USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 25 MET CE :methyl 173:sc= -3.71 (180deg=-3.25) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -173:sc= -1.28 (180deg=-1.07) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0356) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 0.204 (180deg=0.102) USER MOD Single : A 26 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.0037) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 34 MET CE :methyl -138:sc= -7.58 (180deg=-8.97!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 172:sc= 1.3 USER MOD Single : A 51 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.027) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.9) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.407 -1.228 -0.873 1.00 43.24 N ATOM 19 CA LYS A 2 5.775 -1.681 -0.652 1.00 23.21 C ATOM 20 C LYS A 2 6.223 -2.624 -1.764 1.00 51.03 C ATOM 21 O LYS A 2 7.033 -3.524 -1.540 1.00 15.23 O ATOM 22 CB LYS A 2 5.888 -2.384 0.703 1.00 44.31 C ATOM 23 CG LYS A 2 4.771 -3.377 0.968 1.00 34.22 C ATOM 24 CD LYS A 2 4.884 -3.987 2.355 1.00 23.32 C ATOM 25 CE LYS A 2 4.144 -5.313 2.443 1.00 14.14 C ATOM 26 NZ LYS A 2 2.699 -5.164 2.116 1.00 53.25 N ATOM 0 HA LYS A 2 6.426 -0.807 -0.657 1.00 23.21 H new ATOM 0 HB2 LYS A 2 6.845 -2.904 0.754 1.00 44.31 H new ATOM 0 HB3 LYS A 2 5.890 -1.633 1.493 1.00 44.31 H new ATOM 0 HG2 LYS A 2 3.807 -2.878 0.867 1.00 34.22 H new ATOM 0 HG3 LYS A 2 4.801 -4.168 0.218 1.00 34.22 H new ATOM 0 HD2 LYS A 2 5.935 -4.138 2.602 1.00 23.32 H new ATOM 0 HD3 LYS A 2 4.480 -3.294 3.093 1.00 23.32 H new ATOM 0 HE2 LYS A 2 4.599 -6.029 1.759 1.00 14.14 H new ATOM 0 HE3 LYS A 2 4.249 -5.721 3.448 1.00 14.14 H new ATOM 0 HZ1 LYS A 2 2.207 -6.061 2.301 1.00 53.25 H new ATOM 0 HZ2 LYS A 2 2.285 -4.414 2.706 1.00 53.25 H new ATOM 0 HZ3 LYS A 2 2.594 -4.913 1.112 1.00 53.25 H new ATOM 40 N ARG A 3 5.692 -2.411 -2.964 1.00 11.22 N ATOM 41 CA ARG A 3 6.037 -3.242 -4.111 1.00 4.31 C ATOM 42 C ARG A 3 6.145 -2.400 -5.379 1.00 63.11 C ATOM 43 O ARG A 3 5.656 -1.271 -5.431 1.00 63.31 O ATOM 44 CB ARG A 3 4.992 -4.342 -4.304 1.00 24.24 C ATOM 45 CG ARG A 3 3.613 -3.816 -4.664 1.00 12.35 C ATOM 46 CD ARG A 3 2.684 -3.818 -3.459 1.00 71.45 C ATOM 47 NE ARG A 3 1.283 -3.955 -3.849 1.00 61.21 N ATOM 48 CZ ARG A 3 0.724 -5.112 -4.187 1.00 40.35 C ATOM 49 NH1 ARG A 3 1.443 -6.226 -4.183 1.00 50.35 N ATOM 50 NH2 ARG A 3 -0.557 -5.156 -4.530 1.00 51.53 N ATOM 0 H ARG A 3 5.021 -1.670 -3.167 1.00 11.22 H new ATOM 0 HA ARG A 3 7.006 -3.702 -3.917 1.00 4.31 H new ATOM 0 HB2 ARG A 3 5.330 -5.018 -5.089 1.00 24.24 H new ATOM 0 HB3 ARG A 3 4.920 -4.928 -3.388 1.00 24.24 H new ATOM 0 HG2 ARG A 3 3.700 -2.803 -5.056 1.00 12.35 H new ATOM 0 HG3 ARG A 3 3.184 -4.429 -5.457 1.00 12.35 H new ATOM 0 HD2 ARG A 3 2.957 -4.636 -2.792 1.00 71.45 H new ATOM 0 HD3 ARG A 3 2.815 -2.893 -2.898 1.00 71.45 H new ATOM 0 HE ARG A 3 0.702 -3.117 -3.863 1.00 61.21 H new ATOM 0 HH11 ARG A 3 2.428 -6.196 -3.920 1.00 50.35 H new ATOM 0 HH12 ARG A 3 1.011 -7.113 -4.443 1.00 50.35 H new ATOM 0 HH21 ARG A 3 -1.113 -4.301 -4.534 1.00 51.53 H new ATOM 0 HH22 ARG A 3 -0.985 -6.045 -4.789 1.00 51.53 H new ATOM 64 N PHE A 4 6.789 -2.957 -6.400 1.00 2.14 N ATOM 65 CA PHE A 4 6.963 -2.257 -7.667 1.00 72.43 C ATOM 66 C PHE A 4 6.677 -3.185 -8.844 1.00 73.42 C ATOM 67 O PHE A 4 7.359 -4.192 -9.035 1.00 44.01 O ATOM 68 CB PHE A 4 8.384 -1.700 -7.776 1.00 73.32 C ATOM 69 CG PHE A 4 8.430 -0.238 -8.117 1.00 71.34 C ATOM 70 CD1 PHE A 4 7.686 0.679 -7.393 1.00 52.43 C ATOM 71 CD2 PHE A 4 9.218 0.219 -9.162 1.00 34.54 C ATOM 72 CE1 PHE A 4 7.726 2.025 -7.706 1.00 11.12 C ATOM 73 CE2 PHE A 4 9.262 1.563 -9.478 1.00 41.25 C ATOM 74 CZ PHE A 4 8.516 2.468 -8.749 1.00 31.32 C ATOM 0 H PHE A 4 7.199 -3.891 -6.374 1.00 2.14 H new ATOM 0 HA PHE A 4 6.253 -1.430 -7.697 1.00 72.43 H new ATOM 0 HB2 PHE A 4 8.902 -1.861 -6.831 1.00 73.32 H new ATOM 0 HB3 PHE A 4 8.928 -2.260 -8.537 1.00 73.32 H new ATOM 0 HD1 PHE A 4 7.068 0.339 -6.575 1.00 52.43 H new ATOM 0 HD2 PHE A 4 9.804 -0.484 -9.736 1.00 34.54 H new ATOM 0 HE1 PHE A 4 