USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 15 ASN :FLIP amide:sc= 0.793 F(o=-0.18,f=0.79) USER MOD Single : A 18 CYS SG : rot -88:sc= -6.04! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 25 MET CE :methyl 161:sc= -2.29 (180deg=-3.82!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -101:sc= 0.0539 USER MOD Single : A 30 CYS SG : rot 180:sc= 0.00267 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.017) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.3!) USER MOD Single : A 50 THR OG1 : rot -15:sc= 0.867 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 59 CYS SG : rot 28:sc= 1.03 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.0373 (180deg=-0.206) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -34:sc= 1.42 USER MOD Single : A 83 ASN :FLIP amide:sc= 0.804 F(o=-0.13,f=0.8) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= -0.0205 (180deg=-0.116) USER MOD Single : A 85 THR OG1 : rot 45:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -4.276 4.657 4.772 1.00 0.92 N ATOM 2 CA ASN A 15 -5.243 3.881 5.589 1.00 0.85 C ATOM 3 C ASN A 15 -6.541 4.656 5.825 1.00 0.80 C ATOM 4 O ASN A 15 -7.565 4.059 6.158 1.00 0.75 O ATOM 5 CB ASN A 15 -4.628 3.499 6.943 1.00 0.93 C ATOM 6 CG ASN A 15 -4.318 4.706 7.815 1.00 1.63 C ATOM 7 OD1 ASN A 15 -4.371 4.524 9.125 1.00 2.49 O flip ATOM 8 ND2 ASN A 15 -4.025 5.791 7.313 1.00 1.95 N flip ATOM 0 HA ASN A 15 -5.479 2.978 5.026 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -5.314 2.840 7.475 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -3.711 2.935 6.773 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -3.995 5.892 6.298 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -3.812 6.589 7.912 1.00 1.95 H new ATOM 17 N ASP A 16 -6.512 5.976 5.637 1.00 0.85 N ATOM 18 CA ASP A 16 -7.644 6.829 6.007 1.00 0.87 C ATOM 19 C ASP A 16 -8.866 6.544 5.138 1.00 0.75 C ATOM 20 O ASP A 16 -9.990 6.472 5.633 1.00 0.74 O ATOM 21 CB ASP A 16 -7.261 8.305 5.888 1.00 1.00 C ATOM 22 CG ASP A 16 -8.275 9.226 6.543 1.00 1.63 C ATOM 23 OD1 ASP A 16 -8.136 9.496 7.756 1.00 1.81 O ATOM 24 OD2 ASP A 16 -9.205 9.691 5.851 1.00 2.46 O ATOM 0 H ASP A 16 -5.721 6.477 5.232 1.00 0.85 H new ATOM 0 HA ASP A 16 -7.900 6.603 7.042 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -6.284 8.461 6.346 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -7.164 8.568 4.835 1.00 1.00 H new ATOM 29 N ILE A 17 -8.635 6.359 3.847 1.00 0.70 N ATOM 30 CA ILE A 17 -9.719 6.079 2.914 1.00 0.64 C ATOM 31 C ILE A 17 -10.302 4.689 3.161 1.00 0.57 C ATOM 32 O ILE A 17 -11.519 4.506 3.168 1.00 0.57 O ATOM 33 CB ILE A 17 -9.268 6.209 1.437 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.000 7.675 1.092 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.318 5.637 0.491 1.00 0.65 C ATOM 36 CD1 ILE A 17 -7.741 8.238 1.705 1.00 0.80 C ATOM 0 H ILE A 17 -7.709 6.397 3.421 1.00 0.70 H new ATOM 0 HA ILE A 17 -10.491 6.828 3.093 1.00 0.64 H new ATOM 0 HB ILE A 17 -8.348 5.638 1.315 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -8.939 7.776 0.008 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -9.849 8.274 1.420 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -9.976 5.741 -0.539 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -10.475 4.582 0.716 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.256 6.178 0.618 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -7.628 9.281 1.410 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -7.805 8.173 2.791 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -6.880 7.667 1.357 1.00 0.80 H new ATOM 48 N CYS A 18 -9.422 3.721 3.389 1.00 0.55 N ATOM 49 CA CYS A 18 -9.844 2.353 3.679 1.00 0.51 C ATOM 50 C CYS A 18 -10.699 2.328 4.940 1.00 0.53 C ATOM 51 O CYS A 18 -11.693 1.609 5.030 1.00 0.51 O ATOM 52 CB CYS A 18 -8.627 1.444 3.853 1.00 0.52 C ATOM 53 SG CYS A 18 -9.032 -0.268 4.265 1.00 1.35 S ATOM 0 H CYS A 18 -8.411 3.857 3.379 1.00 0.55 H new ATOM 0 HA CYS A 18 -10.435 1.985 2.840 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.044 1.456 2.932 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -7.991 1.854 4.638 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.142 -0.390 5.555 1.00 1.35 H new ATOM 59 N LEU A 19 -10.296 3.143 5.898 1.00 0.58 N ATOM 60 CA LEU A 19 -11.005 3.285 7.157 1.00 0.63 C ATOM 61 C LEU A 19 -12.395 3.855 6.920 1.00 0.63 C ATOM 62 O LEU A 19 -13.387 3.391 7.486 1.00 0.63 O ATOM 63 CB LEU A 19 -10.218 4.230 8.049 1.00 0.72 C ATOM 64 CG LEU A 19 -10.691 4.333 9.499 1.00 0.83 C ATOM 65 CD1 LEU A 19 -10.476 3.018 10.230 1.00 1.14 C ATOM 66 CD2 LEU A 19 -9.965 5.466 10.209 1.00 1.16 C ATOM 0 H LEU A 19 -9.464 3.728 5.824 1.00 0.58 H new ATOM 0 HA LEU A 19 -11.105 2.308 7.630 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -9.175 3.913 8.050 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -10.248 5.226 7.606 1.00 0.72 H new ATOM 0 HG LEU A 19 -11.759 4.549 9.500 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -10.820 3.114 11.260 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -11.039 2.229 9.732 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -9.415 2.767 10.223 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -10.310 5.529 11.241 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -8.892 5.275 10.197 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -10.172 6.407 9.699 1.00 1.16 H new ATOM 78 N ARG A 20 -12.439 4.866 6.067 1.00 0.64 N ATOM 79 CA ARG A 20 -13.666 5.598 5.760 1.00 0.65 C ATOM 80 C ARG A 20 -14.673 4.719 5.020 1.00 0.58 C ATOM 81 O ARG A 20 -15.883 4.869 5.185 1.00 0.60 O ATOM 82 CB ARG A 20 -13.315 6.810 4.901 1.00 0.69 C ATOM 83 CG ARG A 20 -14.385 7.887 4.869 1.00 0.82 C ATOM 84 CD ARG A 20 -13.957 9.048 3.986 1.00 1.37 C ATOM 85 NE ARG A 20 -12.622 9.541 4.339 1.00 2.06 N ATOM 86 CZ ARG A 20 -12.008 10.547 3.716 1.00 2.90 C ATOM 87 NH1 ARG A 20 -12.631 11.218 2.756 1.00 3.23 N ATOM 88 NH2 ARG A 20 -10.771 10.884 4.061 1.00 3.84 N ATOM 0 H ARG A 20 -11.621 5.207 5.563 1.00 0.64 H new ATOM 0 HA ARG A 20 -14.125 5.914 6.697 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -12.388 7.247 5.272 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -13.124 6.475 3.882 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -15.319 7.467 4.497 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -14.577 8.245 5.880 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -13.963 8.732 2.943 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -14.679 9.859 4.078 1.00 1.37 H new ATOM 0 HE ARG A 20 -12.132 9.086 5.109 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -13.583 10.965 2.492 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -12.158 11.987 2.282 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -10.291 10.373 4.802 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -10.300 11.654 3.585 1.00 3.84 H new ATOM 102 N LYS A 21 -14.163 3.805 4.201 1.00 0.51 N ATOM 103 CA LYS A 21 -15.001 2.884 3.433 1.00 0.46 C ATOM 104 C LYS A 21 -15.598 1.800 4.322 1.00 0.45 C ATOM 105 O LYS A 21 -16.238 0.863 3.838 1.00 0.44 O ATOM 106 CB LYS A 21 -14.180 2.253 2.315 1.00 0.41 C ATOM 107 CG LYS A 21 -13.903 3.211 1.174 1.00 0.52 C ATOM 108 CD LYS A 21 -15.190 3.629 0.484 1.00 0.72 C ATOM 109 CE LYS A 21 -15.692 2.559 -0.472 1.00 0.72 C ATOM 110 NZ LYS A 21 -16.838 3.031 -1.289 1.00 1.10 N ATOM 0 H LYS A 21 -13.162 3.680 4.050 1.00 0.51 H new ATOM 0 HA LYS A 21 -15.826 3.452 3.004 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.233 1.898 2.722 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.709 1.381 1.930 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.387 4.093 1.553 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.237 2.738 0.452 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -15.954 3.834 1.234 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -15.024 4.557 -0.064 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -14.880 2.253 -1.131 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -15.991 1.678 0.096 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.147 2.269 -1.926 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.624 3.299 -0.663 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.547 3.856 -1.852 1.00 1.10 H new ATOM 124 N ASN A 22 -15.377 1.952 5.622 1.00 0.48 N ATOM 125 CA ASN A 22 -15.868 1.021 6.631 1.00 0.50 C ATOM 126 C ASN A 22 -15.268 -0.367 6.416 1.00 0.42 C ATOM 127 O ASN A 22 -15.869 -1.389 6.747 1.00 0.49 O ATOM 128 CB ASN A 22 -17.405 0.974 6.623 