USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 647 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 7 ASN : amide:sc= -2.98 K(o=-3,f=-8.6!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.062 (180deg=0) USER MOD Single : A 4 SER OG : rot 58:sc= 0.00181 USER MOD Single : A 5 MET CE :methyl -124:sc= 0 (180deg=-0.0325) USER MOD Single : A 12 SER OG : rot 170:sc= -0.966 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.0717 (180deg=-0.391) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -0.913 (180deg=-1.92) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -71:sc= 1.14 USER MOD Single : A 40 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.0378 X(o=0.038,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.017) USER MOD Single : A 71 THR OG1 : rot 110:sc= -3.67! USER MOD Single : A 77 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.27) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.454 1.552 -9.139 1.00 12.24 N ATOM 2 CA GLY A 1 6.413 2.228 -8.285 1.00 23.44 C ATOM 3 C GLY A 1 5.905 2.403 -6.867 1.00 40.34 C ATOM 4 O GLY A 1 4.731 2.177 -6.574 1.00 21.35 O ATOM 0 H1 GLY A 1 5.797 0.594 -9.355 1.00 12.24 H new ATOM 0 H2 GLY A 1 4.538 1.490 -8.651 1.00 12.24 H new ATOM 0 H3 GLY A 1 5.339 2.087 -10.024 1.00 12.24 H new ATOM 0 HA2 GLY A 1 7.343 1.659 -8.267 1.00 23.44 H new ATOM 0 HA3 GLY A 1 6.645 3.206 -8.708 1.00 23.44 H new ATOM 8 N PRO A 2 6.802 2.815 -5.960 1.00 4.24 N ATOM 9 CA PRO A 2 6.462 3.029 -4.550 1.00 55.00 C ATOM 10 C PRO A 2 5.557 4.240 -4.350 1.00 1.33 C ATOM 11 O PRO A 2 4.545 4.163 -3.654 1.00 41.34 O ATOM 12 CB PRO A 2 7.822 3.262 -3.888 1.00 33.15 C ATOM 13 CG PRO A 2 8.692 3.777 -4.981 1.00 3.51 C ATOM 14 CD PRO A 2 8.219 3.104 -6.239 1.00 51.35 C ATOM 0 HA PRO A 2 5.908 2.188 -4.132 1.00 55.00 H new ATOM 0 HB2 PRO A 2 7.747 3.979 -3.071 1.00 33.15 H new ATOM 0 HB3 PRO A 2 8.220 2.339 -3.466 1.00 33.15 H new ATOM 0 HG2 PRO A 2 8.613 4.861 -5.065 1.00 3.51 H new ATOM 0 HG3 PRO A 2 9.740 3.548 -4.786 1.00 3.51 H new ATOM 0 HD2 PRO A 2 8.333 3.751 -7.108 1.00 51.35 H new ATOM 0 HD3 PRO A 2 8.782 2.193 -6.444 1.00 51.35 H new ATOM 22 N GLY A 3 5.929 5.359 -4.964 1.00 51.24 N ATOM 23 CA GLY A 3 5.140 6.571 -4.841 1.00 32.20 C ATOM 24 C GLY A 3 5.413 7.312 -3.547 1.00 63.51 C ATOM 25 O GLY A 3 4.577 8.083 -3.077 1.00 3.10 O ATOM 0 H GLY A 3 6.763 5.448 -5.545 1.00 51.24 H new ATOM 0 HA2 GLY A 3 5.355 7.228 -5.684 1.00 32.20 H new ATOM 0 HA3 GLY A 3 4.081 6.318 -4.895 1.00 32.20 H new ATOM 29 N SER A 4 6.587 7.076 -2.969 1.00 34.13 N ATOM 30 CA SER A 4 6.966 7.723 -1.718 1.00 31.51 C ATOM 31 C SER A 4 8.380 8.288 -1.806 1.00 22.02 C ATOM 32 O SER A 4 9.265 7.896 -1.046 1.00 2.01 O ATOM 33 CB SER A 4 6.872 6.730 -0.557 1.00 44.14 C ATOM 34 OG SER A 4 7.497 5.501 -0.886 1.00 10.23 O ATOM 0 H SER A 4 7.291 6.442 -3.347 1.00 34.13 H new ATOM 0 HA SER A 4 6.275 8.547 -1.539 1.00 31.51 H new ATOM 0 HB2 SER A 4 7.343 7.156 0.329 1.00 44.14 H new ATOM 0 HB3 SER A 4 5.825 6.554 -0.308 1.00 44.14 H new ATOM 0 HG SER A 4 8.435 5.663 -1.118 1.00 10.23 H new ATOM 40 N MET A 5 8.584 9.212 -2.739 1.00 63.00 N ATOM 41 CA MET A 5 9.890 9.833 -2.926 1.00 64.13 C ATOM 42 C MET A 5 9.744 11.292 -3.345 1.00 15.41 C ATOM 43 O MET A 5 8.637 11.764 -3.607 1.00 41.32 O ATOM 44 CB MET A 5 10.697 9.067 -3.977 1.00 51.51 C ATOM 45 CG MET A 5 11.520 7.928 -3.400 1.00 24.24 C ATOM 46 SD MET A 5 13.098 8.483 -2.726 1.00 21.22 S ATOM 47 CE MET A 5 14.059 8.673 -4.226 1.00 33.04 C ATOM 0 H MET A 5 7.862 9.547 -3.377 1.00 63.00 H new ATOM 0 HA MET A 5 10.420 9.798 -1.974 1.00 64.13 H new ATOM 0 HB2 MET A 5 10.014 8.667 -4.727 1.00 51.51 H new ATOM 0 HB3 MET A 5 11.362 9.762 -4.490 1.00 51.51 H new ATOM 0 HG2 MET A 5 10.948 7.433 -2.615 1.00 24.24 H new ATOM 0 HG3 MET A 5 11.702 7.186 -4.178 1.00 24.24 H new ATOM 0 HE1 MET A 5 14.965 8.070 -4.157 1.00 33.04 H new ATOM 0 HE2 MET A 5 13.468 8.343 -5.081 1.00 33.04 H new ATOM 0 HE3 MET A 5 14.330 9.721 -4.355 1.00 33.04 H new ATOM 57 N ASP A 6 10.865 12.002 -3.405 1.00 21.41 N ATOM 58 CA ASP A 6 10.861 13.408 -3.792 1.00 70.55 C ATOM 59 C ASP A 6 10.153 13.600 -5.130 1.00 13.43 C ATOM 60 O ASP A 6 9.410 14.563 -5.317 1.00 4.44 O ATOM 61 CB ASP A 6 12.292 13.939 -3.878 1.00 45.21 C ATOM 62 CG ASP A 6 13.109 13.604 -2.646 1.00 3.04 C ATOM 63 OD1 ASP A 6 12.522 13.538 -1.546 1.00 25.45 O ATOM 64 OD2 ASP A 6 14.336 13.409 -2.781 1.00 75.01 O ATOM 0 H ASP A 6 11.789 11.627 -3.190 1.00 21.41 H new ATOM 0 HA ASP A 6 10.319 13.968 -3.030 1.00 70.55 H new ATOM 0 HB2 ASP A 6 12.779 13.520 -4.758 1.00 45.21 H new ATOM 0 HB3 ASP A 6 12.268 15.021 -4.011 1.00 45.21 H new ATOM 69 N ASN A 7 10.389 12.678 -6.057 1.00 53.11 N ATOM 70 CA ASN A 7 9.775 12.748 -7.378 1.00 75.30 C ATOM 71 C ASN A 7 8.254 12.796 -7.269 1.00 14.21 C ATOM 72 O ASN A 7 7.588 13.498 -8.031 1.00 3.01 O ATOM 73 CB ASN A 7 10.198 11.546 -8.224 1.00 63.44 C ATOM 74 CG ASN A 7 9.560 10.253 -7.753 1.00 42.01 C ATOM 75 OD1 ASN A 7 8.398 9.978 -8.050 1.00 34.53 O ATOM 76 ND2 ASN A 7 10.320 9.453 -7.014 1.00 45.24 N ATOM 0 H ASN A 7 11.001 11.874 -5.918 1.00 53.11 H new ATOM 0 HA ASN A 7 10.116 13.663 -7.862 1.00 75.30 H new ATOM 0 HB2 ASN A 7 9.926 11.724 -9.264 1.00 63.44 H new ATOM 0 HB3 ASN A 7 11.283 11.446 -8.191 1.00 63.44 H new ATOM 0 HD21 ASN A 7 9.945 8.570 -6.668 1.00 45.24 H new ATOM 0 HD22 ASN A 7 11.279 9.722 -6.792 1.00 45.24 H new ATOM 83 N ASP A 8 7.710 12.046 -6.316 1.00 42.44 N ATOM 84 CA ASP A 8 6.268 12.005 -6.106 1.00 32.43 C ATOM 85 C ASP A 8 5.791 13.249 -5.362 1.00 60.54 C ATOM 86 O ASP A 8 4.594 13.430 -5.142 1.00 2.11 O ATOM 87 CB ASP A 8 5.881 10.748 -5.323 1.00 43.45 C ATOM 88 CG ASP A 8 6.519 9.495 -5.889 1.00 65.12 C ATOM 89 OD1 ASP A 8 6.068 9.030 -6.956 1.00 70.42 O ATOM 90 OD2 ASP A 8 7.470 8.979 -5.264 1.00 71.33 O ATOM 0 H ASP A 8 8.246 11.459 -5.677 1.00 42.44 H new ATOM 0 HA ASP A 8 5.784 11.980 -7.082 1.00 32.43 H new ATOM 0 HB2 ASP A 8 6.180 10.866 -4.281 1.00 43.45 H new ATOM 0 HB3 ASP A 8 4.797 10.637 -5.333 1.00 43.45 H new ATOM 95 N GLU A 9 6.736 14.101 -4.978 1.00 61.12 N ATOM 96 CA GLU A 9 6.412 15.326 -4.258 1.00 15.42 C ATOM 97 C GLU A 9 6.503 16.540 -5.179 1.00 22.50 C ATOM 98 O GLU A 9 5.830 17.548 -4.963 1.00 61.14 O ATOM 99 CB GLU A 9 7.351 15.507 -3.064 1.00 24.31 C ATOM 100 CG GLU A 9 6.735 16.289 -1.916 1.00 74.24 C ATOM 101 CD GLU A 9 7.481 16.095 -0.611 1.00 32.13 C ATOM 102 OE1 GLU A 9 8.691 15.789 -0.658 1.00 14.43 O ATOM 103 OE2 GLU A 9 6.854 16.249 0.459 1.00 41.24 O ATOM 0 H GLU A 9 7.732 13.965 -5.154 1.00 61.12 H new ATOM 0 HA GLU A 9 5.387 15.242 -3.896 1.00 15.42 H new ATOM 0 HB2 GLU A 9 7.656 14.526 -2.701 1.00 24.31 H new ATOM 0 HB3 GLU A 9 8.254 16.019 -3.397 1.00 24.31 H new ATOM 0 HG2 GLU A 9 6.723 17.349 -2.169 1.00 74.24 H new ATOM 0 HG3 GLU A 9 5.698 15.980 -1.786 1.00 74.24 H new ATOM 110 N ILE A 10 7.341 16.434 -6.205 1.00 31.21 N ATOM 111 CA ILE A 10 7.521 17.521 -7.159 1.00 15.10 C ATOM 112 C ILE A 10 6.271 17.718 -8.010 1.00 73.32 C ATOM 113 O ILE A 10 5.714 18.814 -8.070 1.00 54.04 O ATOM 114 CB ILE A 10 8.724 17.264 -8.085 1.00 53.24 C ATOM 115 CG1 ILE A 10 9.999 17.079 -7.261 1.00 64.31 C ATOM 116 CG2 ILE A 10 8.886 18.410 -9.073 1.00 4.45 C ATOM 117 CD1 ILE A 10 11.057 16.255 -7.962 1.00 31.55 C ATOM 0 H ILE A 10 7.906 15.607 -6.397 1.00 31.21 H new ATOM 0 HA ILE A 10 7.708 18.424 -6.577 1.00 15.10 H new ATOM 0 HB ILE A 10 8.542 16.348 -8.648 1.00 53.24 H new ATOM 0 HG12 ILE A 10 10.413 18.059 -7.021 1.00 64.31 H new ATOM 0 HG13 ILE A 10 9.745 16.600 -6.315 1.00 64.31 H new ATOM 0 HG21 ILE A 10 9.740 18.214 -9.721 1.00 4.45 H new ATOM 0 HG22 ILE A 10 7.984 18.498 -9.679 1.00 4.45 H new ATOM 0 HG23 ILE A 10 9.050 19.340 -8.528 1.00 4.45 H new ATOM 0 HD11 ILE A 10 11.933 16.165 -7.320 1.00 31.55 H new ATOM 0 HD12 ILE A 10 10.661 15.262 -8.178 1.00 31.55 H new ATOM 0 HD13 ILE A 10 11.340 16.743 -8.895 1.00 31.55 H new ATOM 129 N PHE A 11 5.834 16.648 -8.666 1.00 33.42 N ATOM 130 CA PHE A 11 4.648 16.702 -9.514 1.00 24.44 C ATOM 131 C PHE A 11 3.392 16.930 -8.678 1.00 61.30 C ATOM 132 O PHE A 11 2.416 17.512 -9.151 1.00 4.41 O ATOM 133 CB PHE A 11 4.511 15.407 -10.318 1.00 44.42 C ATOM 134 CG PHE A 11 3.699 14.352 -9.623 1.00 4.32 C ATOM 135 CD1 PHE A 11 4.184 13.722 -8.488 1.00 2.42 C ATOM 136 CD2 PHE A 11 2.451 13.991 -10.104 1.00 23.14 C ATOM 137 CE1 PHE A 11 3.439 12.751 -7.847 1.00 23.33 C ATOM 138 CE2 PHE A 11 1.702 13.020 -9.466 1.00 54.13 C ATOM 139 CZ PHE A 11 2.196 12.400 -8.336 1.00 0.03 C ATOM 0 H PHE A 11 6.283 15.733 -8.627 1.00 33.42 H new ATOM 0 HA PHE A 11 4.762 17.539 -10.203 1.00 24.44 H new ATOM 0 HB2 PHE A 11 4.051 15.633 -11.280 1.00 44.42 H new ATOM 0 HB3 PHE A 11 5.505 15.011 -10.525 1.00 44.42 H new ATOM 0 HD1 PHE A 11 5.155 13.993 -8.100 1.00 2.42 H new ATOM 0 HD2 PHE A 11 2.059 14.473 -10.987 1.00 23.14 H new ATOM 0 HE1 PHE A 11 3.829 12.267 -6.964 1.00 23.33 H new ATOM 0 HE2 PHE A 11 0.731 12.747 -9.851 1.00 54.13 H new ATOM 0 HZ PHE A 11 1.612 11.642 -7.835 1.00 0.03 H new ATOM 149 N SER A 12 3.424 16.465 -7.433 1.00 43.20 N ATOM 150 CA SER A 12 2.287 16.614 -6.532 1.00 44.00 C ATOM 151 C SER A 12 2.206 18.038 -5.990 1.00 43.04 C ATOM 152 O SER A 12 1.139 18.652 -5.982 1.00 1.11 O ATOM 153 CB SER A 12 2.395 15.621 -5.373 1.00 74.13 C ATOM 154 OG SER A 12 3.319 16.072 -4.399 1.00 0.24 O ATOM 0 H SER A 12 4.225 15.982 -7.025 1.00 43.20 H new ATOM 0 HA SER A 12 1.378 16.406 -7.096 1.00 44.00 H new ATOM 0 HB2 SER A 12 1.416 15.485 -4.914 1.00 74.13 H new ATOM 0 HB3 SER A 12 2.707 14.648 -5.752 1.00 74.13 H new ATOM 0 HG SER A 12 3.253 15.509 -3.600 1.00 0.24 H new ATOM 160 N LYS A 13 3.342 18.558 -5.538 1.00 64.14 N ATOM 161 CA LYS A 13 3.403 19.910 -4.995 1.00 61.25 C ATOM 162 C LYS A 13 3.014 20.939 -6.052 1.00 63.55 C ATOM 163 O LYS A 13 2.148 21.783 -5.822 1.00 64.25 O ATOM 164 CB LYS A 13 4.810 20.208 -4.471 1.00 55.21 C ATOM 165 CG LYS A 13 4.922 21.546 -3.760 1.00 65.50 C ATOM 166 CD LYS A 13 4.411 21.463 -2.332 1.00 33.43 C ATOM 167 CE LYS A 13 4.282 22.842 -1.705 1.00 11.42 C ATOM 168 NZ LYS A 13 3.452 22.815 -0.469 1.00 32.33 N ATOM 0 H LYS A 13 4.234 18.063 -5.537 1.00 64.14 H new ATOM 0 HA LYS A 13 2.693 19.976 -4.170 1.00 61.25 H new ATOM 0 HB2 LYS A 13 5.109 19.415 -3.785 1.00 55.21 H new ATOM 0 HB3 LYS A 13 5.511 20.189 -5.305 1.00 55.21 H new ATOM 0 HG2 LYS A 13 5.962 21.871 -3.757 1.00 65.50 H new ATOM 0 HG3 LYS A 13 4.354 22.299 -4.307 1.00 65.50 H new ATOM 0 HD2 LYS A 13 3.442 20.965 -2.320 1.00 33.43 H new ATOM 0 HD3 LYS A 13 5.090 20.853 -1.736 1.00 33.43 H new ATOM 0 HE2 LYS A 13 5.274 23.227 -1.468 1.00 11.42 H new ATOM 0 HE3 LYS A 13 3.838 23.528 -2.426 1.00 11.42 H new ATOM 0 HZ1 LYS A 13 3.389 23.774 -0.072 1.00 32.33 H new ATOM 0 HZ2 LYS A 13 2.498 22.472 -0.699 1.00 32.33 H new ATOM 0 HZ3 LYS A 13 3.889 22.180 0.229 1.00 32.33 H new ATOM 182 N VAL A 14 3.659 20.861 -7.212 1.00 40.34 N ATOM 183 CA VAL A 14 3.379 21.784 -8.306 1.00 14.12 C ATOM 184 C VAL A 14 1.933 21.660 -8.773 1.00 33.32 C ATOM 185 O VAL A 14 1.290 22.655 -9.109 1.00 24.23 O ATOM 186 CB VAL A 14 4.316 21.538 -9.503 1.00 22.53 C ATOM 187 CG1 VAL A 14 3.984 22.485 -10.645 1.00 42.13 C ATOM 188 CG2 VAL A 14 5.770 21.687 -9.080 1.00 52.41 C ATOM 0 H VAL A 14 4.379 20.168 -7.418 1.00 40.34 H new ATOM 0 HA VAL A 14 3.549 22.790 -7.922 1.00 14.12 H new ATOM 0 HB VAL A 14 4.167 20.517 -9.855 1.00 22.53 H new ATOM 0 HG11 VAL A 14 4.657 22.296 -11.482 1.00 42.13 H new ATOM 0 HG12 VAL A 14 2.954 22.324 -10.964 1.00 42.13 H new ATOM 0 HG13 VAL A 14 4.103 23.515 -10.310 1.00 42.13 H new ATOM 0 HG21 VAL A 14 6.419 21.510 -9.938 1.00 52.41 H new ATOM 0 HG22 VAL A 14 5.937 22.695 -8.701 1.00 52.41 H new ATOM 0 HG23 VAL A 14 5.997 20.963 -8.298 1.00 52.41 H new ATOM 198 N ARG A 15 1.426 20.431 -8.791 1.00 2.10 N ATOM 199 CA ARG A 15 0.056 20.176 -9.218 1.00 14.05 C ATOM 200 C ARG A 15 -0.941 20.753 -8.217 1.00 35.22 C ATOM 201 O ARG A 15 -2.028 21.194 -8.592 1.00 20.54 O ATOM 202 CB ARG A 15 -0.179 18.673 -9.379 1.00 54.14 C ATOM 203 CG ARG A 15 -1.649 18.284 -9.393 1.00 43.41 C ATOM 204 CD ARG A 15 -2.134 17.890 -8.007 1.00 4.12 C ATOM 205 NE ARG A 15 -1.337 16.807 -7.436 1.00 12.22 N ATOM 206 CZ ARG A 15 -1.645 16.188 -6.302 1.00 24.04 C ATOM 207 NH1 ARG A 15 -2.726 16.543 -5.621 1.00 23.52 N ATOM 208 NH2 ARG A 15 -0.870 15.211 -5.846 1.00 51.43 N ATOM 0 H ARG A 15 1.944 19.597 -8.515 1.00 2.10 H new ATOM 0 HA ARG A 15 -0.096 20.666 -10.180 1.00 14.05 H new ATOM 0 HB2 ARG A 15 0.285 18.339 -10.307 1.00 54.14 H new ATOM 0 HB3 ARG A 15 0.320 18.147 -8.565 1.00 54.14 H new ATOM 0 HG2 ARG A 15 -2.244 19.119 -9.764 1.00 43.41 H new ATOM 0 HG3 ARG A 15 -1.800 17.453 -10.082 1.00 43.41 H new ATOM 0 HD2 ARG A 15 -2.092 18.757 -7.348 1.00 4.12 H new ATOM 0 HD3 ARG A 15 -3.178 17.582 -8.062 1.00 4.12 H new ATOM 0 HE ARG A 15 -0.499 16.510 -7.935 1.00 12.22 H new ATOM 0 HH11 ARG A 15 -3.324 17.293 -5.968 1.00 23.52 H new ATOM 0 HH12 ARG A 15 -2.960 16.066 -4.750 1.00 23.52 H new ATOM 0 HH21 ARG A 15 -0.037 14.935 -6.367 1.00 51.43 H new ATOM 0 HH22 ARG A 15 -1.107 14.736 -4.975 1.00 51.43 H new ATOM 222 N SER A 16 -0.564 20.746 -6.942 1.00 72.43 N ATOM 223 CA SER A 16 -1.427 21.264 -5.887 1.00 23.12 C ATOM 224 C SER A 16 -1.678 22.757 -6.075 1.00 23.05 C ATOM 225 O SER A 16 -2.675 23.295 -5.592 1.00 43.22 O ATOM 226 CB SER A 16 -0.799 21.009 -4.515 1.00 50.11 C ATOM 227 OG SER A 16 -1.688 21.370 -3.472 1.00 74.34 O ATOM 0 H SER A 16 0.333 20.387 -6.615 1.00 72.43 H new ATOM 0 HA SER A 16 -2.383 20.743 -5.944 1.00 23.12 H new ATOM 0 HB2 SER A 16 -0.534 19.956 -4.423 1.00 50.11 H new ATOM 0 HB3 SER A 16 0.125 21.579 -4.423 1.00 50.11 H new ATOM 0 HG SER A 16 -1.264 21.196 -2.606 1.00 74.34 H new ATOM 233 N ILE A 17 -0.766 23.420 -6.778 1.00 72.34 N ATOM 234 CA ILE A 17 -0.889 24.850 -7.031 1.00 45.11 C ATOM 235 C ILE A 17 -1.977 25.135 -8.060 1.00 41.33 C ATOM 236 O ILE A 17 -2.892 25.920 -7.809 1.00 51.04 O ATOM 237 CB ILE A 17 0.441 25.450 -7.526 1.00 73.14 C ATOM 238 CG1 ILE A 17 1.570 25.119 -6.549 1.00 3.43 C ATOM 239 CG2 ILE A 17 0.309 26.955 -7.703 1.00 42.31 C ATOM 240 CD1 ILE A 17 2.927 25.606 -7.006 1.00 43.25 C ATOM 0 H ILE A 17 0.066 22.990 -7.182 1.00 72.34 H new ATOM 0 HA ILE A 17 -1.158 25.316 -6.083 1.00 45.11 H new ATOM 0 HB ILE A 17 0.684 25.010 -8.493 1.00 73.14 H new ATOM 0 HG12 ILE A 17 1.342 25.562 -5.579 1.00 3.43 H new ATOM 0 HG13 ILE A 17 1.610 24.039 -6.405 1.00 3.43 H new ATOM 0 HG21 ILE A 17 1.256 27.365 -8.053 1.00 42.31 H new ATOM 0 HG22 ILE A 17 -0.471 27.168 -8.434 1.00 42.31 H new ATOM 0 HG23 ILE A 17 0.047 27.412 -6.749 1.00 42.31 H new ATOM 0 HD11 ILE A 17 3.679 25.336 -6.264 1.00 43.25 H new ATOM 0 HD12 ILE A 17 3.177 25.144 -7.961 1.00 43.25 H new ATOM 0 HD13 ILE A 17 2.904 26.690 -7.122 1.00 43.25 H new ATOM 252 N ILE A 18 -1.872 24.492 -9.218 1.00 62.01 N ATOM 253 CA ILE A 18 -2.849 24.674 -10.284 1.00 41.42 C ATOM 254 C ILE A 18 -4.146 23.935 -9.974 1.00 22.31 C ATOM 255 O ILE A 18 -5.226 24.352 -10.392 1.00 2.02 O ATOM 256 CB ILE A 18 -2.303 24.184 -11.638 1.00 41.13 C ATOM 257 CG1 ILE A 18 -1.925 22.704 -11.555 1.00 31.23 C ATOM 258 CG2 ILE A 18 -1.103 25.020 -12.059 1.00 72.44 C ATOM 259 CD1 ILE A 18 -1.390 22.143 -12.853 1.00 63.53 C ATOM 0 H ILE A 18 -1.120 23.840 -9.442 1.00 62.01 H new ATOM 0 HA ILE A 18 -3.050 25.743 -10.348 1.00 41.42 H new ATOM 0 HB ILE A 18 -3.083 24.299 -12.391 1.00 41.13 H new ATOM 0 HG12 ILE A 18 -1.175 22.572 -10.775 1.00 31.23 H new ATOM 0 HG13 ILE A 18 -2.801 22.130 -11.254 1.00 31.23 H new ATOM 0 HG21 ILE A 18 -0.728 24.662 -13.018 1.00 72.44 H new ATOM 0 HG22 ILE A 18 -1.402 26.064 -12.154 1.00 72.44 H new ATOM 0 HG23 ILE A 18 -0.318 24.934 -11.308 1.00 72.44 H new ATOM 0 HD11 ILE A 18 -1.143 21.090 -12.720 1.00 63.53 H new ATOM 0 HD12 ILE A 18 -2.146 22.243 -13.632 1.00 63.53 H new ATOM 0 HD13 ILE A 18 -0.495 22.692 -13.145 1.00 63.53 H new ATOM 271 N SER A 19 -4.031 22.835 -9.236 1.00 73.24 N ATOM 272 CA SER A 19 -5.195 22.035 -8.871 1.00 4.11 C ATOM 273 C SER A 19 -6.302 22.916 -8.300 1.00 61.03 C ATOM 274 O SER A 19 -7.485 22.607 -8.434 1.00 15.20 O ATOM 275 CB SER A 19 -4.803 20.964 -7.851 1.00 74.43 C ATOM 276 OG SER A 19 -5.903 20.618 -7.028 1.00 34.53 O ATOM 0 H SER A 19 -3.145 22.478 -8.879 1.00 73.24 H new ATOM 0 HA SER A 19 -5.569 21.550 -9.772 1.00 4.11 H new ATOM 0 HB2 SER A 19 -4.441 20.077 -8.371 1.00 74.43 H new ATOM 0 HB3 SER A 19 -3.983 21.329 -7.233 1.00 74.43 H new ATOM 0 HG SER A 19 -5.628 19.931 -6.386 1.00 34.53 H new ATOM 282 N GLU A 20 -5.907 24.014 -7.664 1.00 11.31 N ATOM 283 CA GLU A 20 -6.866 24.940 -7.072 1.00 21.20 C ATOM 284 C GLU A 20 -7.726 25.595 -8.149 1.00 62.00 C ATOM 285 O GLU A 20 -8.941 25.719 -7.997 1.00 4.15 O ATOM 286 CB GLU A 20 -6.138 26.014 -6.262 1.00 2.34 C ATOM 287 CG GLU A 20 -6.992 26.636 -5.169 1.00 25.50 C ATOM 288 CD GLU A 20 -6.236 27.668 -4.355 1.00 33.13 C ATOM 289 OE1 GLU A 20 -5.880 28.723 -4.920 1.00 10.34 O ATOM 290 OE2 GLU A 20 -6.001 27.421 -3.153 1.00 74.15 O ATOM 0 H GLU A 20 -4.931 24.284 -7.545 1.00 11.31 H new ATOM 0 HA GLU A 20 -7.517 24.373 -6.407 1.00 21.20 H new ATOM 0 HB2 GLU A 20 -5.248 25.576 -5.811 1.00 2.34 H new ATOM 0 HB3 GLU A 20 -5.799 26.799 -6.938 1.00 2.34 H new ATOM 0 HG2 GLU A 20 -7.868 27.104 -5.619 1.00 25.50 H new ATOM 0 HG3 GLU A 20 -7.356 25.851 -4.506 1.00 25.50 H new ATOM 297 N GLN A 21 -7.086 26.012 -9.236 1.00 45.34 N ATOM 298 CA GLN A 21 -7.791 26.656 -10.338 1.00 73.11 C ATOM 299 C GLN A 21 -8.364 25.618 -11.298 1.00 44.21 C ATOM 300 O GLN A 21 -9.556 25.634 -11.607 1.00 61.23 O ATOM 301 CB GLN A 21 -6.853 27.601 -11.090 1.00 63.12 C ATOM 302 CG GLN A 21 -6.631 28.928 -10.383 1.00 4.01 C ATOM 303 CD GLN A 21 -7.780 29.896 -10.583 1.00 73.41 C ATOM 304 OE1 GLN A 21 -7.846 30.600 -11.591 1.00 62.11 O ATOM 305 NE2 GLN A 21 -8.695 29.935 -9.622 1.00 13.34 N ATOM 0 H GLN A 21 -6.080 25.916 -9.377 1.00 45.34 H new ATOM 0 HA GLN A 21 -8.616 27.233 -9.920 1.00 73.11 H new ATOM 0 HB2 GLN A 21 -5.891 27.108 -11.231 1.00 63.12 H new ATOM 0 HB3 GLN A 21 -7.262 27.791 -12.082 1.00 63.12 H new ATOM 0 HG2 GLN A 21 -6.494 28.749 -9.317 1.00 4.01 H new ATOM 0 HG3 GLN A 21 -5.711 29.382 -10.751 1.00 4.01 H new ATOM 0 HE21 GLN A 21 -8.601 29.334 -8.803 1.00 13.34 H new ATOM 0 HE22 GLN A 21 -9.492 30.566 -9.702 1.00 13.34 H new ATOM 314 N LEU A 22 -7.507 24.718 -11.767 1.00 31.50 N ATOM 315 CA LEU A 22 -7.927 23.671 -12.693 1.00 13.51 C ATOM 316 C LEU A 22 -8.967 22.760 -12.049 1.00 53.12 C ATOM 317 O LEU A 22 -9.846 22.228 -12.728 1.00 14.53 O ATOM 318 CB LEU A 22 -6.720 22.848 -13.144 1.00 71.53 C ATOM 319 CG LEU A 22 -5.956 23.384 -14.355 1.00 40.41 C ATOM 320 CD1 LEU A 22 -5.608 24.852 -14.159 1.00 23.33 C ATOM 321 CD2 LEU A 22 -4.698 22.564 -14.599 1.00 21.35 C ATOM 0 H LEU A 22 -6.517 24.692 -11.522 1.00 31.50 H new ATOM 0 HA LEU A 22 -8.378 24.148 -13.563 1.00 13.51 H new ATOM 0 HB2 LEU A 22 -6.026 22.770 -12.307 1.00 71.53 H new ATOM 0 HB3 LEU A 22 -7.059 21.838 -13.372 1.00 71.53 H new ATOM 0 HG LEU A 22 -6.597 23.297 -15.232 1.00 40.41 H new ATOM 0 HD11 LEU A 22 -5.064 25.217 -15.031 1.00 23.33 H new ATOM 0 HD12 LEU A 22 -6.524 25.430 -14.035 1.00 23.33 H new ATOM 0 HD13 LEU A 22 -4.986 24.963 -13.271 1.00 23.33 H new ATOM 0 HD21 LEU A 22 -4.168 22.960 -15.465 1.00 21.35 H new ATOM 0 HD22 LEU A 22 -4.053 22.618 -13.722 1.00 21.35 H new ATOM 0 HD23 LEU A 22 -4.971 21.525 -14.785 1.00 21.35 H new ATOM 333 N ASP A 23 -8.862 22.586 -10.736 1.00 72.05 N ATOM 334 CA ASP A 23 -9.796 21.742 -10.000 1.00 24.40 C ATOM 335 C ASP A 23 -9.783 20.316 -10.543 1.00 15.11 C ATOM 336 O ASP A 23 -10.752 19.572 -10.386 1.00 42.02 O ATOM 337 CB ASP A 23 -11.210 22.319 -10.079 1.00 21.40 C ATOM 338 CG ASP A 23 -11.464 23.376 -9.023 1.00 4.14 C ATOM 339 OD1 ASP A 23 -11.479 23.025 -7.824 1.00 43.44 O ATOM 340 OD2 ASP A 23 -11.648 24.554 -9.394 1.00 41.32 O ATOM 0 H ASP A 23 -8.140 23.018 -10.160 1.00 72.05 H new ATOM 0 HA ASP A 23 -9.481 21.717 -8.957 1.00 24.40 H new ATOM 0 HB2 ASP A 23 -11.368 22.751 -11.067 1.00 21.40 H new ATOM 0 HB3 ASP A 23 -11.935 21.513 -9.964 1.00 21.40 H new ATOM 345 N LYS A 24 -8.681 19.942 -11.183 1.00 60.40 N ATOM 346 CA LYS A 24 -8.541 18.606 -11.750 1.00 32.52 C ATOM 347 C LYS A 24 -7.757 17.695 -10.810 1.00 41.21 C ATOM 348 O LYS A 24 -7.358 18.106 -9.720 1.00 52.11 O ATOM 349 CB LYS A 24 -7.842 18.676 -13.109 1.00 52.54 C ATOM 350 CG LYS A 24 -8.595 19.502 -14.138 1.00 74.11 C ATOM 351 CD LYS A 24 -8.063 19.265 -15.541 1.00 41.04 C ATOM 352 CE LYS A 24 -9.159 19.411 -16.586 1.00 33.45 C ATOM 353 NZ LYS A 24 -10.180 18.332 -16.472 1.00 40.21 N ATOM 0 H LYS A 24 -7.871 20.546 -11.322 1.00 60.40 H new ATOM 0 HA LYS A 24 -9.539 18.189 -11.883 1.00 32.52 H new ATOM 0 HB2 LYS A 24 -6.846 19.098 -12.975 1.00 52.54 H new ATOM 0 HB3 LYS A 24 -7.710 17.664 -13.493 1.00 52.54 H new ATOM 0 HG2 LYS A 24 -9.655 19.251 -14.103 1.00 74.11 H new ATOM 0 HG3 LYS A 24 -8.510 20.560 -13.890 1.00 74.11 H new ATOM 0 HD2 LYS A 24 -7.262 19.973 -15.752 1.00 41.04 H new ATOM 0 HD3 LYS A 24 -7.630 18.266 -15.603 1.00 41.04 H new ATOM 0 HE2 LYS A 24 -9.642 20.382 -16.473 1.00 33.45 H new ATOM 0 HE3 LYS A 24 -8.717 19.389 -17.582 1.00 33.45 H new ATOM 0 HZ1 LYS A 24 -10.657 18.207 -17.388 1.00 40.21 H new ATOM 0 HZ2 LYS A 24 -9.716 17.442 -16.199 1.00 40.21 H new ATOM 0 HZ3 LYS A 24 -10.881 18.593 -15.750 1.00 40.21 H new ATOM 367 N LYS A 25 -7.537 16.457 -11.240 1.00 14.24 N ATOM 368 CA LYS A 25 -6.798 15.489 -10.439 1.00 32.34 C ATOM 369 C LYS A 25 -5.374 15.326 -10.960 1.00 21.25 C ATOM 370 O LYS A 25 -5.093 15.612 -12.123 1.00 2.23 O ATOM 371 CB LYS A 25 -7.514 14.136 -10.448 1.00 61.01 C ATOM 372 CG LYS A 25 -8.936 14.197 -9.919 1.00 75.23 C ATOM 373 CD LYS A 25 -9.937 14.438 -11.037 1.00 40.41 C ATOM 374 CE LYS A 25 -11.167 15.178 -10.534 1.00 31.01 C ATOM 375 NZ LYS A 25 -10.824 16.525 -9.999 1.00 33.21 N ATOM 0 H LYS A 25 -7.860 16.101 -12.139 1.00 14.24 H new ATOM 0 HA LYS A 25 -6.751 15.862 -9.416 1.00 32.34 H new ATOM 0 HB2 LYS A 25 -7.531 13.750 -11.467 1.00 61.01 H new ATOM 0 HB3 LYS A 25 -6.942 13.428 -9.848 1.00 61.01 H new ATOM 0 HG2 LYS A 25 -9.176 13.264 -9.409 1.00 75.23 H new ATOM 0 HG3 LYS A 25 -9.016 14.994 -9.180 1.00 75.23 H new ATOM 0 HD2 LYS A 25 -9.464 15.014 -11.832 1.00 40.41 H new ATOM 0 HD3 LYS A 25 -10.237 13.484 -11.470 1.00 40.41 H new ATOM 0 HE2 LYS A 25 -11.886 15.282 -11.347 1.00 31.01 H new ATOM 0 HE3 LYS A 25 -11.651 14.590 -9.754 1.00 31.01 H new ATOM 0 HZ1 LYS A 25 -11.332 16.684 -9.106 1.00 33.21 H new ATOM 0 HZ2 LYS A 25 -9.800 16.580 -9.829 1.00 33.21 H new ATOM 0 HZ3 LYS A 25 -11.100 17.253 -10.688 1.00 33.21 H new ATOM 389 N GLU A 26 -4.480 14.863 -10.091 1.00 11.00 N ATOM 390 CA GLU A 26 -3.085 14.662 -10.465 1.00 73.24 C ATOM 391 C GLU A 26 -2.957 13.559 -11.512 1.00 45.03 C ATOM 392 O GLU A 26 -1.923 13.429 -12.168 1.00 61.32 O ATOM 393 CB GLU A 26 -2.249 14.311 -9.233 1.00 61.52 C ATOM 394 CG GLU A 26 -2.417 12.872 -8.773 1.00 41.14 C ATOM 395 CD GLU A 26 -3.834 12.562 -8.333 1.00 13.35 C ATOM 396 OE1 GLU A 26 -4.230 13.023 -7.241 1.00 44.52 O ATOM 397 OE2 GLU A 26 -4.548 11.859 -9.078 1.00 23.02 O ATOM 0 H GLU A 26 -4.697 14.620 -9.124 1.00 11.00 H new ATOM 0 HA GLU A 26 -2.712 15.592 -10.894 1.00 73.24 H new ATOM 0 HB2 GLU A 26 -1.197 14.492 -9.454 1.00 61.52 H new ATOM 0 HB3 GLU A 26 -2.523 14.979 -8.416 1.00 61.52 H new ATOM 0 HG2 GLU A 26 -2.137 12.200 -9.584 1.00 41.14 H new ATOM 0 HG3 GLU A 26 -1.733 12.676 -7.947 1.00 41.14 H new ATOM 404 N ASP A 27 -4.013 12.768 -11.662 1.00 60.31 N ATOM 405 CA ASP A 27 -4.020 11.676 -12.629 1.00 5.00 C ATOM 406 C ASP A 27 -4.348 12.190 -14.027 1.00 53.30 C ATOM 407 O ASP A 27 -4.603 11.408 -14.942 1.00 64.01 O ATOM 408 CB ASP A 27 -5.031 10.606 -12.215 1.00 24.31 C ATOM 409 CG ASP A 27 -4.864 9.318 -12.997 1.00 63.04 C ATOM 410 OD1 ASP A 27 -3.714 8.848 -13.129 1.00 21.02 O ATOM 411 OD2 ASP A 27 -5.883 8.780 -13.478 1.00 22.45 O ATOM 0 H ASP A 27 -4.876 12.862 -11.126 1.00 60.31 H new ATOM 0 HA ASP A 27 -3.024 11.235 -12.649 1.00 5.00 H new ATOM 0 HB2 ASP A 27 -4.920 10.398 -11.151 1.00 24.31 H new ATOM 0 HB3 ASP A 27 -6.041 10.988 -12.362 1.00 24.31 H new ATOM 416 N GLU A 28 -4.342 13.511 -14.183 1.00 71.52 N ATOM 417 CA GLU A 28 -4.642 14.128 -15.470 1.00 2.35 C ATOM 418 C GLU A 28 -3.466 13.980 -16.431 1.00 54.03 C ATOM 419 O GLU A 28 -3.624 14.113 -17.645 1.00 43.23 O ATOM 420 CB GLU A 28 -4.979 15.609 -15.283 1.00 44.20 C ATOM 421 CG GLU A 28 -4.451 16.498 -16.396 1.00 45.42 C ATOM 422 CD GLU A 28 -4.964 17.922 -16.299 1.00 23.02 C ATOM 423 OE1 GLU A 28 -4.802 18.539 -15.226 1.00 15.34 O ATOM 424 OE2 GLU A 28 -5.527 18.419 -17.297 1.00 63.51 O ATOM 0 H GLU A 28 -4.133 14.173 -13.436 1.00 71.52 H new ATOM 0 HA GLU A 28 -5.505 13.617 -15.898 1.00 2.35 H new ATOM 0 HB2 GLU A 28 -6.061 15.722 -15.222 1.00 44.20 H new ATOM 0 HB3 GLU A 28 -4.569 15.949 -14.332 1.00 44.20 H new ATOM 0 HG2 GLU A 28 -3.361 16.505 -16.364 1.00 45.42 H new ATOM 0 HG3 GLU A 28 -4.739 16.077 -17.359 1.00 45.42 H new ATOM 431 N ILE A 29 -2.289 13.704 -15.880 1.00 14.33 N ATOM 432 CA ILE A 29 -1.088 13.538 -16.688 1.00 21.52 C ATOM 433 C ILE A 29 -1.356 12.643 -17.893 1.00 61.32 C ATOM 434 O ILE A 29 -1.519 11.430 -17.757 1.00 24.43 O ATOM 435 CB ILE A 29 0.066 12.937 -15.863 1.00 41.05 C ATOM 436 CG1 ILE A 29 0.400 13.844 -14.677 1.00 32.41 C ATOM 437 CG2 ILE A 29 1.292 12.731 -16.740 1.00 60.45 C ATOM 438 CD1 ILE A 29 0.915 15.206 -15.084 1.00 13.52 C ATOM 0 H ILE A 29 -2.142 13.591 -14.877 1.00 14.33 H new ATOM 0 HA ILE A 29 -0.799 14.531 -17.033 1.00 21.52 H new ATOM 0 HB ILE A 29 -0.249 11.967 -15.478 1.00 41.05 H new ATOM 0 HG12 ILE A 29 -0.492 13.970 -14.064 1.00 32.41 H new ATOM 0 HG13 ILE A 29 1.148 13.353 -14.054 1.00 32.41 H new ATOM 0 HG21 ILE A 29 2.099 12.306 -16.143 1.00 60.45 H new ATOM 0 HG22 ILE A 29 1.046 12.050 -17.555 1.00 60.45 H new ATOM 0 HG23 ILE A 29 1.611 13.689 -17.151 1.00 60.45 H new ATOM 0 HD11 ILE A 29 1.131 15.795 -14.192 1.00 13.52 H new ATOM 0 HD12 ILE A 29 1.826 15.090 -15.672 1.00 13.52 H new ATOM 0 HD13 ILE A 29 0.160 15.717 -15.682 1.00 13.52 H new ATOM 450 N THR A 30 -1.399 13.249 -19.076 1.00 12.14 N ATOM 451 CA THR A 30 -1.647 12.508 -20.306 1.00 5.01 C ATOM 452 C THR A 30 -1.347 13.363 -21.532 1.00 61.42 C ATOM 453 O THR A 30 -1.165 14.576 -21.427 1.00 43.14 O ATOM 454 CB THR A 30 -3.104 12.015 -20.381 1.00 41.15 C ATOM 455 OG1 THR A 30 -3.286 11.200 -21.545 1.00 1.50 O ATOM 456 CG2 THR A 30 -4.071 13.189 -20.422 1.00 22.12 C ATOM 0 H THR A 30 -1.265 14.252 -19.208 1.00 12.14 H new ATOM 0 HA THR A 30 -0.980 11.646 -20.296 1.00 5.01 H new ATOM 0 HB THR A 30 -3.311 11.425 -19.488 1.00 41.15 H new ATOM 0 HG1 THR A 30 -4.214 10.889 -21.585 1.00 1.50 H new ATOM 0 HG21 THR A 30 -5.094 12.816 -20.475 1.00 22.12 H new ATOM 0 HG22 THR A 30 -3.950 13.791 -19.522 1.00 22.12 H new ATOM 0 HG23 THR A 30 -3.862 13.802 -21.299 1.00 22.12 H new ATOM 464 N THR A 31 -1.298 12.722 -22.696 1.00 45.43 N ATOM 465 CA THR A 31 -1.019 13.424 -23.943 1.00 75.02 C ATOM 466 C THR A 31 -2.268 14.120 -24.473 1.00 32.41 C ATOM 467 O THR A 31 -2.201 14.892 -25.429 1.00 14.41 O ATOM 468 CB THR A 31 -0.485 12.463 -25.021 1.00 64.34 C ATOM 469 OG1 THR A 31 -1.444 11.432 -25.278 1.00 75.42 O ATOM 470 CG2 THR A 31 0.833 11.839 -24.585 1.00 54.11 C ATOM 0 H THR A 31 -1.448 11.719 -22.801 1.00 45.43 H new ATOM 0 HA THR A 31 -0.256 14.170 -23.722 1.00 75.02 H new ATOM 0 HB THR A 31 -0.314 13.035 -25.933 1.00 64.34 H new ATOM 0 HG1 THR A 31 -1.097 10.826 -25.966 1.00 75.42 H new ATOM 0 HG21 THR A 31 1.191 11.164 -25.362 1.00 54.11 H new ATOM 0 HG22 THR A 31 1.570 12.625 -24.419 1.00 54.11 H new ATOM 0 HG23 THR A 31 0.683 11.281 -23.661 1.00 54.11 H new ATOM 478 N ASP A 32 -3.406 13.841 -23.846 1.00 23.00 N ATOM 479 CA ASP A 32 -4.670 14.442 -24.254 1.00 34.14 C ATOM 480 C ASP A 32 -5.046 15.597 -23.330 1.00 61.42 C ATOM 481 O ASP A 32 -6.223 15.921 -23.173 1.00 1.13 O ATOM 482 CB ASP A 32 -5.782 13.391 -24.255 1.00 1.23 C ATOM 483 CG ASP A 32 -7.017 13.856 -25.001 1.00 61.33 C ATOM 484 OD1 ASP A 32 -6.864 14.459 -26.084 1.00 71.24 O ATOM 485 OD2 ASP A 32 -8.136 13.615 -24.503 1.00 52.41 O ATOM 0 H ASP A 32 -3.479 13.203 -23.054 1.00 23.00 H new ATOM 0 HA ASP A 32 -4.549 14.833 -25.264 1.00 34.14 H new ATOM 0 HB2 ASP A 32 -5.410 12.473 -24.710 1.00 1.23 H new ATOM 0 HB3 ASP A 32 -6.051 13.150 -23.227 1.00 1.23 H new ATOM 490 N SER A 33 -4.038 16.213 -22.721 1.00 62.41 N ATOM 491 CA SER A 33 -4.262 17.328 -21.809 1.00 54.13 C ATOM 492 C SER A 33 -3.462 18.553 -22.242 1.00 22.25 C ATOM 493 O SER A 33 -4.001 19.655 -22.347 