7.140 2.730 -7.135 1.00 11.12 H new ATOM 0 HE2 PHE A 4 9.880 1.906 -10.295 1.00 41.25 H new ATOM 0 HZ PHE A 4 8.550 3.519 -8.994 1.00 31.32 H new ATOM 84 N ASP A 5 5.663 -2.839 -9.629 1.00 74.55 N ATOM 85 CA ASP A 5 5.285 -3.640 -10.788 1.00 63.33 C ATOM 86 C ASP A 5 6.038 -3.182 -12.034 1.00 20.43 C ATOM 87 O ASP A 5 5.677 -2.185 -12.659 1.00 15.41 O ATOM 88 CB ASP A 5 3.777 -3.551 -11.027 1.00 62.33 C ATOM 89 CG ASP A 5 3.090 -4.897 -10.899 1.00 44.24 C ATOM 90 OD1 ASP A 5 2.664 -5.242 -9.777 1.00 44.41 O ATOM 91 OD2 ASP A 5 2.978 -5.605 -11.922 1.00 1.41 O ATOM 0 H ASP A 5 5.088 -2.009 -9.484 1.00 74.55 H new ATOM 0 HA ASP A 5 5.552 -4.677 -10.584 1.00 63.33 H new ATOM 0 HB2 ASP A 5 3.339 -2.854 -10.313 1.00 62.33 H new ATOM 0 HB3 ASP A 5 3.593 -3.146 -12.022 1.00 62.33 H new ATOM 96 N LEU A 6 7.087 -3.917 -12.388 1.00 53.21 N ATOM 97 CA LEU A 6 7.892 -3.586 -13.559 1.00 10.13 C ATOM 98 C LEU A 6 7.447 -4.396 -14.772 1.00 42.12 C ATOM 99 O LEU A 6 8.087 -4.359 -15.824 1.00 32.34 O ATOM 100 CB LEU A 6 9.372 -3.844 -13.273 1.00 64.44 C ATOM 101 CG LEU A 6 10.077 -2.810 -12.395 1.00 21.34 C ATOM 102 CD1 LEU A 6 9.932 -1.418 -12.988 1.00 42.33 C ATOM 103 CD2 LEU A 6 9.523 -2.848 -10.978 1.00 24.43 C ATOM 0 H LEU A 6 7.400 -4.745 -11.881 1.00 53.21 H new ATOM 0 HA LEU A 6 7.750 -2.528 -13.781 1.00 10.13 H new ATOM 0 HB2 LEU A 6 9.464 -4.820 -12.796 1.00 64.44 H new ATOM 0 HB3 LEU A 6 9.900 -3.903 -14.225 1.00 64.44 H new ATOM 0 HG LEU A 6 11.138 -3.057 -12.357 1.00 21.34 H new ATOM 0 HD11 LEU A 6 10.440 -0.696 -12.349 1.00 42.33 H new ATOM 0 HD12 LEU A 6 10.376 -1.398 -13.983 1.00 42.33 H new ATOM 0 HD13 LEU A 6 8.875 -1.160 -13.058 1.00 42.33 H new ATOM 0 HD21 LEU A 6 10.036 -2.106 -10.367 1.00 24.43 H new ATOM 0 HD22 LEU A 6 8.456 -2.626 -10.998 1.00 24.43 H new ATOM 0 HD23 LEU A 6 9.680 -3.839 -10.553 1.00 24.43 H new ATOM 115 N ARG A 7 6.346 -5.125 -14.620 1.00 4.34 N ATOM 116 CA ARG A 7 5.815 -5.943 -15.703 1.00 45.23 C ATOM 117 C ARG A 7 5.699 -5.131 -16.990 1.00 74.22 C ATOM 118 O ARG A 7 6.313 -5.446 -18.010 1.00 34.42 O ATOM 119 CB ARG A 7 4.448 -6.510 -15.320 1.00 34.15 C ATOM 120 CG ARG A 7 4.411 -8.029 -15.266 1.00 42.40 C ATOM 121 CD ARG A 7 3.169 -8.531 -14.548 1.00 34.13 C ATOM 122 NE ARG A 7 2.251 -9.215 -15.455 1.00 13.31 N ATOM 123 CZ ARG A 7 0.963 -9.405 -15.191 1.00 72.23 C ATOM 124 NH1 ARG A 7 0.443 -8.965 -14.053 1.00 65.54 N ATOM 125 NH2 ARG A 7 0.191 -10.036 -16.067 1.00 63.42 N ATOM 0 H ARG A 7 5.804 -5.166 -13.757 1.00 4.34 H new ATOM 0 HA ARG A 7 6.507 -6.768 -15.875 1.00 45.23 H new ATOM 0 HB2 ARG A 7 4.160 -6.113 -14.347 1.00 34.15 H new ATOM 0 HB3 ARG A 7 3.706 -6.162 -16.039 1.00 34.15 H new ATOM 0 HG2 ARG A 7 4.434 -8.431 -16.279 1.00 42.40 H new ATOM 0 HG3 ARG A 7 5.301 -8.398 -14.756 1.00 42.40 H new ATOM 0 HD2 ARG A 7 3.463 -9.211 -13.749 1.00 34.13 H new ATOM 0 HD3 ARG A 7 2.657 -7.691 -14.079 1.00 34.13 H new ATOM 0 HE ARG A 7 2.619 -9.566 -16.339 1.00 13.31 H new ATOM 0 HH11 ARG A 7 1.032 -8.479 -13.377 1.00 65.54 H new ATOM 0 HH12 ARG A 7 -0.546 -9.113 -13.854 1.00 65.54 H new ATOM 0 HH21 ARG A 7 0.587 -10.376 -16.944 1.00 63.42 H new ATOM 0 HH22 ARG A 7 -0.798 -10.181 -15.863 1.00 63.42 H new ATOM 139 N PRO A 8 4.891 -4.061 -16.944 1.00 24.01 N ATOM 140 CA PRO A 8 4.675 -3.182 -18.097 1.00 70.31 C ATOM 141 C PRO A 8 5.911 -2.357 -18.437 1.00 64.35 C ATOM 142 O PRO A 8 5.959 -1.689 -19.471 1.00 42.10 O ATOM 143 CB PRO A 8 3.533 -2.271 -17.639 1.00 64.04 C ATOM 144 CG PRO A 8 3.628 -2.263 -16.153 1.00 3.24 C ATOM 145 CD PRO A 8 4.128 -3.626 -15.762 1.00 63.00 C ATOM 0 HA PRO A 8 4.452 -3.746 -19.003 1.00 70.31 H new ATOM 0 HB2 PRO A 8 3.640 -1.266 -18.048 1.00 64.04 H new ATOM 0 HB3 PRO A 8 2.567 -2.650 -17.972 1.00 64.04 H new ATOM 0 HG2 PRO A 8 4.309 -1.484 -15.810 1.00 3.24 H new ATOM 0 HG3 PRO A 8 2.657 -2.059 -15.701 1.00 3.24 H new ATOM 0 HD2 PRO A 8 4.756 -3.584 -14.872 1.00 63.00 H new ATOM 0 HD3 PRO A 8 3.306 -4.307 -15.541 1.00 63.00 H new ATOM 153 N LEU A 9 6.910 -2.409 -17.563 1.00 40.50 N ATOM 154 CA LEU A 9 8.148 -1.666 -17.771 1.00 43.14 C ATOM 155 C LEU