM 0 HG LEU A 17 10.372 3.607 -12.976 1.00 35.42 H new ATOM 0 HD11 LEU A 17 10.389 5.461 -11.354 1.00 22.44 H new ATOM 0 HD12 LEU A 17 10.300 3.878 -10.546 1.00 22.44 H new ATOM 0 HD13 LEU A 17 11.839 4.771 -10.587 1.00 22.44 H new ATOM 0 HD21 LEU A 17 11.560 5.698 -13.512 1.00 51.42 H new ATOM 0 HD22 LEU A 17 13.056 5.017 -12.831 1.00 51.42 H new ATOM 0 HD23 LEU A 17 12.326 4.288 -14.280 1.00 51.42 H new ATOM 308 N GLU A 18 13.584 0.711 -9.948 1.00 21.44 N ATOM 309 CA GLU A 18 13.469 -0.085 -8.731 1.00 73.33 C ATOM 310 C GLU A 18 14.154 0.611 -7.559 1.00 32.43 C ATOM 311 O GLU A 18 13.754 0.446 -6.407 1.00 33.22 O ATOM 312 CB GLU A 18 14.079 -1.472 -8.943 1.00 24.20 C ATOM 313 CG GLU A 18 13.224 -2.604 -8.397 1.00 44.53 C ATOM 314 CD GLU A 18 12.846 -3.615 -9.462 1.00 40.41 C ATOM 315 OE1 GLU A 18 12.291 -3.203 -10.502 1.00 13.42 O ATOM 316 OE2 GLU A 18 13.106 -4.819 -9.255 1.00 51.41 O ATOM 0 H GLU A 18 14.025 0.226 -10.729 1.00 21.44 H new ATOM 0 HA GLU A 18 12.410 -0.194 -8.497 1.00 73.33 H new ATOM 0 HB2 GLU A 18 14.238 -1.630 -10.010 1.00 24.20 H new ATOM 0 HB3 GLU A 18 15.059 -1.505 -8.466 1.00 24.20 H new ATOM 0 HG2 GLU A 18 13.765 -3.110 -7.597 1.00 44.53 H new ATOM 0 HG3 GLU A 18 12.317 -2.190 -7.956 1.00 44.53 H new ATOM 323 N GLU A 19 15.189 1.388 -7.862 1.00 73.01 N ATOM 324 CA GLU A 19 15.930 2.108 -6.833 1.00 62.42 C ATOM 325 C GLU A 19 15.197 3.382 -6.425 1.00 33.13 C ATOM 326 O GLU A 19 15.284 3.821 -5.277 1.00 54.22 O ATOM 327 CB GLU A 19 17.335 2.452 -7.332 1.00 51.35 C ATOM 328 CG GLU A 19 18.080 3.423 -6.431 1.00 61.44 C ATOM 329 CD GLU A 19 18.213 4.803 -7.044 1.00 44.14 C ATOM 330 OE1 GLU A 19 17.170 5.436 -7.312 1.00 64.35 O ATOM 331 OE2 GLU A 19 19.360 5.251 -7.256 1.00 73.43 O ATOM 0 H GLU A 19 15.533 1.535 -8.811 1.00 73.01 H new ATOM 0 HA GLU A 19 16.011 1.461 -5.960 1.00 62.42 H new ATOM 0 HB2 GLU A 19 17.915 1.533 -7.420 1.00 51.35 H new ATOM 0 HB3 GLU A 19 17.262 2.880 -8.332 1.00 51.35 H new ATOM 0 HG2 GLU A 19 17.558 3.502 -5.478 1.00 61.44 H new ATOM 0 HG3 GLU A 19 19.073 3.027 -6.219 1.00 61.44 H new ATOM 338 N LEU A 20 14.475 3.971 -7.372 1.00 1.24 N ATOM 339 CA LEU A 20 13.726 5.196 -7.112 1.00 21.11 C ATOM 340 C LEU A 20 12.715 4.988 -5.989 1.00 71.00 C ATOM 341 O LEU A 20 12.439 5.903 -5.212 1.00 72.41 O ATOM 342 CB LEU A 20 13.008 5.657 -8.381 1.00 70.25 C ATOM 343 CG LEU A 20 13.499 6.970 -8.991 1.00 42.22 C ATOM 344 CD1 LEU A 20 14.470 6.700 -10.130 1.00 61.21 C ATOM 345 CD2 LEU A 20 12.323 7.805 -9.477 1.00 44.22 C ATOM 0 H LEU A 20 14.392 3.621 -8.326 1.00 1.24 H new ATOM 0 HA LEU A 20 14.433 5.966 -6.802 1.00 21.11 H new ATOM 0 HB2 LEU A 20 13.102 4.873 -9.133 1.00 70.25 H new ATOM 0 HB3 LEU A 20 11.946 5.758 -8.157 1.00 70.25 H new ATOM 0 HG LEU A 20 14.024 7.533 -8.219 1.00 42.22 H new ATOM 0 HD11 LEU A 20 14.809 7.646 -10.552 1.00 61.21 H new ATOM 0 HD12 LEU A 20 15.328 6.143 -9.753 1.00 61.21 H new ATOM 0 HD13 LEU A 20 13.971 6.116 -10.903 1.00 61.21 H new ATOM 0 HD21 LEU A 20 12.691 8.736 -9.908 1.00 44.22 H new ATOM 0 HD22 LEU A 20 11.770 7.249 -10.234 1.00 44.22 H new ATOM 0 HD23 LEU A 20 11.665 8.029 -8.638 1.00 44.22 H new ATOM 357 N ILE A 21 12.168 3.780 -5.909 1.00 31.23 N ATOM 358 CA ILE A 21 11.190 3.451 -4.879 1.00 2.43 C ATOM 359 C ILE A 21 11.868 2.866 -3.644 1.00 74.55 C ATOM 360 O ILE A 21 11.431 3.095 -2.517 1.00 74.14 O ATOM 361 CB ILE A 21 10.140 2.451 -5.398 1.00 2.35 C ATOM 362 CG1 ILE A 21 9.077 2.194 -4.328 1.00 54.30 C ATOM 363 CG2 ILE A 21 10.808 1.149 -5.811 1.00 65.24 C ATOM 364 CD1 ILE A 21 8.244 3.413 -3.999 1.00 13.41 C ATOM 0 H ILE A 21 12.385 3.013 -6.545 1.00 31.23 H new ATOM 0 HA ILE A 21 10.690 4.381 -4.609 1.00 2.43 H new ATOM 0 HB ILE A 21 9.652 2.880 -6.273 1.00 2.35 H new ATOM 0 HG12 ILE A 21 8.418 1.394 -4.667 1.00 54.30 H new ATOM 0 HG13 ILE A 21 9.565 1.842 -3.419 1.00 54.30 H new ATOM 0 HG21 ILE A 21 10.053 0.452 -6.176 1.00 65.24 H new ATOM 0 HG22 ILE A 21 11.532 1.346 -6.602 1.00 65.24 H new ATOM 0 HG23 ILE A 21 11.319 0.714 -4.952 1.00 65.24 H new ATOM 0 HD11 ILE A 21 7.511 3.157 -3.233 1.00 13.41 H new ATOM 0 HD12 ILE A 21 8.892 4.208 -3.630 1.00 13.41 H new ATOM 0 HD13 ILE A 21 7.727 3.754 -4.896 1.00 13.41 H new ATOM 376 N GLU A 22 12.938 2.110 -3.867 1.00 24.45 N ATOM 377 CA GLU A 22 13.677 1.492 -2.771 1.00 71.24 C ATOM 378 C GLU A 22 14.133 2.542 -1.762 1.00 71.42 C ATOM 379 O GLU A 22 14.310 2.248 -0.580 1.00 31.42 O ATOM 380 CB GLU A 22 14.888 0.727 -3.311 1.00 15.04 C ATOM 381 CG GLU A 22 15.282 -0.468 -2.458 1.00 53.45 C ATOM 382 CD GLU A 22 15.932 -1.573 -3.268 1.00 40.52 C ATOM 383 OE1 GLU A 22 15.515 -1.782 -4.427 1.00 22.13 O ATOM 384 OE2 GLU A 22 16.857 -2.228 -2.744 1.00 12.51 O ATOM 0 H GLU A 22 13.312 1.911 -4.795 1.00 24.45 H new ATOM 0 HA GLU A 22 13.011 0.793 -2.265 1.00 71.24 H new ATOM 0 HB2 GLU A 22 14.670 0.385 -4.323 1.00 15.04 H new ATOM 0 HB3 GLU A 22 15.736 1.408 -3.381 1.00 15.04 H new ATOM 0 HG2 GLU A 22 15.970 -0.142 -1.678 1.00 53.45 H new ATOM 0 HG3 GLU A 22 14.396 -0.861 -1.959 1.00 53.45 H new ATOM 391 N LYS A 23 14.322 3.768 -2.238 1.00 22.23 N ATOM 392 CA LYS A 23 14.757 4.863 -1.379 1.00 51.33 C ATOM 393 C LYS A 23 13.693 5.192 -0.337 1.00 4.45 C ATOM 394 O LYS A 23 14.011 5.487 0.815 1.00 24.21 O ATOM 395 CB LYS A 23 15.065 6.105 -2.219 1.00 13.22 C ATOM 396 CG LYS A 23 16.549 6.397 -2.352 1.00 64.42 C ATOM 397 CD LYS A 23 17.190 5.545 -3.436 1.00 14.40 C ATOM 398 CE LYS A 23 18.703 5.502 -3.289 1.00 72.33 C ATOM 399 NZ LYS A 23 19.393 5.973 -4.521 1.00 44.25 N ATOM 0 H LYS A 23 14.181 4.028 -3.214 1.00 22.23 H new ATOM 0 HA LYS A 23 15.663 4.548 -0.861 1.00 51.33 H new ATOM 0 HB2 LYS A 23 14.638 5.975 -3.214 1.00 13.22 H new ATOM 0 HB3 LYS A 23 14.572 6.968 -1.771 1.00 13.22 H new ATOM 0 HG2 LYS A 23 16.694 7.452 -2.584 1.00 64.42 H new ATOM 0 HG3 LYS A 23 17.045 6.209 -1.400 1.00 64.42 H new ATOM 0 HD2 LYS A 23 16.790 4.532 -3.388 1.00 14.40 H new ATOM 0 HD3 LYS A 23 16.930 5.945 -4.416 1.00 14.40 H new ATOM 0 HE2 LYS A 23 19.004 6.122 -2.445 1.00 72.33 H new ATOM 0 HE3 LYS A 23 19.017 4.483 -3.064 1.00 72.33 H new ATOM 0 HZ1 LYS A 23 20.118 6.674 -4.266 1.00 44.25 H new ATOM 0 HZ2 LYS A 23 19.844 5.165 -4.997 1.00 44.25 H new ATOM 0 HZ3 LYS A 23 18.700 6.409 -5.162 1.00 44.25 H new ATOM 413 N GLU A 24 12.431 5.139 -0.748 1.00 75.34 N ATOM 414 CA GLU A 24 11.321 5.431 0.152 1.00 62.23 C ATOM 415 C GLU A 24 11.069 4.263 1.101 1.00 1.23 C ATOM 416 O GLU A 24 10.543 4.445 2.199 1.00 70.31 O ATOM 417 CB GLU A 24 10.053 5.735 -0.648 1.00 73.12 C ATOM 418 CG GLU A 24 9.331 6.991 -0.190 1.00 35.32 C ATOM 419 CD GLU A 24 8.076 6.685 0.606 1.00 64.12 C ATOM 420 OE1 GLU A 24 8.151 5.858 1.538 1.00 65.50 O ATOM 421 OE2 GLU A 24 7.020 7.274 0.296 1.00 74.11 O ATOM 0 H GLU A 24 12.151 4.897 -1.698 1.00 75.34 H new ATOM 0 HA GLU A 24 11.587 6.307 0.744 