1.00 63.31 O ATOM 494 CB SER A 33 -3.880 16.932 -20.382 1.00 2.52 C ATOM 495 OG SER A 33 -2.520 16.542 -20.308 1.00 63.31 O ATOM 0 H SER A 33 -3.058 15.958 -22.843 1.00 62.41 H new ATOM 0 HA SER A 33 -5.322 17.580 -21.836 1.00 54.13 H new ATOM 0 HB2 SER A 33 -4.058 17.770 -19.709 1.00 2.52 H new ATOM 0 HB3 SER A 33 -4.515 16.113 -20.046 1.00 2.52 H new ATOM 0 HG SER A 33 -2.404 15.673 -20.747 1.00 63.31 H new ATOM 501 N ARG A 34 -2.172 18.351 -22.490 1.00 41.11 N ATOM 502 CA ARG A 34 -1.296 19.438 -22.910 1.00 3.23 C ATOM 503 C ARG A 34 -1.211 20.515 -21.832 1.00 52.21 C ATOM 504 O ARG A 34 -1.780 20.371 -20.750 1.00 12.32 O ATOM 505 CB ARG A 34 -1.798 20.050 -24.219 1.00 24.20 C ATOM 506 CG ARG A 34 -1.961 19.037 -25.341 1.00 13.52 C ATOM 507 CD ARG A 34 -2.192 19.722 -26.679 1.00 70.52 C ATOM 508 NE ARG A 34 -0.942 20.170 -27.288 1.00 32.35 N ATOM 509 CZ ARG A 34 -0.868 20.720 -28.494 1.00 71.34 C ATOM 510 NH1 ARG A 34 -1.966 20.889 -29.218 1.00 71.10 N ATOM 511 NH2 ARG A 34 0.306 21.102 -28.979 1.00 43.25 N ATOM 0 H ARG A 34 -1.711 17.445 -22.407 1.00 41.11 H new ATOM 0 HA ARG A 34 -0.299 19.027 -23.068 1.00 3.23 H new ATOM 0 HB2 ARG A 34 -2.756 20.537 -24.039 1.00 24.20 H new ATOM 0 HB3 ARG A 34 -1.101 20.825 -24.539 1.00 24.20 H new ATOM 0 HG2 ARG A 34 -1.071 18.411 -25.400 1.00 13.52 H new ATOM 0 HG3 ARG A 34 -2.800 18.378 -25.119 1.00 13.52 H new ATOM 0 HD2 ARG A 34 -2.699 19.034 -27.356 1.00 70.52 H new ATOM 0 HD3 ARG A 34 -2.854 20.577 -26.539 1.00 70.52 H new ATOM 0 HE ARG A 34 -0.079 20.054 -26.757 1.00 32.35 H new ATOM 0 HH11 ARG A 34 -2.871 20.596 -28.849 1.00 71.10 H new ATOM 0 HH12 ARG A 34 -1.906 21.312 -30.144 1.00 71.10 H new ATOM 0 HH21 ARG A 34 1.153 20.973 -28.425 1.00 43.25 H new ATOM 0 HH22 ARG A 34 0.362 21.524 -29.906 1.00 43.25 H new ATOM 525 N PHE A 35 -0.497 21.594 -22.136 1.00 20.13 N ATOM 526 CA PHE A 35 -0.337 22.695 -21.193 1.00 25.20 C ATOM 527 C PHE A 35 -1.669 23.395 -20.943 1.00 1.14 C ATOM 528 O PHE A 35 -1.896 23.958 -19.871 1.00 60.53 O ATOM 529 CB PHE A 35 0.690 23.700 -21.720 1.00 13.11 C ATOM 530 CG PHE A 35 2.080 23.140 -21.822 1.00 75.13 C ATOM 531 CD1 PHE A 35 2.686 22.552 -20.724 1.00 45.31 C ATOM 532 CD2 PHE A 35 2.779 23.201 -23.017 1.00 31.41 C ATOM 533 CE1 PHE A 35 3.966 22.037 -20.816 1.00 34.15 C ATOM 534 CE2 PHE A 35 4.058 22.686 -23.114 1.00 42.45 C ATOM 535 CZ PHE A 35 4.652 22.103 -22.012 1.00 72.14 C ATOM 0 H PHE A 35 -0.020 21.729 -23.027 1.00 20.13 H new ATOM 0 HA PHE A 35 0.019 22.283 -20.249 1.00 25.20 H new ATOM 0 HB2 PHE A 35 0.374 24.048 -22.703 1.00 13.11 H new ATOM 0 HB3 PHE A 35 0.705 24.570 -21.064 1.00 13.11 H new ATOM 0 HD1 PHE A 35 2.153 22.495 -19.786 1.00 45.31 H new ATOM 0 HD2 PHE A 35 2.319 23.656 -23.882 1.00 31.41 H new ATOM 0 HE1 PHE A 35 4.429 21.583 -19.952 1.00 34.15 H new ATOM 0 HE2 PHE A 35 4.592 22.739 -24.051 1.00 42.45 H new ATOM 0 HZ PHE A 35 5.651 21.700 -22.086 1.00 72.14 H new ATOM 545 N VAL A 36 -2.547 23.357 -21.940 1.00 33.24 N ATOM 546 CA VAL A 36 -3.858 23.987 -21.829 1.00 24.43 C ATOM 547 C VAL A 36 -4.675 23.360 -20.705 1.00 73.20 C ATOM 548 O VAL A 36 -5.232 24.063 -19.863 1.00 3.43 O ATOM 549 CB VAL A 36 -4.647 23.876 -23.147 1.00 20.33 C ATOM 550 CG1 VAL A 36 -4.093 24.841 -24.184 1.00 15.13 C ATOM 551 CG2 VAL A 36 -4.616 22.446 -23.667 1.00 15.52 C ATOM 0 H VAL A 36 -2.375 22.897 -22.834 1.00 33.24 H new ATOM 0 HA VAL A 36 -3.686 25.040 -21.605 1.00 24.43 H new ATOM 0 HB VAL A 36 -5.685 24.146 -22.953 1.00 20.33 H new ATOM 0 HG11 VAL A 36 -4.663 24.748 -25.108 1.00 15.13 H new ATOM 0 HG12 VAL A 36 -4.172 25.862 -23.810 1.00 15.13 H new ATOM 0 HG13 VAL A 36 -3.047 24.605 -24.378 1.00 15.13 H new ATOM 0 HG21 VAL A 36 -5.178 22.385 -24.599 1.00 15.52 H new ATOM 0 HG22 VAL A 36 -3.583 22.146 -23.846 1.00 15.52 H new ATOM 0 HG23 VAL A 36 -5.064 21.781 -22.929 1.00 15.52 H new ATOM 561 N GLU A 37 -4.743 22.032 -20.699 1.00 42.12 N ATOM 562 CA GLU A 37 -5.493 21.311 -19.678 1.00 73.42 C ATOM 563 C GLU A 37 -4.640 21.086 -18.433 1.00 34.20 C ATOM 564 O GLU A 37 -5.008 21.499 -17.333 1.00 44.30 O ATOM 565 CB GLU A 37 -5.980 19.967 -20.226 1.00 13.25 C ATOM 566 CG GLU A 37 -6.760 20.086 -21.524 1.00 74.20 C ATOM 567 CD GLU A 37 -8.008 20.935 -21.380 1.00 10.55 C ATOM 568 OE1 GLU A 37 -8.832 20.635 -20.490 1.00 65.14 O ATOM 569 OE2 GLU A 37 -8.160 21.902 -22.156 1.00 72.42 O ATOM 0 H GLU A 37 -4.288 21.435 -21.389 1.00 42.12 H new ATOM 0 HA GLU A 37 -6.356 21.917 -19.401 1.00 73.42 H new ATOM 0 HB2 GLU A 37 -5.120 19.317 -20.387 1.00 13.25 H new ATOM 0 HB3 GLU A 37 -6.608 19.485 -19.477 1.00 13.25 H new ATOM 0 HG2 GLU A 37 -6.118 20.519 -22.291 1.00 74.20 H new ATOM 0 HG3 GLU A 37 -7.040 19.090 -21.867 1.00 74.20 H new ATOM 576 N ASP A 38 -3.501 20.428 -18.615 1.00 21.43 N ATOM 577 CA ASP A 38 -2.595 20.148 -17.507 1.00 63.50 C ATOM 578 C ASP A 38 -2.185 21.436 -16.801 1.00 13.23 C ATOM 579 O ASP A 38 -2.194 21.513 -15.571 1.00 61.43 O ATOM 580 CB ASP A 38 -1.353 19.410 -18.010 1.00 44.42 C ATOM 581 CG ASP A 38 -0.576 18.751 -16.887 1.00 73.24 C ATOM 582 OD1 ASP A 38 -0.212 19.456 -15.923 1.00 53.20 O ATOM 583 OD2 ASP A 38 -0.333 17.529 -16.973 1.00 35.04 O ATOM 0 H ASP A 38 -3.183 20.078 -19.519 1.00 21.43 H new ATOM 0 HA ASP A 38 -3.120 19.515 -16.792 1.00 63.50 H new ATOM 0 HB2 ASP A 38 -1.653 18.652 -18.734 1.00 44.42 H new ATOM 0 HB3 ASP A 38 -0.704 20.112 -18.534 1.00 44.42 H new ATOM 588 N LEU A 39 -1.826 22.446 -17.585 1.00 53.32 N ATOM 589 CA LEU A 39 -1.412 23.732 -17.035 1.00 52.52 C ATOM 590 C LEU A 39 -2.474 24.799 -17.286 1.00 23.14 C ATOM 591 O LEU A 39 -3.505 24.530 -17.900 1.00 62.21 O ATOM 592 CB LEU A 39 -0.081 24.168 -17.650 1.00 62.50 C ATOM 593 CG LEU A 39 1.173 23.829 -16.844 1.00 24.34 C ATOM 594 CD1 LEU A 39 2.426 24.179 -17.632 1.00 53.31 C ATOM 595 CD2 LEU A 39 1.161 24.557 -15.507 1.00 61.43 C ATOM 0 H LEU A 39 -1.813 22.400 -18.604 1.00 53.32 H new ATOM 0 HA LEU A 39 -1.287 23.615 -15.959 1.00 52.52 H new ATOM 0 HB2 LEU A 39 0.009 23.709 -18.635 1.00 62.50 H new ATOM 0 HB3 LEU A 39 -0.110 25.247 -17.803 1.00 62.50 H new ATOM 0 HG LEU A 39 1.178 22.756 -16.651 1.00 24.34 H new ATOM 0 HD11 LEU A 39 3.308 23.931 -17.042 1.00 53.31 H new ATOM 0 HD12 LEU A 39 2.441 23.612 -18.563 1.00 53.31 H new ATOM 0 HD13 LEU A 39 2.428 25.246 -17.857 1.00 53.31 H new ATOM 0 HD21 LEU A 39 2.061 24.304 -14.947 1.00 61.43 H new ATOM 0 HD22 LEU A 39 1.131 25.633 -15.679 1.00 61.43 H new ATOM 0 HD23 LEU A 39 0.282 24.256 -14.937 1.00 61.43 H new ATOM 607 N ASN A 40 -2.212 26.011 -16.807 1.00 20.21 N ATOM 608 CA ASN A 40 -3.144 27.119 -16.980 1.00 73.24 C ATOM 609 C ASN A 40 -2.556 28.186 -17.898 1.00 71.04 C ATOM 610 O ASN A 40 -2.701 29.382 -17.649 1.00 54.32 O ATOM 611 CB ASN A 40 -3.496 27.734 -15.624 1.00 43.13 C ATOM 612 CG ASN A 40 -4.689 28.666 -15.704 1.00 52.21 C ATOM 613 OD1 ASN A 40 -5.631 28.423 -16.459 1.00 11.42 O ATOM 614 ND2 ASN A 40 -4.654 29.740 -14.924 1.00 13.12 N ATOM 0 H ASN A 40 -1.362 26.250 -16.296 1.00 20.21 H new ATOM 0 HA ASN A 40 -4.052 26.729 -17.440 1.00 73.24 H new ATOM 0 HB2 ASN A 40 -3.708 26.937 -14.911 1.00 43.13 H new ATOM 0 HB3 ASN A 40 -2.635 28.283 -15.242 1.00 43.13 H new ATOM 0 HD21 ASN A 40 -5.428 30.404 -14.935 1.00 13.12 H new ATOM 0 HD22 ASN A 40 -3.853 29.901 -14.314 1.00 13.12 H new ATOM 621 N ALA A 41 -1.892 27.744 -18.961 1.00 70.33 N ATOM 622 CA ALA A 41 -1.284 28.660 -19.918 1.00 53.11 C ATOM 623 C ALA A 41 -1.096 27.991 -21.275 1.00 42.24 C ATOM 624 O ALA A 41 -1.126 26.765 -21.383 1.00 51.25 O ATOM 625 CB ALA A 41 0.048 29.169 -19.389 1.00 24.45 C ATOM 0 H ALA A 41 -1.761 26.757 -19.181 1.00 70.33 H new ATOM 0 HA ALA A 41 -1.957 29.507 -20.050 1.00 53.11 H new ATOM 0 HB1 ALA A 41 0.490 29.852 -20.114 1.00 24.45 H new ATOM 0 HB2 ALA A 41 -0.111 29.693 -18.447 1.00 24.45 H new ATOM 0 HB3 ALA A 41 0.721 28.327 -19.226 1.00 24.45 H new ATOM 631 N ASP A 42 -0.902 28.804 -22.308 1.00 71.23 N ATOM 632 CA ASP A 42 -0.708 28.290 -23.659 1.00 53.34 C ATOM 633 C ASP A 42 0.772 28.061 -23.946 1.00 43.25 C ATOM 634 O ASP A 42 1.638 28.656 -23.305 1.00 24.41 O ATOM 635 CB ASP A 42 -1.295 29.260 -24.686 1.00 15.43 C ATOM 636 CG ASP A 42 -2.786 29.065 -24.880 1.00 13.41 C ATOM 637 OD1 ASP A 42 -3.185 27.991 -25.377 1.00 42.12 O ATOM 638 OD2 ASP A 42 -3.555 29.987 -24.534 1.00 22.42 O ATOM 0 H ASP A 42 -0.875 29.821 -22.236 1.00 71.23 H new ATOM 0 HA ASP A 42 -1.227 27.334 -23.735 1.00 53.34 H new ATOM 0 HB2 ASP A 42 -1.104 30.284 -24.365 1.00 15.43 H new ATOM 0 HB3 ASP A 42 -0.787 29.125 -25.641 1.00 15.43 H new ATOM 643 N SER A 43 1.055 27.195 -24.914 1.00 62.20 N ATOM 644 CA SER A 43 2.431 26.883 -25.283 1.00 1.21 C ATOM 645 C SER A 43 3.234 28.160 -25.512 1.00 64.25 C ATOM 646 O SER A 43 4.451 28.184 -25.324 1.00 24.10 O ATOM 647 CB SER A 43 2.460 26.016 -26.543 1.00 33.43 C ATOM 648 OG SER A 43 3.788 25.666 -26.891 1.00 60.10 O ATOM 0 H SER A 43 0.350 26.697 -25.457 1.00 62.20 H new ATOM 0 HA SER A 43 2.885 26.331 -24.461 1.00 1.21 H new ATOM 0 HB2 SER A 43 1.873 25.112 -26.380 1.00 33.43 H new ATOM 0 HB3 SER A 43 1.994 26.554 -27.369 1.00 33.43 H new ATOM 0 HG SER A 43 3.779 25.111 -27.698 1.00 60.10 H new ATOM 654 N LEU A 44 2.545 29.219 -25.921 1.00 0.43 N ATOM 655 CA LEU A 44 3.193 30.501 -26.177 1.00 14.33 C ATOM 656 C LEU A 44 4.047 30.927 -24.987 1.00 31.00 C ATOM 657 O LEU A 44 5.208 31.304 -25.147 1.00 12.30 O ATOM 658 CB LEU A 44 2.144 31.574 -26.476 1.00 60.01 C ATOM 659 CG LEU A 44 0.982 31.672 -25.487 1.00 24.44 C ATOM 660 CD1 LEU A 44 1.224 32.794 -24.489 