A 9 9.123 -2.463 -18.633 1.00 11.24 C ATOM 156 O LEU A 9 9.127 -3.694 -18.608 1.00 4.34 O ATOM 157 CB LEU A 9 8.796 -1.328 -16.427 1.00 70.33 C ATOM 158 CG LEU A 9 8.676 0.126 -15.971 1.00 12.03 C ATOM 159 CD1 LEU A 9 7.750 0.234 -14.769 1.00 72.52 C ATOM 160 CD2 LEU A 9 10.048 0.697 -15.642 1.00 34.10 C ATOM 0 H LEU A 9 6.887 -2.958 -16.704 1.00 40.50 H new ATOM 0 HA LEU A 9 7.904 -0.740 -18.292 1.00 43.14 H new ATOM 0 HB2 LEU A 9 8.353 -1.965 -15.662 1.00 70.33 H new ATOM 0 HB3 LEU A 9 9.854 -1.585 -16.482 1.00 70.33 H new ATOM 0 HG LEU A 9 8.248 0.708 -16.787 1.00 12.03 H new ATOM 0 HD11 LEU A 9 7.677 1.276 -14.459 1.00 72.52 H new ATOM 0 HD12 LEU A 9 6.760 -0.135 -15.038 1.00 72.52 H new ATOM 0 HD13 LEU A 9 8.149 -0.362 -13.948 1.00 72.52 H new ATOM 0 HD21 LEU A 9 9.943 1.733 -15.319 1.00 34.10 H new ATOM 0 HD22 LEU A 9 10.503 0.112 -14.843 1.00 34.10 H new ATOM 0 HD23 LEU A 9 10.681 0.655 -16.528 1.00 34.10 H new ATOM 172 N LYS A 10 9.949 -1.753 -19.393 1.00 5.31 N ATOM 173 CA LYS A 10 10.932 -2.392 -20.260 1.00 20.22 C ATOM 174 C LYS A 10 12.217 -2.695 -19.495 1.00 73.23 C ATOM 175 O LYS A 10 12.460 -2.137 -18.426 1.00 32.43 O ATOM 176 CB LYS A 10 11.241 -1.497 -21.462 1.00 74.43 C ATOM 177 CG LYS A 10 12.105 -0.296 -21.121 1.00 22.23 C ATOM 178 CD LYS A 10 12.344 0.583 -22.337 1.00 23.30 C ATOM 179 CE LYS A 10 11.134 1.452 -22.643 1.00 63.11 C ATOM 180 NZ LYS A 10 11.170 1.982 -24.034 1.00 73.13 N ATOM 0 H LYS A 10 9.957 -0.734 -19.426 1.00 5.31 H new ATOM 0 HA LYS A 10 10.510 -3.333 -20.614 1.00 20.22 H new ATOM 0 HB2 LYS A 10 11.744 -2.090 -22.226 1.00 74.43 H new ATOM 0 HB3 LYS A 10 10.303 -1.148 -21.895 1.00 74.43 H new ATOM 0 HG2 LYS A 10 11.623 0.289 -20.337 1.00 22.23 H new ATOM 0 HG3 LYS A 10 13.061 -0.636 -20.723 1.00 22.23 H new ATOM 0 HD2 LYS A 10 13.214 1.217 -22.164 1.00 23.30 H new ATOM 0 HD3 LYS A 10 12.572 -0.042 -23.200 1.00 23.30 H new ATOM 0 HE2 LYS A 10 10.223 0.870 -22.499 1.00 63.11 H new ATOM 0 HE3 LYS A 10 11.096 2.283 -21.939 1.00 63.11 H new ATOM 0 HZ1 LYS A 10 10.329 2.569 -24.204 1.00 73.13 H new ATOM 0 HZ2 LYS A 10 12.026 2.558 -24.164 1.00 73.13 H new ATOM 0 HZ3 LYS A 10 11.181 1.189 -24.707 1.00 73.13 H new ATOM 194 N ALA A 11 13.036 -3.581 -20.052 1.00 22.10 N ATOM 195 CA ALA A 11 14.297 -3.955 -19.424 1.00 64.01 C ATOM 196 C ALA A 11 15.323 -2.833 -19.542 1.00 1.22 C ATOM 197 O ALA A 11 15.342 -2.097 -20.527 1.00 52.51 O ATOM 198 CB ALA A 11 14.838 -5.234 -20.046 1.00 72.11 C ATOM 0 H ALA A 11 12.849 -4.053 -20.937 1.00 22.10 H new ATOM 0 HA ALA A 11 14.109 -4.130 -18.365 1.00 64.01 H new ATOM 0 HB1 ALA A 11 15.780 -5.501 -19.567 1.00 72.11 H new ATOM 0 HB2 ALA A 11 14.118 -6.040 -19.905 1.00 72.11 H new ATOM 0 HB3 ALA A 11 15.004 -5.078 -21.112 1.00 72.11 H new ATOM 204 N GLY A 12 16.176 -2.708 -18.529 1.00 14.40 N ATOM 205 CA GLY A 12 17.192 -1.672 -18.539 1.00 1.13 C ATOM 206 C GLY A 12 16.861 -0.526 -17.604 1.00 14.50 C ATOM 207 O GLY A 12 17.719 -0.061 -16.853 1.00 54.50 O ATOM 0 H GLY A 12 16.181 -3.306 -17.702 1.00 14.40 H new ATOM 0 HA2 GLY A 12 18.151 -2.105 -18.253 1.00 1.13 H new ATOM 0 HA3 GLY A 12 17.305 -1.288 -19.553 1.00 1.13 H new ATOM 211 N ILE A 13 15.614 -0.068 -17.651 1.00 1.25 N ATOM 212 CA ILE A 13 15.172 1.032 -16.802 1.00 24.34 C ATOM 213 C ILE A 13 14.397 0.516 -15.594 1.00 10.51 C ATOM 214 O ILE A 13 14.359 1.161 -14.546 1.00 5.04 O ATOM 215 CB ILE A 13 14.288 2.024 -17.580 1.00 24.10 C ATOM 216 CG1 ILE A 13 14.931 2.367 -18.925 1.00 64.34 C ATOM 217 CG2 ILE A 13 14.059 3.285 -16.760 1.00 73.30 C ATOM 218 CD1 ILE A 13 14.108 3.320 -19.763 1.00 43.11 C ATOM 0 H ILE A 13 14.892 -0.441 -18.268 1.00 1.25 H new ATOM 0 HA ILE A 13 16.069 1.549 -16.462 1.00 24.34 H new ATOM 0 HB ILE A 13 13.322 1.556 -17.769 1.00 24.10 H new ATOM 0 HG12 ILE A 13 15.912 2.807 -18.748 1.00 64.34 H new ATOM 0 HG13 ILE A 13 15.091 1.447 -19.487 1.00 64.34 H new ATOM 0 HG21 ILE A 13 13.432 3.977 -17.323 1.00 73.30 H new ATOM 0 HG22 ILE A 13 13.563 3.026 -15.825 1.00 73.30 H new ATOM 0 HG23 ILE A 13 15.017 3.757 -16.544 1.00 73.30 H new ATOM 0 HD11 ILE A 13 14.625 