1.00 62.23 H new ATOM 0 HB2 GLU A 24 10.314 5.840 -1.701 1.00 73.12 H new ATOM 0 HB3 GLU A 24 9.373 4.887 -0.571 1.00 73.12 H new ATOM 0 HG2 GLU A 24 10.006 7.592 0.420 1.00 35.32 H new ATOM 0 HG3 GLU A 24 9.067 7.592 -1.060 1.00 35.32 H new ATOM 428 N MET A 25 11.448 3.065 0.670 1.00 61.33 N ATOM 429 CA MET A 25 11.264 1.867 1.481 1.00 11.13 C ATOM 430 C MET A 25 12.071 1.956 2.773 1.00 41.05 C ATOM 431 O MET A 25 13.170 2.509 2.790 1.00 1.43 O ATOM 432 CB MET A 25 11.676 0.623 0.693 1.00 62.51 C ATOM 433 CG MET A 25 10.860 0.405 -0.571 1.00 15.34 C ATOM 434 SD MET A 25 9.107 0.150 -0.230 1.00 4.02 S ATOM 435 CE MET A 25 9.183 -1.210 0.933 1.00 4.14 C ATOM 0 H MET A 25 11.885 2.898 -0.237 1.00 61.33 H new ATOM 0 HA MET A 25 10.207 1.791 1.738 1.00 11.13 H new ATOM 0 HB2 MET A 25 12.730 0.705 0.426 1.00 62.51 H new ATOM 0 HB3 MET A 25 11.577 -0.253 1.335 1.00 62.51 H new ATOM 0 HG2 MET A 25 10.977 1.267 -1.228 1.00 15.34 H new ATOM 0 HG3 MET A 25 11.252 -0.459 -1.107 1.00 15.34 H new ATOM 0 HE1 MET A 25 8.194 -1.657 1.035 1.00 4.14 H new ATOM 0 HE2 MET A 25 9.885 -1.960 0.570 1.00 4.14 H new ATOM 0 HE3 MET A 25 9.516 -0.841 1.903 1.00 4.14 H new ATOM 445 N GLN A 26 11.518 1.408 3.850 1.00 42.12 N ATOM 446 CA GLN A 26 12.188 1.427 5.145 1.00 54.30 C ATOM 447 C GLN A 26 13.471 0.604 5.107 1.00 40.33 C ATOM 448 O GLN A 26 13.674 -0.234 4.228 1.00 12.01 O ATOM 449 CB GLN A 26 11.256 0.890 6.232 1.00 15.15 C ATOM 450 CG GLN A 26 10.703 1.970 7.149 1.00 44.34 C ATOM 451 CD GLN A 26 9.447 2.616 6.598 1.00 2.23 C ATOM 452 OE1 GLN A 26 9.464 3.219 5.524 1.00 23.54 O ATOM 453 NE2 GLN A 26 8.348 2.494 7.333 1.00 52.11 N ATOM 0 H GLN A 26 10.609 0.946 3.852 1.00 42.12 H new ATOM 0 HA GLN A 26 12.448 2.460 5.376 1.00 54.30 H new ATOM 0 HB2 GLN A 26 10.425 0.366 5.760 1.00 15.15 H new ATOM 0 HB3 GLN A 26 11.796 0.157 6.832 1.00 15.15 H new ATOM 0 HG2 GLN A 26 10.486 1.536 8.125 1.00 44.34 H new ATOM 0 HG3 GLN A 26 11.464 2.736 7.302 1.00 44.34 H new ATOM 0 HE21 GLN A 26 8.379 1.986 8.217 1.00 52.11 H new ATOM 0 HE22 GLN A 26 7.472 2.909 7.014 1.00 52.11 H new ATOM 462 N PRO A 27 14.360 0.848 6.081 1.00 32.43 N ATOM 463 CA PRO A 27 15.639 0.139 6.181 1.00 62.11 C ATOM 464 C PRO A 27 15.463 -1.324 6.573 1.00 75.01 C ATOM 465 O PRO A 27 16.421 -2.095 6.578 1.00 2.10 O ATOM 466 CB PRO A 27 16.382 0.901 7.281 1.00 43.32 C ATOM 467 CG PRO A 27 15.307 1.514 8.110 1.00 52.33 C ATOM 468 CD PRO A 27 14.184 1.833 7.161 1.00 20.15 C ATOM 0 HA PRO A 27 16.167 0.116 5.228 1.00 62.11 H new ATOM 0 HB2 PRO A 27 17.006 0.232 7.874 1.00 43.32 H new ATOM 0 HB3 PRO A 27 17.040 1.662 6.861 1.00 43.32 H new ATOM 0 HG2 PRO A 27 14.976 0.828 8.890 1.00 52.33 H new ATOM 0 HG3 PRO A 27 15.664 2.415 8.609 1.00 52.33 H new ATOM 0 HD2 PRO A 27 13.211 1.733 7.642 1.00 20.15 H new ATOM 0 HD3 PRO A 27 14.251 2.855 6.788 1.00 20.15 H new ATOM 476 N ASN A 28 14.230 -1.700 6.900 1.00 4.54 N ATOM 477 CA ASN A 28 13.928 -3.071 7.294 1.00 65.01 C ATOM 478 C ASN A 28 12.558 -3.497 6.776 1.00 40.52 C ATOM 479 O ASN A 28 11.854 -4.272 7.421 1.00 74.21 O ATOM 480 CB ASN A 28 13.976 -3.209 8.817 1.00 15.40 C ATOM 481 CG ASN A 28 14.566 -4.533 9.260 1.00 61.41 C ATOM 482 OD1 ASN A 28 15.453 -5.080 8.605 1.00 62.25 O ATOM 483 ND2 ASN A 28 14.075 -5.056 10.377 1.00 13.15 N ATOM 0 H ASN A 28 13.425 -1.074 6.900 1.00 4.54 H new ATOM 0 HA ASN A 28 14.682 -3.723 6.853 1.00 65.01 H new ATOM 0 HB2 ASN A 28 14.567 -2.394 9.234 1.00 15.40 H new ATOM 0 HB3 ASN A 28 12.968 -3.111 9.220 1.00 15.40 H new ATOM 0 HD21 ASN A 28 14.433 -5.946 10.724 1.00 13.15 H new ATOM 0 HD22 ASN A 28 13.340 -4.568 10.888 1.00 13.15 H new ATOM 490 N GLU A 29 12.188 -2.983 5.607 1.00 71.34 N ATOM 491 CA GLU A 29 10.902 -3.310 5.002 1.00 32.44 C ATOM 492 C GLU A 29 11.083 -4.244 3.809 1.00 30.32 C ATOM 493 O GLU A 29 12.202 -4.474 3.351 1.00 42.04 O ATOM 494 CB GLU A 29 10.181 -2.035 4.561 1.00 44.31 C ATOM 495 CG GLU A 29 8.952 -1.711 5.393 1.00 72.13 C ATOM 496 CD GLU A 29 7.961 -0.834 4.652 1.00 11.13 C ATOM 497 OE1 GLU A 29 8.259 0.363 4.459 1.00 53.52 O ATOM 498 OE2 GLU A 29 6.888 -1.344 4.267 1.00 64.01 O ATOM 0 H GLU A 29 12.760 -2.339 5.061 1.00 71.34 H new ATOM 0 HA GLU A 29 10.297 -3.820 5.752 1.00 32.44 H new ATOM 0 HB2 GLU A 29 10.877 -1.198 4.615 1.00 44.31 H new ATOM 0 HB3 GLU A 29 9.886 -2.138 3.517 1.00 44.31 H new ATOM 0 HG2 GLU A 29 8.462 -2.639 5.687 1.00 72.13 H new ATOM 0 HG3 GLU A 29 9.261 -1.209 6.310 1.00 72.13 H new ATOM 505 N VAL A 30 9.973 -4.781 3.311 1.00 4.41 N ATOM 506 CA VAL A 30 10.008 -5.689 2.171 1.00 23.12 C ATOM 507 C VAL A 30 9.605 -4.974 0.886 1.00 24.43 C ATOM 508 O VAL A 30 8.764 -4.076 0.901 1.00 25.03 O ATOM 509 CB VAL A 30 9.077 -6.897 2.387 1.00 4.04 C ATOM 510 CG1 VAL A 30 7.624 -6.494 2.188 1.00 3.24 C ATOM 511 CG2 VAL A 30 9.456 -8.035 1.452 1.00 24.31 C ATOM 0 H VAL A 30 9.039 -4.603 3.679 1.00 4.41 H new ATOM 0 HA VAL A 30 11.035 -6.043 2.080 1.00 23.12 H new ATOM 0 HB VAL A 30 9.195 -7.246 3.413 1.00 4.04 H new ATOM 0 HG11 VAL A 30 6.981 -7.360 2.345 1.00 3.24 H new ATOM 0 HG12 VAL A 30 7.362 -5.714 2.902 1.00 3.24 H new ATOM 0 HG13 VAL A 30 7.486 -6.119 1.174 1.00 3.24 H new ATOM 0 HG21 VAL A 30 8.788 -8.880 1.618 1.00 24.31 H new ATOM 0 HG22 VAL A 30 9.368 -7.701 0.418 1.00 24.31 H new ATOM 0 HG23 VAL A 30 10.484 -8.341 1.649 1.00 24.31 H new ATOM 521 N ALA A 31 10.211 -5.380 -0.225 1.00 20.21 N ATOM 522 CA ALA A 31 9.914 -4.780 -1.520 1.00 35.43 C ATOM 523 C ALA A 31 9.656 -5.851 -2.574 1.00 71.15 C ATOM 524 O ALA A 31 10.563 -6.592 -2.955 1.00 1.14 O ATOM 525 CB ALA A 31 11.054 -3.872 -1.955 1.00 14.42 C ATOM 0 H ALA A 31 10.910 -6.122 -0.254 1.00 20.21 H new ATOM 0 HA ALA A 31 9.008 -4.183 -1.417 1.00 35.43 H new ATOM 0 HB1 ALA A 31 10.819 -3.431 -2.924 1.00 14.42 H new ATOM 0 HB2 ALA A 31 11.189 -3.080 -1.219 1.00 14.42 H new ATOM 0 HB3 ALA A 31 11.972 -4.454 -2.035 1.00 14.42 H new ATOM 531 N ILE A 32 8.415 -5.927 -3.043 1.00 33.45 N ATOM 532 CA ILE A 32 8.039 -6.908 -4.054 1.00 0.33 C ATOM 533 C ILE A 32 8.120 -6.311 -5.455 1.00 13.24 C ATOM 534 O ILE A 32 7.261 -5.525 -5.857 1.00 23.22 O ATOM 535 CB ILE A 32 6.614 -7.443 -3.817 1.00 44.21 C ATOM 536 CG1 ILE A 32 6.521 -8.120 -2.448 1.00 64.34 C ATOM 537 CG2 ILE A 32 6.223 -8.413 -4.922 1.00 13.41 C ATOM 538 CD1 ILE A 32 5.431 -7.553 -1.566 1.00 61.44 C ATOM 0 H ILE A 32 7.653 -5.321 -2.739 1.00 33.45 H new ATOM 0 HA ILE A 32 8.746 -7.734 -3.972 1.00 0.33 H new ATOM 0 HB ILE A 32 5.919 -6.604 -3.834 1.00 44.21 H new ATOM 0 HG12 ILE A 32 6.344 -9.186 -2.590 1.00 64.34 H new ATOM 0 HG13 ILE A 32 7.479 -8.021 -1.937 1.00 64.34 H new ATOM 0 HG21 ILE A 32 5.214 -8.783 -4.741 1.00 13.41 H new ATOM 0 HG22 ILE A 32 6.255 -7.901 -5.884 1.00 13.41 H new ATOM 0 HG23 ILE A 32 6.920 -9.251 -4.934 1.00 13.41 H new ATOM 0 HD11 ILE A 32 5.424 -8.081 -0.612 1.00 61.44 H