1.00 0.59 C ATOM 129 CG ASN A 22 -17.986 0.203 7.798 1.00 1.08 C ATOM 130 OD1 ASN A 22 -17.388 0.137 8.876 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.161 -0.372 7.604 1.00 1.92 N ATOM 0 H ASN A 22 -14.847 2.733 6.009 1.00 0.48 H new ATOM 0 HA ASN A 22 -15.552 1.373 7.613 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -17.793 1.992 6.637 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -17.743 0.517 5.693 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.605 -0.893 8.360 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -19.623 -0.294 6.698 1.00 1.92 H new ATOM 138 N TRP A 23 -14.074 -0.389 5.849 1.00 0.35 N ATOM 139 CA TRP A 23 -13.326 -1.621 5.684 1.00 0.29 C ATOM 140 C TRP A 23 -12.437 -1.829 6.901 1.00 0.34 C ATOM 141 O TRP A 23 -12.209 -0.890 7.668 1.00 0.40 O ATOM 142 CB TRP A 23 -12.452 -1.560 4.426 1.00 0.26 C ATOM 143 CG TRP A 23 -13.201 -1.463 3.129 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.445 -1.949 2.836 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.714 -0.861 1.930 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.758 -1.673 1.521 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.706 -1.009 0.946 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.532 -0.204 1.599 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.540 -0.527 -0.353 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.369 0.273 0.318 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.366 0.108 -0.647 1.00 0.31 C ATOM 0 H TRP A 23 -13.600 0.441 5.493 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.028 -2.448 5.582 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -11.786 -0.701 4.507 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.822 -2.449 4.397 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.087 -2.471 3.530 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.630 -1.922 1.053 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -10.754 -0.071 2.336 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.311 -0.651 -1.099 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.455 0.784 0.054 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.206 0.490 -1.645 1.00 0.31 H new ATOM 162 N PRO A 24 -11.935 -3.051 7.115 1.00 0.34 N ATOM 163 CA PRO A 24 -10.958 -3.313 8.171 1.00 0.40 C ATOM 164 C PRO A 24 -9.621 -2.634 7.879 1.00 0.39 C ATOM 165 O PRO A 24 -9.512 -1.822 6.959 1.00 0.41 O ATOM 166 CB PRO A 24 -10.812 -4.833 8.168 1.00 0.43 C ATOM 167 CG PRO A 24 -11.259 -5.264 6.817 1.00 0.44 C ATOM 168 CD PRO A 24 -12.289 -4.267 6.369 1.00 0.34 C ATOM 0 HA PRO A 24 -11.277 -2.921 9.137 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.780 -5.130 8.355 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.421 -5.289 8.949 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.420 -5.293 6.122 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.681 -6.269 6.850 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.248 -4.104 5.292 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.300 -4.601 6.602 1.00 0.34 H new ATOM 176 N MET A 25 -8.601 -2.955 8.655 1.00 0.47 N ATOM 177 CA MET A 25 -7.298 -2.344 8.466 1.00 0.47 C ATOM 178 C MET A 25 -6.542 -3.048 7.346 1.00 0.38 C ATOM 179 O MET A 25 -6.468 -4.278 7.316 1.00 0.44 O ATOM 180 CB MET A 25 -6.501 -2.393 9.767 1.00 0.61 C ATOM 181 CG MET A 25 -7.184 -1.679 10.925 1.00 0.70 C ATOM 182 SD MET A 25 -6.781 0.083 11.046 1.00 0.90 S ATOM 183 CE MET A 25 -7.497 0.757 9.547 1.00 1.00 C ATOM 0 H MET A 25 -8.649 -3.631 9.417 1.00 0.47 H new ATOM 0 HA MET A 25 -7.436 -1.300 8.184 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.332 -3.434 10.041 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.522 -1.944 9.601 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.263 -1.788 10.819 1.00 0.70 H new ATOM 0 HG3 MET A 25 -6.904 -2.170 11.857 1.00 0.70 H new ATOM 0 HE1 MET A 25 -7.620 1.835 9.655 1.00 1.00 H new ATOM 0 HE2 MET A 25 -6.838 0.550 8.704 1.00 1.00 H new ATOM 0 HE3 MET A 25 -8.469 0.297 9.369 1.00 1.00 H new ATOM 193 N PRO A 26 -5.985 -2.276 6.397 1.00 0.32 N ATOM 194 CA PRO A 26 -5.256 -2.830 5.258 1.00 0.25 C ATOM 195 C PRO A 26 -3.945 -3.481 5.676 1.00 0.23 C ATOM 196 O PRO A 26 -3.479 -3.312 6.803 1.00 0.27 O ATOM 197 CB PRO A 26 -4.958 -1.622 4.368 1.00 0.30 C ATOM 198 CG PRO A 26 -5.756 -0.490 4.922 1.00 0.46 C ATOM 199 CD PRO A 26 -6.010 -0.807 6.365 1.00 0.44 C ATOM 0 HA PRO A 26 -5.840 -3.606 4.763 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -3.894 -1.387 4.374 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.234 -1.823 3.333 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.214 0.451 4.822 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.695 -0.376 4.380 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.245 -0.377 7.012 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -6.969 -0.413 6.701 1.00 0.44 H new ATOM 207 N SER A 27 -3.355 -4.212 4.754 1.00 0.20 N ATOM 208 CA SER A 27 -2.083 -4.864 4.995 1.00 0.20 C ATOM 209 C SER A 27 -0.941 -3.930 4.629 1.00 0.17 C ATOM 210 O SER A 27 -0.989 -3.260 3.596 1.00 0.17 O ATOM 211 CB SER A 27 -1.997 -6.149 4.180 1.00 0.25 C ATOM 212 OG SER A 27 -0.832 -6.892 4.491 1.00 0.30 O ATOM 0 H SER A 27 -3.739 -4.371 3.823 1.00 0.20 H new ATOM 0 HA SER A 27 -2.005 -5.113 6.053 1.00 0.20 H new ATOM 0 HB2 SER A 27 -2.879 -6.760 4.370 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.001 -5.906 3.117 1.00 0.25 H new ATOM 0 HG SER A 27 -0.812 -7.710 3.951 1.00 0.30 H new ATOM 218 N TYR A 28 0.083 -3.899 5.468 1.00 0.17 N ATOM 219 CA TYR A 28 1.220 -3.013 5.261 1.00 0.17 C ATOM 220 C TYR A 28 2.496 -3.688 5.766 1.00 0.20 C ATOM 221 O TYR A 28 2.689 -3.822 6.976 1.00 0.25 O ATOM 222 CB TYR A 28 1.035 -1.682 6.007 1.00 0.20 C ATOM 223 CG TYR A 28 -0.028 -0.758 5.438 1.00 0.19 C ATOM 224 CD1 TYR A 28 0.272 0.138 4.418 1.00 0.22 C ATOM 225 CD2 TYR A 28 -1.324 -0.765 5.939 1.00 0.20 C ATOM 226 CE1 TYR A 28 -0.683 0.998 3.914 1.00 0.25 C ATOM 227 CE2 TYR A 28 -2.287 0.091 5.436 1.00 0.23 C ATOM 228 CZ TYR A 28 -1.962 0.971 4.425 1.00 0.25 C ATOM 229 OH TYR A 28 -2.922 1.825 3.922 1.00 0.30 O ATOM 0 H TYR A 28 0.150 -4.480 6.303 1.00 0.17 H new ATOM 0 HA TYR A 28 1.294 -2.808 4.193 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.785 -1.899 7.046 1.00 0.20 H new ATOM 0 HB3 TYR A 28 1.988 -1.152 6.012 1.00 0.20 H new ATOM 0 HD1 TYR A 28 1.272 0.162 4.012 1.00 0.22 H new ATOM 0 HD2 TYR A 28 -1.583 -1.449 6.733 1.00 0.20 H new ATOM 0 HE1 TYR A 28 -0.429 1.688 3.123 1.00 0.25 H new ATOM 0 HE2 TYR A 28 -3.291 0.070 5.834 1.00 0.23 H new ATOM 0 HH TYR A 28 -3.034 2.586 4.530 1.00 0.30 H new ATOM 239 N ARG A 29 3.378 -4.089 4.852 1.00 0.23 N ATOM 240 CA ARG A 29 4.630 -4.735 5.225 1.00 0.33 C ATOM 241 C ARG A 29 5.631 -4.638 4.078 1.00 0.24 C ATOM 242 O ARG A 29 5.305 -4.960 2.934 1.00 0.22 O ATOM 243 CB ARG A 29 4.396 -6.205 5.589 1.00 0.50 C ATOM 244 CG ARG A 29 5.674 -6.941 5.953 1.00 1.34 C ATOM 245 CD ARG A 29 5.410 -8.386 6.339 1.00 1.55 C ATOM 246 NE ARG A 29 6.652 -9.101 6.628 1.00 2.13 N ATOM 247 CZ ARG A 29 6.711 -10.355 7.068 1.00 2.75 C ATOM 248 NH1 ARG A 29 5.598 -11.044 7.289 1.00 2.84 N ATOM 249 NH2 ARG A 29 7.890 -10.921 7.288 1.00 3.69 N ATOM 0 H ARG A 29 3.246 -3.977 3.847 1.00 0.23 H new ATOM 0 HA ARG A 29 5.033 -4.222 6.098 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.702 -6.259 6.427 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.920 -6.710 4.748 1.00 0.50 H new ATOM 0 HG2 ARG A 29 6.362 -6.912 5.108 1.00 1.34 H new ATOM 0 HG3 ARG A 29 6.164 -6.429 6.781 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.760 -8.417 7.213 1.00 1.55 H new ATOM 0 HD3 ARG A 29 4.880 -8.888 5.530 1.00 1.55 H new ATOM 0 HE ARG A 29 7.532 -8.605 6.483 1.00 2.13 H new ATOM 0 HH11 ARG A 29 4.689 -10.612 7.121 1.00 2.84 H new ATOM 0 HH12 ARG A 29 5.652 -12.005 7.626 1.00 2.84 H new ATOM 0 HH21 ARG A 29 8.748 -10.395 7.120 1.00 3.69 H new ATOM 0 HH22 ARG A 29 7.939 -11.882 7.625 1.00 3.69 H new ATOM 263 N CYS A 30 6.841 -4.193 4.391 1.00 0.31 N ATOM 264 CA CYS A 30 7.883 -4.016 3.390 1.00 0.31 C ATOM 265 C CYS A 30 8.232 -5.345 2.731 1.00 0.27 C ATOM 266 O CYS A 30 8.529 -6.330 3.406 1.00 0.30 O ATOM 267 CB CYS A 30 9.123 -3.391 4.031 1.00 0.45 C ATOM 268 SG CYS A 30 8.803 -1.808 4.844 1.00 1.53 S ATOM 0 H CYS A 30 7.126 -3.946 5.339 1.00 0.31 H new ATOM 0 HA CYS A 30 7.511 -3.345 2.616 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.534 -4.088 4.762 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.884 -3.248 3.264 1.00 0.45 H new ATOM 0 HG CYS A 30 9.907 -1.354 5.360 1.00 1.53 H new ATOM 274 N VAL A 31 8.175 -5.365 1.407 1.00 0.26 N ATOM 275 CA VAL A 31 8.398 -6.584 0.644 1.00 0.28 C ATOM 276 C VAL A 31 9.872 -6.764 0.306 1.00 0.27 C ATOM 277 O VAL A 31 10.403 -7.873 0.369 1.00 0.32 O ATOM 278 CB VAL A 31 7.582 -6.573 -0.668 1.00 0.34 C ATOM 279 CG1 VAL A 31 7.792 -7.858 -1.453 1.00 1.15 C ATOM 280 CG2 VAL A 31 6.106 -6.360 -0.375 1.00 1.15 C ATOM 0 H VAL A 31 7.975 -4.544 0.836 1.00 0.26 H new ATOM 0 HA VAL A 31 8.070 -7.415 1.269 1.00 0.28 H new ATOM 0 HB VAL A 31 7.937 -5.744 -1.280 1.00 0.34 H new ATOM 0 HG11 VAL A 31 7.206 -7.823 -2.371 1.00 1.15 H new ATOM 0 HG12 VAL A 31 8.848 -7.965 -1.700 1.00 1.15 H new ATOM 0 HG13 VAL A 31 7.472 -8.709 -0.851 1.00 1.15 H new ATOM 0 HG21 VAL A 31 5.546 -6.355 -1.310 1.00 1.15 H new ATOM 0 HG22 VAL A 31 5.741 -7.166 0.262 1.00 1.15 H new ATOM 0 HG23 VAL A 31 5.970 -5.406 0.134 1.00 1.15 H new ATOM 290 N LYS A 32 10.536 -5.671 -0.032 1.00 0.24 N ATOM 291 CA LYS A 32 11.903 -5.736 -0.518 1.00 0.26 C ATOM 292 C LYS A 32 12.779 -4.652 0.102 1.00 0.31 C ATOM 293 O LYS A 32 12.284 -3.734 0.760 1.00 0.31 O ATOM 294 CB LYS A 32 11.916 -5.618 -2.043 1.00 0.30 C ATOM 295 CG LYS A 32 11.956 -6.956 -2.761 1.00 0.61 C ATOM 296 CD LYS A 32 13.265 -7.682 -2.500 1.00 1.14 C ATOM 297 CE LYS A 32 13.335 -9.004 -3.241 1.00 1.37 C ATOM 298 NZ LYS A 32 14.623 -9.702 -2.998 1.00 2.25 N ATOM 0 H LYS A 32 10.150 -4.728 0.021 1.00 0.24 H new ATOM 0 HA LYS A 32 12.318 -6.699 -0.222 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.029 -5.071 -2.363 1.00 0.30 H new ATOM 0 HB3 LYS A 32 12.781 -5.028 -2.345 1.00 0.30 H new ATOM 0 HG2 LYS A 32 11.122 -7.574 -2.429 1.00 0.61 H new ATOM 0 HG3 LYS A 32 11.831 -6.800 -3.833 1.00 0.61 H new ATOM 0 HD2 LYS A 32 14.098 -7.050 -2.806 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.375 -7.859 -1.430 1.00 1.14 H new ATOM 0 HE2 LYS A 32 12.510 -9.642 -2.925 1.00 1.37 H new ATOM 0 HE3 LYS A 32 13.212 -8.829 -4.310 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 14.634 -10.601 -3.520 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.409 -9.103 -3.322 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 14.729 -9.891 -1.981 1.00 2.25 H new ATOM 312 N GLU A 33 14.078 -4.760 -0.156 1.00 0.52 N ATOM 313 CA GLU A 33 15.079 -3.875 0.423 1.00 0.65 C ATOM 314 C GLU A 33 16.245 -3.728 -0.551 1.00 0.98 C ATOM 315 O GLU A 33 16.421 -4.580 -1.425 1.00 1.39 O ATOM 316 CB GLU A 33 15.567 -4.429 1.765 1.00 1.01 C ATOM 317 CG GLU A 33 16.484 -3.489 2.526 1.00 1.34 C ATOM 318 CD GLU A 33 17.012 -4.108 3.798 1.00 1.80 C ATOM 319 OE1 GLU A 33 16.252 -4.180 4.785 1.00 1.99 O ATOM 320 OE2 GLU A 33 18.190 -4.528 3.815 1.00 2.60 O ATOM 0 H GLU A 33 14.467 -5.469 -0.777 1.00 0.52 H new ATOM 0 HA GLU A 33 14.636 -2.895 0.602 1.00 0.65 H new ATOM 0 HB2 GLU A 33 14.702 -4.659 2.387 1.00 1.01 H new ATOM 0 HB3 GLU A 33 16.092 -5.368 1.589 1.00 1.01 H new ATOM 0 HG2 GLU A 33 17.321 -3.206 1.888 1.00 1.34 H new ATOM 0 HG3 GLU A 33 15.943 -2.574 2.767 1.00 1.34 H new ATOM 327 N GLY A 34 17.026 -2.658 -0.421 1.00 1.02 N ATOM 328 CA GLY A 34 18.068 -2.387 -1.389 1.00 1.52 C ATOM 329 C GLY A 34 19.175 -3.425 -1.404 1.00 1.29 C ATOM 330 O GLY A 34 19.201 -4.303 -2.270 1.00 1.69 O ATOM 0 H GLY A 34 16.954 -1.978 0.336 1.00 1.02 H new ATOM 0 HA2 GLY A 34 17.622 -2.330 -2.382 1.00 1.52 H new ATOM 0 HA3 GLY A 34 18.502 -1.410 -1.178 1.00 1.52 H new ATOM 334 N GLY A 35 20.080 -3.328 -0.445 1.00 1.53 N ATOM 335 CA GLY A 35 21.279 -4.136 -0.458 1.00 1.64 C ATOM 336 C GLY A 35 22.406 -3.465 0.297 1.00 1.92 C ATOM 337 O GLY A 35 22.246 -3.101 1.463 1.00 2.13 O ATOM 0 H GLY A 35 20.004 -2.696 0.352 1.00 1.53 H new ATOM 0 HA2 GLY A 35 21.069 -5.108 -0.012 1.00 1.64 H new ATOM 0 HA3 GLY A 35 21.586 -4.317 -1.488 1.00 1.64 H new ATOM 341 N PRO A 36 23.563 -3.312 -0.352 1.00 2.06 N ATOM 342 CA PRO A 36 24.711 -2.571 0.185 1.00 2.40 C ATOM 343 C PRO A 36 24.430 -1.070 0.308 1.00 2.43 C ATOM 344 O PRO A 36 23.308 -0.630 0.080 1.00 3.00 O ATOM 345 CB PRO A 36 25.820 -2.826 -0.849 1.00 2.51 C ATOM 346 CG PRO A 36 25.349 -3.990 -1.653 1.00 2.43 C ATOM 347 CD PRO A 36 23.853 -3.901 -1.656 1.00 2.06 C ATOM 0 HA PRO A 36 24.968 -2.896 1.193 1.00 2.40 H new ATOM 0 HB2 PRO A 36 25.979 -1.951 -1.479 1.00 2.51 H new ATOM 0 HB3 PRO A 36 26.770 -3.044 -0.361 1.00 2.51 H new ATOM 0 HG2 PRO A 36 25.746 -3.951 -2.668 1.00 2.43 H new ATOM 0 HG3 PRO A 36 25.685 -4.930 -1.215 1.00 2.43 H new ATOM 0 HD2 PRO A 36 23.486 -3.278 -2.472 1.00 2.06 H new ATOM 0 HD3 PRO A 36 23.389 -4.881 -1.770 1.00 2.06 H new ATOM 355 N ALA A 37 25.450 -0.284 0.632 1.00 2.18 N ATOM 356 CA ALA A 37 25.265 1.145 0.897 1.00 2.20 C ATOM 357 C ALA A 37 24.618 1.879 -0.280 1.00 1.91 C ATOM 358 O ALA A 37 23.785 2.761 -0.083 1.00 1.86 O ATOM 359 CB ALA A 37 26.592 1.794 1.260 1.00 2.61 C ATOM 0 H ALA A 37 26.413 -0.608 0.718 1.00 2.18 H new ATOM 0 HA ALA A 37 24.581 1.227 1.742 1.00 2.20 H new ATOM 0 HB1 ALA A 37 26.437 2.855 1.454 1.00 2.61 H new ATOM 0 HB2 ALA A 37 26.998 1.318 2.152 1.00 2.61 H new ATOM 0 HB3 ALA A 37 27.293 1.675 0.434 1.00 2.61 H new ATOM 365 N HIS A 38 24.985 1.505 -1.503 1.00 1.80 N ATOM 366 CA HIS A 38 24.445 2.174 -2.692 1.00 1.61 C ATOM 367 C HIS A 38 22.990 1.799 -2.954 1.00 1.37 C ATOM 368 O HIS A 38 22.314 2.440 -3.755 1.00 1.39 O ATOM 369 CB HIS A 38 25.276 1.876 -3.944 1.00 1.69 C ATOM 370 CG HIS A 38 25.422 0.420 -4.282 1.00 1.73 C ATOM 371 ND1 HIS A 38 26.548 -0.315 -3.981 1.00 2.01 N ATOM 372 CD2 HIS A 38 24.583 -0.432 -4.912 1.00 1.66 C ATOM 373 CE1 HIS A 38 26.393 -1.553 -4.412 1.00 2.10 C ATOM 374 NE2 HIS A 38 25.210 -1.651 -4.979 1.00 1.91 N ATOM 0 H HIS A 38 25.645 0.753 -1.700 1.00 1.80 H new ATOM 0 HA HIS A 38 24.497 3.242 -2.479 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.821 2.386 -4.793 1.00 1.69 H new ATOM 0 HB3 HIS A 38 26.270 2.303 -3.811 1.00 1.69 H new ATOM 0 HD2 HIS A 38 23.600 -0.197 -5.293 1.00 1.66 H new ATOM 0 HE1 HIS A 38 27.115 -2.350 -4.315 1.00 2.10 H new ATOM 0 HE2 HIS A 38 24.822 -2.495 -5.400 1.00 1.91 H new ATOM 383 N ALA A 39 22.511 0.769 -2.287 1.00 1.26 N ATOM 384 CA ALA A 39 21.157 0.304 -2.499 1.00 1.12 C ATOM 385 C ALA A 39 20.421 0.228 -1.177 1.00 0.93 C ATOM 386 O ALA A 39 20.581 -0.722 -0.425 1.00 1.07 O ATOM 387 CB ALA A 39 21.167 -1.051 -3.187 1.00 1.28 C ATOM 0 H ALA A 39 23.039 0.239 -1.594 1.00 1.26 H new ATOM 0 HA ALA A 39 20.637 1.011 -3.145 1.00 1.12 H new ATOM 0 HB1 ALA A 39 20.142 -1.389 -3.340 1.00 1.28 H new ATOM 0 HB2 ALA A 39 21.669 -0.966 -4.151 1.00 1.28 H new ATOM 0 HB3 ALA A 39 21.697 -1.771 -2.564 1.00 1.28 H new ATOM 393 N LYS A 40 19.625 1.232 -0.882 1.00 0.78 N ATOM 394 CA LYS A 40 18.878 1.258 0.361 1.00 0.61 C ATOM 395 C LYS A 40 17.413 1.520 0.060 1.00 0.43 C ATOM 396 O LYS A 40 16.671 2.019 0.898 1.00 0.39 O ATOM 397 CB LYS A 40 19.416 2.297 1.326 1.00 0.71 C ATOM 398 CG LYS A 40 19.201 1.930 2.787 1.00 0.90 C ATOM 399 CD LYS A 40 20.028 0.720 3.187 1.00 0.86 C ATOM 400 CE LYS A 40 19.749 0.303 4.621 1.00 1.03 C ATOM 401 NZ LYS A 40 20.573 -0.864 5.029 1.00 1.93 N ATOM 0 H LYS A 40 19.477 2.042 -1.484 1.00 0.78 H new ATOM 0 HA LYS A 40 18.988 0.288 0.845 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.482 2.432 1.146 1.00 0.71 H new ATOM 0 HB3 LYS A 40 18.935 3.254 1.124 1.00 0.71 H new ATOM 0 HG2 LYS A 40 19.466 2.778 3.419 1.00 0.90 H new ATOM 0 HG3 LYS A 40 18.145 1.723 2.959 1.00 0.90 H new ATOM 0 HD2 LYS A 40 19.807 -0.110 2.516 1.00 0.86 H new ATOM 0 HD3 LYS A 40 21.088 0.949 3.073 1.00 0.86 H new ATOM 0 HE2 LYS A 40 19.951 1.141 5.288 1.00 1.03 H new ATOM 0 HE3 LYS A 40 18.693 0.057 4.728 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 20.353 -1.117 6.013 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 20.362 -1.672 4.408 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 21.581 -0.621 4.951 1.00 1.93 H new ATOM 415 N ARG A 41 17.016 1.249 -1.170 1.00 0.39 N ATOM 416 CA ARG A 41 15.650 1.525 -1.568 1.00 0.33 C ATOM 417 C ARG A 41 14.756 0.372 -1.154 1.00 0.28 C ATOM 418 O ARG A 41 15.059 -0.796 -1.396 1.00 0.36 O ATOM 419 CB ARG A 41 15.504 1.794 -3.072 1.00 0.39 C ATOM 420 CG ARG A 41 15.979 0.667 -3.979 1.00 1.16 C ATOM 421 CD ARG A 41 17.462 0.771 -4.298 1.00 1.48 C ATOM 422 NE ARG A 41 17.891 -0.277 -5.220 1.00 2.15 N ATOM 423 CZ ARG A 41 18.959 -0.188 -6.008 1.00 2.71 C ATOM 424 NH1 ARG A 41 19.731 0.895 -5.973 1.00 2.69 N ATOM 425 NH2 ARG A 41 19.254 -1.182 -6.833 1.00 3.64 N ATOM 0 H