3.518 -20.702 1.00 43.11 H new ATOM 0 HD12 ILE A 13 13.135 2.874 -19.971 1.00 43.11 H new ATOM 0 HD13 ILE A 13 13.970 4.255 -19.220 1.00 43.11 H new ATOM 230 N PHE A 14 13.780 -0.651 -15.748 1.00 3.44 N ATOM 231 CA PHE A 14 13.006 -1.254 -14.669 1.00 52.13 C ATOM 232 C PHE A 14 13.884 -1.513 -13.448 1.00 55.42 C ATOM 233 O PHE A 14 13.396 -1.558 -12.319 1.00 52.44 O ATOM 234 CB PHE A 14 12.369 -2.563 -15.141 1.00 24.14 C ATOM 235 CG PHE A 14 13.313 -3.732 -15.115 1.00 51.50 C ATOM 236 CD1 PHE A 14 14.492 -3.703 -15.842 1.00 72.04 C ATOM 237 CD2 PHE A 14 13.021 -4.859 -14.364 1.00 15.40 C ATOM 238 CE1 PHE A 14 15.362 -4.776 -15.821 1.00 25.42 C ATOM 239 CE2 PHE A 14 13.887 -5.935 -14.338 1.00 44.31 C ATOM 240 CZ PHE A 14 15.059 -5.894 -15.068 1.00 62.14 C ATOM 0 H PHE A 14 13.801 -1.198 -16.609 1.00 3.44 H new ATOM 0 HA PHE A 14 12.218 -0.556 -14.386 1.00 52.13 H new ATOM 0 HB2 PHE A 14 11.508 -2.787 -14.511 1.00 24.14 H new ATOM 0 HB3 PHE A 14 11.995 -2.431 -16.156 1.00 24.14 H new ATOM 0 HD1 PHE A 14 14.734 -2.831 -16.432 1.00 72.04 H new ATOM 0 HD2 PHE A 14 12.106 -4.897 -13.792 1.00 15.40 H new ATOM 0 HE1 PHE A 14 16.278 -4.741 -16.392 1.00 25.42 H new ATOM 0 HE2 PHE A 14 13.648 -6.807 -13.748 1.00 44.31 H new ATOM 0 HZ PHE A 14 15.737 -6.734 -15.050 1.00 62.14 H new ATOM 250 N GLU A 15 15.181 -1.682 -13.684 1.00 73.44 N ATOM 251 CA GLU A 15 16.126 -1.938 -12.604 1.00 61.11 C ATOM 252 C GLU A 15 16.573 -0.633 -11.952 1.00 0.11 C ATOM 253 O GLU A 15 16.931 -0.606 -10.774 1.00 41.13 O ATOM 254 CB GLU A 15 17.343 -2.700 -13.132 1.00 25.44 C ATOM 255 CG GLU A 15 18.470 -2.823 -12.120 1.00 4.42 C ATOM 256 CD GLU A 15 19.650 -1.928 -12.449 1.00 15.21 C ATOM 257 OE1 GLU A 15 20.220 -2.080 -13.549 1.00 60.14 O ATOM 258 OE2 GLU A 15 20.002 -1.076 -11.607 1.00 11.13 O ATOM 0 H GLU A 15 15.601 -1.646 -14.613 1.00 73.44 H new ATOM 0 HA GLU A 15 15.623 -2.546 -11.852 1.00 61.11 H new ATOM 0 HB2 GLU A 15 17.031 -3.698 -13.439 1.00 25.44 H new ATOM 0 HB3 GLU A 15 17.719 -2.196 -14.022 1.00 25.44 H new ATOM 0 HG2 GLU A 15 18.093 -2.571 -11.129 1.00 4.42 H new ATOM 0 HG3 GLU A 15 18.805 -3.859 -12.079 1.00 4.42 H new ATOM 265 N ARG A 16 16.550 0.447 -12.726 1.00 73.13 N ATOM 266 CA ARG A 16 16.954 1.755 -12.225 1.00 51.15 C ATOM 267 C ARG A 16 15.864 2.361 -11.346 1.00 41.11 C ATOM 268 O ARG A 16 16.135 2.836 -10.242 1.00 54.13 O ATOM 269 CB ARG A 16 17.266 2.696 -13.390 1.00 45.52 C ATOM 270 CG ARG A 16 18.753 2.931 -13.602 1.00 23.41 C ATOM 271 CD ARG A 16 19.090 3.074 -15.078 1.00 30.40 C ATOM 272 NE ARG A 16 20.064 4.135 -15.317 1.00 10.32 N ATOM 273 CZ ARG A 16 20.244 4.715 -16.498 1.00 63.03 C ATOM 274 NH1 ARG A 16 19.520 4.338 -17.543 1.00 21.11 N ATOM 275 NH2 ARG A 16 21.150 5.674 -16.637 1.00 4.45 N ATOM 0 H ARG A 16 16.256 0.442 -13.703 1.00 73.13 H new ATOM 0 HA ARG A 16 17.852 1.624 -11.622 1.00 51.15 H new ATOM 0 HB2 ARG A 16 16.838 2.284 -14.304 1.00 45.52 H new ATOM 0 HB3 ARG A 16 16.777 3.654 -13.213 1.00 45.52 H new ATOM 0 HG2 ARG A 16 19.060 3.831 -13.069 1.00 23.41 H new ATOM 0 HG3 ARG A 16 19.318 2.101 -13.178 1.00 23.41 H new ATOM 0 HD2 ARG A 16 19.484 2.129 -15.453 1.00 30.40 H new ATOM 0 HD3 ARG A 16 18.179 3.285 -15.639 1.00 30.40 H new ATOM 0 HE ARG A 16 20.638 4.448 -14.534 1.00 10.32 H new ATOM 0 HH11 ARG A 16 18.823 3.601 -17.441 1.00 21.11 H new ATOM 0 HH12 ARG A 16 19.660 4.785 -18.449 1.00 21.11 H new ATOM 0 HH21 ARG A 16 21.710 5.967 -15.836 1.00 4.45 H new ATOM 0 HH22 ARG A 16 21.287 6.118 -17.545 1.00 4.45 H new ATOM 289 N LEU A 17 14.632 2.342 -11.842 1.00 70.43 N ATOM 290 CA LEU A 17 13.500 2.889 -11.102 1.00 44.53 C ATOM 291 C LEU A 17 13.286 2.132 -9.796 1.00 31.11 C ATOM 292 O LEU A 17 12.679 2.651 -8.859 1.00 64.34 O ATOM 293 CB LEU A 17 12.231 2.829 -11.954 1.00 44.33 C ATOM 294 CG LEU A 17 11.607 4.175 -12.324 1.00 40.15 C ATOM 295 CD1 LEU A 17 11.251 4.961 -11.072 1.00 75.31 C ATOM 296 CD2 LEU A 17 12.552 4.976 -13.208 1.00 1.40 C ATOM 0 H LEU A 17 14.391 1.954 -12.754 1.00 70.43 H new ATOM 0 HA LEU A 17 13.722 3.930 -10.865 1.00 44.53 H new ATOM 0 HB2 LEU A 17 12.460 