new ATOM 0 HD12 ILE A 32 5.617 -6.493 -1.393 1.00 61.44 H new ATOM 0 HD13 ILE A 32 4.465 -7.676 -2.056 1.00 61.44 H new ATOM 550 N PHE A 33 9.156 -6.690 -6.195 1.00 21.43 N ATOM 551 CA PHE A 33 9.349 -6.194 -7.552 1.00 40.41 C ATOM 552 C PHE A 33 8.970 -7.257 -8.579 1.00 43.43 C ATOM 553 O PHE A 33 9.677 -8.250 -8.749 1.00 54.12 O ATOM 554 CB PHE A 33 10.803 -5.764 -7.759 1.00 11.33 C ATOM 555 CG PHE A 33 11.296 -4.798 -6.720 1.00 13.44 C ATOM 556 CD1 PHE A 33 10.483 -3.770 -6.269 1.00 53.01 C ATOM 557 CD2 PHE A 33 12.572 -4.917 -6.193 1.00 34.40 C ATOM 558 CE1 PHE A 33 10.934 -2.879 -5.314 1.00 22.34 C ATOM 559 CE2 PHE A 33 13.028 -4.030 -5.237 1.00 4.22 C ATOM 560 CZ PHE A 33 12.208 -3.010 -4.796 1.00 21.11 C ATOM 0 H PHE A 33 9.875 -7.340 -5.877 1.00 21.43 H new ATOM 0 HA PHE A 33 8.699 -5.331 -7.692 1.00 40.41 H new ATOM 0 HB2 PHE A 33 11.440 -6.649 -7.752 1.00 11.33 H new ATOM 0 HB3 PHE A 33 10.902 -5.308 -8.744 1.00 11.33 H new ATOM 0 HD1 PHE A 33 9.485 -3.664 -6.669 1.00 53.01 H new ATOM 0 HD2 PHE A 33 13.218 -5.713 -6.534 1.00 34.40 H new ATOM 0 HE1 PHE A 33 10.291 -2.081 -4.973 1.00 22.34 H new ATOM 0 HE2 PHE A 33 14.025 -4.134 -4.835 1.00 4.22 H new ATOM 0 HZ PHE A 33 12.562 -2.316 -4.048 1.00 21.11 H new ATOM 570 N MET A 34 7.850 -7.040 -9.261 1.00 3.31 N ATOM 571 CA MET A 34 7.377 -7.978 -10.272 1.00 25.31 C ATOM 572 C MET A 34 8.107 -7.766 -11.595 1.00 0.14 C ATOM 573 O MET A 34 8.209 -6.641 -12.085 1.00 72.21 O ATOM 574 CB MET A 34 5.869 -7.823 -10.477 1.00 64.02 C ATOM 575 CG MET A 34 5.167 -9.124 -10.831 1.00 1.11 C ATOM 576 SD MET A 34 3.371 -8.967 -10.825 1.00 72.23 S ATOM 577 CE MET A 34 3.054 -8.769 -9.074 1.00 34.24 C ATOM 0 H MET A 34 7.253 -6.223 -9.132 1.00 3.31 H new ATOM 0 HA MET A 34 7.586 -8.988 -9.920 1.00 25.31 H new ATOM 0 HB2 MET A 34 5.427 -7.417 -9.567 1.00 64.02 H new ATOM 0 HB3 MET A 34 5.691 -7.096 -11.270 1.00 64.02 H new ATOM 0 HG2 MET A 34 5.496 -9.453 -11.817 1.00 1.11 H new ATOM 0 HG3 MET A 34 5.463 -9.897 -10.122 1.00 1.11 H new ATOM 0 HE1 MET A 34 2.132 -8.205 -8.933 1.00 34.24 H new ATOM 0 HE2 MET A 34 2.954 -9.750 -8.609 1.00 34.24 H new ATOM 0 HE3 MET A 34 3.883 -8.232 -8.613 1.00 34.24 H new ATOM 587 N PHE A 35 8.614 -8.853 -12.167 1.00 55.11 N ATOM 588 CA PHE A 35 9.335 -8.785 -13.433 1.00 10.15 C ATOM 589 C PHE A 35 8.836 -9.853 -14.401 1.00 61.31 C ATOM 590 O PHE A 35 8.805 -11.038 -14.071 1.00 64.33 O ATOM 591 CB PHE A 35 10.837 -8.955 -13.197 1.00 62.23 C ATOM 592 CG PHE A 35 11.218 -10.329 -12.726 1.00 22.43 C ATOM 593 CD1 PHE A 35 10.923 -10.740 -11.436 1.00 23.03 C ATOM 594 CD2 PHE A 35 11.872 -11.210 -13.572 1.00 74.43 C ATOM 595 CE1 PHE A 35 11.272 -12.004 -10.999 1.00 21.14 C ATOM 596 CE2 PHE A 35 12.222 -12.476 -13.141 1.00 45.30 C ATOM 597 CZ PHE A 35 11.924 -12.873 -11.852 1.00 55.42 C ATOM 0 H PHE A 35 8.539 -9.791 -11.774 1.00 55.11 H new ATOM 0 HA PHE A 35 9.152 -7.806 -13.875 1.00 10.15 H new ATOM 0 HB2 PHE A 35 11.369 -8.736 -14.123 1.00 62.23 H new ATOM 0 HB3 PHE A 35 11.166 -8.223 -12.460 1.00 62.23 H new ATOM 0 HD1 PHE A 35 10.414 -10.065 -10.764 1.00 23.03 H new ATOM 0 HD2 PHE A 35 12.111 -10.904 -14.580 1.00 74.43 H new ATOM 0 HE1 PHE A 35 11.035 -12.312 -9.991 1.00 21.14 H new ATOM 0 HE2 PHE A 35 12.728 -13.154 -13.812 1.00 45.30 H new ATOM 0 HZ PHE A 35 12.200 -13.860 -11.512 1.00 55.42 H new ATOM 607 N GLU A 36 8.446 -9.424 -15.597 1.00 51.41 N ATOM 608 CA GLU A 36 7.947 -10.343 -16.613 1.00 61.00 C ATOM 609 C GLU A 36 9.022 -10.638 -17.655 1.00 41.21 C ATOM 610 O GLU A 36 8.900 -11.578 -18.440 1.00 42.15 O ATOM 611 CB GLU A 36 6.707 -9.761 -17.294 1.00 73.23 C ATOM 612 CG GLU A 36 6.984 -8.491 -18.080 1.00 54.42 C ATOM 613 CD GLU A 36 7.092 -8.739 -19.572 1.00 65.41 C ATOM 614 OE1 GLU A 36 6.202 -9.417 -20.126 1.00 73.14 O ATOM 615 OE2 GLU A 36 8.068 -8.257 -20.185 1.00 33.30 O ATOM 0 H GLU A 36 8.466 -8.446 -15.886 1.00 51.41 H new ATOM 0 HA GLU A 36 7.677 -11.277 -16.120 1.00 61.00 H new ATOM 0 HB2 GLU A 36 6.287 -10.510 -17.966 1.00 73.23 H new ATOM 0 HB3 GLU A 36 5.951 -9.552 -16.537 1.00 73.23 H new ATOM 0 HG2 GLU A 36 6.187 -7.771 -17.892 1.00 54.42 H new ATOM 0 HG3 GLU A 36 7.911 -8.042 -17.722 1.00 54.42 H new ATOM 622 N VAL A 37 10.075 -9.827 -17.656 1.00 42.52 N ATOM 623 CA VAL A 37 11.173 -9.999 -18.601 1.00 35.55 C ATOM 624 C VAL A 37 12.110 -11.116 -18.155 1.00 71.32 C ATOM 625 O VAL A 37 12.193 -11.436 -16.970 1.00 51.21 O ATOM 626 CB VAL A 37 11.982 -8.699 -18.764 1.00 61.55 C ATOM 627 CG1 VAL A 37 12.901 -8.791 -19.973 1.00 71.22 C ATOM 628 CG2 VAL A 37 11.050 -7.503 -18.883 1.00 31.23 C ATOM 0 H VAL A 37 10.191 -9.044 -17.013 1.00 42.52 H new ATOM 0 HA VAL A 37 10.728 -10.263 -19.560 1.00 35.55 H new ATOM 0 HB VAL A 37 12.600 -8.562 -17.877 1.00 61.55 H new ATOM 0 HG11 VAL A 37 13.465 -7.864 -20.073 1.00 71.22 H new ATOM 0 HG12 VAL A 37 13.592 -9.624 -19.842 1.00 71.22 H new ATOM 0 HG13 VAL A 37 12.305 -8.952 -20.871 1.00 71.22 H new ATOM 0 HG21 VAL A 37 11.639 -6.593 -18.998 1.00 31.23 H new ATOM 0 HG22 VAL A 37 10.405 -7.630 -19.752 1.00 31.23 H new ATOM 0 HG23 VAL A 37 10.438 -7.428 -17.984 1.00 31.23 H new ATOM 638 N GLY A 38 12.816 -11.707 -19.115 1.00 32.12 N ATOM 639 CA GLY A 38 13.739 -12.782 -18.802 1.00 20.13 C ATOM 640 C GLY A 38 14.969 -12.293 -18.062 1.00 74.41 C ATOM 641 O GLY A 38 15.774 -13.094 -17.586 1.00 14.24 O ATOM 0 H GLY A 38 12.765 -11.460 -20.103 1.00 32.12 H new ATOM 0 HA2 GLY A 38 13.228 -13.531 -18.196 1.00 20.13 H new ATOM 0 HA3 GLY A 38 14.046 -13.274 -19.725 1.00 20.13 H new ATOM 645 N ASP A 39 15.115 -10.977 -17.967 1.00 43.41 N ATOM 646 CA ASP A 39 16.256 -10.382 -17.281 1.00 4.12 C ATOM 647 C ASP A 39 16.171 -10.622 -15.777 1.00 10.44 C ATOM 648 O ASP A 39 15.686 -9.772 -15.029 1.00 24.14 O ATOM 649 CB ASP A 39 16.326 -8.881 -17.568 1.00 33.25 C ATOM 650 CG ASP A 39 17.236 -8.556 -18.735 1.00 64.32 C ATOM 651 OD1 ASP A 39 18.468 -8.702 -18.586 1.00 70.31 O ATOM 652 OD2 ASP A 39 16.718 -8.157 -19.798 1.00 73.04 O ATOM 0 H ASP A 39 14.458 -10.301 -18.356 1.00 43.41 H new ATOM 0 HA ASP A 39 17.162 -10.858 -17.656 1.00 4.12 H new ATOM 0 HB2 ASP A 39 15.324 -8.507 -17.778 1.00 33.25 H new ATOM 0 HB3 ASP A 39 16.681 -8.360 -16.679 1.00 33.25 H new ATOM 657 N PHE A 40 16.644 -11.784 -15.340 1.00 71.21 N ATOM 658 CA PHE A 40 16.619 -12.137 -13.925 1.00 42.13 C ATOM 659 C PHE A 40 17.884 -11.654 -13.222 1.00 42.41 C ATOM 660 O PHE A 40 17.895 -11.456 -12.007 1.00 60.02 O ATOM 661 CB PHE A 40 16.476 -13.651 -13.758 1.00 32.02 C ATOM 662 CG PHE A 40 17.737 -14.410 -14.060 1.00 14.42 C ATOM 663 CD1 PHE A 40 18.668 -14.655 -13.064 1.00 62.30 C ATOM 664 CD2 PHE A 40 17.990 -14.877 -15.339 1.00 72.31 C ATOM 665 CE1 PHE A 40 19.829 -15.352 -13.340 1.00 24.34 C ATOM 666 CE2 PHE A 40 19.149 -15.575 -15.621 1.00 21.45 C ATOM 667 CZ PHE A 40 20.070 -15.814 -14.619 