ARG A 41 17.607 0.846 -1.897 1.00 0.39 H new ATOM 0 HA ARG A 41 15.346 2.439 -1.058 1.00 0.33 H new ATOM 0 HB2 ARG A 41 14.455 1.996 -3.289 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.061 2.698 -3.319 1.00 0.39 H new ATOM 0 HG2 ARG A 41 15.779 -0.291 -3.500 1.00 1.16 H new ATOM 0 HG3 ARG A 41 15.408 0.685 -4.907 1.00 1.16 H new ATOM 0 HD2 ARG A 41 17.673 1.748 -4.734 1.00 1.48 H new ATOM 0 HD3 ARG A 41 18.038 0.702 -3.375 1.00 1.48 H new ATOM 0 HE ARG A 41 17.336 -1.132 -5.262 1.00 2.15 H new ATOM 0 HH11 ARG A 41 19.505 1.662 -5.340 1.00 2.69 H new ATOM 0 HH12 ARG A 41 20.549 0.958 -6.579 1.00 2.69 H new ATOM 0 HH21 ARG A 41 18.663 -2.013 -6.863 1.00 3.64 H new ATOM 0 HH22 ARG A 41 20.072 -1.117 -7.438 1.00 3.64 H new ATOM 439 N PHE A 42 13.654 0.721 -0.534 1.00 0.23 N ATOM 440 CA PHE A 42 12.735 -0.261 -0.008 1.00 0.24 C ATOM 441 C PHE A 42 11.472 -0.262 -0.836 1.00 0.19 C ATOM 442 O PHE A 42 10.981 0.791 -1.242 1.00 0.20 O ATOM 443 CB PHE A 42 12.394 0.030 1.458 1.00 0.32 C ATOM 444 CG PHE A 42 13.568 0.456 2.301 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.795 -0.187 2.208 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.439 1.511 3.186 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.866 0.218 2.985 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.505 1.918 3.965 1.00 0.37 C ATOM 449 CZ PHE A 42 15.718 1.271 3.865 1.00 0.46 C ATOM 0 H PHE A 42 13.370 1.688 -0.380 1.00 0.23 H new ATOM 0 HA PHE A 42 13.211 -1.240 -0.057 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.635 0.812 1.493 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.952 -0.863 1.899 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.915 -1.012 1.522 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.492 2.024 3.269 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.816 -0.289 2.903 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.388 2.743 4.652 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.552 1.588 4.474 1.00 0.46 H new ATOM 459 N THR A 43 10.960 -1.444 -1.079 1.00 0.17 N ATOM 460 CA THR A 43 9.806 -1.618 -1.925 1.00 0.17 C ATOM 461 C THR A 43 8.737 -2.350 -1.135 1.00 0.17 C ATOM 462 O THR A 43 8.991 -3.430 -0.599 1.00 0.24 O ATOM 463 CB THR A 43 10.180 -2.417 -3.189 1.00 0.20 C ATOM 464 OG1 THR A 43 11.297 -1.798 -3.845 1.00 0.26 O ATOM 465 CG2 THR A 43 9.006 -2.500 -4.149 1.00 0.25 C ATOM 0 H THR A 43 11.332 -2.313 -0.695 1.00 0.17 H new ATOM 0 HA THR A 43 9.431 -0.645 -2.243 1.00 0.17 H new ATOM 0 HB THR A 43 10.449 -3.429 -2.885 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.531 -2.311 -4.646 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.297 -3.069 -5.032 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.169 -2.996 -3.658 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.708 -1.495 -4.447 1.00 0.25 H new ATOM 473 N PHE A 44 7.560 -1.768 -1.027 1.00 0.14 N ATOM 474 CA PHE A 44 6.519 -2.319 -0.185 1.00 0.12 C ATOM 475 C PHE A 44 5.245 -2.512 -1.005 1.00 0.13 C ATOM 476 O PHE A 44 5.026 -1.799 -1.979 1.00 0.16 O ATOM 477 CB PHE A 44 6.289 -1.367 1.005 1.00 0.14 C ATOM 478 CG PHE A 44 4.864 -1.247 1.440 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.229 -2.299 2.063 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.154 -0.084 1.210 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.917 -2.198 2.447 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.836 0.021 1.597 1.00 0.17 C ATOM 483 CZ PHE A 44 2.218 -1.042 2.213 1.00 0.15 C ATOM 0 H PHE A 44 7.300 -0.910 -1.514 1.00 0.14 H new ATOM 0 HA PHE A 44 6.815 -3.294 0.202 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.885 -1.712 1.850 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.658 -0.377 0.738 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.771 -3.214 2.251 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.637 0.750 0.722 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.433 -3.031 2.935 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.290 0.935 1.417 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.183 -0.966 2.512 1.00 0.15 H new ATOM 493 N GLY A 45 4.417 -3.472 -0.615 1.00 0.13 N ATOM 494 CA GLY A 45 3.174 -3.717 -1.317 1.00 0.17 C ATOM 495 C GLY A 45 1.991 -3.693 -0.373 1.00 0.15 C ATOM 496 O GLY A 45 1.985 -4.410 0.630 1.00 0.15 O ATOM 0 H GLY A 45 4.586 -4.088 0.180 1.00 0.13 H new ATOM 0 HA2 GLY A 45 3.038 -2.963 -2.092 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.222 -4.684 -1.818 1.00 0.17 H new ATOM 500 N VAL A 46 0.984 -2.888 -0.691 1.00 0.15 N ATOM 501 CA VAL A 46 -0.171 -2.716 0.182 1.00 0.15 C ATOM 502 C VAL A 46 -1.396 -3.377 -0.438 1.00 0.14 C ATOM 503 O VAL A 46 -1.511 -3.451 -1.664 1.00 0.19 O ATOM 504 CB VAL A 46 -0.469 -1.212 0.428 1.00 0.23 C ATOM 505 CG1 VAL A 46 -0.738 -0.480 -0.875 1.00 0.80 C ATOM 506 CG2 VAL A 46 -1.636 -1.031 1.388 1.00 0.76 C ATOM 0 H VAL A 46 0.944 -2.342 -1.551 1.00 0.15 H new ATOM 0 HA VAL A 46 0.059 -3.186 1.138 1.00 0.15 H new ATOM 0 HB VAL A 46 0.420 -0.777 0.884 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -0.943 0.570 -0.667 1.00 0.80 H new ATOM 0 HG12 VAL A 46 0.135 -0.558 -1.523 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -1.600 -0.926 -1.372 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -1.820 0.032 1.540 1.00 0.76 H new ATOM 0 HG22 VAL A 46 -2.528 -1.497 0.969 1.00 0.76 H new ATOM 0 HG23 VAL A 46 -1.397 -1.498 2.343 1.00 0.76 H new ATOM 516 N ARG A 47 -2.305 -3.868 0.392 1.00 0.15 N ATOM 517 CA ARG A 47 -3.537 -4.454 -0.093 1.00 0.18 C ATOM 518 C ARG A 47 -4.657 -4.138 0.889 1.00 0.15 C ATOM 519 O ARG A 47 -4.412 -3.961 2.086 1.00 0.19 O ATOM 520 CB ARG A 47 -3.390 -5.971 -0.303 1.00 0.33 C ATOM 521 CG ARG A 47 -2.802 -6.722 0.880 1.00 0.66 C ATOM 522 CD ARG A 47 -2.523 -8.174 0.526 1.00 1.02 C ATOM 523 NE ARG A 47 -1.919 -8.905 1.640 1.00 1.43 N ATOM 524 CZ ARG A 47 -0.725 -9.499 1.582 1.00 1.85 C ATOM 525 NH1 ARG A 47 -0.013 -9.477 0.463 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.246 -10.126 2.646 1.00 2.62 N ATOM 0 H ARG A 47 -2.208 -3.870 1.407 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.780 -4.023 -1.064 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.371 -6.389 -0.530 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.760 -6.144 -1.175 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -1.878 -6.239 1.198 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.492 -6.676 1.722 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -3.454 -8.661 0.235 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -1.858 -8.215 -0.337 1.00 1.02 H new ATOM 0 HE ARG A 47 -2.442 -8.964 2.514 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -0.377 -9.003 -0.364 1.00 1.99 H new ATOM 0 HH12 ARG A 47 0.898 -9.934 0.429 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -0.789 -10.155 3.509 1.00 2.62 H new ATOM 0 HH22 ARG A 47 0.666 -10.580 2.603 1.00 2.62 H new ATOM 540 N VAL A 48 -5.869 -4.042 0.374 1.00 0.13 N ATOM 541 CA VAL A 48 -7.030 -3.674 1.179 1.00 0.13 C ATOM 542 C VAL A 48 -8.143 -4.710 1.040 1.00 0.12 C ATOM 543 O VAL A 48 -8.206 -5.420 0.038 1.00 0.13 O ATOM 544 CB VAL A 48 -7.549 -2.283 0.753 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.868 -1.952 1.416 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.527 -1.216 1.085 1.00 0.22 C ATOM 0 H VAL A 48 -6.081 -4.215 -0.609 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.723 -3.640 2.224 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.710 -2.309 -0.325 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.201 -0.966 1.092 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.613 -2.697 1.136 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.742 -1.954 2.499 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -6.906 -0.241 0.779 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.341 -1.212 2.159 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.597 -1.426 0.556 1.00 0.22 H new ATOM 556 N ASN A 49 -9.014 -4.797 2.042 1.00 0.13 N ATOM 557 CA ASN A 49 -10.133 -5.726 1.998 1.00 0.15 C ATOM 558 C ASN A 49 -11.385 -5.014 1.493 1.00 0.16 C ATOM 559 O ASN A 49 -12.215 -4.537 2.266 1.00 0.18 O ATOM 560 CB ASN A 49 -10.385 -6.345 3.373 1.00 0.20 C ATOM 561 CG ASN A 49 -11.475 -7.403 3.342 1.00 0.66 C ATOM 562 OD1 ASN A 49 -11.707 -8.051 2.322 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.142 -7.593 4.467 1.00 1.21 N ATOM 0 H ASN A 49 -8.964 -4.235 2.892 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.884 -6.532 1.308 