1.00 31.42 C ATOM 661 CD2 LEU A 44 -0.331 31.886 -26.225 1.00 62.22 C ATOM 0 H LEU A 44 1.538 29.216 -26.083 1.00 0.43 H new ATOM 0 HA LEU A 44 3.843 30.385 -27.044 1.00 14.33 H new ATOM 0 HB2 LEU A 44 2.644 32.542 -26.515 1.00 60.01 H new ATOM 0 HB3 LEU A 44 1.735 31.387 -27.469 1.00 60.01 H new ATOM 0 HG LEU A 44 0.917 30.733 -24.938 1.00 24.44 H new ATOM 0 HD11 LEU A 44 0.387 32.849 -23.793 1.00 31.42 H new ATOM 0 HD12 LEU A 44 2.143 32.598 -23.937 1.00 31.42 H new ATOM 0 HD13 LEU A 44 1.316 33.741 -25.021 1.00 31.42 H new ATOM 0 HD21 LEU A 44 -1.146 31.953 -25.505 1.00 62.22 H new ATOM 0 HD22 LEU A 44 -0.278 32.810 -26.801 1.00 62.22 H new ATOM 0 HD23 LEU A 44 -0.510 31.048 -26.899 1.00 62.22 H new ATOM 673 N ASP A 45 3.465 30.862 -23.794 1.00 64.44 N ATOM 674 CA ASP A 45 4.174 31.237 -22.576 1.00 42.15 C ATOM 675 C ASP A 45 5.082 30.105 -22.105 1.00 52.20 C ATOM 676 O ASP A 45 6.051 30.335 -21.381 1.00 62.42 O ATOM 677 CB ASP A 45 3.179 31.603 -21.474 1.00 22.41 C ATOM 678 CG ASP A 45 3.823 31.639 -20.102 1.00 0.41 C ATOM 679 OD1 ASP A 45 4.861 32.316 -19.952 1.00 44.53 O ATOM 680 OD2 ASP A 45 3.289 30.990 -19.178 1.00 1.31 O ATOM 0 H ASP A 45 2.504 30.553 -23.645 1.00 64.44 H new ATOM 0 HA ASP A 45 4.794 32.106 -22.798 1.00 42.15 H new ATOM 0 HB2 ASP A 45 2.741 32.577 -21.692 1.00 22.41 H new ATOM 0 HB3 ASP A 45 2.363 30.880 -21.470 1.00 22.41 H new ATOM 685 N ILE A 46 4.760 28.884 -22.519 1.00 41.41 N ATOM 686 CA ILE A 46 5.546 27.717 -22.139 1.00 4.41 C ATOM 687 C ILE A 46 6.866 27.672 -22.901 1.00 5.10 C ATOM 688 O ILE A 46 7.849 27.100 -22.428 1.00 73.54 O ATOM 689 CB ILE A 46 4.774 26.410 -22.395 1.00 54.10 C ATOM 690 CG1 ILE A 46 3.416 26.448 -21.690 1.00 41.01 C ATOM 691 CG2 ILE A 46 5.587 25.213 -21.925 1.00 41.35 C ATOM 692 CD1 ILE A 46 3.519 26.466 -20.181 1.00 62.40 C ATOM 0 H ILE A 46 3.960 28.677 -23.118 1.00 41.41 H new ATOM 0 HA ILE A 46 5.748 27.807 -21.072 1.00 4.41 H new ATOM 0 HB ILE A 46 4.604 26.310 -23.467 1.00 54.10 H new ATOM 0 HG12 ILE A 46 2.869 27.332 -22.019 1.00 41.01 H new ATOM 0 HG13 ILE A 46 2.832 25.580 -21.996 1.00 41.01 H new ATOM 0 HG21 ILE A 46 5.027 24.297 -22.113 1.00 41.35 H new ATOM 0 HG22 ILE A 46 6.532 25.179 -22.468 1.00 41.35 H new ATOM 0 HG23 ILE A 46 5.785 25.304 -20.857 1.00 41.35 H new ATOM 0 HD11 ILE A 46 2.519 26.493 -19.748 1.00 62.40 H new ATOM 0 HD12 ILE A 46 4.038 25.570 -19.841 1.00 62.40 H new ATOM 0 HD13 ILE A 46 4.075 27.349 -19.865 1.00 62.40 H new ATOM 704 N TYR A 47 6.883 28.281 -24.082 1.00 33.44 N ATOM 705 CA TYR A 47 8.082 28.309 -24.910 1.00 42.51 C ATOM 706 C TYR A 47 9.284 28.804 -24.111 1.00 63.12 C ATOM 707 O TYR A 47 10.312 28.131 -24.037 1.00 1.53 O ATOM 708 CB TYR A 47 7.863 29.206 -26.130 1.00 61.52 C ATOM 709 CG TYR A 47 9.103 29.391 -26.976 1.00 32.40 C ATOM 710 CD1 TYR A 47 9.417 28.493 -27.989 1.00 74.21 C ATOM 711 CD2 TYR A 47 9.961 30.462 -26.762 1.00 14.25 C ATOM 712 CE1 TYR A 47 10.548 28.657 -28.764 1.00 4.30 C ATOM 713 CE2 TYR A 47 11.094 30.635 -27.532 1.00 52.44 C ATOM 714 CZ TYR A 47 11.384 29.730 -28.532 1.00 55.31 C ATOM 715 OH TYR A 47 12.512 29.899 -29.301 1.00 61.42 O ATOM 0 H TYR A 47 6.080 28.762 -24.487 1.00 33.44 H new ATOM 0 HA TYR A 47 8.285 27.292 -25.246 1.00 42.51 H new ATOM 0 HB2 TYR A 47 7.073 28.779 -26.747 1.00 61.52 H new ATOM 0 HB3 TYR A 47 7.513 30.182 -25.795 1.00 61.52 H new ATOM 0 HD1 TYR A 47 8.765 27.652 -28.173 1.00 74.21 H new ATOM 0 HD2 TYR A 47 9.738 31.172 -25.979 1.00 14.25 H new ATOM 0 HE1 TYR A 47 10.777 27.950 -29.547 1.00 4.30 H new ATOM 0 HE2 TYR A 47 11.750 31.474 -27.352 1.00 52.44 H new ATOM 0 HH TYR A 47 12.990 30.703 -29.009 1.00 61.42 H new ATOM 725 N GLU A 48 9.146 29.984 -23.515 1.00 53.13 N ATOM 726 CA GLU A 48 10.220 30.569 -22.722 1.00 0.32 C ATOM 727 C GLU A 48 10.388 29.825 -21.400 1.00 61.24 C ATOM 728 O GLU A 48 11.479 29.787 -20.830 1.00 43.32 O ATOM 729 CB GLU A 48 9.938 32.049 -22.454 1.00 3.22 C ATOM 730 CG GLU A 48 10.103 32.932 -23.680 1.00 23.15 C ATOM 731 CD GLU A 48 11.545 33.027 -24.140 1.00 72.34 C ATOM 732 OE1 GLU A 48 12.440 33.121 -23.275 1.00 20.20 O ATOM 733 OE2 GLU A 48 11.777 33.006 -25.367 1.00 43.53 O ATOM 0 H GLU A 48 8.301 30.553 -23.566 1.00 53.13 H new ATOM 0 HA GLU A 48 11.146 30.480 -23.290 1.00 0.32 H new ATOM 0 HB2 GLU A 48 8.921 32.154 -22.075 1.00 3.22 H new ATOM 0 HB3 GLU A 48 10.608 32.402 -21.670 1.00 3.22 H new ATOM 0 HG2 GLU A 48 9.492 32.538 -24.492 1.00 23.15 H new ATOM 0 HG3 GLU A 48 9.730 33.932 -23.456 1.00 23.15 H new ATOM 740 N LEU A 49 9.300 29.234 -20.919 1.00 2.03 N ATOM 741 CA LEU A 49 9.325 28.490 -19.664 1.00 4.41 C ATOM 742 C LEU A 49 10.334 27.348 -19.728 1.00 72.23 C ATOM 743 O LEU A 49 11.280 27.295 -18.941 1.00 14.01 O ATOM 744 CB LEU A 49 7.934 27.940 -19.346 1.00 52.32 C ATOM 745 CG LEU A 49 7.750 27.345 -17.950 1.00 21.02 C ATOM 746 CD1 LEU A 49 7.724 28.445 -16.900 1.00 20.22 C ATOM 747 CD2 LEU A 49 6.476 26.515 -17.887 1.00 42.02 C ATOM 0 H LEU A 49 8.390 29.255 -21.379 1.00 2.03 H new ATOM 0 HA LEU A 49 9.628 29.174 -18.871 1.00 4.41 H new ATOM 0 HB2 LEU A 49 7.209 28.744 -19.475 1.00 52.32 H new ATOM 0 HB3 LEU A 49 7.692 27.172 -20.081 1.00 52.32 H new ATOM 0 HG LEU A 49 8.596 26.691 -17.741 1.00 21.02 H new ATOM 0 HD11 LEU A 49 7.592 28.002 -15.913 1.00 20.22 H new ATOM 0 HD12 LEU A 49 8.664 28.997 -16.928 1.00 20.22 H new ATOM 0 HD13 LEU A 49 6.897 29.125 -17.106 1.00 20.22 H new ATOM 0 HD21 LEU A 49 6.362 26.099 -16.886 1.00 42.02 H new ATOM 0 HD22 LEU A 49 5.618 27.147 -18.118 1.00 42.02 H new ATOM 0 HD23 LEU A 49 6.534 25.703 -18.612 1.00 42.02 H new ATOM 759 N LEU A 50 10.127 26.436 -20.672 1.00 21.21 N ATOM 760 CA LEU A 50 11.020 25.294 -20.841 1.00 54.43 C ATOM 761 C LEU A 50 12.365 25.735 -21.409 1.00 60.32 C ATOM 762 O LEU A 50 13.410 25.191 -21.051 1.00 33.53 O ATOM 763 CB LEU A 50 10.380 24.254 -21.763 1.00 0.23 C ATOM 764 CG LEU A 50 9.798 24.786 -23.073 1.00 35.33 C ATOM 765 CD1 LEU A 50 10.643 24.336 -24.254 1.00 72.22 C ATOM 766 CD2 LEU A 50 8.356 24.327 -23.240 1.00 42.24 C ATOM 0 H LEU A 50 9.349 26.465 -21.332 1.00 21.21 H new ATOM 0 HA LEU A 50 11.189 24.847 -19.861 1.00 54.43 H new ATOM 0 HB2 LEU A 50 11.129 23.499 -22.002 1.00 0.23 H new ATOM 0 HB3 LEU A 50 9.585 23.751 -21.213 1.00 0.23 H new ATOM 0 HG LEU A 50 9.810 25.875 -23.039 1.00 35.33 H new ATOM 0 HD11 LEU A 50 10.213 24.724 -25.178 1.00 72.22 H new ATOM 0 HD12 LEU A 50 11.659 24.714 -24.139 1.00 72.22 H new ATOM 0 HD13 LEU A 50 10.663 23.247 -24.293 1.00 72.22 H new ATOM 0 HD21 LEU A 50 7.957 24.714 -24.177 1.00 42.24 H new ATOM 0 HD22 LEU A 50 8.320 23.238 -23.253 1.00 42.24 H new ATOM 0 HD23 LEU A 50 7.757 24.700 -22.409 1.00 42.24 H new ATOM 778 N TYR A 51 12.332 26.724 -22.295 1.00 1.12 N ATOM 779 CA TYR A 51 13.549 27.238 -22.913 1.00 32.24 C ATOM 780 C TYR A 51 14.559 27.665 -21.853 1.00 4.15 C ATOM 781 O TYR A 51 15.739 27.318 -21.926 1.00 50.03 O ATOM 782 CB TYR A 51 13.222 28.419 -23.827 1.00 52.41 C ATOM 783 CG TYR A 51 14.432 29.239 -24.213 1.00 41.33 C ATOM 784 CD1 TYR A 51 15.615 28.625 -24.605 1.00 4.03 C ATOM 785 CD2 TYR A 51 14.393 30.628 -24.186 1.00 31.22 C ATOM 786 CE1 TYR A 51 16.724 29.370 -24.958 1.00 21.13 C ATOM 787 CE2 TYR A 51 15.496 31.381 -24.539 1.00 21.35 C ATOM 788 CZ TYR A 51 16.659 30.747 -24.924 1.00 3.35 C ATOM 789 OH TYR A 51 17.761 31.494 -25.274 1.00 71.43 O ATOM 0 H TYR A 51 11.476 27.186 -22.602 1.00 1.12 H new ATOM 0 HA TYR A 51 13.990 26.438 -23.508 1.00 32.24 H new ATOM 0 HB2 TYR A 51 12.743 28.045 -24.732 1.00 52.41 H new ATOM 0 HB3 TYR A 51 12.500 29.065 -23.328 1.00 52.41 H new ATOM 0 HD1 TYR A 51 15.669 27.547 -24.634 1.00 4.03 H new ATOM 0 HD2 TYR A 51 13.484 31.127 -23.884 1.00 31.22 H new ATOM 0 HE1 TYR A 51 17.636 28.877 -25.259 1.00 21.13 H new ATOM 0 HE2 TYR A 51 15.448 32.460 -24.514 1.00 21.35 H new ATOM 0 HH TYR A 51 17.548 32.447 -25.197 1.00 71.43 H new ATOM 799 N LEU A 52 14.089 28.420 -20.866 1.00 55.23 N ATOM 800 CA LEU A 52 14.949 28.896 -19.789 1.00 24.32 C ATOM 801 C LEU A 52 15.196 27.795 -18.762 1.00 74.33 C ATOM 802 O LEU A 52 16.222 27.784 -18.081 1.00 51.22 O ATOM 803 CB LEU A 52 14.322 30.113 -19.107 1.00 73.14 C ATOM 804 CG LEU A 52 14.677 31.475 -19.706 1.00 35.50 C ATOM 805 CD1 LEU A 52 14.146 31.588 -21.127 1.00 33.34 C ATOM 806 CD2 LEU A 52 14.128 32.598 -18.839 1.00 34.15 C ATOM 0 H LEU A 52 13.116 28.716 -20.790 1.00 55.23 H new ATOM 0 HA LEU A 52 15.906 29.184 -20.224 1.00 24.32 H new ATOM 0 HB2 LEU A 52 13.238 29.999 -19.131 1.00 73.14 H new ATOM 0 HB3 LEU A 52 14.620 30.111 -18.059 1.00 73.14 H new ATOM 0 HG LEU A 52 15.763 31.565 -19.738 1.00 35.50 H new ATOM 0 HD11 LEU A 52 14.408 32.563 -21.537 1.00 33.34 H new ATOM 0 HD12 LEU A 52 14.587 30.805 -21.744 1.00 33.34 H new ATOM 0 HD13 LEU A 52 13.062 31.477 -21.120 1.00 33.34 H new ATOM 0 HD21 LEU A 52 14.390 33.560 -19.280 1.00 34.15 H new ATOM 0 HD22 LEU A 52 13.043 32.511 -18.775 1.00 34.15 H new ATOM 0 HD23 LEU A 52 14.557 32.529 -17.839 1.00 34.15 H new ATOM 818 N LEU A 53 14.249 26.868 -18.658 1.00 2.32 N ATOM 819 CA LEU A 53 14.364 25.760 -17.716 1.00 11.32 C ATOM 820 C LEU A 53 15.492 24.816 -18.120 1.00 52.31 C ATOM 821 O LEU A 53 16.363 24.494 -17.313 1.00 50.21 O ATOM 822 CB LEU A 53 13.043 24.992 -17.639 1.00 24.04 C ATOM 823 CG LEU A 53 12.287 25.089 -16.313 1.00 53.45 C ATOM 824 CD1 LEU A 53 12.089 26.544 -15.917 1.00 44.32 C ATOM 825 CD2 LEU A 53 10.947 24.375 -16.411 1.00 33.22 C ATOM 0 H LEU A 53 13.394 26.862 -19.214 1.00 2.32 H new ATOM 0 HA LEU A 53 14.595 26.172 -16.734 1.00 