2.292 -12.874 1.00 44.33 H new ATOM 0 HB3 LEU A 17 11.486 2.240 -11.419 1.00 44.33 H new ATOM 0 HG LEU A 17 10.690 3.987 -12.883 1.00 40.15 H new ATOM 0 HD11 LEU A 17 10.808 5.916 -11.355 1.00 75.31 H new ATOM 0 HD12 LEU A 17 10.537 4.392 -10.476 1.00 75.31 H new ATOM 0 HD13 LEU A 17 12.152 5.139 -10.486 1.00 75.31 H new ATOM 0 HD21 LEU A 17 12.091 5.931 -13.461 1.00 1.40 H new ATOM 0 HD22 LEU A 17 13.486 5.154 -12.675 1.00 1.40 H new ATOM 0 HD23 LEU A 17 12.756 4.418 -14.122 1.00 1.40 H new ATOM 308 N GLU A 18 13.790 0.903 -9.741 1.00 32.12 N ATOM 309 CA GLU A 18 13.654 0.075 -8.548 1.00 51.20 C ATOM 310 C GLU A 18 14.238 0.780 -7.327 1.00 41.12 C ATOM 311 O GLU A 18 13.757 0.605 -6.208 1.00 51.42 O ATOM 312 CB GLU A 18 14.349 -1.272 -8.754 1.00 31.44 C ATOM 313 CG GLU A 18 13.477 -2.467 -8.404 1.00 12.41 C ATOM 314 CD GLU A 18 13.265 -3.399 -9.581 1.00 10.12 C ATOM 315 OE1 GLU A 18 14.270 -3.893 -10.134 1.00 10.30 O ATOM 316 OE2 GLU A 18 12.095 -3.634 -9.949 1.00 23.41 O ATOM 0 H GLU A 18 14.296 0.459 -10.508 1.00 32.12 H new ATOM 0 HA GLU A 18 12.592 -0.095 -8.374 1.00 51.20 H new ATOM 0 HB2 GLU A 18 14.663 -1.354 -9.795 1.00 31.44 H new ATOM 0 HB3 GLU A 18 15.253 -1.302 -8.145 1.00 31.44 H new ATOM 0 HG2 GLU A 18 13.937 -3.020 -7.585 1.00 12.41 H new ATOM 0 HG3 GLU A 18 12.510 -2.114 -8.046 1.00 12.41 H new ATOM 323 N GLU A 19 15.279 1.576 -7.552 1.00 54.33 N ATOM 324 CA GLU A 19 15.929 2.306 -6.471 1.00 2.25 C ATOM 325 C GLU A 19 15.148 3.569 -6.119 1.00 74.21 C ATOM 326 O GLU A 19 15.228 4.070 -4.997 1.00 0.31 O ATOM 327 CB GLU A 19 17.362 2.673 -6.862 1.00 62.34 C ATOM 328 CG GLU A 19 18.064 3.557 -5.846 1.00 10.25 C ATOM 329 CD GLU A 19 18.253 4.978 -6.340 1.00 14.20 C ATOM 330 OE1 GLU A 19 17.237 5.661 -6.586 1.00 14.34 O ATOM 331 OE2 GLU A 19 19.417 5.407 -6.481 1.00 21.11 O ATOM 0 H GLU A 19 15.690 1.731 -8.473 1.00 54.33 H new ATOM 0 HA GLU A 19 15.953 1.658 -5.595 1.00 2.25 H new ATOM 0 HB2 GLU A 19 17.939 1.758 -6.994 1.00 62.34 H new ATOM 0 HB3 GLU A 19 17.347 3.183 -7.825 1.00 62.34 H new ATOM 0 HG2 GLU A 19 17.486 3.572 -4.922 1.00 10.25 H new ATOM 0 HG3 GLU A 19 19.037 3.127 -5.607 1.00 10.25 H new ATOM 338 N LEU A 20 14.392 4.078 -7.086 1.00 3.11 N ATOM 339 CA LEU A 20 13.596 5.283 -6.880 1.00 72.22 C ATOM 340 C LEU A 20 12.557 5.068 -5.784 1.00 1.30 C ATOM 341 O LEU A 20 12.227 5.992 -5.039 1.00 22.51 O ATOM 342 CB LEU A 20 12.903 5.689 -8.182 1.00 62.54 C ATOM 343 CG LEU A 20 13.357 7.011 -8.800 1.00 43.43 C ATOM 344 CD1 LEU A 20 14.271 6.759 -9.990 1.00 11.33 C ATOM 345 CD2 LEU A 20 12.155 7.846 -9.217 1.00 10.25 C ATOM 0 H LEU A 20 14.314 3.675 -8.020 1.00 3.11 H new ATOM 0 HA LEU A 20 14.267 6.083 -6.568 1.00 72.22 H new ATOM 0 HB2 LEU A 20 13.057 4.897 -8.915 1.00 62.54 H new ATOM 0 HB3 LEU A 20 11.830 5.747 -7.996 1.00 62.54 H new ATOM 0 HG LEU A 20 13.918 7.567 -8.048 1.00 43.43 H new ATOM 0 HD11 LEU A 20 14.584 7.712 -10.417 1.00 11.33 H new ATOM 0 HD12 LEU A 20 15.149 6.202 -9.663 1.00 11.33 H new ATOM 0 HD13 LEU A 20 13.736 6.182 -10.744 1.00 11.33 H new ATOM 0 HD21 LEU A 20 12.498 8.784 -9.655 1.00 10.25 H new ATOM 0 HD22 LEU A 20 11.567 7.296 -9.952 1.00 10.25 H new ATOM 0 HD23 LEU A 20 11.538 8.058 -8.344 1.00 10.25 H new ATOM 357 N ILE A 21 12.047 3.845 -5.690 1.00 64.13 N ATOM 358 CA ILE A 21 11.049 3.509 -4.683 1.00 21.12 C ATOM 359 C ILE A 21 11.707 2.998 -3.406 1.00 3.14 C ATOM 360 O ILE A 21 11.202 3.217 -2.305 1.00 52.24 O ATOM 361 CB ILE A 21 10.063 2.445 -5.200 1.00 64.50 C ATOM 362 CG1 ILE A 21 8.963 2.193 -4.168 1.00 34.15 C ATOM 363 CG2 ILE A 21 10.800 1.153 -5.523 1.00 32.14 C ATOM 364 CD1 ILE A 21 8.168 3.431 -3.818 1.00 14.42 C ATOM 0 H ILE A 21 12.309 3.070 -6.299 1.00 64.13 H new ATOM 0 HA ILE A 21 10.500 4.425 -4.465 1.00 21.12 H new ATOM 0 HB ILE A 21 9.599 2.815 -6.114 1.00 64.50 H new ATOM 0 HG12 ILE A 21 8.284 1.431 -4.551 1.00 34.15 H new ATOM 0 HG13 ILE A 21 9.413 1.791 -3.260 1.00 34.15 H new ATOM 0 HG21 ILE A 21 10.090 0.410 -5.887 1.00 32.14 H new ATOM 0 HG22 ILE A 21 11.551 1.344 -6.290 1.00 32.14 H new ATOM 0 HG23 ILE A 21 11.288 0.778 -4.623 