1.00 14.00 C ATOM 0 H PHE A 40 17.050 -12.498 -15.945 1.00 71.21 H new ATOM 0 HA PHE A 40 15.760 -11.645 -13.468 1.00 42.13 H new ATOM 0 HB2 PHE A 40 16.167 -13.868 -12.735 1.00 32.02 H new ATOM 0 HB3 PHE A 40 15.681 -14.007 -14.414 1.00 32.02 H new ATOM 0 HD1 PHE A 40 18.485 -14.298 -12.061 1.00 62.30 H new ATOM 0 HD2 PHE A 40 17.273 -14.694 -16.126 1.00 72.31 H new ATOM 0 HE1 PHE A 40 20.548 -15.535 -12.555 1.00 24.34 H new ATOM 0 HE2 PHE A 40 19.335 -15.933 -16.623 1.00 21.45 H new ATOM 0 HZ PHE A 40 20.976 -16.361 -14.835 1.00 14.00 H new ATOM 677 N SER A 41 18.949 -11.466 -13.995 1.00 51.24 N ATOM 678 CA SER A 41 20.221 -11.010 -13.447 1.00 70.02 C ATOM 679 C SER A 41 20.162 -9.525 -13.100 1.00 63.54 C ATOM 680 O SER A 41 21.010 -9.014 -12.370 1.00 51.44 O ATOM 681 CB SER A 41 21.352 -11.268 -14.445 1.00 20.14 C ATOM 682 OG SER A 41 21.724 -10.075 -15.113 1.00 64.42 O ATOM 0 H SER A 41 18.956 -11.623 -15.003 1.00 51.24 H new ATOM 0 HA SER A 41 20.417 -11.571 -12.533 1.00 70.02 H new ATOM 0 HB2 SER A 41 22.215 -11.680 -13.923 1.00 20.14 H new ATOM 0 HB3 SER A 41 21.035 -12.013 -15.174 1.00 20.14 H new ATOM 0 HG SER A 41 22.449 -10.266 -15.744 1.00 64.42 H new ATOM 688 N ASN A 42 19.155 -8.840 -13.630 1.00 55.13 N ATOM 689 CA ASN A 42 18.984 -7.414 -13.378 1.00 42.51 C ATOM 690 C ASN A 42 18.198 -7.179 -12.092 1.00 4.44 C ATOM 691 O ASN A 42 18.356 -6.149 -11.435 1.00 43.23 O ATOM 692 CB ASN A 42 18.268 -6.748 -14.555 1.00 61.21 C ATOM 693 CG ASN A 42 19.205 -5.909 -15.402 1.00 61.35 C ATOM 694 OD1 ASN A 42 20.265 -6.374 -15.821 1.00 64.21 O ATOM 695 ND2 ASN A 42 18.817 -4.665 -15.659 1.00 31.51 N ATOM 0 H ASN A 42 18.445 -9.249 -14.237 1.00 55.13 H new ATOM 0 HA ASN A 42 19.973 -6.970 -13.265 1.00 42.51 H new ATOM 0 HB2 ASN A 42 17.808 -7.515 -15.178 1.00 61.21 H new ATOM 0 HB3 ASN A 42 17.462 -6.119 -14.177 1.00 61.21 H new ATOM 0 HD21 ASN A 42 19.406 -4.054 -16.224 1.00 31.51 H new ATOM 0 HD22 ASN A 42 17.930 -4.321 -15.291 1.00 31.51 H new ATOM 702 N ILE A 43 17.353 -8.140 -11.738 1.00 35.34 N ATOM 703 CA ILE A 43 16.544 -8.039 -10.529 1.00 53.23 C ATOM 704 C ILE A 43 17.406 -7.700 -9.318 1.00 34.53 C ATOM 705 O ILE A 43 17.186 -6.705 -8.627 1.00 21.21 O ATOM 706 CB ILE A 43 15.779 -9.347 -10.252 1.00 41.32 C ATOM 707 CG1 ILE A 43 14.430 -9.337 -10.974 1.00 63.35 C ATOM 708 CG2 ILE A 43 15.583 -9.539 -8.756 1.00 5.13 C ATOM 709 CD1 ILE A 43 13.477 -8.281 -10.460 1.00 71.53 C ATOM 0 H ILE A 43 17.210 -8.998 -12.271 1.00 35.34 H new ATOM 0 HA ILE A 43 15.825 -7.237 -10.696 1.00 53.23 H new ATOM 0 HB ILE A 43 16.367 -10.182 -10.632 1.00 41.32 H new ATOM 0 HG12 ILE A 43 14.598 -9.176 -12.039 1.00 63.35 H new ATOM 0 HG13 ILE A 43 13.964 -10.317 -10.870 1.00 63.35 H new ATOM 0 HG21 ILE A 43 15.041 -10.467 -8.576 1.00 5.13 H new ATOM 0 HG22 ILE A 43 16.555 -9.585 -8.265 1.00 5.13 H new ATOM 0 HG23 ILE A 43 15.012 -8.702 -8.353 1.00 5.13 H new ATOM 0 HD11 ILE A 43 12.542 -8.332 -11.018 1.00 71.53 H new ATOM 0 HD12 ILE A 43 13.279 -8.454 -9.402 1.00 71.53 H new ATOM 0 HD13 ILE A 43 13.923 -7.295 -10.589 1.00 71.53 H new ATOM 721 N PRO A 44 18.412 -8.547 -9.053 1.00 1.52 N ATOM 722 CA PRO A 44 19.330 -8.357 -7.925 1.00 74.03 C ATOM 723 C PRO A 44 20.256 -7.163 -8.126 1.00 43.24 C ATOM 724 O PRO A 44 20.863 -6.667 -7.176 1.00 73.24 O ATOM 725 CB PRO A 44 20.134 -9.659 -7.899 1.00 74.34 C ATOM 726 CG PRO A 44 20.074 -10.169 -9.298 1.00 45.11 C ATOM 727 CD PRO A 44 18.732 -9.753 -9.834 1.00 24.11 C ATOM 0 HA PRO A 44 18.798 -8.150 -6.997 1.00 74.03 H new ATOM 0 HB2 PRO A 44 21.163 -9.483 -7.586 1.00 74.34 H new ATOM 0 HB3 PRO A 44 19.705 -10.375 -7.198 1.00 74.34 H new ATOM 0 HG2 PRO A 44 20.881 -9.752 -9.900 1.00 45.11 H new ATOM 0 HG3 PRO A 44 20.185 -11.253 -9.323 1.00 45.11 H new ATOM 0 HD2 PRO A 44 18.774 -9.540 -10.902 1.00 24.11 H new ATOM 0 HD3 PRO A 44 17.984 -10.533 -9.694 1.00 24.11 H new ATOM 735 N LYS A 45 20.361 -6.704 -9.369 1.00 24.11 N ATOM 736 CA LYS A 45 21.213 -5.566 -9.696 1.00 32.45 C ATOM 737 C LYS A 45 20.575 -4.260 -9.234 1.00 42.45 C ATOM 738 O LYS A 45 21.272 -3.306 -8.889 1.00 5.13 O ATOM 739 CB LYS A 45 21.474 -5.515 -11.203 1.00 2.25 C ATOM 740 CG LYS A 45 22.849 -4.980 -11.563 1.00 43.23 C ATOM 741 CD LYS A 45 22.756 -3.802 -12.519 1.00 3.14 C ATOM 742 CE LYS A 45 24.072 -3.567 -13.244 1.00 64.41 C ATOM 743 NZ LYS A 45 23.867 -3.307 -14.696 1.00 32.11 N ATOM 0 H LYS A 45 19.866 -7.103 -10.167 1.00 24.11 H new ATOM 0 HA LYS A 45 22.162 -5.691 -9.174 1.00 32.45 H new ATOM 0 HB2 LYS A 45 21.363 -6.517 -11.617 1.00 2.25 H new ATOM 0 HB3 LYS A 45 20.715 -4.890 -11.674 1.00 2.25 H new ATOM 0 HG2 LYS A 45 23.370 -4.674 -10.656 1.00 43.23 H new ATOM 0 HG3 LYS A 45 23.441 -5.774 -12.018 1.00 43.23 H new ATOM 0 HD2 LYS A 45 21.966 -3.985 -13.247 1.00 3.14 H new ATOM 0 HD3 LYS A 45 22.479 -2.904 -11.966 1.00 3.14 H new ATOM 0 HE2 LYS A 45 24.589 -2.720 -12.793 1.00 64.41 H new ATOM 0 HE3 LYS A 45 24.716 -4.437 -13.118 1.00 64.41 H new ATOM 0 HZ1 LYS A 45 24.788 -3.152 -15.154 1.00 32.11 H new ATOM 0 HZ2 LYS A 45 23.397 -4.126 -15.132 1.00 32.11 H new ATOM 0 HZ3 LYS A 45 23.273 -2.462 -14.817 1.00 32.11 H new ATOM 757 N SER A 46 19.247 -4.224 -9.231 1.00 15.33 N ATOM 758 CA SER A 46 18.515 -3.033 -8.814 1.00 42.10 C ATOM 759 C SER A 46 18.701 -2.776 -7.322 1.00 10.23 C ATOM 760 O SER A 46 19.111 -1.689 -6.914 1.00 73.32 O ATOM 761 CB SER A 46 17.027 -3.184 -9.136 1.00 2.22 C ATOM 762 OG SER A 46 16.808 -4.242 -10.053 1.00 4.13 O ATOM 0 H SER A 46 18.655 -5.006 -9.513 1.00 15.33 H new ATOM 0 HA SER A 46 18.913 -2.181 -9.364 1.00 42.10 H new ATOM 0 HB2 SER A 46 16.471 -3.373 -8.218 1.00 2.22 H new ATOM 0 HB3 SER A 46 16.646 -2.252 -9.553 1.00 2.22 H new ATOM 0 HG SER A 46 16.789 -5.095 -9.570 1.00 4.13 H new ATOM 768 N ALA A 47 18.396 -3.784 -6.512 1.00 21.24 N ATOM 769 CA ALA A 47 18.531 -3.669 -5.065 1.00 32.43 C ATOM 770 C ALA A 47 19.966 -3.338 -4.672 1.00 25.24 C ATOM 771 O ALA A 47 20.213 -2.777 -3.605 1.00 2.21 O ATOM 772 CB ALA A 47 18.080 -4.956 -4.389 1.00 12.21 C ATOM 0 H ALA A 47 18.054 -4.690 -6.833 1.00 21.24 H new ATOM 0 HA ALA A 47 17.893 -2.852 -4.729 1.00 32.43 H new ATOM 0 HB1 ALA A 47 18.186 -4.856 -3.309 1.00 12.21 H new ATOM 0 HB2 ALA A 47 17.036 -5.149 -4.635 1.00 12.21 H new ATOM 0 HB3 ALA A 47 18.695 -5.785 -4.739 1.00 12.21 H new ATOM 778 N GLU A 48 20.909 -3.690 -5.540 1.00 63.41 N ATOM 779 CA GLU A 48 22.321 -3.431 -5.281 1.00 73.23 C ATOM 780 C GLU A 48 22.652 -1.957 -5.496 1.00 75.01 C ATOM 781 O GLU A 48 23.586 -1.425 -4.896 1.00 61.24 O ATOM 782 CB GLU A 48 23.196 -4.299 -6.188 1.00 2.01 C ATOM 783 CG GLU A 48 24.655 -4.341 -5.766 1.00 22.33 C ATOM 784 CD GLU A 48 25.605 -4.321 -6.947 1.00 42.14 C ATOM 785 OE1 GLU A 48 25.694 -5.345 -7.656 1.00 72.11 O ATOM 786 OE2 GLU A 48 26.260 -3.279 -7.163 1.00 61.53 O ATOM 0 H GLU A 48 