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.461 -6.790 3.743 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.664 -5.560 4.076 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -12.879 -8.297 4.510 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -11.920 -7.035 5.292 1.00 1.21 H new ATOM 570 N THR A 50 -11.473 -4.944 0.182 1.00 0.17 N ATOM 571 CA THR A 50 -12.624 -4.327 -0.465 1.00 0.21 C ATOM 572 C THR A 50 -13.847 -5.203 -0.263 1.00 0.25 C ATOM 573 O THR A 50 -13.912 -6.310 -0.778 1.00 0.33 O ATOM 574 CB THR A 50 -12.408 -4.053 -1.966 1.00 0.27 C ATOM 575 OG1 THR A 50 -11.920 -5.227 -2.634 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.438 -2.902 -2.167 1.00 0.29 C ATOM 0 H THR A 50 -10.767 -5.304 -0.460 1.00 0.17 H new ATOM 0 HA THR A 50 -12.771 -3.354 0.004 1.00 0.21 H new ATOM 0 HB THR A 50 -13.371 -3.780 -2.398 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.601 -5.873 -1.969 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.299 -2.725 -3.234 1.00 0.29 H new ATOM 0 HG22 THR A 50 -11.838 -2.003 -1.699 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.479 -3.151 -1.713 1.00 0.29 H new ATOM 584 N SER A 51 -14.796 -4.700 0.513 1.00 0.25 N ATOM 585 CA SER A 51 -15.966 -5.470 0.939 1.00 0.30 C ATOM 586 C SER A 51 -16.689 -6.155 -0.228 1.00 0.33 C ATOM 587 O SER A 51 -17.388 -7.148 -0.026 1.00 0.42 O ATOM 588 CB SER A 51 -16.935 -4.555 1.694 1.00 0.35 C ATOM 589 OG SER A 51 -18.034 -5.280 2.217 1.00 1.32 O ATOM 0 H SER A 51 -14.781 -3.744 0.868 1.00 0.25 H new ATOM 0 HA SER A 51 -15.609 -6.264 1.595 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.407 -4.056 2.507 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.298 -3.776 1.024 1.00 0.35 H new ATOM 0 HG SER A 51 -18.632 -4.668 2.694 1.00 1.32 H new ATOM 595 N ASP A 52 -16.523 -5.629 -1.434 1.00 0.33 N ATOM 596 CA ASP A 52 -17.173 -6.196 -2.610 1.00 0.41 C ATOM 597 C ASP A 52 -16.480 -7.451 -3.131 1.00 0.31 C ATOM 598 O ASP A 52 -17.130 -8.318 -3.711 1.00 0.37 O ATOM 599 CB ASP A 52 -17.258 -5.176 -3.723 1.00 0.64 C ATOM 600 CG ASP A 52 -18.209 -4.045 -3.407 1.00 0.82 C ATOM 601 OD1 ASP A 52 -19.436 -4.259 -3.475 1.00 1.30 O ATOM 602 OD2 ASP A 52 -17.735 -2.934 -3.091 1.00 0.85 O ATOM 0 H ASP A 52 -15.944 -4.811 -1.625 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.174 -6.482 -2.288 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -16.265 -4.768 -3.913 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -17.580 -5.670 -4.639 1.00 0.64 H new ATOM 607 N ARG A 53 -15.172 -7.561 -2.938 1.00 0.28 N ATOM 608 CA ARG A 53 -14.420 -8.667 -3.537 1.00 0.28 C ATOM 609 C ARG A 53 -13.397 -9.254 -2.567 1.00 0.24 C ATOM 610 O ARG A 53 -13.175 -10.466 -2.549 1.00 0.29 O ATOM 611 CB ARG A 53 -13.723 -8.203 -4.819 1.00 0.42 C ATOM 612 CG ARG A 53 -14.687 -7.740 -5.898 1.00 1.14 C ATOM 613 CD ARG A 53 -13.953 -7.240 -7.126 1.00 1.45 C ATOM 614 NE ARG A 53 -14.869 -6.702 -8.131 1.00 2.15 N ATOM 615 CZ ARG A 53 -14.472 -6.091 -9.244 1.00 2.81 C ATOM 616 NH1 ARG A 53 -13.175 -5.964 -9.509 1.00 3.05 N ATOM 617 NH2 ARG A 53 -15.368 -5.612 -10.098 1.00 3.68 N ATOM 0 H ARG A 53 -14.614 -6.913 -2.382 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.135 -9.454 -3.778 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -13.041 -7.388 -4.578 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -13.117 -9.020 -5.210 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -15.344 -8.563 -6.177 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -15.321 -6.946 -5.504 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -13.242 -6.468 -6.834 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -13.376 -8.056 -7.561 1.00 1.45 H new ATOM 0 HE ARG A 53 -15.871 -6.801 -7.969 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -12.483 -6.335 -8.858 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -12.872 -5.495 -10.363 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -16.364 -5.712 -9.902 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -15.061 -5.144 -10.951 1.00 3.68 H new ATOM 631 N GLY A 54 -12.784 -8.400 -1.763 1.00 0.18 N ATOM 632 CA GLY A 54 -11.805 -8.856 -0.804 1.00 0.19 C ATOM 633 C GLY A 54 -10.456 -8.209 -0.998 1.00 0.17 C ATOM 634 O GLY A 54 -10.372 -7.046 -1.403 1.00 0.17 O ATOM 0 H GLY A 54 -12.949 -7.394 -1.759 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.163 -8.645 0.204 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.700 -9.938 -0.885 1.00 0.19 H new ATOM 638 N TRP A 55 -9.414 -8.963 -0.683 1.00 0.18 N ATOM 639 CA TRP A 55 -8.043 -8.503 -0.862 1.00 0.18 C ATOM 640 C TRP A 55 -7.811 -7.938 -2.258 1.00 0.19 C ATOM 641 O TRP A 55 -7.988 -8.626 -3.265 1.00 0.24 O ATOM 642 CB TRP A 55 -7.051 -9.634 -0.601 1.00 0.24 C ATOM 643 CG TRP A 55 -6.627 -9.757 0.831 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.547 -10.902 1.563 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.220 -8.696 1.705 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.100 -10.623 2.830 1.00 0.39 N ATOM 647 CE2 TRP A 55 -5.896 -9.275 2.942 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.094 -7.315 1.562 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.451 -8.516 4.023 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.657 -6.569 2.638 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.338 -7.169 3.850 1.00 0.27 C ATOM 0 H TRP A 55 -9.492 -9.905 -0.299 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.881 -7.705 -0.137 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.498 -10.576 -0.919 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.167 -9.477 -1.219 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.799 -11.887 1.199 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -5.945 -11.309 3.568 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.335 -6.836 0.624 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.204 -8.980 4.966 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.561 -5.498 2.536 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -4.994 -6.556 4.670 1.00 0.27 H new ATOM 662 N THR A 56 -7.429 -6.674 -2.298 1.00 0.18 N ATOM 663 CA THR A 56 -7.110 -6.004 -3.545 1.00 0.22 C ATOM 664 C THR A 56 -5.770 -6.476 -4.081 1.00 0.26 C ATOM 665 O THR A 56 -5.003 -7.134 -3.374 1.00 0.36 O ATOM 666 CB THR A 56 -7.049 -4.479 -3.353 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.058 -4.142 -2.372 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.396 -3.939 -2.917 1.00 0.24 C ATOM 0 H THR A 56 -7.332 -6.086 -1.471 1.00 0.18 H new ATOM 0 HA THR A 56 -7.900 -6.250 -4.255 1.00 0.22 H new ATOM 0 HB THR A 56 -6.781 -4.028 -4.308 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.027 -3.169 -2.259 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.330 -2.859 -2.787 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.143 -4.168 -3.677 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.685 -4.401 -1.973 1.00 0.24 H new ATOM 676 N ASP A 57 -5.492 -6.142 -5.331 1.00 0.30 N ATOM 677 CA ASP A 57 -4.195 -6.427 -5.915 1.00 0.34 C ATOM 678 C ASP A 57 -3.130 -5.662 -5.162 1.00 0.23 C ATOM 679 O ASP A 57 -3.257 -4.453 -4.948 1.00 0.35 O ATOM 680 CB ASP A 57 -4.156 -6.052 -7.395 1.00 0.49 C ATOM 681 CG ASP A 57 -5.152 -6.835 -8.222 1.00 0.93 C ATOM 682 OD1 ASP A 57 -4.890 -8.021 -8.508 1.00 1.84 O ATOM 683 OD2 ASP A 57 -6.207 -6.267 -8.585 1.00 0.98 O ATOM 0 H ASP A 57 -6.147 -5.674 -5.958 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.009 -7.498 -5.838 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -4.360 -4.986 -7.501 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -3.152 -6.225 -7.783 1.00 0.49 H new ATOM 688 N GLU A 58 -2.102 -6.376 -4.740 1.00 0.27 N ATOM 689 CA GLU A 58 -1.046 -5.796 -3.940 1.00 0.27 C ATOM 690 C GLU A 58 -0.346 -4.692 -4.705 1.00 0.23 C ATOM 691 O GLU A 58 0.297 -4.925 -5.730 1.00 0.28 O ATOM 692 CB GLU A 58 -0.061 -6.868 -3.506 1.00 0.42 C ATOM 693 CG GLU A 58 1.085 -6.354 -2.656 1.00 0.44 C ATOM 694 CD GLU A 58 2.046 -7.454 -2.266 1.00 0.67 C ATOM 695 OE1 GLU A 58 3.000 -7.715 -3.029 1.00 0.83 O ATOM 696 OE2 GLU A 58 1.862 -8.058 -1.191 1.00 1.00 O ATOM 0 H GLU A 58 -1.979 -7.368 -4.942 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.487 -5.358 -3.045 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.598 -7.634 -2.946 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.348 -7.350 -4.394 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.624 -5.581 -3.205 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.686 -5.887 -1.756 1.00 0.44 H new ATOM 703 N CYS A 59 -0.495 -3.493 -4.196 1.00 0.19 N ATOM 704 CA CYS A 59 0.027 -2.307 -4.845 1.00 0.20 C ATOM 705 C CYS A 59 1.433 -2.012 -4.353 1.00 0.17 C ATOM 706 O CYS A 59 1.625 -1.523 -3.238 1.00 0.17 O ATOM 707 CB CYS A 59 -0.895 -1.114 -4.586 1.00 0.27 C ATOM 708 SG CYS A 59 -2.607 -1.384 -5.111 1.00 0.36 S ATOM 0 H CYS A 59 -0.982 -3.308 -3.319 1.00 0.19 H new ATOM 0 HA CYS A 59 0.069 -2.485 -5.920 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.884 -0.883 -3.521 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.499 -0.241 -5.106 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.885 -2.652 -5.049 1.00 0.36 H new ATOM 714 N ILE A 60 2.410 -2.351 -5.176 1.00 0.18 N ATOM 715 CA ILE A 60 3.803 -2.106 -4.863 1.00 0.16 C ATOM 716 C ILE A 60 4.123 -0.626 -5.011 1.00 0.16 C ATOM 717 O ILE A 60 3.925 -0.038 -6.075 1.00 0.18 O ATOM 718 CB ILE A 60 4.728 -2.953 -5.777 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.888 -4.377 -5.234 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.093 -2.305 -5.938 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.588 -5.116 -5.027 1.00 0.74 C ATOM 0 H ILE A 60 2.258 -2.803 -6.078 1.00 0.18 H new ATOM 0 HA ILE A 60 3.981 -2.402 -3.829 1.00 0.16 H new ATOM 0 HB ILE A 60 4.252 -3.003 -6.756 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.510 -4.948 -5.923 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.422 -4.333 -4.285 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.716 -2.924 -6.584 1.00 0.27 H new ATOM 0 HG22 ILE A 60 5.977 -1.317 -6.384 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.567 -2.208 -4.961 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.794 -6.114 -4.641 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.970 -4.572 -4.313 1.00 0.74 H new ATOM 0 HD13 ILE A 60 3.060 -5.196 -5.977 1.00 0.74 H new ATOM 733 N GLY A 61 4.602 -0.033 -3.932 1.00 0.16 N ATOM 734 CA GLY A 61 4.959 1.368 -3.942 1.00 0.20 C ATOM 735 C GLY A 61 6.294 1.621 -4.600 1.00 0.21 C ATOM 736 O GLY A 61 6.908 0.712 -5.159 1.00 0.23 O ATOM 0 H GLY A 61 4.752 -0.503 -3.039 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.187 1.932 -4.465 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.986 1.740 -2.918 1.00 0.20 H new ATOM 740 N GLU A 62 6.750 2.853 -4.522 1.00 0.27 N ATOM 741 CA GLU A 62 7.985 3.250 -5.162 1.00 0.31 C ATOM 742 C GLU A 62 9.168 2.964 -4.249 1.00 0.25 C ATOM 743 O GLU A 62 9.089 3.185 -3.042 1.00 0.29 O ATOM 744 CB GLU A 62 7.922 4.735 -5.514 1.00 0.47 C ATOM 745 CG GLU A 62 6.802 5.064 -6.485 1.00 0.79 C ATOM 746 CD GLU A 62 6.730 6.535 -6.826 1.00 1.07 C ATOM 747 OE1 GLU A 62 7.720 7.075 -7.366 1.00 1.37 O ATOM 748 OE2 GLU A 62 5.687 7.163 -6.555 1.00 1.32 O ATOM 0 H GLU A 62 6.278 3.603 -4.017 1.00 0.27 H new ATOM 0 HA GLU A 62 8.118 2.675 -6.078 1.00 0.31 H new ATOM 0 HB2 GLU A 62 7.786 5.314 -4.601 1.00 0.47 H new ATOM 0 HB3 GLU A 62 8.874 5.041 -5.948 1.00 0.47 H new ATOM 0 HG2 GLU A 62 6.943 4.491 -7.401 1.00 0.79 H new ATOM 0 HG3 GLU A 62 5.851 4.749 -6.055 1.00 0.79 H new ATOM 755 N PRO A 63 10.265 2.432 -4.816 1.00 0.24 N ATOM 756 CA PRO A 63 11.495 2.152 -4.070 1.00 0.24 C ATOM 757 C PRO A 63 12.010 3.395 -3.351 1.00 0.21 C ATOM 758 O PRO A 63 12.577 4.303 -3.969 1.00 0.24 O ATOM 759 CB PRO A 63 12.488 1.692 -5.148 1.00 0.32 C ATOM 760 CG PRO A 63 11.868 2.065 -6.453 1.00 0.51 C ATOM 761 CD PRO A 63 10.387 2.051 -6.229 1.00 0.30 C ATOM 0 HA PRO A 63 11.342 1.407 -3.290 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.456 2.177 -5.021 1.00 0.32 H new ATOM 0 HB3 PRO A 63 12.660 0.617 -5.089 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.204 3.050 -6.776 1.00 0.51 H new ATOM 0 HG3 PRO A 63 12.151 1.360 -7.234 1.00 0.51 H new ATOM 0 HD2 PRO A 63 9.873 2.755 -6.883 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.959 1.067 -6.421 1.00 0.30 H new ATOM 769 N MET A 64 11.813 3.421 -2.042 1.00 0.19 N ATOM 770 CA MET A 64 12.090 4.597 -1.233 1.00 0.20 C ATOM 771 C MET A 64 13.246 4.347 -0.282 1.00 0.21 C ATOM 772 O MET A 64 13.420 3.239 0.209 1.00 0.26 O ATOM 773 CB MET A 64 10.856 4.970 -0.417 1.00 0.24 C ATOM 774 CG MET A 64 9.769 5.651 -1.221 1.00 0.32 C ATOM 775 SD MET A 64 10.322 7.209 -1.932 1.00 0.62 S ATOM 776 CE MET A 64 8.766 7.865 -2.515 1.00 0.67 C ATOM 0 H MET A 64 11.456 2.627 -1.511 1.00 0.19 H new ATOM 0 HA MET A 64 12.355 5.411 -1.908 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.447 4.067 0.037 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.157 5.628 0.398 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.440 4.986 -2.019 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.906 5.832 -0.581 1.00 0.32 H new ATOM 0 HE1 MET A 64 8.933 8.834 -2.985 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.331 7.179 -3.242 1.00 0.67 H new ATOM 0 HE3 MET A 64 8.083 7.983 -1.674 1.00 0.67 H new ATOM 786 N PRO A 65 14.034 5.386 0.012 1.00 0.23 N ATOM 787 CA PRO A 65 15.170 5.283 0.931 1.00 0.26 C ATOM 788 C PRO A 65 14.759 5.325 2.409 1.00 0.25 C ATOM 789 O PRO A 65 15.608 5.505 3.287 1.00 0.27 O ATOM 790 CB PRO A 65 16.000 6.512 0.576 1.00 0.31 C ATOM 791 CG PRO A 65 14.994 7.520 0.140 1.00 0.32 C ATOM 792 CD PRO A 65 13.904 6.744 -0.553 1.00 0.29 C ATOM 0 HA PRO A 65 15.694 4.334 0.823 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.573 6.866 1.433 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.715 6.294 -0.217 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.599 8.071 0.993 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.441 8.252 -0.533 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.920 7.169 -0.354 1.00 0.29 H new ATOM 0 HD3 PRO A 65 14.038 6.743 -1.635 1.00 0.29 H new ATOM 800 N SER A 66 13.465 5.174 2.687 1.00 0.23 N ATOM 801 CA SER A 66 12.965 5.157 4.053 1.00 0.24 C ATOM 802 C SER A 66 11.640 4.394 4.101 1.00 0.22 C ATOM 803 O SER A 66 10.797 4.542 3.212 1.00 0.20 O ATOM 804 CB SER A 66 12.779 6.591 4.564 1.00 0.29 C ATOM 805 OG SER A 66 12.261 6.608 5.884 1.00 1.30 O ATOM 0 H SER A 66 12.742 5.061 1.976 1.00 0.23 H new ATOM 0 HA SER A 66 13.687 4.655 4.697 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.735 7.114 4.540 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.104 7.131 3.900 1.00 0.29 H new ATOM 0 HG SER A 66 12.155 7.536 6.182 1.00 1.30 H new ATOM 811 N VAL A 67 11.469 3.581 5.140 1.00 0.25 N ATOM 812 CA VAL A 67 10.323 2.673 5.235 1.00 0.26 C ATOM 813 C VAL A 67 9.013 3.419 5.472 1.00 0.25 C ATOM 814 O VAL A 67 7.939 2.908 5.154 1.00 0.29 O ATOM 815 CB VAL A 67 10.510 1.620 6.351 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.703 0.730 6.052 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.667 2.280 7.713 1.00 1.08 C ATOM 0 H VAL A 67 12.110 3.530 5.932 1.00 0.25 H new ATOM 0 HA VAL A 67 10.270 2.166 4.271 1.00 0.26 H new ATOM 0 HB VAL A 67 9.612 1.002 6.379 1.00 0.37 H new ATOM 0 HG11 VAL A 67 11.818 -0.004 6.849 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.544 0.215 5.104 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.604 1.339 5.987 1.00 1.14 H new ATOM 0 HG21 VAL A 67 10.797 1.513 8.476 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.540 2.933 7.703 1.00 1.08 H new ATOM 0 HG23 VAL A 67 9.777 2.868 7.937 1.00 1.08 H new ATOM 827 N LYS A 68 9.102 4.624 6.019 1.00 0.29 N ATOM 828 CA LYS A 68 7.924 5.413 6.306 1.00 0.32 C ATOM 829 C LYS A 68 7.291 5.931 5.016 1.00 0.30 C ATOM 830 O LYS A 68 6.080 5.828 4.824 1.00 0.33 O ATOM 831 CB LYS A 68 8.293 6.572 7.236 1.00 0.41 C ATOM 832 CG LYS A 68 7.295 7.706 7.198 1.00 1.12 C ATOM 833 CD LYS A 68 7.650 8.815 8.174 1.00 1.56 C ATOM 834 CE LYS A 68 6.661 9.968 8.083 1.00 2.37 C ATOM 835 NZ LYS A 68 5.272 9.537 8.394 1.00 2.82 N ATOM 0 H LYS A 68 9.983 5.072 6.271 1.00 0.29 H new ATOM 0 HA LYS A 68 7.189 4.782 6.805 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.371 6.199 8.257 1.00 0.41 H new ATOM 0 HB3 LYS A 68 9.276 6.952 6.960 1.00 0.41 H new ATOM 0 HG2 LYS A 68 7.249 8.114 6.188 1.00 1.12 H new ATOM 0 HG3 LYS A 68 6.302 7.322 7.432 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.659 8.420 9.190 1.00 1.56 H new ATOM 0 HD3 LYS A 68 8.656 9.178 7.965 1.00 1.56 H new ATOM 0 HE2 LYS A 68 6.959 10.757 8.774 1.00 2.37 H new ATOM 0 HE3 LYS A 68 6.692 10.394 7.080 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 4.669 10.375 8.521 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 4.904 8.960 7.611 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 5.271 8.974 9.269 1.00 2.82 H new ATOM 849 