1.00 32.14 H new ATOM 0 HD11 ILE A 21 7.406 3.178 -3.081 1.00 14.42 H new ATOM 0 HD12 ILE A 21 8.835 4.187 -3.405 1.00 14.42 H new ATOM 0 HD13 ILE A 21 7.689 3.822 -4.716 1.00 14.42 H new ATOM 376 N GLU A 22 12.839 2.318 -3.561 1.00 31.23 N ATOM 377 CA GLU A 22 13.567 1.777 -2.419 1.00 32.02 C ATOM 378 C GLU A 22 13.896 2.876 -1.413 1.00 14.41 C ATOM 379 O GLU A 22 13.942 2.637 -0.206 1.00 74.51 O ATOM 380 CB GLU A 22 14.855 1.094 -2.884 1.00 13.23 C ATOM 381 CG GLU A 22 14.672 -0.371 -3.241 1.00 71.30 C ATOM 382 CD GLU A 22 14.005 -1.163 -2.133 1.00 74.02 C ATOM 383 OE1 GLU A 22 12.757 -1.226 -2.119 1.00 24.53 O ATOM 384 OE2 GLU A 22 14.729 -1.719 -1.281 1.00 52.42 O ATOM 0 H GLU A 22 13.271 2.129 -4.465 1.00 31.23 H new ATOM 0 HA GLU A 22 12.929 1.040 -1.930 1.00 32.02 H new ATOM 0 HB2 GLU A 22 15.245 1.625 -3.753 1.00 13.23 H new ATOM 0 HB3 GLU A 22 15.605 1.177 -2.097 1.00 13.23 H new ATOM 0 HG2 GLU A 22 14.073 -0.448 -4.148 1.00 71.30 H new ATOM 0 HG3 GLU A 22 15.644 -0.811 -3.463 1.00 71.30 H new ATOM 391 N LYS A 23 14.124 4.084 -1.919 1.00 23.44 N ATOM 392 CA LYS A 23 14.448 5.222 -1.067 1.00 23.33 C ATOM 393 C LYS A 23 13.290 5.547 -0.129 1.00 71.12 C ATOM 394 O LYS A 23 13.500 5.929 1.021 1.00 30.25 O ATOM 395 CB LYS A 23 14.785 6.445 -1.922 1.00 4.43 C ATOM 396 CG LYS A 23 16.261 6.804 -1.916 1.00 24.41 C ATOM 397 CD LYS A 23 16.949 6.355 -3.194 1.00 62.33 C ATOM 398 CE LYS A 23 17.433 7.542 -4.013 1.00 62.41 C ATOM 399 NZ LYS A 23 16.378 8.048 -4.933 1.00 74.14 N ATOM 0 H LYS A 23 14.090 4.300 -2.915 1.00 23.44 H new ATOM 0 HA LYS A 23 15.317 4.957 -0.464 1.00 23.33 H new ATOM 0 HB2 LYS A 23 14.469 6.258 -2.948 1.00 4.43 H new ATOM 0 HB3 LYS A 23 14.211 7.299 -1.562 1.00 4.43 H new ATOM 0 HG2 LYS A 23 16.374 7.882 -1.800 1.00 24.41 H new ATOM 0 HG3 LYS A 23 16.746 6.339 -1.058 1.00 24.41 H new ATOM 0 HD2 LYS A 23 17.795 5.713 -2.947 1.00 62.33 H new ATOM 0 HD3 LYS A 23 16.259 5.758 -3.790 1.00 62.33 H new ATOM 0 HE2 LYS A 23 17.745 8.343 -3.343 1.00 62.41 H new ATOM 0 HE3 LYS A 23 18.310 7.251 -4.591 1.00 62.41 H new ATOM 0 HZ1 LYS A 23 16.619 9.012 -5.241 1.00 74.14 H new ATOM 0 HZ2 LYS A 23 16.313 7.425 -5.763 1.00 74.14 H new ATOM 0 HZ3 LYS A 23 15.463 8.062 -4.438 1.00 74.14 H new ATOM 413 N GLU A 24 12.068 5.391 -0.629 1.00 40.44 N ATOM 414 CA GLU A 24 10.877 5.668 0.165 1.00 1.42 C ATOM 415 C GLU A 24 10.543 4.489 1.074 1.00 3.24 C ATOM 416 O GLU A 24 9.636 4.568 1.902 1.00 23.34 O ATOM 417 CB GLU A 24 9.688 5.975 -0.747 1.00 40.45 C ATOM 418 CG GLU A 24 9.005 7.296 -0.433 1.00 75.42 C ATOM 419 CD GLU A 24 7.669 7.110 0.261 1.00 2.41 C ATOM 420 OE1 GLU A 24 6.663 6.874 -0.440 1.00 22.24 O ATOM 421 OE2 GLU A 24 7.631 7.202 1.506 1.00 30.01 O ATOM 0 H GLU A 24 11.877 5.074 -1.580 1.00 40.44 H new ATOM 0 HA GLU A 24 11.082 6.539 0.788 1.00 1.42 H new ATOM 0 HB2 GLU A 24 10.029 5.989 -1.782 1.00 40.45 H new ATOM 0 HB3 GLU A 24 8.959 5.169 -0.663 1.00 40.45 H new ATOM 0 HG2 GLU A 24 9.658 7.898 0.199 1.00 75.42 H new ATOM 0 HG3 GLU A 24 8.856 7.853 -1.358 1.00 75.42 H new ATOM 428 N MET A 25 11.283 3.397 0.913 1.00 60.14 N ATOM 429 CA MET A 25 11.066 2.201 1.719 1.00 42.31 C ATOM 430 C MET A 25 11.867 2.267 3.015 1.00 4.22 C ATOM 431 O MET A 25 12.870 2.976 3.100 1.00 53.13 O ATOM 432 CB MET A 25 11.454 0.950 0.929 1.00 45.13 C ATOM 433 CG MET A 25 10.546 0.675 -0.258 1.00 71.34 C ATOM 434 SD MET A 25 8.854 0.292 0.236 1.00 45.15 S ATOM 435 CE MET A 25 9.114 -1.182 1.220 1.00 44.42 C ATOM 0 H MET A 25 12.038 3.315 0.232 1.00 60.14 H new ATOM 0 HA MET A 25 10.006 2.149 1.969 1.00 42.31 H new ATOM 0 HB2 MET A 25 12.479 1.058 0.575 1.00 45.13 H new ATOM 0 HB3 MET A 25 11.436 0.089 1.597 1.00 45.13 H new ATOM 0 HG2 MET A 25 10.541 1.544 -0.915 1.00 71.34 H new ATOM 0 HG3 MET A 25 10.950 -0.158 -0.834 1.00 71.34 H new ATOM 0 HE1 MET A 25 8.178 -1.470 1.699 1.00 44.42 H new ATOM 0 HE2 MET A 25 9.457 -1.993 0.577 1.00 44.42 H new ATOM 0 HE3 MET A 25 9.866 -0.982 1.984 1.00 44.42 H new ATOM 445 N GLN A 26 11.418 1.524 4.022 1.00 42.33 N ATOM 446 CA GLN A 26 12.094 1.500 5.314 1.00 52.44 C ATOM 447 