20.721 -4.155 -6.428 1.00 63.41 H new ATOM 0 HA GLU A 48 22.526 -3.684 -4.241 1.00 73.23 H new ATOM 0 HB2 GLU A 48 22.800 -5.314 -6.198 1.00 2.01 H new ATOM 0 HB3 GLU A 48 23.132 -3.922 -7.209 1.00 2.01 H new ATOM 0 HG2 GLU A 48 24.867 -3.489 -5.120 1.00 22.33 H new ATOM 0 HG3 GLU A 48 24.833 -5.240 -5.177 1.00 22.33 H new ATOM 793 N PHE A 49 21.878 -1.303 -6.356 1.00 45.43 N ATOM 794 CA PHE A 49 22.089 0.110 -6.652 1.00 63.34 C ATOM 795 C PHE A 49 22.004 0.950 -5.382 1.00 14.41 C ATOM 796 O PHE A 49 22.544 2.055 -5.318 1.00 40.15 O ATOM 797 CB PHE A 49 21.058 0.598 -7.671 1.00 51.54 C ATOM 798 CG PHE A 49 21.665 1.329 -8.835 1.00 53.11 C ATOM 799 CD1 PHE A 49 22.019 2.664 -8.723 1.00 62.12 C ATOM 800 CD2 PHE A 49 21.881 0.681 -10.040 1.00 50.14 C ATOM 801 CE1 PHE A 49 22.577 3.339 -9.793 1.00 32.33 C ATOM 802 CE2 PHE A 49 22.439 1.351 -11.113 1.00 72.44 C ATOM 803 CZ PHE A 49 22.788 2.681 -10.989 1.00 21.02 C ATOM 0 H PHE A 49 21.100 -1.728 -6.860 1.00 45.43 H new ATOM 0 HA PHE A 49 23.088 0.223 -7.074 1.00 63.34 H new ATOM 0 HB2 PHE A 49 20.494 -0.257 -8.043 1.00 51.54 H new ATOM 0 HB3 PHE A 49 20.347 1.255 -7.170 1.00 51.54 H new ATOM 0 HD1 PHE A 49 21.857 3.183 -7.790 1.00 62.12 H new ATOM 0 HD2 PHE A 49 21.610 -0.360 -10.143 1.00 50.14 H new ATOM 0 HE1 PHE A 49 22.848 4.380 -9.694 1.00 32.33 H new ATOM 0 HE2 PHE A 49 22.602 0.834 -12.047 1.00 72.44 H new ATOM 0 HZ PHE A 49 23.225 3.206 -11.826 1.00 21.02 H new ATOM 813 N ILE A 50 21.321 0.420 -4.373 1.00 73.53 N ATOM 814 CA ILE A 50 21.164 1.120 -3.105 1.00 4.03 C ATOM 815 C ILE A 50 22.424 1.002 -2.253 1.00 34.02 C ATOM 816 O ILE A 50 23.155 1.975 -2.071 1.00 52.04 O ATOM 817 CB ILE A 50 19.965 0.577 -2.306 1.00 31.02 C ATOM 818 CG1 ILE A 50 18.694 0.624 -3.157 1.00 1.34 C ATOM 819 CG2 ILE A 50 19.779 1.373 -1.022 1.00 65.43 C ATOM 820 CD1 ILE A 50 18.242 2.029 -3.490 1.00 63.23 C ATOM 0 H ILE A 50 20.867 -0.493 -4.410 1.00 73.53 H new ATOM 0 HA ILE A 50 20.986 2.169 -3.343 1.00 4.03 H new ATOM 0 HB ILE A 50 20.164 -0.461 -2.041 1.00 31.02 H new ATOM 0 HG12 ILE A 50 18.867 0.077 -4.084 1.00 1.34 H new ATOM 0 HG13 ILE A 50 17.892 0.109 -2.627 1.00 1.34 H new ATOM 0 HG21 ILE A 50 18.928 0.977 -0.468 1.00 65.43 H new ATOM 0 HG22 ILE A 50 20.678 1.293 -0.411 1.00 65.43 H new ATOM 0 HG23 ILE A 50 19.598 2.420 -1.266 1.00 65.43 H new ATOM 0 HD11 ILE A 50 17.336 1.986 -4.095 1.00 63.23 H new ATOM 0 HD12 ILE A 50 18.037 2.573 -2.568 1.00 63.23 H new ATOM 0 HD13 ILE A 50 19.026 2.541 -4.047 1.00 63.23 H new ATOM 832 N GLN A 51 22.670 -0.197 -1.734 1.00 45.33 N ATOM 833 CA GLN A 51 23.843 -0.442 -0.902 1.00 54.13 C ATOM 834 C GLN A 51 24.379 -1.853 -1.119 1.00 74.14 C ATOM 835 O GLN A 51 23.621 -2.823 -1.112 1.00 61.43 O ATOM 836 CB GLN A 51 23.498 -0.236 0.574 1.00 45.22 C ATOM 837 CG GLN A 51 24.558 0.536 1.343 1.00 11.43 C ATOM 838 CD GLN A 51 23.973 1.364 2.471 1.00 61.11 C ATOM 839 OE1 GLN A 51 22.814 1.777 2.417 1.00 23.20 O ATOM 840 NE2 GLN A 51 24.774 1.611 3.501 1.00 34.22 N ATOM 0 H GLN A 51 22.074 -1.013 -1.875 1.00 45.33 H new ATOM 0 HA GLN A 51 24.617 0.269 -1.190 1.00 54.13 H new ATOM 0 HB2 GLN A 51 22.549 0.295 0.646 1.00 45.22 H new ATOM 0 HB3 GLN A 51 23.355 -1.209 1.045 1.00 45.22 H new ATOM 0 HG2 GLN A 51 25.287 -0.164 1.751 1.00 11.43 H new ATOM 0 HG3 GLN A 51 25.095 1.191 0.657 1.00 11.43 H new ATOM 0 HE21 GLN A 51 25.728 1.249 3.504 1.00 34.22 H new ATOM 0 HE22 GLN A 51 24.436 2.163 4.289 1.00 34.22 H new ATOM 849 N SER A 52 25.689 -1.960 -1.313 1.00 3.23 N ATOM 850 CA SER A 52 26.326 -3.252 -1.536 1.00 64.33 C ATOM 851 C SER A 52 25.967 -4.234 -0.425 1.00 65.21 C ATOM 852 O SER A 52 25.893 -5.443 -0.648 1.00 44.20 O ATOM 853 CB SER A 52 27.845 -3.089 -1.617 1.00 4.21 C ATOM 854 OG SER A 52 28.346 -2.406 -0.481 1.00 11.34 O ATOM 0 H SER A 52 26.330 -1.167 -1.320 1.00 3.23 H new ATOM 0 HA SER A 52 25.960 -3.651 -2.482 1.00 64.33 H new ATOM 0 HB2 SER A 52 28.316 -4.069 -1.693 1.00 4.21 H new ATOM 0 HB3 SER A 52 28.107 -2.539 -2.521 1.00 4.21 H new ATOM 0 HG SER A 52 29.319 -2.316 -0.556 1.00 11.34 H new ATOM 860 N LYS A 53 25.745 -3.706 0.774 1.00 44.14 N ATOM 861 CA LYS A 53 25.393 -4.533 1.921 1.00 32.15 C ATOM 862 C LYS A 53 24.060 -4.095 2.519 1.00 13.41 C ATOM 863 O LYS A 53 23.946 -3.002 3.072 1.00 11.42 O ATOM 864 CB LYS A 53 26.490 -4.459 2.986 1.00 50.12 C ATOM 865 CG LYS A 53 27.518 -5.572 2.879 1.00 74.24 C ATOM 866 CD LYS A 53 28.924 -5.020 2.717 1.00 12.54 C ATOM 867 CE LYS A 53 29.942 -5.855 3.478 1.00 32.40 C ATOM 868 NZ LYS A 53 31.126 -5.051 3.886 1.00 5.40 N ATOM 0 H LYS A 53 25.803 -2.708 0.976 1.00 44.14 H new ATOM 0 HA LYS A 53 25.297 -5.563 1.578 1.00 32.15 H new ATOM 0 HB2 LYS A 53 26.998 -3.498 2.906 1.00 50.12 H new ATOM 0 HB3 LYS A 53 26.029 -4.495 3.973 1.00 50.12 H new ATOM 0 HG2 LYS A 53 27.472 -6.197 3.771 1.00 74.24 H new ATOM 0 HG3 LYS A 53 27.277 -6.211 2.029 1.00 74.24 H new ATOM 0 HD2 LYS A 53 29.188 -4.998 1.660 1.00 12.54 H new ATOM 0 HD3 LYS A 53 28.955 -3.991 3.075 1.00 12.54 H new ATOM 0 HE2 LYS A 53 29.471 -6.283 4.363 1.00 32.40 H new ATOM 0 HE3 LYS A 53 30.266 -6.688 2.855 1.00 32.40 H new ATOM 0 HZ1 LYS A 53 31.796 -5.657 4.402 1.00 5.40 H new ATOM 0 HZ2 LYS A 53 31.590 -4.663 3.040 1.00 5.40 H new ATOM 0 HZ3 LYS A 53 30.820 -4.270 4.502 1.00 5.40 H new ATOM 882 N GLY A 54 23.053 -4.956 2.405 1.00 40.21 N ATOM 883 CA GLY A 54 21.742 -4.639 2.940 1.00 73.21 C ATOM 884 C GLY A 54 20.623 -5.314 2.171 1.00 43.25 C ATOM 885 O GLY A 54 19.737 -5.930 2.762 1.00 34.24 O ATOM 0 H GLY A 54 23.122 -5.867 1.952 1.00 40.21 H new ATOM 0 HA2 GLY A 54 21.696 -4.944 3.985 1.00 73.21 H new ATOM 0 HA3 GLY A 54 21.595 -3.559 2.917 1.00 73.21 H new ATOM 889 N HIS A 55 20.663 -5.196 0.847 1.00 71.40 N ATOM 890 CA HIS A 55 19.644 -5.799 -0.005 1.00 31.32 C ATOM 891 C HIS A 55 19.811 -7.315 -0.063 1.00 1.34 C ATOM 892 O HIS A 55 20.839 -7.818 -0.516 1.00 55.41 O ATOM 893 CB HIS A 55 19.715 -5.212 -1.415 1.00 22.51 C ATOM 894 CG HIS A 55 20.954 -5.599 -2.162 1.00 42.14 C ATOM 895 ND1 HIS A 55 22.208 -5.129 -1.834 1.00 64.14 N ATOM 896 CD2 HIS A 55 21.127 -6.417 -3.227 1.00 30.12 C ATOM 897 CE1 HIS A 55 23.099 -5.640 -2.666 1.00 31.13 C ATOM 898 NE2 HIS A 55 22.468 -6.426 -3.520 1.00 45.43 N ATOM 0 H HIS A 55 21.389 -4.689 0.342 1.00 71.40 H new ATOM 0 HA HIS A 55 18.668 -5.575 0.425 1.00 31.32 H new ATOM 0 HB2 HIS A 55 18.842 -5.539 -1.980 1.00 22.51 H new ATOM 0 HB3 HIS A 55 19.664 -4.125 -1.350 1.00 22.51 H new ATOM 0 HD1 HIS A 55 22.416 -4.487 -1.069 1.00 64.14 H new ATOM 0 HD2 HIS A 55 20.354 -6.961 -3.749 1.00 30.12 H new ATOM 0 HE1 HIS A 55 24.162 -5.448 -2.650 1.00 31.13 H new ATOM 906 N GLU A 56 18.795 -8.036 0.400 1.00 12.35 N ATOM 907 CA GLU A 56 18.831 -9.493 0.402 1.00 24.44 C ATOM 908 C GLU A 56 17.478 -10.072 0.000 1.00 31.20 C ATOM 909 O GLU A 56 16.453 -9.766 0.610 1.00 