N LYS A 69 8.122 6.448 4.117 1.00 0.29 N ATOM 850 CA LYS A 69 7.626 7.009 2.868 1.00 0.32 C ATOM 851 C LYS A 69 7.375 5.902 1.852 1.00 0.24 C ATOM 852 O LYS A 69 6.681 6.108 0.855 1.00 0.24 O ATOM 853 CB LYS A 69 8.570 8.076 2.309 1.00 0.47 C ATOM 854 CG LYS A 69 9.971 7.581 2.024 1.00 0.57 C ATOM 855 CD LYS A 69 10.909 8.734 1.692 1.00 0.45 C ATOM 856 CE LYS A 69 10.403 9.549 0.510 1.00 0.90 C ATOM 857 NZ LYS A 69 11.253 10.738 0.242 1.00 1.36 N ATOM 0 H LYS A 69 9.135 6.490 4.230 1.00 0.29 H new ATOM 0 HA LYS A 69 6.678 7.505 3.077 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.144 8.475 1.388 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.626 8.902 3.018 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.350 7.039 2.890 1.00 0.57 H new ATOM 0 HG3 LYS A 69 9.948 6.877 1.192 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.012 9.381 2.563 1.00 0.45 H new ATOM 0 HD3 LYS A 69 11.901 8.343 1.466 1.00 0.45 H new ATOM 0 HE2 LYS A 69 10.374 8.918 -0.378 1.00 0.90 H new ATOM 0 HE3 LYS A 69 9.380 9.872 0.705 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 10.870 11.262 -0.571 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 11.261 11.355 1.079 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 12.223 10.430 0.030 1.00 1.36 H new ATOM 871 N ALA A 70 7.953 4.728 2.111 1.00 0.21 N ATOM 872 CA ALA A 70 7.678 3.548 1.306 1.00 0.19 C ATOM 873 C ALA A 70 6.181 3.261 1.302 1.00 0.16 C ATOM 874 O ALA A 70 5.560 3.183 0.241 1.00 0.17 O ATOM 875 CB ALA A 70 8.450 2.349 1.836 1.00 0.21 C ATOM 0 H ALA A 70 8.614 4.574 2.873 1.00 0.21 H new ATOM 0 HA ALA A 70 8.003 3.736 0.283 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.232 1.475 1.222 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.519 2.560 1.801 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.153 2.151 2.866 1.00 0.21 H new ATOM 881 N LYS A 71 5.609 3.109 2.504 1.00 0.15 N ATOM 882 CA LYS A 71 4.169 2.938 2.677 1.00 0.17 C ATOM 883 C LYS A 71 3.384 4.002 1.919 1.00 0.16 C ATOM 884 O LYS A 71 2.475 3.682 1.155 1.00 0.17 O ATOM 885 CB LYS A 71 3.800 3.012 4.159 1.00 0.29 C ATOM 886 CG LYS A 71 4.263 1.826 4.989 1.00 0.92 C ATOM 887 CD LYS A 71 3.982 2.042 6.472 1.00 1.29 C ATOM 888 CE LYS A 71 2.507 2.325 6.737 1.00 1.99 C ATOM 889 NZ LYS A 71 2.235 2.576 8.178 1.00 2.42 N ATOM 0 H LYS A 71 6.134 3.102 3.379 1.00 0.15 H new ATOM 0 HA LYS A 71 3.909 1.958 2.276 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.227 3.922 4.581 1.00 0.29 H new ATOM 0 HB3 LYS A 71 2.717 3.098 4.246 1.00 0.29 H new ATOM 0 HG2 LYS A 71 3.757 0.922 4.649 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.331 1.669 4.838 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.288 1.158 7.032 1.00 1.29 H new ATOM 0 HD3 LYS A 71 4.583 2.875 6.838 1.00 1.29 H new ATOM 0 HE2 LYS A 71 2.194 3.191 6.153 1.00 1.99 H new ATOM 0 HE3 LYS A 71 1.909 1.479 6.398 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 1.221 2.764 8.312 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 2.509 1.741 8.734 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 2.785 3.399 8.497 1.00 2.42 H new ATOM 903 N ASP A 72 3.746 5.261 2.144 1.00 0.19 N ATOM 904 CA ASP A 72 3.049 6.395 1.537 1.00 0.24 C ATOM 905 C ASP A 72 2.915 6.264 0.028 1.00 0.22 C ATOM 906 O ASP A 72 1.830 6.459 -0.512 1.00 0.23 O ATOM 907 CB ASP A 72 3.744 7.714 1.879 1.00 0.32 C ATOM 908 CG ASP A 72 3.256 8.303 3.186 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.226 9.003 3.181 1.00 0.99 O ATOM 910 OD2 ASP A 72 3.905 8.065 4.232 1.00 2.01 O ATOM 0 H ASP A 72 4.525 5.525 2.747 1.00 0.19 H new ATOM 0 HA ASP A 72 2.044 6.394 1.959 1.00 0.24 H new ATOM 0 HB2 ASP A 72 4.820 7.550 1.937 1.00 0.32 H new ATOM 0 HB3 ASP A 72 3.574 8.430 1.075 1.00 0.32 H new ATOM 915 N SER A 73 4.001 5.924 -0.655 1.00 0.21 N ATOM 916 CA SER A 73 3.970 5.844 -2.112 1.00 0.24 C ATOM 917 C SER A 73 2.993 4.765 -2.588 1.00 0.20 C ATOM 918 O SER A 73 2.269 4.958 -3.566 1.00 0.24 O ATOM 919 CB SER A 73 5.375 5.582 -2.666 1.00 0.30 C ATOM 920 OG SER A 73 5.903 4.355 -2.193 1.00 1.14 O ATOM 0 H SER A 73 4.902 5.702 -0.232 1.00 0.21 H new ATOM 0 HA SER A 73 3.619 6.803 -2.493 1.00 0.24 H new ATOM 0 HB2 SER A 73 5.340 5.568 -3.755 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.038 6.398 -2.379 1.00 0.30 H new ATOM 0 HG SER A 73 5.589 4.195 -1.278 1.00 1.14 H new ATOM 926 N ALA A 74 2.961 3.644 -1.880 1.00 0.16 N ATOM 927 CA ALA A 74 2.050 2.562 -2.228 1.00 0.17 C ATOM 928 C ALA A 74 0.620 2.956 -1.890 1.00 0.16 C ATOM 929 O ALA A 74 -0.318 2.653 -2.627 1.00 0.17 O ATOM 930 CB ALA A 74 2.430 1.291 -1.493 1.00 0.18 C ATOM 0 H ALA A 74 3.550 3.461 -1.068 1.00 0.16 H new ATOM 0 HA ALA A 74 2.123 2.376 -3.300 1.00 0.17 H new ATOM 0 HB1 ALA A 74 1.739 0.493 -1.765 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.444 1.002 -1.767 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.380 1.464 -0.418 1.00 0.18 H new ATOM 936 N ALA A 75 0.469 3.637 -0.760 1.00 0.18 N ATOM 937 CA ALA A 75 -0.820 4.133 -0.312 1.00 0.21 C ATOM 938 C ALA A 75 -1.426 5.111 -1.319 1.00 0.21 C ATOM 939 O ALA A 75 -2.645 5.196 -1.444 1.00 0.24 O ATOM 940 CB ALA A 75 -0.681 4.788 1.054 1.00 0.26 C ATOM 0 H ALA A 75 1.240 3.859 -0.130 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.499 3.284 -0.231 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.653 5.157 1.381 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.310 4.057 1.772 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.020 5.620 0.989 1.00 0.26 H new ATOM 946 N VAL A 76 -0.580 5.849 -2.046 1.00 0.21 N ATOM 947 CA VAL A 76 -1.050 6.758 -3.091 1.00 0.25 C ATOM 948 C VAL A 76 -1.586 5.965 -4.282 1.00 0.20 C ATOM 949 O VAL A 76 -2.533 6.380 -4.950 1.00 0.21 O ATOM 950 CB VAL A 76 0.073 7.713 -3.564 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.416 8.625 -4.681 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.595 8.542 -2.402 1.00 0.83 C ATOM 0 H VAL A 76 0.433 5.833 -1.928 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.851 7.361 -2.664 1.00 0.25 H new ATOM 0 HB VAL A 76 0.887 7.102 -3.954 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.394 9.285 -4.993 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.739 8.021 -5.529 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -1.253 9.223 -4.322 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.384 9.207 -2.755 1.00 0.83 H new ATOM 0 HG22 VAL A 76 -0.219 9.134 -1.983 1.00 0.83 H new ATOM 0 HG23 VAL A 76 0.995 7.880 -1.634 1.00 0.83 H new ATOM 962 N LEU A 77 -0.992 4.804 -4.525 1.00 0.19 N ATOM 963 CA LEU A 77 -1.457 3.909 -5.573 1.00 0.21 C ATOM 964 C LEU A 77 -2.749 3.240 -5.124 1.00 0.22 C ATOM 965 O LEU A 77 -3.588 2.837 -5.927 1.00 0.28 O ATOM 966 CB LEU A 77 -0.389 2.860 -5.874 1.00 0.26 C ATOM 967 CG LEU A 77 0.942 3.416 -6.380 1.00 0.32 C ATOM 968 CD1 LEU A 77 1.956 2.301 -6.548 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.742 4.150 -7.693 1.00 0.39 C ATOM 0 H LEU A 77 -0.183 4.460 -4.007 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.647 4.478 -6.483 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.203 2.283 -4.968 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.782 2.167 -6.618 1.00 0.26 H new ATOM 0 HG LEU A 77 1.324 4.121 -5.641 1.00 0.32 H new ATOM 0 HD11 LEU A 77 2.897 2.716 -6.909 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.120 1.811 -5.588 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.581 1.573 -7.268 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.698 4.540 -8.041 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.339 3.462 -8.436 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.045 4.975 -7.546 1.00 0.39 H new ATOM 981 N LEU A 78 -2.879 3.115 -3.819 1.00 0.22 N ATOM 982 CA LEU A 78 -4.095 2.627 -3.197 1.00 0.27 C ATOM 983 C LEU A 78 -5.234 3.616 -3.434 1.00 0.27 C ATOM 984 O LEU A 78 -6.386 3.220 -3.587 1.00 0.29 O ATOM 985 CB LEU A 78 -3.836 2.450 -1.707 1.00 0.36 C ATOM 986 CG LEU A 78 -4.701 1.430 -0.982 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.499 0.040 -1.571 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.359 1.449 0.499 1.00 0.81 C ATOM 0 H LEU A 78 -2.141 3.350 -3.156 1.00 0.22 H new ATOM 0 HA LEU A 78 -4.384 1.670 -3.632 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.792 2.167 -1.574 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.969 3.416 -1.221 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.752 1.691 -1.108 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.126 -0.675 -1.039 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.773 0.049 -2.626 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.453 -0.249 -1.470 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.976 0.720 1.024 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.307 1.198 0.633 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.549 2.443 0.904 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.890 4.898 -3.476 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.866 5.955 -3.738 1.00 0.38 C ATOM 1002 C LEU A 79 -6.529 5.794 -5.103 1.00 0.34 C ATOM 1003 O LEU A 79 -7.731 6.022 -5.238 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.209 7.335 -3.644 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.408 8.082 -2.320 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -6.876 8.421 -2.111 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.881 7.263 -1.153 1.00 1.08 C ATOM 0 H LEU A 79 -3.938 5.234 -3.331 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.639 5.870 -2.974 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.139 7.219 -3.816 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.596 7.956 -4.451 1.00 0.48 H new ATOM 0 HG LEU A 79 -4.842 9.012 -2.368 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -6.996 8.951 -1.166 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -7.223 9.053 -2.928 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -7.462 7.502 -2.089 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.033 7.813 -0.224 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -5.415 6.314 -1.104 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -3.817 7.074 -1.293 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.761 5.384 -6.111 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.322 5.214 -7.448 1.00 0.33 C ATOM 1021 C GLU A 80 -7.041 3.878 -7.551 1.00 0.27 C ATOM 1022 O GLU A 80 -8.046 3.758 -8.241 1.00 0.30 O ATOM 1023 CB GLU A 80 -5.259 5.335 -8.540 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.045 4.474 -8.303 1.00 0.80 C ATOM 1025 CD GLU A 80 -3.039 4.559 -9.429 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -2.357 5.598 -9.548 1.00 1.86 O ATOM 1027 OE2 GLU A 80 -2.909 3.580 -10.191 1.00 2.13 O ATOM 0 H GLU A 80 -4.768 5.167 -6.030 1.00 0.30 H new ATOM 0 HA GLU A 80 -7.038 6.020 -7.606 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -5.703 5.065 -9.498 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -4.946 6.376 -8.616 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.567 4.776 -7.371 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -4.359 3.437 -8.179 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.527 2.884 -6.844 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.170 1.585 -6.744 1.00 0.24 C ATOM 1036 C LEU A 81 -8.556 1.754 -6.121 1.00 0.25 C ATOM 1037 O LEU A 81 -9.565 1.323 -6.677 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.286 0.669 -5.900 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.588 -0.829 -5.969 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -7.782 -1.191 -5.102 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -6.820 -1.267 -7.407 1.00 1.17 C ATOM 0 H LEU A 81 -5.653 2.956 -6.324 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.297 1.137 -7.730 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.250 0.822 -6.203 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.364 0.985 -4.860 1.00 0.31 H new ATOM 0 HG LEU A 81 -5.719 -1.361 -5.582 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -7.971 -2.262 -5.172 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -7.572 -0.927 -4.065 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -8.660 -0.644 -5.445 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -7.033 -2.336 -7.432 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -7.665 -0.719 -7.822 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -5.928 -1.061 -7.999 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.575 2.404 -4.964 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.805 2.765 -4.260 1.00 0.41 C ATOM 1055 C LEU A 82 -10.631 3.798 -5.031 1.00 0.46 C ATOM 1056 O LEU A 82 -11.724 4.174 -4.605 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.448 3.306 -2.874 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.332 2.268 -1.752 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -8.910 0.901 -2.275 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.348 2.755 -0.704 1.00 1.15 C ATOM 0 H LEU A 82 -7.727 2.700 -4.480 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.418 1.869 -4.169 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.500 3.838 -2.948 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.203 4.038 -2.587 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.319 2.151 -1.305 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -8.841 0.199 -1.444 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.648 0.542 -2.993 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -7.939 0.982 -2.763 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.268 2.015 0.092 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.370 2.901 -1.163 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -8.698 3.699 -0.287 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.110 4.261 -6.156 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.843 5.184 -7.013 1.00 0.55 C ATOM 1074 C ASN A 83 -11.438 4.400 -8.177 1.00 0.53 C ATOM 1075 O ASN A 83 -12.227 4.912 -8.971 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.909 6.289 -7.523 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.638 7.547 -7.970 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -9.974 8.685 -7.837 1.00 1.37 O flip ATOM 1079 ND2 ASN A 83 -11.779 7.505 -8.432 1.00 1.46 N flip ATOM 0 H ASN A 83 -9.182 4.014 -6.499 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.645 5.659 -6.448 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.204 6.549 -6.734 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.325 5.902 -8.358 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -12.261 6.610 -8.520 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -12.242 8.365 -8.726 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.068 3.129 -8.247 1.00 0.50 N ATOM 1087 CA LYS A 84 -11.531 2.242 -9.299 1.00 0.58 C ATOM 1088 C LYS A 84 -12.407 1.151 -8.704 1.00 1.18 C ATOM 1089 O LYS A 84 -12.471 0.026 -9.207 1.00 1.86 O ATOM 1090 CB LYS A 84 -10.335 1.631 -10.033 1.00 1.18 C ATOM 1091 CG LYS A 84 -9.460 2.665 -10.720 1.00 1.90 C ATOM 1092 CD LYS A 84 -8.070 2.118 -11.021 1.00 2.86 C ATOM 1093 CE LYS A 84 -7.161 3.178 -11.631 1.00 3.49 C ATOM 1094 NZ LYS A 84 -7.710 3.746 -12.891 1.00 4.17 N ATOM 0 H LYS A 84 -10.440 2.687 -7.576 1.00 0.50 H new ATOM 0 HA LYS A 84 -12.122 2.812 -10.016 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -9.730 1.068 -9.322 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -10.698 0.921 -10.776 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -9.934 2.984 -11.648 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -9.374 3.548 -10.086 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -7.622 1.741 -10.102 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -8.153 1.274 -11.705 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -7.011 3.981 -10.910 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -6.182 2.741 -11.830 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -6.991 4.346 -13.344 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -7.972 2.973 -13.535 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -8.552 4.318 -12.676 1.00 4.17 H new ATOM 1108 N THR A 85 -13.085 1.507 -7.633 1.00 1.78 N ATOM 1109 CA THR A 85 -13.930 0.576 -6.905 1.00 2.69 C ATOM 1110 C THR A 85 -15.311 1.183 -6.671 1.00 3.28 C ATOM 1111 O THR A 85 -16.189 1.017 -7.545 1.00 3.79 O ATOM 1112 CB THR A 85 -13.297 0.186 -5.550 1.00 3.20 C ATOM 1113 OG1 THR A 85 -12.941 1.367 -4.820 1.00 3.79 O ATOM 1114 CG2 THR A 85 -12.066 -0.685 -5.746 1.00 2.93 C ATOM 1115 OXT THR A 85 -15.508 1.849 -5.628 1.00 3.62 O ATOM 0 H THR A 85 -13.068 2.448 -7.241 1.00 1.78 H new ATOM 0 HA THR A 85 -14.029 -0.325 -7.511 1.00 2.69 H new ATOM 0 HB THR A 85 -14.034 -0.386 -4.986 1.00 3.20 H new ATOM 0 HG1 THR A 85 -13.678 2.011 -4.861 1.00 3.79 H new ATOM 0 HG21 THR A 85 -11.644 -0.942 -4.775 1.00 2.93 H new ATOM 0 HG22 THR A 85 -12.346 -1.597 -6.273 1.00 2.93 H new ATOM 0 HG23 THR A 85 -11.325 -0.141 -6.331 1.00 2.93 H new TER 1123 THR A 85