C GLN A 26 13.422 0.756 5.220 1.00 75.21 C ATOM 448 O GLN A 26 13.642 -0.060 4.325 1.00 73.14 O ATOM 449 CB GLN A 26 11.201 0.844 6.368 1.00 73.22 C ATOM 450 CG GLN A 26 10.674 1.817 7.410 1.00 75.11 C ATOM 451 CD GLN A 26 9.189 2.084 7.261 1.00 73.22 C ATOM 452 OE1 GLN A 26 8.767 3.226 7.079 1.00 13.34 O ATOM 453 NE2 GLN A 26 8.387 1.028 7.336 1.00 14.25 N ATOM 0 H GLN A 26 10.590 0.931 3.968 1.00 42.33 H new ATOM 0 HA GLN A 26 12.296 2.530 5.609 1.00 52.44 H new ATOM 0 HB2 GLN A 26 10.357 0.365 5.871 1.00 73.22 H new ATOM 0 HB3 GLN A 26 11.764 0.057 6.870 1.00 73.22 H new ATOM 0 HG2 GLN A 26 10.870 1.418 8.405 1.00 75.11 H new ATOM 0 HG3 GLN A 26 11.218 2.758 7.331 1.00 75.11 H new ATOM 0 HE21 GLN A 26 8.780 0.099 7.488 1.00 14.25 H new ATOM 0 HE22 GLN A 26 7.378 1.146 7.242 1.00 14.25 H new ATOM 462 N PRO A 27 14.329 1.042 6.165 1.00 1.11 N ATOM 463 CA PRO A 27 15.651 0.410 6.211 1.00 51.03 C ATOM 464 C PRO A 27 15.576 -1.065 6.591 1.00 14.31 C ATOM 465 O PRO A 27 16.586 -1.766 6.598 1.00 43.13 O ATOM 466 CB PRO A 27 16.387 1.204 7.293 1.00 51.44 C ATOM 467 CG PRO A 27 15.308 1.744 8.166 1.00 13.04 C ATOM 468 CD PRO A 27 14.134 2.004 7.263 1.00 44.44 C ATOM 0 HA PRO A 27 16.145 0.428 5.239 1.00 51.03 H new ATOM 0 HB2 PRO A 27 17.070 0.568 7.856 1.00 51.44 H new ATOM 0 HB3 PRO A 27 16.984 2.006 6.859 1.00 51.44 H new ATOM 0 HG2 PRO A 27 15.047 1.032 8.949 1.00 13.04 H new ATOM 0 HG3 PRO A 27 15.629 2.660 8.662 1.00 13.04 H new ATOM 0 HD2 PRO A 27 13.187 1.840 7.778 1.00 44.44 H new ATOM 0 HD3 PRO A 27 14.126 3.032 6.900 1.00 44.44 H new ATOM 476 N ASN A 28 14.371 -1.529 6.907 1.00 11.20 N ATOM 477 CA ASN A 28 14.164 -2.921 7.289 1.00 61.12 C ATOM 478 C ASN A 28 12.806 -3.422 6.806 1.00 43.33 C ATOM 479 O ASN A 28 12.124 -4.169 7.507 1.00 45.44 O ATOM 480 CB ASN A 28 14.266 -3.076 8.808 1.00 44.35 C ATOM 481 CG ASN A 28 15.016 -4.331 9.212 1.00 50.53 C ATOM 482 OD1 ASN A 28 14.442 -5.418 9.269 1.00 23.35 O ATOM 483 ND2 ASN A 28 16.305 -4.184 9.494 1.00 23.22 N ATOM 0 H ASN A 28 13.524 -0.961 6.906 1.00 11.20 H new ATOM 0 HA ASN A 28 14.942 -3.520 6.816 1.00 61.12 H new ATOM 0 HB2 ASN A 28 14.770 -2.205 9.226 1.00 44.35 H new ATOM 0 HB3 ASN A 28 13.264 -3.101 9.236 1.00 44.35 H new ATOM 0 HD21 ASN A 28 16.862 -4.992 9.772 1.00 23.22 H new ATOM 0 HD22 ASN A 28 16.739 -3.263 9.433 1.00 23.22 H new ATOM 490 N GLU A 29 12.422 -3.005 5.603 1.00 15.14 N ATOM 491 CA GLU A 29 11.145 -3.411 5.027 1.00 21.32 C ATOM 492 C GLU A 29 11.357 -4.342 3.836 1.00 4.33 C ATOM 493 O GLU A 29 12.491 -4.624 3.449 1.00 24.01 O ATOM 494 CB GLU A 29 10.343 -2.183 4.592 1.00 34.32 C ATOM 495 CG GLU A 29 9.176 -1.862 5.511 1.00 72.00 C ATOM 496 CD GLU A 29 7.999 -2.796 5.307 1.00 15.21 C ATOM 497 OE1 GLU A 29 8.175 -4.019 5.486 1.00 73.33 O ATOM 498 OE2 GLU A 29 6.902 -2.304 4.969 1.00 51.30 O ATOM 0 H GLU A 29 12.976 -2.387 5.010 1.00 15.14 H new ATOM 0 HA GLU A 29 10.585 -3.949 5.792 1.00 21.32 H new ATOM 0 HB2 GLU A 29 11.009 -1.321 4.549 1.00 34.32 H new ATOM 0 HB3 GLU A 29 9.966 -2.345 3.582 1.00 34.32 H new ATOM 0 HG2 GLU A 29 9.507 -1.922 6.548 1.00 72.00 H new ATOM 0 HG3 GLU A 29 8.854 -0.835 5.338 1.00 72.00 H new ATOM 505 N VAL A 30 10.257 -4.816 3.260 1.00 44.32 N ATOM 506 CA VAL A 30 10.322 -5.714 2.113 1.00 14.20 C ATOM 507 C VAL A 30 9.865 -5.012 0.839 1.00 0.11 C ATOM 508 O VAL A 30 8.969 -4.169 0.870 1.00 73.33 O ATOM 509 CB VAL A 30 9.456 -6.968 2.333 1.00 33.44 C ATOM 510 CG1 VAL A 30 8.011 -6.579 2.607 1.00 50.12 C ATOM 511 CG2 VAL A 30 9.548 -7.897 1.132 1.00 40.31 C ATOM 0 H VAL A 30 9.311 -4.593 3.569 1.00 44.32 H new ATOM 0 HA VAL A 30 11.364 -6.015 2.005 1.00 14.20 H new ATOM 0 HB VAL A 30 9.835 -7.501 3.205 1.00 33.44 H new ATOM 0 HG11 VAL A 30 7.415 -7.479 2.760 1.00 50.12 H new ATOM 0 HG12 VAL A 30 7.965 -5.957 3.501 1.00 50.12 H new ATOM 0 HG13 VAL A 30 7.617 -6.022 1.757 1.00 50.12 H new ATOM 0 HG21 VAL A 30 8.930 -8.778 1.305 1.00 40.31 H new ATOM 0 HG22 VAL A 30 9.196 -7.376 0.241 1.00 40.31 H new ATOM 0 HG23 VAL A 30 10.584 -8.204 0.988 1.00 40.31 H new ATOM 521 N ALA A 31 10.488 -5.366 -0.281 