13.22 O ATOM 910 CB GLU A 56 19.230 -10.014 1.785 1.00 44.12 C ATOM 911 CG GLU A 56 20.547 -10.772 1.793 1.00 3.21 C ATOM 912 CD GLU A 56 20.355 -12.276 1.794 1.00 12.11 C ATOM 913 OE1 GLU A 56 19.963 -12.824 0.742 1.00 13.15 O ATOM 914 OE2 GLU A 56 20.596 -12.905 2.846 1.00 54.34 O ATOM 0 H GLU A 56 17.937 -7.635 0.778 1.00 12.35 H new ATOM 0 HA GLU A 56 19.575 -9.813 -0.328 1.00 24.44 H new ATOM 0 HB2 GLU A 56 19.300 -9.173 2.474 1.00 44.12 H new ATOM 0 HB3 GLU A 56 18.442 -10.668 2.159 1.00 44.12 H new ATOM 0 HG2 GLU A 56 21.132 -10.485 0.919 1.00 3.21 H new ATOM 0 HG3 GLU A 56 21.123 -10.483 2.672 1.00 3.21 H new ATOM 921 N LEU A 57 17.482 -10.910 -1.031 1.00 4.11 N ATOM 922 CA LEU A 57 16.256 -11.532 -1.516 1.00 75.15 C ATOM 923 C LEU A 57 15.764 -12.599 -0.543 1.00 52.32 C ATOM 924 O LEU A 57 16.477 -13.558 -0.244 1.00 12.41 O ATOM 925 CB LEU A 57 16.486 -12.152 -2.896 1.00 11.40 C ATOM 926 CG LEU A 57 16.852 -11.178 -4.017 1.00 12.45 C ATOM 927 CD1 LEU A 57 16.021 -9.908 -3.912 1.00 45.23 C ATOM 928 CD2 LEU A 57 18.337 -10.850 -3.975 1.00 24.51 C ATOM 0 H LEU A 57 18.321 -11.174 -1.547 1.00 4.11 H new ATOM 0 HA LEU A 57 15.492 -10.758 -1.594 1.00 75.15 H new ATOM 0 HB2 LEU A 57 17.281 -12.893 -2.811 1.00 11.40 H new ATOM 0 HB3 LEU A 57 15.582 -12.687 -3.187 1.00 11.40 H new ATOM 0 HG LEU A 57 16.632 -11.654 -4.973 1.00 12.45 H new ATOM 0 HD11 LEU A 57 16.295 -9.226 -4.717 1.00 45.23 H new ATOM 0 HD12 LEU A 57 14.963 -10.158 -3.992 1.00 45.23 H new ATOM 0 HD13 LEU A 57 16.209 -9.429 -2.951 1.00 45.23 H new ATOM 0 HD21 LEU A 57 18.579 -10.156 -4.780 1.00 24.51 H new ATOM 0 HD22 LEU A 57 18.582 -10.393 -3.016 1.00 24.51 H new ATOM 0 HD23 LEU A 57 18.915 -11.765 -4.099 1.00 24.51 H new ATOM 940 N LEU A 58 14.541 -12.427 -0.054 1.00 11.22 N ATOM 941 CA LEU A 58 13.952 -13.376 0.884 1.00 31.05 C ATOM 942 C LEU A 58 14.022 -14.798 0.337 1.00 43.12 C ATOM 943 O LEU A 58 14.615 -15.682 0.953 1.00 23.11 O ATOM 944 CB LEU A 58 12.498 -13.001 1.175 1.00 53.42 C ATOM 945 CG LEU A 58 12.082 -13.015 2.646 1.00 33.11 C ATOM 946 CD1 LEU A 58 11.737 -11.611 3.117 1.00 1.13 C ATOM 947 CD2 LEU A 58 10.904 -13.955 2.858 1.00 54.10 C ATOM 0 H LEU A 58 13.938 -11.639 -0.291 1.00 11.22 H new ATOM 0 HA LEU A 58 14.524 -13.334 1.811 1.00 31.05 H new ATOM 0 HB2 LEU A 58 12.314 -12.003 0.776 1.00 53.42 H new ATOM 0 HB3 LEU A 58 11.851 -13.687 0.629 1.00 53.42 H new ATOM 0 HG LEU A 58 12.922 -13.378 3.238 1.00 33.11 H new ATOM 0 HD11 LEU A 58 11.443 -11.641 4.166 1.00 1.13 H new ATOM 0 HD12 LEU A 58 12.607 -10.965 3.002 1.00 1.13 H new ATOM 0 HD13 LEU A 58 10.913 -11.219 2.521 1.00 1.13 H new ATOM 0 HD21 LEU A 58 10.621 -13.952 3.911 1.00 54.10 H new ATOM 0 HD22 LEU A 58 10.060 -13.622 2.255 1.00 54.10 H new ATOM 0 HD23 LEU A 58 11.186 -14.965 2.561 1.00 54.10 H new ATOM 959 N ASN A 59 13.415 -15.009 -0.826 1.00 74.41 N ATOM 960 CA ASN A 59 13.410 -16.324 -1.458 1.00 52.21 C ATOM 961 C ASN A 59 13.783 -16.219 -2.934 1.00 34.22 C ATOM 962 O ASN A 59 13.106 -16.779 -3.797 1.00 2.14 O ATOM 963 CB ASN A 59 12.034 -16.977 -1.313 1.00 60.41 C ATOM 964 CG ASN A 59 12.113 -18.492 -1.292 1.00 54.35 C ATOM 965 OD1 ASN A 59 12.071 -19.141 -2.338 1.00 3.23 O ATOM 966 ND2 ASN A 59 12.226 -19.062 -0.099 1.00 4.14 N ATOM 0 H ASN A 59 12.920 -14.287 -1.350 1.00 74.41 H new ATOM 0 HA ASN A 59 14.153 -16.944 -0.957 1.00 52.21 H new ATOM 0 HB2 ASN A 59 11.564 -16.627 -0.394 1.00 60.41 H new ATOM 0 HB3 ASN A 59 11.396 -16.660 -2.138 1.00 60.41 H new ATOM 0 HD21 ASN A 59 12.282 -20.078 -0.022 1.00 4.14 H new ATOM 0 HD22 ASN A 59 12.257 -18.485 0.741 1.00 4.14 H new ATOM 973 N SER A 60 14.864 -15.499 -3.216 1.00 15.01 N ATOM 974 CA SER A 60 15.325 -15.318 -4.587 1.00 61.02 C ATOM 975 C SER A 60 14.161 -14.973 -5.511 1.00 71.52 C ATOM 976 O SER A 60 13.072 -14.624 -5.054 1.00 1.15 O ATOM 977 CB SER A 60 16.027 -16.584 -5.083 1.00 11.13 C ATOM 978 OG SER A 60 15.105 -17.475 -5.686 1.00 30.43 O ATOM 0 H SER A 60 15.437 -15.032 -2.513 1.00 15.01 H new ATOM 0 HA SER A 60 16.033 -14.490 -4.599 1.00 61.02 H new ATOM 0 HB2 SER A 60 16.802 -16.316 -5.801 1.00 11.13 H new ATOM 0 HB3 SER A 60 16.523 -17.079 -4.248 1.00 11.13 H new ATOM 0 HG SER A 60 14.294 -17.527 -5.138 1.00 30.43 H new ATOM 984 N LEU A 61 14.398 -15.074 -6.814 1.00 64.53 N ATOM 985 CA LEU A 61 13.371 -14.774 -7.805 1.00 14.11 C ATOM 986 C LEU A 61 13.148 -15.961 -8.736 1.00 32.40 C ATOM 987 O LEU A 61 14.102 -16.569 -9.222 1.00 32.32 O ATOM 988 CB LEU A 61 13.764 -13.540 -8.619 1.00 1.13 C ATOM 989 CG LEU A 61 15.222 -13.473 -9.074 1.00 62.21 C ATOM 990 CD1 LEU A 61 15.315 -12.917 -10.486 1.00 44.43 C ATOM 991 CD2 LEU A 61 16.044 -12.629 -8.111 1.00 13.12 C ATOM 0 H LEU A 61 15.293 -15.362 -7.209 1.00 64.53 H new ATOM 0 HA LEU A 61 12.440 -14.571 -7.276 1.00 14.11 H new ATOM 0 HB2 LEU A 61 13.126 -13.493 -9.502 1.00 1.13 H new ATOM 0 HB3 LEU A 61 13.549 -12.653 -8.023 1.00 1.13 H new ATOM 0 HG LEU A 61 15.628 -14.484 -9.076 1.00 62.21 H new ATOM 0 HD11 LEU A 61 16.360 -12.877 -10.793 1.00 44.43 H new ATOM 0 HD12 LEU A 61 14.761 -13.562 -11.168 1.00 44.43 H new ATOM 0 HD13 LEU A 61 14.891 -11.913 -10.511 1.00 44.43 H new ATOM 0 HD21 LEU A 61 17.079 -12.593 -8.451 1.00 13.12 H new ATOM 0 HD22 LEU A 61 15.638 -11.618 -8.076 1.00 13.12 H new ATOM 0 HD23 LEU A 61 16.005 -13.071 -7.115 1.00 13.12 H new ATOM 1003 N ARG A 62 11.882 -16.285 -8.982 1.00 4.32 N ATOM 1004 CA ARG A 62 11.534 -17.399 -9.856 1.00 5.43 C ATOM 1005 C ARG A 62 11.345 -16.923 -11.293 1.00 72.22 C ATOM 1006 O ARG A 62 10.218 -16.811 -11.778 1.00 24.24 O ATOM 1007 CB ARG A 62 10.259 -18.083 -9.361 1.00 70.42 C ATOM 1008 CG ARG A 62 10.210 -19.572 -9.664 1.00 24.12 C ATOM 1009 CD ARG A 62 10.664 -20.398 -8.470 1.00 70.24 C ATOM 1010 NE ARG A 62 9.676 -21.407 -8.096 1.00 3.22 N ATOM 1011 CZ ARG A 62 9.480 -22.531 -8.775 1.00 62.23 C ATOM 1012 NH1 ARG A 62 10.200 -22.790 -9.858 1.00 42.52 N ATOM 1013 NH2 ARG A 62 8.562 -23.400 -8.371 1.00 64.35 N ATOM 0 H ARG A 62 11.081 -15.792 -8.588 1.00 4.32 H new ATOM 0 HA ARG A 62 12.354 -18.116 -9.834 1.00 5.43 H new ATOM 0 HB2 ARG A 62 10.173 -17.937 -8.284 1.00 70.42 H new ATOM 0 HB3 ARG A 62 9.396 -17.599 -9.818 1.00 70.42 H new ATOM 0 HG2 ARG A 62 9.194 -19.855 -9.939 1.00 24.12 H new ATOM 0 HG3 ARG A 62 10.845 -19.791 -10.522 1.00 24.12 H new ATOM 0 HD2 ARG A 62 11.610 -20.886 -8.705 1.00 70.24 H new ATOM 0 HD3 ARG A 62 10.848 -19.739 -7.622 1.00 70.24 H new ATOM 0 HE ARG A 62 9.105 -21.239 -7.268 1.00 3.22 H new ATOM 0 HH11 ARG A 62 10.907 -22.125 -10.172 1.00 42.52 H new ATOM 0 HH12 ARG A 62 10.047 -23.654 -10.377 1.00 42.52 H new ATOM 0 HH21 ARG A 62 8.006 -23.205 -7.538 1.00 64.35 H new ATOM 0 HH22 ARG A 62 8.412 -24.263 -8.893 1.00 64.35 H new ATOM 1027 N PHE A 63 12.454 -16.644 -11.970 1.00 31.40 N ATOM 1028 CA PHE A 63 12.410 -16.180 -13.351 