11.32 H new ATOM 0 HB2 LEU A 53 12.390 25.352 -18.434 1.00 24.04 H new ATOM 0 HB3 LEU A 53 13.245 23.940 -17.843 1.00 24.04 H new ATOM 0 HG LEU A 53 12.882 24.601 -15.541 1.00 53.45 H new ATOM 0 HD11 LEU A 53 11.549 26.593 -14.971 1.00 44.32 H new ATOM 0 HD12 LEU A 53 13.060 27.026 -15.806 1.00 44.32 H new ATOM 0 HD13 LEU A 53 11.515 27.056 -16.689 1.00 44.32 H new ATOM 0 HD21 LEU A 53 10.422 24.454 -15.459 1.00 33.22 H new ATOM 0 HD22 LEU A 53 10.346 24.835 -17.196 1.00 33.22 H new ATOM 0 HD23 LEU A 53 11.111 23.324 -16.649 1.00 33.22 H new ATOM 837 N GLU A 54 15.469 24.379 -19.375 1.00 61.32 N ATOM 838 CA GLU A 54 16.491 23.473 -19.886 1.00 61.22 C ATOM 839 C GLU A 54 17.864 24.138 -19.872 1.00 3.31 C ATOM 840 O GLU A 54 18.882 23.480 -19.660 1.00 72.40 O ATOM 841 CB GLU A 54 16.144 23.026 -21.308 1.00 35.13 C ATOM 842 CG GLU A 54 16.264 24.134 -22.341 1.00 23.34 C ATOM 843 CD GLU A 54 17.564 24.066 -23.120 1.00 34.14 C ATOM 844 OE1 GLU A 54 18.615 24.425 -22.550 1.00 25.22 O ATOM 845 OE2 GLU A 54 17.529 23.655 -24.298 1.00 73.40 O ATOM 0 H GLU A 54 14.755 24.637 -20.056 1.00 61.32 H new ATOM 0 HA GLU A 54 16.523 22.599 -19.235 1.00 61.22 H new ATOM 0 HB2 GLU A 54 16.801 22.204 -21.592 1.00 35.13 H new ATOM 0 HB3 GLU A 54 15.125 22.639 -21.320 1.00 35.13 H new ATOM 0 HG2 GLU A 54 15.425 24.072 -23.034 1.00 23.34 H new ATOM 0 HG3 GLU A 54 16.194 25.100 -21.842 1.00 23.34 H new ATOM 852 N GLU A 55 17.883 25.448 -20.100 1.00 22.13 N ATOM 853 CA GLU A 55 19.131 26.202 -20.114 1.00 41.04 C ATOM 854 C GLU A 55 19.791 26.189 -18.739 1.00 22.43 C ATOM 855 O GLU A 55 20.974 26.500 -18.603 1.00 61.31 O ATOM 856 CB GLU A 55 18.876 27.645 -20.556 1.00 32.33 C ATOM 857 CG GLU A 55 20.147 28.445 -20.786 1.00 71.44 C ATOM 858 CD GLU A 55 20.273 28.941 -22.214 1.00 14.55 C ATOM 859 OE1 GLU A 55 20.038 28.141 -23.143 1.00 31.53 O ATOM 860 OE2 GLU A 55 20.606 30.130 -22.401 1.00 53.14 O ATOM 0 H GLU A 55 17.049 26.008 -20.277 1.00 22.13 H new ATOM 0 HA GLU A 55 19.805 25.725 -20.825 1.00 41.04 H new ATOM 0 HB2 GLU A 55 18.291 27.636 -21.476 1.00 32.33 H new ATOM 0 HB3 GLU A 55 18.273 28.147 -19.799 1.00 32.33 H new ATOM 0 HG2 GLU A 55 20.164 29.297 -20.106 1.00 71.44 H new ATOM 0 HG3 GLU A 55 21.011 27.826 -20.543 1.00 71.44 H new ATOM 867 N ALA A 56 19.017 25.827 -17.721 1.00 20.41 N ATOM 868 CA ALA A 56 19.526 25.771 -16.356 1.00 72.01 C ATOM 869 C ALA A 56 20.126 24.403 -16.049 1.00 54.01 C ATOM 870 O ALA A 56 20.918 24.256 -15.119 1.00 3.34 O ATOM 871 CB ALA A 56 18.418 26.098 -15.366 1.00 74.11 C ATOM 0 H ALA A 56 18.035 25.568 -17.816 1.00 20.41 H new ATOM 0 HA ALA A 56 20.317 26.515 -16.259 1.00 72.01 H new ATOM 0 HB1 ALA A 56 18.812 26.052 -14.351 1.00 74.11 H new ATOM 0 HB2 ALA A 56 18.038 27.100 -15.563 1.00 74.11 H new ATOM 0 HB3 ALA A 56 17.609 25.376 -15.474 1.00 74.11 H new ATOM 877 N PHE A 57 19.742 23.404 -16.836 1.00 73.44 N ATOM 878 CA PHE A 57 20.241 22.046 -16.647 1.00 54.53 C ATOM 879 C PHE A 57 21.249 21.682 -17.732 1.00 64.45 C ATOM 880 O PHE A 57 21.685 20.534 -17.830 1.00 13.21 O ATOM 881 CB PHE A 57 19.081 21.048 -16.657 1.00 1.24 C ATOM 882 CG PHE A 57 17.870 21.529 -15.910 1.00 0.14 C ATOM 883 CD1 PHE A 57 17.998 22.112 -14.659 1.00 55.52 C ATOM 884 CD2 PHE A 57 16.604 21.398 -16.458 1.00 3.42 C ATOM 885 CE1 PHE A 57 16.885 22.555 -13.969 1.00 53.05 C ATOM 886 CE2 PHE A 57 15.488 21.840 -15.773 1.00 33.52 C ATOM 887 CZ PHE A 57 15.628 22.420 -14.527 1.00 64.44 C ATOM 0 H PHE A 57 19.087 23.509 -17.611 1.00 73.44 H new ATOM 0 HA PHE A 57 20.742 22.001 -15.680 1.00 54.53 H new ATOM 0 HB2 PHE A 57 18.802 20.838 -17.689 1.00 1.24 H new ATOM 0 HB3 PHE A 57 19.417 20.108 -16.221 1.00 1.24 H new ATOM 0 HD1 PHE A 57 18.978 22.221 -14.218 1.00 55.52 H new ATOM 0 HD2 PHE A 57 16.488 20.945 -17.432 1.00 3.42 H new ATOM 0 HE1 PHE A 57 16.998 23.006 -12.994 1.00 53.05 H new ATOM 0 HE2 PHE A 57 14.507 21.732 -16.212 1.00 33.52 H new ATOM 0 HZ PHE A 57 14.757 22.767 -13.990 1.00 64.44 H new ATOM 897 N ASP A 58 21.616 22.666 -18.546 1.00 73.20 N ATOM 898 CA ASP A 58 22.573 22.450 -19.624 1.00 63.05 C ATOM 899 C ASP A 58 22.176 21.244 -20.471 1.00 1.53 C ATOM 900 O ASP A 58 22.838 20.207 -20.440 1.00 42.05 O ATOM 901 CB ASP A 58 23.978 22.248 -19.055 1.00 3.21 C ATOM 902 CG ASP A 58 25.064 22.613 -20.048 1.00 53.04 C ATOM 903 OD1 ASP A 58 24.891 23.614 -20.774 1.00 51.13 O ATOM 904 OD2 ASP A 58 26.086 21.897 -20.101 1.00 33.22 O ATOM 0 H ASP A 58 21.265 23.621 -18.479 1.00 73.20 H new ATOM 0 HA ASP A 58 22.571 23.335 -20.260 1.00 63.05 H new ATOM 0 HB2 ASP A 58 24.093 22.854 -18.156 1.00 3.21 H new ATOM 0 HB3 ASP A 58 24.099 21.207 -18.755 1.00 3.21 H new ATOM 909 N ASP A 59 21.091 21.388 -21.224 1.00 1.44 N ATOM 910 CA ASP A 59 20.605 20.311 -22.078 1.00 42.54 C ATOM 911 C ASP A 59 19.589 20.836 -23.088 1.00 71.41 C ATOM 912 O ASP A 59 18.635 21.524 -22.725 1.00 74.40 O ATOM 913 CB ASP A 59 19.977 19.204 -21.232 1.00 32.43 C ATOM 914 CG ASP A 59 20.930 18.050 -20.988 1.00 75.35 C ATOM 915 OD1 ASP A 59 21.455 17.496 -21.977 1.00 23.53 O ATOM 916 OD2 ASP A 59 21.150 17.701 -19.810 1.00 2.41 O ATOM 0 H ASP A 59 20.531 22.240 -21.260 1.00 1.44 H new ATOM 0 HA ASP A 59 21.455 19.901 -22.624 1.00 42.54 H new ATOM 0 HB2 ASP A 59 19.660 19.618 -20.275 1.00 32.43 H new ATOM 0 HB3 ASP A 59 19.082 18.833 -21.731 1.00 32.43 H new ATOM 921 N LYS A 60 19.801 20.507 -24.358 1.00 35.30 N ATOM 922 CA LYS A 60 18.904 20.943 -25.422 1.00 12.34 C ATOM 923 C LYS A 60 17.551 20.247 -25.313 1.00 10.24 C ATOM 924 O LYS A 60 17.481 19.031 -25.133 1.00 62.02 O ATOM 925 CB LYS A 60 19.527 20.660 -26.790 1.00 74.54 C ATOM 926 CG LYS A 60 20.399 21.790 -27.308 1.00 55.32 C ATOM 927 CD LYS A 60 19.564 22.897 -27.931 1.00 5.55 C ATOM 928 CE LYS A 60 20.413 23.814 -28.798 1.00 62.14 C ATOM 929 NZ LYS A 60 20.405 23.390 -30.226 1.00 55.41 N ATOM 0 H LYS A 60 20.587 19.939 -24.676 1.00 35.30 H new ATOM 0 HA LYS A 60 18.749 22.017 -25.315 1.00 12.34 H new ATOM 0 HB2 LYS A 60 20.125 19.751 -26.726 1.00 74.54 H new ATOM 0 HB3 LYS A 60 18.731 20.468 -27.509 1.00 74.54 H new ATOM 0 HG2 LYS A 60 20.993 22.197 -26.490 1.00 55.32 H new ATOM 0 HG3 LYS A 60 21.099 21.401 -28.047 1.00 55.32 H new ATOM 0 HD2 LYS A 60 18.768 22.459 -28.533 1.00 5.55 H new ATOM 0 HD3 LYS A 60 19.085 23.479 -27.144 1.00 5.55 H new ATOM 0 HE2 LYS A 60 20.040 24.835 -28.720 1.00 62.14 H new ATOM 0 HE3 LYS A 60 21.438 23.819 -28.426 1.00 62.14 H new ATOM 0 HZ1 LYS A 60 20.995 24.040 -30.784 1.00 55.41 H new ATOM 0 HZ2 LYS A 60 20.784 22.425 -30.304 1.00 55.41 H new ATOM 0 HZ3 LYS A 60 19.430 23.409 -30.588 1.00 55.41 H new ATOM 943 N ILE A 61 16.480 21.025 -25.424 1.00 13.34 N ATOM 944 CA ILE A 61 15.130 20.482 -25.340 1.00 54.10 C ATOM 945 C ILE A 61 14.813 19.609 -26.549 1.00 73.41 C ATOM 946 O ILE A 61 14.471 18.432 -26.424 1.00 0.50 O ATOM 947 CB ILE A 61 14.077 21.602 -25.240 1.00 43.21 C ATOM 948 CG1 ILE A 61 13.849 21.989 -23.777 1.00 63.43 C ATOM 949 CG2 ILE A 61 12.773 21.162 -25.887 1.00 55.31 C ATOM 950 CD1 ILE A 61 13.160 20.912 -22.968 1.00 43.14 C ATOM 0 H ILE A 61 16.521 22.033 -25.572 1.00 13.34 H new ATOM 0 HA ILE A 61 15.090 19.875 -24.435 1.00 54.10 H new ATOM 0 HB ILE A 61 14.447 22.477 -25.774 1.00 43.21 H new ATOM 0 HG12 ILE A 61 14.810 22.220 -23.317 1.00 63.43 H new ATOM 0 HG13 ILE A 61 13.251 22.899 -23.739 1.00 63.43 H new ATOM 0 HG21 ILE A 61 12.039 21.964 -25.808 1.00 55.31 H new ATOM 0 HG22 ILE A 61 12.948 20.932 -26.938 1.00 55.31 H new ATOM 0 HG23 ILE A 61 12.396 20.274 -25.379 1.00 55.31 H new ATOM 0 HD11 ILE A 61 13.031 21.255 -21.941 1.00 43.14 H new ATOM 0 HD12 ILE A 61 12.184 20.697 -23.404 1.00 43.14 H new ATOM 0 HD13 ILE A 61 13.768 20.007 -22.975 1.00 43.14 H new ATOM 962 N PRO A 62 14.930 20.195 -27.750 1.00 11.13 N ATOM 963 CA PRO A 62 14.663 19.488 -29.006 1.00 33.24 C ATOM 964 C PRO A 62 15.717 18.430 -29.311 1.00 23.53 C ATOM 965 O PRO A 62 15.615 17.707 -30.301 1.00 30.50 O ATOM 966 CB PRO A 62 14.703 20.601 -30.055 1.00 42.23 C ATOM 967 CG PRO A 62 15.571 21.654 -29.457 1.00 52.31 C ATOM 968 CD PRO A 62 15.333 21.594 -27.974 1.00 33.44 C ATOM 0 HA PRO A 62 13.718 18.946 -28.976 1.00 33.24 H new ATOM 0 HB2 PRO A 62 15.111 20.241 -30.999 1.00 42.23 H new ATOM 0 HB3 PRO A 62 13.704 20.983 -30.265 1.00 42.23 H new ATOM 0 HG2 PRO A 62 16.620 21.474 -29.691 1.00 52.31 H new ATOM 0 HG3 PRO A 62 15.320 22.638 -29.853 1.00 52.31 H new ATOM 0 HD2 PRO A 62 16.232 21.848 -27.412 1.00 33.44 H new ATOM 0 HD3 PRO A 62 14.555 22.291 -27.663 1.00 33.44 H new ATOM 976 N GLU A 63 16.729 18.345 -28.453 1.00 24.31 N ATOM 977 CA GLU A 63 17.803 17.374 -28.633 1.00 13.05 C ATOM 978 C GLU A 63 17.716 16.267 -27.585 1.00 43.43 C ATOM 979 O GLU A 63 17.461 15.109 -27.911 1.00 61.10 O ATOM 980 CB GLU A 63 19.165 18.065 -28.549 1.00 0.55 C ATOM 981 CG GLU A 63 20.240 17.397 -29.389 1.00 31.43 C ATOM 982 CD GLU A 63 21.622 17.524 -28.777 1.00 73.42 C ATOM 983 OE1 GLU A 63 22.229 18.607 -28.905 1.00 50.52 O ATOM 984 OE2 GLU A 63 22.096 16.540 -28.171 1.00 53.13 O ATOM 0 H GLU A 63 16.828 18.936 -27.627 1.00 24.31 H new ATOM 0 HA GLU A 63 17.692 16.926 -29.620 1.00 13.05 H new ATOM 0 HB2 GLU A 63 19.057 19.101 -28.869 1.00 0.55 H new ATOM 0 HB3 GLU A 63 19.489 18.085 -27.508 1.00 0.55 H new ATOM 0 HG2 GLU A 63 19.997 16.342 -29.511 1.00 31.43 H new ATOM 0 HG3 GLU A 63 20.246 17.840 -30.385 1.00 31.43 H new ATOM 991 N ASN A 64 17.932 16.634 -26.326 1.00 53.31 N ATOM 992 CA ASN A 64 17.880 15.673 -25.230 1.00 55.25 C ATOM 993 C ASN A 64 16.439 15.278 -24.921 1.00 54.52 