1.00 41.44 C ATOM 1029 C PHE A 63 12.108 -17.333 -14.304 1.00 12.30 C ATOM 1030 O PHE A 63 11.665 -18.400 -13.882 1.00 72.03 O ATOM 1031 CB PHE A 63 13.738 -15.523 -13.733 1.00 42.32 C ATOM 1032 CG PHE A 63 14.869 -16.500 -13.885 1.00 74.10 C ATOM 1033 CD1 PHE A 63 15.513 -17.013 -12.771 1.00 12.04 C ATOM 1034 CD2 PHE A 63 15.287 -16.906 -15.142 1.00 35.30 C ATOM 1035 CE1 PHE A 63 16.554 -17.912 -12.908 1.00 14.23 C ATOM 1036 CE2 PHE A 63 16.327 -17.805 -15.285 1.00 73.33 C ATOM 1037 CZ PHE A 63 16.960 -18.309 -14.166 1.00 63.45 C ATOM 0 H PHE A 63 13.394 -16.731 -11.584 1.00 31.40 H new ATOM 0 HA PHE A 63 11.610 -15.444 -13.435 1.00 41.44 H new ATOM 0 HB2 PHE A 63 13.609 -14.980 -14.669 1.00 42.32 H new ATOM 0 HB3 PHE A 63 14.003 -14.789 -12.972 1.00 42.32 H new ATOM 0 HD1 PHE A 63 15.198 -16.707 -11.784 1.00 12.04 H new ATOM 0 HD2 PHE A 63 14.794 -16.515 -16.020 1.00 35.30 H new ATOM 0 HE1 PHE A 63 17.049 -18.303 -12.032 1.00 14.23 H new ATOM 0 HE2 PHE A 63 16.644 -18.113 -16.270 1.00 73.33 H new ATOM 0 HZ PHE A 63 17.772 -19.013 -14.275 1.00 63.45 H new ATOM 1047 N ASN A 64 12.350 -17.108 -15.591 1.00 43.03 N ATOM 1048 CA ASN A 64 12.103 -18.127 -16.605 1.00 22.12 C ATOM 1049 C ASN A 64 10.610 -18.263 -16.887 1.00 20.23 C ATOM 1050 O ASN A 64 10.176 -18.183 -18.035 1.00 40.45 O ATOM 1051 CB ASN A 64 12.673 -19.473 -16.154 1.00 22.43 C ATOM 1052 CG ASN A 64 13.609 -20.079 -17.182 1.00 5.41 C ATOM 1053 OD1 ASN A 64 13.415 -21.211 -17.624 1.00 64.00 O ATOM 1054 ND2 ASN A 64 14.632 -19.324 -17.567 1.00 62.11 N ATOM 0 H ASN A 64 12.717 -16.229 -15.957 1.00 43.03 H new ATOM 0 HA ASN A 64 12.601 -17.818 -17.524 1.00 22.12 H new ATOM 0 HB2 ASN A 64 13.208 -19.341 -15.213 1.00 22.43 H new ATOM 0 HB3 ASN A 64 11.853 -20.165 -15.961 1.00 22.43 H new ATOM 0 HD21 ASN A 64 15.296 -19.677 -18.256 1.00 62.11 H new ATOM 0 HD22 ASN A 64 14.754 -18.391 -17.174 1.00 62.11 H new ATOM 1061 N GLN A 65 9.830 -18.469 -15.830 1.00 63.22 N ATOM 1062 CA GLN A 65 8.386 -18.616 -15.965 1.00 31.44 C ATOM 1063 C GLN A 65 7.709 -17.255 -16.084 1.00 72.14 C ATOM 1064 O GLN A 65 8.376 -16.227 -16.199 1.00 33.31 O ATOM 1065 CB GLN A 65 7.816 -19.379 -14.767 1.00 42.11 C ATOM 1066 CG GLN A 65 7.388 -20.800 -15.098 1.00 44.42 C ATOM 1067 CD GLN A 65 8.283 -21.843 -14.458 1.00 1.40 C ATOM 1068 OE1 GLN A 65 9.151 -22.420 -15.114 1.00 10.33 O ATOM 1069 NE2 GLN A 65 8.076 -22.090 -13.170 1.00 24.22 N ATOM 0 H GLN A 65 10.174 -18.538 -14.872 1.00 63.22 H new ATOM 0 HA GLN A 65 8.187 -19.181 -16.876 1.00 31.44 H new ATOM 0 HB2 GLN A 65 8.565 -19.409 -13.976 1.00 42.11 H new ATOM 0 HB3 GLN A 65 6.959 -18.833 -14.373 1.00 42.11 H new ATOM 0 HG2 GLN A 65 6.362 -20.953 -14.764 1.00 44.42 H new ATOM 0 HG3 GLN A 65 7.395 -20.935 -16.180 1.00 44.42 H new ATOM 0 HE21 GLN A 65 7.345 -21.588 -12.665 1.00 24.22 H new ATOM 0 HE22 GLN A 65 8.648 -22.782 -12.685 1.00 24.22 H new ATOM 1078 N ALA A 66 6.380 -17.256 -16.058 1.00 20.33 N ATOM 1079 CA ALA A 66 5.613 -16.021 -16.162 1.00 32.33 C ATOM 1080 C ALA A 66 6.114 -14.979 -15.168 1.00 53.51 C ATOM 1081 O ALA A 66 6.899 -15.288 -14.272 1.00 41.01 O ATOM 1082 CB ALA A 66 4.134 -16.299 -15.938 1.00 54.51 C ATOM 0 H ALA A 66 5.812 -18.098 -15.966 1.00 20.33 H new ATOM 0 HA ALA A 66 5.748 -15.621 -17.167 1.00 32.33 H new ATOM 0 HB1 ALA A 66 3.573 -15.368 -16.018 1.00 54.51 H new ATOM 0 HB2 ALA A 66 3.778 -17.003 -16.690 1.00 54.51 H new ATOM 0 HB3 ALA A 66 3.990 -16.725 -14.945 1.00 54.51 H new ATOM 1088 N ASP A 67 5.655 -13.743 -15.333 1.00 41.23 N ATOM 1089 CA ASP A 67 6.057 -12.654 -14.450 1.00 54.12 C ATOM 1090 C ASP A 67 5.959 -13.076 -12.988 1.00 23.34 C ATOM 1091 O ASP A 67 4.879 -13.403 -12.497 1.00 32.34 O ATOM 1092 CB ASP A 67 5.186 -11.421 -14.697 1.00 35.11 C ATOM 1093 CG ASP A 67 3.750 -11.630 -14.258 1.00 15.42 C ATOM 1094 OD1 ASP A 67 2.937 -12.095 -15.085 1.00 4.11 O ATOM 1095 OD2 ASP A 67 3.438 -11.328 -13.087 1.00 31.31 O ATOM 0 H ASP A 67 5.005 -13.470 -16.070 1.00 41.23 H new ATOM 0 HA ASP A 67 7.095 -12.406 -14.669 1.00 54.12 H new ATOM 0 HB2 ASP A 67 5.606 -10.570 -14.162 1.00 35.11 H new ATOM 0 HB3 ASP A 67 5.206 -11.172 -15.758 1.00 35.11 H new ATOM 1100 N TRP A 68 7.094 -13.068 -12.298 1.00 43.12 N ATOM 1101 CA TRP A 68 7.137 -13.452 -10.892 1.00 12.54 C ATOM 1102 C TRP A 68 7.351 -12.233 -10.001 1.00 54.52 C ATOM 1103 O TRP A 68 7.411 -11.101 -10.484 1.00 12.04 O ATOM 1104 CB TRP A 68 8.250 -14.474 -10.654 1.00 14.40 C ATOM 1105 CG TRP A 68 7.889 -15.521 -9.644 1.00 54.14 C ATOM 1106 CD1 TRP A 68 8.439 -15.690 -8.406 1.00 40.20 C ATOM 1107 CD2 TRP A 68 6.898 -16.545 -9.789 1.00 3.25 C ATOM 1108 NE1 TRP A 68 7.851 -16.757 -7.772 1.00 35.24 N ATOM 1109 CE2 TRP A 68 6.902 -17.298 -8.598 1.00 74.12 C ATOM 1110 CE3 TRP A 68 6.008 -16.897 -10.806 1.00 73.40 C ATOM 1111 CZ2 TRP A 68 6.050 -18.382 -8.401 1.00 51.30 C ATOM 1112 CZ3 TRP A 68 5.163 -17.973 -10.609 1.00 23.31 C ATOM 1113 CH2 TRP A 68 5.188 -18.705 -9.414 1.00 4.30 C ATOM 0 H TRP A 68 7.997 -12.800 -12.690 1.00 43.12 H new ATOM 0 HA TRP A 68 6.178 -13.903 -10.635 1.00 12.54 H new ATOM 0 HB2 TRP A 68 8.495 -14.960 -11.598 1.00 14.40 H new ATOM 0 HB3 TRP A 68 9.147 -13.952 -10.321 1.00 14.40 H new ATOM 0 HD1 TRP A 68 9.222 -15.075 -7.987 1.00 40.20 H new ATOM 0 HE1 TRP A 68 8.083 -17.092 -6.837 1.00 35.24 H new ATOM 0 HE3 TRP A 68 5.980 -16.338 -11.730 1.00 73.40 H new ATOM 0 HZ2 TRP A 68 6.069 -18.948 -7.481 1.00 51.30 H new ATOM 0 HZ3 TRP A 68 4.472 -18.255 -11.389 1.00 23.31 H new ATOM 0 HH2 TRP A 68 4.514 -19.540 -9.290 1.00 4.30 H new ATOM 1124 N THR A 69 7.465 -12.469 -8.698 1.00 63.50 N ATOM 1125 CA THR A 69 7.672 -11.390 -7.740 1.00 75.52 C ATOM 1126 C THR A 69 8.856 -11.685 -6.827 1.00 32.12 C ATOM 1127 O THR A 69 9.012 -12.805 -6.339 1.00 62.05 O ATOM 1128 CB THR A 69 6.417 -11.158 -6.877 1.00 22.31 C ATOM 1129 OG1 THR A 69 5.719 -12.394 -6.685 1.00 2.34 O ATOM 1130 CG2 THR A 69 5.491 -10.143 -7.530 1.00 22.13 C ATOM 0 H THR A 69 7.417 -13.399 -8.281 1.00 63.50 H new ATOM 0 HA THR A 69 7.879 -10.489 -8.318 1.00 75.52 H new ATOM 0 HB THR A 69 6.735 -10.767 -5.911 1.00 22.31 H new ATOM 0 HG1 THR A 69 4.924 -12.238 -6.134 1.00 2.34 H new ATOM 0 HG21 THR A 69 4.612 -9.996 -6.902 1.00 22.13 H new ATOM 0 HG22 THR A 69 6.016 -9.195 -7.648 1.00 22.13 H new ATOM 0 HG23 THR A 69 5.181 -10.510 -8.508 1.00 22.13 H new ATOM 1138 N ILE A 70 9.687 -10.674 -6.598 1.00 53.34 N ATOM 1139 CA ILE A 70 10.856 -10.825 -5.741 1.00 40.14 C ATOM 1140 C ILE A 70 10.781 -9.890 -4.539 1.00 32.42 C ATOM 1141 O ILE A 70 10.703 -8.671 -4.690 1.00 62.11 O ATOM 1142 CB ILE A 70 12.159 -10.546 -6.513 1.00 64.21 C ATOM 1143 CG1 ILE A 70 13.349 -10.507 -5.551 1.00 72.03 C ATOM 1144 CG2 ILE A 70 12.050 -9.238 -7.282 1.00 61.34 C ATOM 1145 CD1 ILE A 70 13.465 -11.740 -4.683 1.00 71.54 C ATOM 0 H ILE A 70 9.572 -9.741 -6.994 1.00 53.34 H new ATOM 0 HA ILE A 70 10.862 -11.858 -5.395 1.00 40.14 H new ATOM 0 HB ILE A 70 12.320 -11.353 -7.228 1.00 64.21 H new ATOM 0 HG12 ILE A 70 14.267 -10.390 -6.126 1.00 72.03 H new ATOM 0 HG13 ILE A 70 13.260 -9.629 -4.911 1.00 72.03 H new ATOM 0 HG21 ILE A 70 12.979 -9.055 -7.822 1.00 61.34 H new ATOM 0 HG22 ILE A 70 11.224 -9.300 -7.991 1.00 61.34 H new ATOM 0 HG23 ILE A 70 11.869 -8.420 -6.585 1.00 61.34 H new ATOM 0 HD11 ILE A 70 14.330 -11.643 -4.027 1.00 71.54 H new ATOM 0 HD12 ILE A 70 12.563 -11.847 -4.081 1.00 71.54 H new ATOM 0 HD13 ILE A 70 13.586 -12.620 -5.315 1.00 71.54 H new ATOM 1157 N VAL A 71 10.806 -10.470 -3.343 1.00 31.50 N ATOM 1158 CA VAL A 71 10.744 -9.690 -2.113 1.00 54.11 C ATOM 1159 C VAL A 71 12.141 -9.358 -1.601 1.00 52.04 C ATOM 1160 O VAL A 71 12.928 -10.252 -1.289 1.00 51.41 O ATOM 1161 CB VAL A 71 9.970 -10.439 -1.012 1.00 11.43 C ATOM 1162 CG1 VAL A 71 8.471 -10.335 -1.247 1.00 53.51 C ATOM 1163 CG2 VAL A 71 10.408 -11.894 -0.949 1.00 2.14 C ATOM 0 H VAL A 71 10.869 -11.478 -3.200 1.00 31.50 H new ATOM 0 HA VAL A 71 10.219 -8.765 -2.351 1.00 54.11 H new ATOM 0 HB VAL A 71 10.196 -9.973 -0.053 1.00 11.43 H new ATOM 0 HG11 VAL A 71 7.941 -10.870 -0.459 1.00 53.51 H new ATOM 0 HG12 VAL A 71 8.173 -9.287 -1.237 1.00 53.51 H new ATOM 0 HG13 VAL A 71 8.223 -10.774 -2.214 1.00 53.51 H new ATOM 0 HG21 VAL A 71 9.851 -12.408 -0.166 1.00 2.14 H new ATOM 0 HG22 VAL A 71 10.213 -12.374 -1.908 1.00 2.14 H new ATOM 0 HG23 VAL A 71 11.474 -11.944 -0.728 1.00 2.14 H new ATOM 1173 N VAL A 72 12.443 -8.066 -1.518 1.00 21.25 N ATOM 1174 CA VAL A 72 13.745 -7.615 -1.042 1.00 24.11 C ATOM 1175 C VAL A 72 13.633 -6.960 0.330 1.00 54.42 C ATOM 1176 O VAL A 72 12.857 -6.022 0.519 1.00 23.23 O ATOM 1177 CB VAL A 72 14.387 -6.617 -2.024 1.00 71.44 C ATOM 1178 CG1 VAL A 72 15.841 -6.366 -1.657 1.00 24.02 C ATOM 1179 CG2 VAL A 72 14.270 -7.127 -3.453 1.00 11.01 C ATOM 0 H VAL A 72 11.804 -7.314 -1.774 1.00 21.25 H new ATOM 0 HA VAL A 72 14.378 -8.499 -0.968 1.00 24.11 H new ATOM 0 HB VAL A 72 13.852 -5.670 -1.954 1.00 71.44 H new ATOM 0 HG11 VAL A 72 16.277 -5.659 -2.362 1.00 24.02 H new ATOM 0 HG12 VAL A 72 15.896 -5.955 -0.649 1.00 24.02 H new ATOM 0 HG13 VAL A 72 16.393 -7.305 -1.696 1.00 24.02 H new ATOM 0 HG21 VAL A 72 14.729 -6.410 -4.134 1.00 11.01 H new ATOM 0 HG22 VAL A 72 14.779 -8.087 -3.540 1.00 11.01 H new ATOM 0 HG23 VAL A 72 13.218 -7.250 -3.710 1.00 11.01 H new ATOM 1189 N ARG A 73 14.412 -7.459 1.284 1.00 54.41 N ATOM 1190 CA ARG A 73 14.399 -6.922 2.639 1.00 11.14 C ATOM 1191 C ARG A 73 15.571 -5.970 2.858 1.00 0.21 C ATOM 1192 O ARG A 73 16.731 -6.382 2.842 1.00 42.31 O ATOM 1193 CB ARG A 73 14.454 -8.059 3.661 1.00 12.25 C ATOM 1194 CG ARG A 73 15.485 -9.126 3.331 1.00 12.51 C ATOM 1195 CD ARG A 73 16.134 -9.681 4.589 1.00 44.02 C ATOM 1196 NE ARG A 73 15.200 -10.474 5.383 1.00 12.32 N ATOM 1197 CZ ARG A 73 15.454 -10.889 6.619 1.00 23.10 C ATOM 1198 NH1 ARG A 73 16.608 -10.588 7.199 1.00 61.33 N ATOM 1199 NH2 ARG A 73 14.553 -11.607 7.278 1.00 42.32 N ATOM 0 H ARG A 73 15.060 -8.234 1.144 1.00 54.41 H new ATOM 0 HA ARG A 73 13.471 -6.366 2.774 1.00 11.14 H new ATOM 0 HB2 ARG A 73 14.676 -7.643 4.643 1.00 12.25 H new ATOM 0 HB3 ARG A 73 13.471 -8.524 3.727 1.00 12.25 H new ATOM 0 HG2 ARG A 73 15.008 -9.936 2.779 1.00 12.51 H new ATOM 0 HG3 ARG A 73 16.251 -8.704 2.681 1.00 12.51 H new ATOM 0 HD2 ARG A 73 16.990 -10.297 4.314 1.00 44.02 H new ATOM 0 HD3 ARG A 73 16.515 -8.858 5.193 1.00 44.02 H new ATOM 0 HE ARG A 73 14.303 -10.723 4.966 1.00 12.32 H new ATOM 0 HH11 ARG A 73 17.303 -10.037 6.696 1.00 61.33 H new ATOM 0 HH12 ARG A 73 16.800 -10.908 8.148 1.00 61.33 H new ATOM 0 HH21 ARG A 73 13.664 -11.841 6.835 1.00 42.32 H new ATOM 0 HH22 ARG A 73 14.749 -11.925 8.227 1.00 42.32 H new ATOM 1213 N LYS A 74 15.260 -4.694 3.062 1.00 23.22 N ATOM 1214 CA LYS A 74 16.286 -3.682 3.285 1.00 22.40 C ATOM 1215 C LYS A 74 17.040 -3.949 4.584 1.00 41.10 C ATOM 1216 O LYS A 74 16.518 -4.589 5.497 1.00 0.21 O ATOM 1217 CB LYS A 74 15.656 -2.288 3.325 1.00 25.23 C ATOM 1218 CG LYS A 74 15.531 -1.638 1.958 1.00 1.35 C ATOM 1219 CD LYS A 74 16.381 -0.382 1.858 1.00 22.23 C ATOM 1220 CE LYS A 74 15.550 0.873 2.076 1.00 73.33 C ATOM 1221 NZ LYS A 74 16.040 1.669 3.235 1.00 34.41 N ATOM 0 H LYS A 74 14.305 -4.336 3.077 1.00 23.22 H new ATOM 0 HA LYS A 74 16.995 -3.730 2.458 1.00 22.40 H new ATOM 0 HB2 LYS A 74 14.666 -2.358 3.776 1.00 25.23 H new ATOM 0 HB3 LYS A 74 16.256 -1.646 3.970 1.00 25.23 H new ATOM 0 HG2 LYS A 74 15.835 -2.347 1.188 1.00 1.35 H new ATOM 0 HG3 LYS A 74 14.487 -1.388 1.767 1.00 1.35 H new ATOM 0 HD2 LYS A 74 17.181 -0.423 2.598 1.00 22.23 H new ATOM 0 HD3 LYS A 74 16.855 -0.340 0.878 1.00 22.23 H new ATOM 0 HE2 LYS A 74 15.577 1.487 1.176 1.00 73.33 H new ATOM 0 HE3 LYS A 74 14.509 0.595 2.241 1.00 73.33 H new ATOM 0 HZ1 LYS A 74 15.255 1.839 3.896 1.00 34.41 H new ATOM 0 HZ2 LYS A 74 16.795 1.145 3.722 1.00 34.41 H new ATOM 0 HZ3 LYS A 74 16.413 2.580 2.898 1.00 34.41 H new ATOM 1235 N LYS A 75 18.270 -3.453 4.661 1.00 24.00 N ATOM 1236 CA LYS A 75 19.096 -3.635 5.849 1.00 1.30 C ATOM 1237 C LYS A 75 20.451 -2.955 5.679 1.00 11.12 C ATOM 1238 O LYS A 75 20.700 -2.289 4.675 1.00 62.24 O ATOM 1239 CB LYS A 75 19.294 -5.125 6.135 1.00 74.00 C ATOM 1240 CG LYS A 75 18.826 -5.546 7.517 1.00 35.51 C ATOM 1241 CD LYS A 75 19.986 -6.008 8.382 1.00 3.45 C ATOM 1242 CE LYS A 75 20.190 -7.512 8.286 1.00 10.24 C ATOM 1243 NZ LYS A 75 20.583 -8.103 9.595 1.00 23.04 N ATOM 0 H LYS A 75 18.717 -2.921 3.914 1.00 24.00 H new ATOM 0 HA LYS A 75 18.581 -3.175 6.692 1.00 1.30 H new ATOM 0 HB2 LYS A 75 18.755 -5.705 5.386 1.00 74.00 H new ATOM 0 HB3 LYS A 75 20.351 -5.370 6.028 1.00 74.00 H new ATOM 0 HG2 LYS A 75 18.320 -4.710 8.001 1.00 35.51 H new ATOM 0 HG3 LYS A 75 18.096 -6.350 7.426 1.00 35.51 H new ATOM 0 HD2 LYS A 75 20.897 -5.496 8.074 1.00 3.45 H new ATOM 0 HD3 LYS A 75 19.800 -5.731 9.420 1.00 3.45 H new ATOM 0 HE2 LYS A 75 19.270 -7.982 7.937 1.00 10.24 H new ATOM 0 HE3 LYS A 75 20.959 -7.728 7.545 1.00 10.24 H new ATOM 0 HZ1 LYS A 75 20.712 -9.129 9.488 1.00 23.04 H new ATOM 0 HZ2 LYS A 75 21.474 -7.673 9.916 1.00 23.04 H new ATOM 0 HZ3 LYS A 75 19.837 -7.920 10.297 1.00 23.04 H new ATOM 1257 N ALA A 76 21.323 -3.128 6.667 1.00 70.51 N ATOM 1258 CA ALA A 76 22.653 -2.535 6.624 1.00 5.34 C ATOM 1259 C ALA A 76 23.708 -3.514 7.127 1.00 22.43 C ATOM 1260 O ALA A 76 23.738 -3.856 8.310 1.00 32.42 O ATOM 1261 CB ALA A 76 22.686 -1.254 7.445 1.00 2.20 C ATOM 0 H ALA A 76 21.132 -3.674 7.507 1.00 70.51 H new ATOM 0 HA ALA A 76 22.883 -2.295 5.586 1.00 5.34 H new ATOM 0 HB1 ALA A 76 23.686 -0.821 7.404 1.00 2.20 H new ATOM 0 HB2 ALA A 76 21.966 -0.543 7.039 1.00 2.20 H new ATOM 0 HB3 ALA A 76 22.430 -1.479 8.480 1.00 2.20 H new TER 1267 ALA A 76