C ATOM 994 O ASN A 64 16.069 14.110 -25.028 1.00 31.32 O ATOM 995 CB ASN A 64 18.540 16.258 -23.980 1.00 73.50 C ATOM 996 CG ASN A 64 18.832 15.200 -22.933 1.00 2.31 C ATOM 997 OD1 ASN A 64 19.710 14.357 -23.115 1.00 61.40 O ATOM 998 ND2 ASN A 64 18.095 15.241 -21.829 1.00 5.51 N ATOM 0 H ASN A 64 18.145 17.590 -26.039 1.00 53.31 H new ATOM 0 HA ASN A 64 18.425 14.780 -25.536 1.00 55.25 H new ATOM 0 HB2 ASN A 64 19.469 16.754 -24.261 1.00 73.50 H new ATOM 0 HB3 ASN A 64 17.889 17.020 -23.551 1.00 73.50 H new ATOM 0 HD21 ASN A 64 18.246 14.555 -21.089 1.00 5.51 H new ATOM 0 HD22 ASN A 64 17.378 15.958 -21.721 1.00 5.51 H new ATOM 1005 N GLU A 65 15.630 16.262 -24.538 1.00 44.14 N ATOM 1006 CA GLU A 65 14.230 16.017 -24.214 1.00 22.34 C ATOM 1007 C GLU A 65 13.511 15.345 -25.380 1.00 30.44 C ATOM 1008 O GLU A 65 12.762 14.387 -25.191 1.00 71.53 O ATOM 1009 CB GLU A 65 13.529 17.329 -23.856 1.00 21.12 C ATOM 1010 CG GLU A 65 13.372 17.547 -22.360 1.00 73.33 C ATOM 1011 CD GLU A 65 14.690 17.843 -21.672 1.00 12.50 C ATOM 1012 OE1 GLU A 65 15.067 19.032 -21.601 1.00 14.13 O ATOM 1013 OE2 GLU A 65 15.344 16.888 -21.205 1.00 44.12 O ATOM 0 H GLU A 65 15.921 17.235 -24.445 1.00 44.14 H new ATOM 0 HA GLU A 65 14.195 15.348 -23.354 1.00 22.34 H new ATOM 0 HB2 GLU A 65 14.094 18.160 -24.278 1.00 21.12 H new ATOM 0 HB3 GLU A 65 12.544 17.344 -24.322 1.00 21.12 H new ATOM 0 HG2 GLU A 65 12.683 18.374 -22.188 1.00 73.33 H new ATOM 0 HG3 GLU A 65 12.924 16.660 -21.912 1.00 73.33 H new ATOM 1020 N ALA A 66 13.744 15.855 -26.584 1.00 63.23 N ATOM 1021 CA ALA A 66 13.121 15.304 -27.781 1.00 73.01 C ATOM 1022 C ALA A 66 13.356 13.801 -27.880 1.00 62.45 C ATOM 1023 O ALA A 66 12.594 13.085 -28.529 1.00 12.14 O ATOM 1024 CB ALA A 66 13.650 16.006 -29.023 1.00 13.21 C ATOM 0 H ALA A 66 14.360 16.649 -26.757 1.00 63.23 H new ATOM 0 HA ALA A 66 12.046 15.473 -27.712 1.00 73.01 H new ATOM 0 HB1 ALA A 66 13.176 15.584 -29.909 1.00 13.21 H new ATOM 0 HB2 ALA A 66 13.425 17.071 -28.963 1.00 13.21 H new ATOM 0 HB3 ALA A 66 14.729 15.867 -29.088 1.00 13.21 H new ATOM 1030 N ASN A 67 14.417 13.329 -27.234 1.00 63.53 N ATOM 1031 CA ASN A 67 14.754 11.910 -27.251 1.00 72.43 C ATOM 1032 C ASN A 67 13.571 11.064 -26.788 1.00 2.53 C ATOM 1033 O ASN A 67 13.435 9.905 -27.176 1.00 31.10 O ATOM 1034 CB ASN A 67 15.968 11.641 -26.359 1.00 54.24 C ATOM 1035 CG ASN A 67 16.559 10.263 -26.587 1.00 41.52 C ATOM 1036 OD1 ASN A 67 16.796 9.513 -25.640 1.00 51.14 O ATOM 1037 ND2 ASN A 67 16.801 9.925 -27.848 1.00 71.33 N ATOM 0 H ASN A 67 15.058 13.908 -26.692 1.00 63.53 H new ATOM 0 HA ASN A 67 14.997 11.633 -28.277 1.00 72.43 H new ATOM 0 HB2 ASN A 67 16.730 12.396 -26.550 1.00 54.24 H new ATOM 0 HB3 ASN A 67 15.676 11.740 -25.313 1.00 54.24 H new ATOM 0 HD21 ASN A 67 17.199 9.011 -28.064 1.00 71.33 H new ATOM 0 HD22 ASN A 67 16.588 10.579 -28.601 1.00 71.33 H new ATOM 1044 N GLU A 68 12.719 11.655 -25.956 1.00 31.14 N ATOM 1045 CA GLU A 68 11.548 10.956 -25.439 1.00 62.32 C ATOM 1046 C GLU A 68 10.474 11.946 -24.999 1.00 35.31 C ATOM 1047 O GLU A 68 9.819 11.753 -23.974 1.00 53.12 O ATOM 1048 CB GLU A 68 11.940 10.056 -24.265 1.00 44.22 C ATOM 1049 CG GLU A 68 11.079 8.811 -24.138 1.00 14.31 C ATOM 1050 CD GLU A 68 11.188 8.163 -22.771 1.00 42.14 C ATOM 1051 OE1 GLU A 68 10.565 8.678 -21.820 1.00 14.04 O ATOM 1052 OE2 GLU A 68 11.897 7.142 -22.654 1.00 1.05 O ATOM 0 H GLU A 68 12.818 12.615 -25.626 1.00 31.14 H new ATOM 0 HA GLU A 68 11.142 10.339 -26.240 1.00 62.32 H new ATOM 0 HB2 GLU A 68 12.982 9.757 -24.380 1.00 44.22 H new ATOM 0 HB3 GLU A 68 11.873 10.629 -23.340 1.00 44.22 H new ATOM 0 HG2 GLU A 68 10.038 9.072 -24.330 1.00 14.31 H new ATOM 0 HG3 GLU A 68 11.373 8.091 -24.902 1.00 14.31 H new ATOM 1059 N PHE A 69 10.298 13.006 -25.780 1.00 44.14 N ATOM 1060 CA PHE A 69 9.305 14.028 -25.471 1.00 71.23 C ATOM 1061 C PHE A 69 8.025 13.801 -26.270 1.00 52.14 C ATOM 1062 O PHE A 69 8.048 13.192 -27.339 1.00 45.34 O ATOM 1063 CB PHE A 69 9.865 15.420 -25.768 1.00 50.43 C ATOM 1064 CG PHE A 69 9.792 16.358 -24.597 1.00 51.13 C ATOM 1065 CD1 PHE A 69 10.079 15.913 -23.317 1.00 73.41 C ATOM 1066 CD2 PHE A 69 9.436 17.685 -24.777 1.00 11.12 C ATOM 1067 CE1 PHE A 69 10.013 16.773 -22.237 1.00 52.03 C ATOM 1068 CE2 PHE A 69 9.369 18.550 -23.701 1.00 52.20 C ATOM 1069 CZ PHE A 69 9.656 18.093 -22.430 1.00 3.44 C ATOM 0 H PHE A 69 10.831 13.180 -26.632 1.00 44.14 H new ATOM 0 HA PHE A 69 9.067 13.959 -24.409 1.00 71.23 H new ATOM 0 HB2 PHE A 69 10.904 15.325 -26.083 1.00 50.43 H new ATOM 0 HB3 PHE A 69 9.316 15.853 -26.605 1.00 50.43 H new ATOM 0 HD1 PHE A 69 10.358 14.881 -23.161 1.00 73.41 H new ATOM 0 HD2 PHE A 69 9.208 18.047 -25.769 1.00 11.12 H new ATOM 0 HE1 PHE A 69 10.240 16.413 -21.244 1.00 52.03 H new ATOM 0 HE2 PHE A 69 9.092 19.583 -23.854 1.00 52.20 H new ATOM 0 HZ PHE A 69 9.601 18.767 -21.588 1.00 3.44 H new ATOM 1079 N GLU A 70 6.909 14.295 -25.742 1.00 43.34 N ATOM 1080 CA GLU A 70 5.619 14.145 -26.406 1.00 4.33 C ATOM 1081 C GLU A 70 4.623 15.184 -25.899 1.00 41.32 C ATOM 1082 O GLU A 70 4.115 16.001 -26.668 1.00 54.10 O ATOM 1083 CB GLU A 70 5.065 12.737 -26.178 1.00 53.55 C ATOM 1084 CG GLU A 70 4.046 12.309 -27.221 1.00 50.02 C ATOM 1085 CD GLU A 70 4.673 11.541 -28.368 1.00 61.43 C ATOM 1086 OE1 GLU A 70 5.646 10.797 -28.123 1.00 72.04 O ATOM 1087 OE2 GLU A 70 4.190 11.683 -29.511 1.00 43.42 O ATOM 0 H GLU A 70 6.872 14.802 -24.858 1.00 43.34 H new ATOM 0 HA GLU A 70 5.768 14.301 -27.475 1.00 4.33 H new ATOM 0 HB2 GLU A 70 5.891 12.026 -26.176 1.00 53.55 H new ATOM 0 HB3 GLU A 70 4.604 12.692 -25.191 1.00 53.55 H new ATOM 0 HG2 GLU A 70 3.285 11.689 -26.747 1.00 50.02 H new ATOM 0 HG3 GLU A 70 3.540 13.191 -27.613 1.00 50.02 H new ATOM 1094 N THR A 71 4.348 15.147 -24.599 1.00 74.01 N ATOM 1095 CA THR A 71 3.412 16.083 -23.989 1.00 75.31 C ATOM 1096 C THR A 71 3.836 16.438 -22.569 1.00 2.11 C ATOM 1097 O THR A 71 4.876 15.986 -22.090 1.00 3.23 O ATOM 1098 CB THR A 71 1.983 15.508 -23.957 1.00 31.41 C ATOM 1099 OG1 THR A 71 1.991 14.210 -23.351 1.00 72.04 O ATOM 1100 CG2 THR A 71 1.405 15.414 -25.361 1.00 44.11 C ATOM 0 H THR A 71 4.760 14.479 -23.948 1.00 74.01 H new ATOM 0 HA THR A 71 3.420 16.983 -24.603 1.00 75.31 H new ATOM 0 HB THR A 71 1.358 16.180 -23.369 1.00 31.41 H new ATOM 0 HG1 THR A 71 1.553 14.255 -22.475 1.00 72.04 H new ATOM 0 HG21 THR A 71 0.396 15.005 -25.312 1.00 44.11 H new ATOM 0 HG22 THR A 71 1.373 16.407 -25.809 1.00 44.11 H new ATOM 0 HG23 THR A 71 2.032 14.762 -25.969 1.00 44.11 H new ATOM 1108 N VAL A 72 3.024 17.250 -21.899 1.00 5.00 N ATOM 1109 CA VAL A 72 3.316 17.665 -20.532 1.00 34.32 C ATOM 1110 C VAL A 72 3.646 16.464 -19.652 1.00 11.20 C ATOM 1111 O VAL A 72 4.540 16.526 -18.809 1.00 52.21 O ATOM 1112 CB VAL A 72 2.131 18.430 -19.913 1.00 52.11 C ATOM 1113 CG1 VAL A 72 2.509 18.989 -18.550 1.00 43.11 C ATOM 1114 CG2 VAL A 72 1.670 19.541 -20.845 1.00 31.12 C ATOM 0 H VAL A 72 2.159 17.633 -22.281 1.00 5.00 H new ATOM 0 HA VAL A 72 4.181 18.326 -20.580 1.00 34.32 H new ATOM 0 HB VAL A 72 1.303 17.734 -19.776 1.00 52.11 H new ATOM 0 HG11 VAL A 72 1.659 19.526 -18.129 1.00 43.11 H new ATOM 0 HG12 VAL A 72 2.787 18.171 -17.886 1.00 43.11 H new ATOM 0 HG13 VAL A 72 3.352 19.671 -18.658 1.00 43.11 H new ATOM 0 HG21 VAL A 72 0.832 20.071 -20.392 1.00 31.12 H new ATOM 0 HG22 VAL A 72 2.491 20.237 -21.015 1.00 31.12 H new ATOM 0 HG23 VAL A 72 1.356 19.111 -21.796 1.00 31.12 H new ATOM 1124 N GLY A 73 2.918 15.370 -19.855 1.00 15.43 N ATOM 1125 CA GLY A 73 3.148 14.170 -19.073 1.00 24.04 C ATOM 1126 C GLY A 73 4.610 13.769 -19.044 1.00 11.05 C ATOM 1127 O GLY A 73 5.158 13.471 -17.982 1.00 72.31 O ATOM 0 H GLY A 73 2.173 15.294 -20.547 1.00 15.43 H new ATOM 0 HA2 GLY A 73 2.798 14.332 -18.053 1.00 24.04 H new ATOM 0 HA3 GLY A 73 2.558 13.352 -19.486 1.00 24.04 H new ATOM 1131 N ASP A 74 5.243 13.760 -20.212 1.00 15.14 N ATOM 1132 CA ASP A 74 6.650 13.392 -20.316 1.00 73.03 C ATOM 1133 C ASP A 74 7.518 14.315 -19.467 1.00 14.22 C ATOM 1134 O ASP A 74 8.479 13.875 -18.836 1.00 73.52 O ATOM 1135 CB ASP A 74 7.105 13.443 -21.775 1.00 42.34 C ATOM 1136 CG ASP A 74 6.335 12.480 -22.657 1.00 30.44 C ATOM 1137 OD1 ASP A 74 5.108 12.659 -22.800 1.00 53.12 O ATOM 1138 OD2 ASP A 74 6.959 11.545 -23.202 1.00 3.31 O ATOM 0 H ASP A 74 4.804 14.003 -21.100 1.00 15.14 H new ATOM 0 HA ASP A 74 6.762 12.374 -19.943 1.00 73.03 H new ATOM 0 HB2 ASP A 74 6.982 14.457 -22.155 1.00 42.34 H new ATOM 0 HB3 ASP A 74 8.168 13.209 -21.829 1.00 42.34 H new ATOM 1143 N VAL A 75 7.173 15.599 -19.456 1.00 33.12 N ATOM 1144 CA VAL A 75 7.920 16.585 -18.684 1.00 71.30 C ATOM 1145 C VAL A 75 7.848 16.284 -17.191 1.00 75.32 C ATOM 1146 O VAL A 75 8.858 16.326 -16.489 1.00 34.04 O ATOM 1147 CB VAL A 75 7.394 18.010 -18.935 1.00 53.32 C ATOM 1148 CG1 VAL A 75 8.332 19.041 -18.327 1.00 3.14 C ATOM 1149 CG2 VAL A 75 7.213 18.256 -20.425 1.00 52.15 C ATOM 0 H VAL A 75 6.381 15.981 -19.973 1.00 33.12 H new ATOM 0 HA VAL A 75 8.957 16.525 -19.014 1.00 71.30 H new ATOM 0 HB VAL A 75 6.422 18.109 -18.452 1.00 53.32 H new ATOM 0 HG11 VAL A 75 7.943 20.042 -18.515 1.00 3.14 H new ATOM 0 HG12 VAL A 75 8.406 18.876 -17.252 1.00 3.14 H new ATOM 0 HG13 VAL A 75 9.320 18.945 -18.778 1.00 3.14 H new ATOM 0 HG21 VAL A 75 6.841 19.268 -20.584 1.00 52.15 H new ATOM 0 HG22 VAL A 75 8.171 18.138 -20.932 1.00 52.15 H new ATOM 0 HG23 VAL A 75 6.498 17.539 -20.828 1.00 52.15 H new ATOM 1159 N VAL A 76 6.646 15.979 -16.712 1.00 74.01 N ATOM 1160 CA VAL A 76 6.441 15.669 -15.302 1.00 73.13 C ATOM 1161 C VAL A 76 7.402 14.583 -14.833 1.00 62.21 C ATOM 1162 O VAL A 76 8.058 14.723 -13.802 1.00 12.43 O ATOM 1163 CB VAL A 76 4.995 15.211 -15.033 1.00 21.32 C ATOM 1164 CG1 VAL A 76 4.828 14.796 -13.579 1.00 4.33 C ATOM 1165 CG2 VAL A 76 4.011 16.312 -15.398 1.00 71.41 C ATOM 0 H VAL A 76 5.800 15.940 -17.280 1.00 74.01 H new ATOM 0 HA VAL A 76 6.634 16.586 -14.745 1.00 73.13 H new ATOM 0 HB VAL A 76 4.784 14.344 -15.660 1.00 21.32 H new ATOM 0 HG11 VAL A 76 3.800 14.476 -13.408 1.00 4.33 H new ATOM 0 HG12 VAL A 76 5.507 13.973 -13.355 1.00 4.33 H new ATOM 0 HG13 VAL A 76 5.057 15.642 -12.931 1.00 4.33 H new ATOM 0 HG21 VAL A 76 2.994 15.971 -15.202 1.00 71.41 H new ATOM 0 HG22 VAL A 76 4.219 17.199 -14.799 1.00 71.41 H new ATOM 0 HG23 VAL A 76 4.114 16.556 -16.455 1.00 71.41 H new ATOM 1175 N ASN A 77 7.481 13.499 -15.599 1.00 2.14 N ATOM 1176 CA ASN A 77 8.363 12.388 -15.261 1.00 62.32 C ATOM 1177 C ASN A 77 9.819 12.740 -15.554 1.00 35.01 C ATOM 1178 O ASN A 77 10.738 12.144 -14.992 1.00 52.01 O ATOM 1179 CB ASN A 77 7.963 11.136 -16.044 1.00 75.40 C ATOM 1180 CG ASN A 77 6.470 11.069 -16.303 1.00 32.31 C ATOM 1181 OD1 ASN A 77 5.664 11.132 -15.374 1.00 60.32 O ATOM 1182 ND2 ASN A 77 6.094 10.940 -17.570 1.00 64.11 N ATOM 0 H ASN A 77 6.945 13.367 -16.457 1.00 2.14 H new ATOM 0 HA ASN A 77 8.263 12.189 -14.194 1.00 62.32 H new ATOM 0 HB2 ASN A 77 8.495 11.120 -16.995 1.00 75.40 H new ATOM 0 HB3 ASN A 77 8.273 10.250 -15.490 1.00 75.40 H new ATOM 0 HD21 ASN A 77 5.103 10.889 -17.805 1.00 64.11 H new ATOM 0 HD22 ASN A 77 6.796 10.892 -18.308 1.00 64.11 H new ATOM 1189 N PHE A 78 10.020 13.713 -16.436 1.00 61.24 N ATOM 1190 CA PHE A 78 11.363 14.145 -16.804 1.00 63.14 C ATOM 1191 C PHE A 78 12.017 14.919 -15.664 1.00 3.14 C ATOM 1192 O PHE A 78 13.062 14.520 -15.147 1.00 54.14 O ATOM 1193 CB PHE A 78 11.316 15.013 -18.063 1.00 53.15 C ATOM 1194 CG PHE A 78 11.931 14.358 -19.267 1.00 74.10 C ATOM 1195 CD1 PHE A 78 11.429 13.161 -19.753 1.00 51.40 C ATOM 1196 CD2 PHE A 78 13.011 14.938 -19.912 1.00 52.41 C ATOM 1197 CE1 PHE A 78 11.992 12.556 -20.861 1.00 21.14 C ATOM 1198 CE2 PHE A 78 13.578 14.338 -21.020 1.00 71.22 C ATOM 1199 CZ PHE A 78 13.069 13.145 -21.494 1.00 72.43 C ATOM 0 H PHE A 78 9.270 14.217 -16.909 1.00 61.24 H new ATOM 0 HA PHE A 78 11.960 13.256 -17.006 1.00 63.14 H new ATOM 0 HB2 PHE A 78 10.278 15.261 -18.285 1.00 53.15 H new ATOM 0 HB3 PHE A 78 11.833 15.952 -17.867 1.00 53.15 H new ATOM 0 HD1 PHE A 78 10.588 12.696 -19.260 1.00 51.40 H new ATOM 0 HD2 PHE A 78 13.415 15.870 -19.545 1.00 52.41 H new ATOM 0 HE1 PHE A 78 11.590 11.624 -21.231 1.00 21.14 H new ATOM 0 HE2 PHE A 78 14.419 14.802 -21.515 1.00 71.22 H new ATOM 0 HZ PHE A 78 13.512 12.673 -22.358 1.00 72.43 H new ATOM 1209 N ILE A 79 11.396 16.028 -15.276 1.00 73.34 N ATOM 1210 CA ILE A 79 11.916 16.858 -14.197 1.00 63.50 C ATOM 1211 C ILE A 79 11.865 16.120 -12.863 1.00 41.31 C ATOM 1212 O ILE A 79 12.591 16.456 -11.927 1.00 62.21 O ATOM 1213 CB ILE A 79 11.131 18.177 -14.072 1.00 62.42 C ATOM 1214 CG1 ILE A 79 11.056 18.881 -15.429 1.00 35.35 C ATOM 1215 CG2 ILE A 79 11.778 19.082 -13.035 1.00 22.13 C ATOM 1216 CD1 ILE A 79 10.351 20.219 -15.376 1.00 64.54 C ATOM 0 H ILE A 79 10.531 16.372 -15.693 1.00 73.34 H new ATOM 0 HA ILE A 79 12.953 17.085 -14.445 1.00 63.50 H new ATOM 0 HB ILE A 79 10.116 17.950 -13.745 1.00 62.42 H new ATOM 0 HG12 ILE A 79 12.067 19.027 -15.810 1.00 35.35 H new ATOM 0 HG13 ILE A 79 10.538 18.234 -16.137 1.00 35.35 H new ATOM 0 HG21 ILE A 79 11.212 20.010 -12.958 1.00 22.13 H new ATOM 0 HG22 ILE A 79 11.785 18.580 -12.068 1.00 22.13 H new ATOM 0 HG23 ILE A 79 12.802 19.305 -13.335 1.00 22.13 H new ATOM 0 HD11 ILE A 79 10.335 20.661 -16.372 1.00 64.54 H new ATOM 0 HD12 ILE A 79 9.329 20.078 -15.025 1.00 64.54 H new ATOM 0 HD13 ILE A 79 10.881 20.883 -14.693 1.00 64.54 H new ATOM 1228 N LYS A 80 11.003 15.112 -12.783 1.00 41.33 N ATOM 1229 CA LYS A 80 10.858 14.324 -11.566 1.00 30.35 C ATOM 1230 C LYS A 80 12.140 13.556 -11.258 1.00 73.15 C ATOM 1231 O LYS A 80 12.682 13.647 -10.157 1.00 13.02 O ATOM 1232 CB LYS A 80 9.687 13.348 -11.702 1.00 13.24 C ATOM 1233 CG LYS A 80 8.404 13.844 -11.056 1.00 23.40 C ATOM 1234 CD LYS A 80 7.276 12.839 -11.214 1.00 72.45 C ATOM 1235 CE LYS A 80 7.616 11.510 -10.556 1.00 14.42 C ATOM 1236 NZ LYS A 80 6.485 10.545 -10.638 1.00 13.11 N ATOM 0 H LYS A 80 10.394 14.822 -13.548 1.00 41.33 H new ATOM 0 HA LYS A 80 10.659 15.009 -10.742 1.00 30.35 H new ATOM 0 HB2 LYS A 80 9.502 13.160 -12.760 1.00 13.24 H new ATOM 0 HB3 LYS A 80 9.965 12.395 -11.253 1.00 13.24 H new ATOM 0 HG2 LYS A 80 8.578 14.033 -9.997 1.00 23.40 H new ATOM 0 HG3 LYS A 80 8.113 14.793 -11.506 1.00 23.40 H new ATOM 0 HD2 LYS A 80 6.364 13.242 -10.773 1.00 72.45 H new ATOM 0 HD3 LYS A 80 7.074 12.680 -12.273 1.00 72.45 H new ATOM 0 HE2 LYS A 80 8.495 11.081 -11.037 1.00 14.42 H new ATOM 0 HE3 LYS A 80 7.875 11.678 -9.511 1.00 14.42 H new ATOM 0 HZ1 LYS A 80 6.756 9.652 -10.179 1.00 13.11 H new ATOM 0 HZ2 LYS A 80 5.653 10.943 -10.157 1.00 13.11 H new ATOM 0 HZ3 LYS A 80 6.254 10.365 -11.636 1.00 13.11 H new ATOM 1250 N LYS A 81 12.621 12.800 -12.240 1.00 11.41 N ATOM 1251 CA LYS A 81 13.841 12.019 -12.076 1.00 73.55 C ATOM 1252 C LYS A 81 15.076 12.897 -12.243 1.00 45.03 C ATOM 1253 O LYS A 81 16.089 12.694 -11.573 1.00 61.43 O ATOM 1254 CB LYS A 81 13.876 10.872 -13.090 1.00 41.50 C ATOM 1255 CG LYS A 81 13.810 11.336 -14.535 1.00 4.11 C ATOM 1256 CD LYS A 81 15.188 11.363 -15.175 1.00 42.30 C ATOM 1257 CE LYS A 81 15.120 11.813 -16.627 1.00 34.34 C ATOM 1258 NZ LYS A 81 16.291 11.334 -17.411 1.00 62.13 N ATOM 0 H LYS A 81 12.184 12.712 -13.158 1.00 11.41 H new ATOM 0 HA LYS A 81 13.845 11.605 -11.068 1.00 73.55 H new ATOM 0 HB2 LYS A 81 14.790 10.296 -12.943 1.00 41.50 H new ATOM 0 HB3 LYS A 81 13.041 10.200 -12.894 1.00 41.50 H new ATOM 0 HG2 LYS A 81 13.157 10.672 -15.102 1.00 4.11 H new ATOM 0 HG3 LYS A 81 13.368 12.331 -14.579 1.00 4.11 H new ATOM 0 HD2 LYS A 81 15.837 12.036 -14.615 1.00 42.30 H new ATOM 0 HD3 LYS A 81 15.635 10.370 -15.121 1.00 42.30 H new ATOM 0 HE2 LYS A 81 14.202 11.439 -17.080 1.00 34.34 H new ATOM 0 HE3 LYS A 81 15.076 12.901 -16.668 1.00 34.34 H new ATOM 0 HZ1 LYS A 81 16.208 11.661 -18.395 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 17.166 11.711 -16.994 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 16.319 10.295 -17.393 1.00 62.13 H new ATOM 1272 N ARG A 82 14.986 13.874 -13.139 1.00 53.33 N ATOM 1273 CA ARG A 82 16.097 14.784 -13.393 1.00 75.32 C ATOM 1274 C ARG A 82 16.572 15.436 -12.098 1.00 63.33 C ATOM 1275 O ARG A 82 17.772 15.511 -11.832 1.00 61.13 O ATOM 1276 CB ARG A 82 15.682 15.861 -14.397 1.00 1.20 C ATOM 1277 CG ARG A 82 16.023 15.515 -15.837 1.00 42.42 C ATOM 1278 CD ARG A 82 16.041 16.755 -16.719 1.00 35.45 C ATOM 1279 NE ARG A 82 14.695 17.168 -17.108 1.00 1.10 N ATOM 1280 CZ ARG A 82 14.448 18.147 -17.971 1.00 62.25 C ATOM 1281 NH1 ARG A 82 15.451 18.809 -18.533 1.00 35.31 N ATOM 1282 NH2 ARG A 82 13.196 18.465 -18.275 1.00 63.15 N ATOM 0 H ARG A 82 14.155 14.056 -13.702 1.00 53.33 H new ATOM 0 HA ARG A 82 16.920 14.205 -13.811 1.00 75.32 H new ATOM 0 HB2 ARG A 82 14.608 16.026 -14.317 1.00 1.20 H new ATOM 0 HB3 ARG A 82 16.169 16.799 -14.133 1.00 1.20 H new ATOM 0 HG2 ARG A 82 16.997 15.027 -15.874 1.00 42.42 H new ATOM 0 HG3 ARG A 82 15.294 14.803 -16.224 1.00 42.42 H new ATOM 0 HD2 ARG A 82 16.531 17.571 -16.188 1.00 35.45 H new ATOM 0 HD3 ARG A 82 16.632 16.556 -17.613 1.00 35.45 H new ATOM 0 HE ARG A 82 13.902 16.678 -16.694 1.00 1.10 H new ATOM 0 HH11 ARG A 82 16.415 18.567 -18.303 1.00 35.31 H new ATOM 0 HH12 ARG A 82 15.258 19.560 -19.195 1.00 35.31 H new ATOM 0 HH21 ARG A 82 12.422 17.957 -17.846 1.00 63.15 H new ATOM 0 HH22 ARG A 82 13.007 19.217 -18.938 1.00 63.15 H new ATOM 1296 N LYS A 83 15.624 15.907 -11.296 1.00 33.52 N ATOM 1297 CA LYS A 83 15.944 16.552 -10.028 1.00 70.21 C ATOM 1298 C LYS A 83 15.948 15.539 -8.888 1.00 20.33 C ATOM 1299 O LYS A 83 16.814 15.576 -8.014 1.00 53.14 O ATOM 1300 CB LYS A 83 14.938 17.666 -9.731 1.00 0.11 C ATOM 1301 CG LYS A 83 15.521 18.813 -8.924 1.00 25.24 C ATOM 1302 CD LYS A 83 14.717 20.089 -9.105 1.00 73.23 C ATOM 1303 CE LYS A 83 13.574 20.174 -8.105 1.00 40.31 C ATOM 1304 NZ LYS A 83 13.131 21.579 -7.888 1.00 53.32 N ATOM 0 H LYS A 83 14.626 15.854 -11.502 1.00 33.52 H new ATOM 0 HA LYS A 83 16.941 16.984 -10.110 1.00 70.21 H new ATOM 0 HB2 LYS A 83 14.551 18.055 -10.673 1.00 0.11 H new ATOM 0 HB3 LYS A 83 14.092 17.245 -9.189 1.00 0.11 H new ATOM 0 HG2 LYS A 83 15.542 18.542 -7.868 1.00 25.24 H new ATOM 0 HG3 LYS A 83 16.553 18.986 -9.229 1.00 25.24 H new ATOM 0 HD2 LYS A 83 15.371 20.953 -8.986 1.00 73.23 H new ATOM 0 HD3 LYS A 83 14.319 20.129 -10.119 1.00 73.23 H new ATOM 0 HE2 LYS A 83 12.733 19.579 -8.463 1.00 40.31 H new ATOM 0 HE3 LYS A 83 13.889 19.742 -7.155 1.00 40.31 H new ATOM 0 HZ1 LYS A 83 12.351 21.595 -7.200 1.00 53.32 H new ATOM 0 HZ2 LYS A 83 13.926 22.141 -7.523 1.00 53.32 H new ATOM 0 HZ3 LYS A 83 12.806 21.984 -8.789 1.00 53.32 H new ATOM 1318 N GLY A 84 14.975 14.633 -8.903 1.00 72.22 N ATOM 1319 CA GLY A 84 14.886 13.622 -7.866 1.00 30.30 C ATOM 1320 C GLY A 84 14.392 12.290 -8.395 1.00 53.12 C ATOM 1321 O GLY A 84 13.928 11.444 -7.630 1.00 41.25 O ATOM 0 H GLY A 84 14.247 14.581 -9.615 1.00 72.22 H new ATOM 0 HA2 GLY A 84 15.867 13.487 -7.410 1.00 30.30 H new ATOM 0 HA3 GLY A 84 14.214 13.969 -7.081 1.00 30.30 H new TER 1325 GLY A 84