1.00 13.45 N ATOM 522 CA ALA A 31 10.144 -4.772 -1.566 1.00 54.53 C ATOM 523 C ALA A 31 9.882 -5.847 -2.615 1.00 53.24 C ATOM 524 O ALA A 31 10.793 -6.573 -3.014 1.00 52.12 O ATOM 525 CB ALA A 31 11.252 -3.838 -2.030 1.00 21.01 C ATOM 0 H ALA A 31 11.233 -6.061 -0.323 1.00 13.45 H new ATOM 0 HA ALA A 31 9.228 -4.195 -1.438 1.00 54.53 H new ATOM 0 HB1 ALA A 31 10.981 -3.402 -2.991 1.00 21.01 H new ATOM 0 HB2 ALA A 31 11.389 -3.043 -1.296 1.00 21.01 H new ATOM 0 HB3 ALA A 31 12.181 -4.399 -2.135 1.00 21.01 H new ATOM 531 N ILE A 32 8.632 -5.944 -3.057 1.00 45.45 N ATOM 532 CA ILE A 32 8.252 -6.930 -4.060 1.00 71.45 C ATOM 533 C ILE A 32 8.293 -6.333 -5.463 1.00 11.22 C ATOM 534 O ILE A 32 7.411 -5.565 -5.848 1.00 42.40 O ATOM 535 CB ILE A 32 6.842 -7.489 -3.794 1.00 32.32 C ATOM 536 CG1 ILE A 32 6.882 -8.513 -2.657 1.00 53.13 C ATOM 537 CG2 ILE A 32 6.272 -8.115 -5.058 1.00 63.31 C ATOM 538 CD1 ILE A 32 5.707 -8.409 -1.709 1.00 64.44 C ATOM 0 H ILE A 32 7.866 -5.352 -2.736 1.00 45.45 H new ATOM 0 HA ILE A 32 8.975 -7.742 -3.992 1.00 71.45 H new ATOM 0 HB ILE A 32 6.192 -6.667 -3.495 1.00 32.32 H new ATOM 0 HG12 ILE A 32 6.907 -9.516 -3.083 1.00 53.13 H new ATOM 0 HG13 ILE A 32 7.806 -8.382 -2.094 1.00 53.13 H new ATOM 0 HG21 ILE A 32 5.275 -8.505 -4.853 1.00 63.31 H new ATOM 0 HG22 ILE A 32 6.212 -7.361 -5.843 1.00 63.31 H new ATOM 0 HG23 ILE A 32 6.920 -8.928 -5.385 1.00 63.31 H new ATOM 0 HD11 ILE A 32 5.801 -9.164 -0.929 1.00 64.44 H new ATOM 0 HD12 ILE A 32 5.692 -7.418 -1.255 1.00 64.44 H new ATOM 0 HD13 ILE A 32 4.780 -8.569 -2.260 1.00 64.44 H new ATOM 550 N PHE A 33 9.322 -6.692 -6.223 1.00 72.13 N ATOM 551 CA PHE A 33 9.478 -6.192 -7.584 1.00 71.23 C ATOM 552 C PHE A 33 9.081 -7.256 -8.603 1.00 73.33 C ATOM 553 O PHE A 33 9.793 -8.241 -8.798 1.00 12.13 O ATOM 554 CB PHE A 33 10.923 -5.753 -7.826 1.00 43.42 C ATOM 555 CG PHE A 33 11.439 -4.793 -6.792 1.00 51.34 C ATOM 556 CD1 PHE A 33 10.629 -3.781 -6.302 1.00 72.20 C ATOM 557 CD2 PHE A 33 12.733 -4.902 -6.311 1.00 23.03 C ATOM 558 CE1 PHE A 33 11.101 -2.896 -5.351 1.00 61.14 C ATOM 559 CE2 PHE A 33 13.211 -4.020 -5.360 1.00 21.14 C ATOM 560 CZ PHE A 33 12.393 -3.016 -4.879 1.00 23.43 C ATOM 0 H PHE A 33 10.060 -7.327 -5.920 1.00 72.13 H new ATOM 0 HA PHE A 33 8.819 -5.333 -7.706 1.00 71.23 H new ATOM 0 HB2 PHE A 33 11.564 -6.634 -7.844 1.00 43.42 H new ATOM 0 HB3 PHE A 33 10.993 -5.288 -8.809 1.00 43.42 H new ATOM 0 HD1 PHE A 33 9.617 -3.683 -6.667 1.00 72.20 H new ATOM 0 HD2 PHE A 33 13.376 -5.685 -6.683 1.00 23.03 H new ATOM 0 HE1 PHE A 33 10.460 -2.111 -4.977 1.00 61.14 H new ATOM 0 HE2 PHE A 33 14.222 -4.116 -4.994 1.00 21.14 H new ATOM 0 HZ PHE A 33 12.763 -2.326 -4.135 1.00 23.43 H new ATOM 570 N MET A 34 7.938 -7.050 -9.250 1.00 64.05 N ATOM 571 CA MET A 34 7.446 -7.991 -10.250 1.00 42.11 C ATOM 572 C MET A 34 8.137 -7.769 -11.592 1.00 21.31 C ATOM 573 O MET A 34 8.284 -6.634 -12.046 1.00 21.24 O ATOM 574 CB MET A 34 5.932 -7.849 -10.413 1.00 53.44 C ATOM 575 CG MET A 34 5.133 -8.773 -9.508 1.00 44.31 C ATOM 576 SD MET A 34 3.919 -9.752 -10.412 1.00 62.13 S ATOM 577 CE MET A 34 4.961 -10.532 -11.643 1.00 5.42 C ATOM 0 H MET A 34 7.336 -6.241 -9.100 1.00 64.05 H new ATOM 0 HA MET A 34 7.674 -9.000 -9.907 1.00 42.11 H new ATOM 0 HB2 MET A 34 5.648 -6.817 -10.206 1.00 53.44 H new ATOM 0 HB3 MET A 34 5.666 -8.051 -11.451 1.00 53.44 H new ATOM 0 HG2 MET A 34 5.816 -9.442 -8.984 1.00 44.31 H new ATOM 0 HG3 MET A 34 4.623 -8.180 -8.749 1.00 44.31 H new ATOM 0 HE1 MET A 34 4.455 -10.520 -12.608 1.00 5.42 H new ATOM 0 HE2 MET A 34 5.902 -9.988 -11.720 1.00 5.42 H new ATOM 0 HE3 MET A 34 5.161 -11.563 -11.350 1.00 5.42 H new ATOM 587 N PHE A 35 8.559 -8.860 -12.222 1.00 65.31 N ATOM 588 CA PHE A 35 9.236 -8.785 -13.512 1.00 2.53 C ATOM 589 C PHE A 35 8.745 -9.883 -14.449 1.00 74.53 C ATOM 590 O PHE A 35 8.681 -11.053 -14.071 1.00 54.33 O ATOM 591 CB PHE A 35 10.751 -8.898 -13.324 1.00 75.03 C ATOM 592 CG PHE A 35 11.205 -10.276 -12.934 1.00 53.51 C ATOM 593 CD1 PHE A 35 10.897 -10.793 -11.686 1.00 71.34 C ATOM 594 CD2 PHE A 35 11.940 -11.052 -13.815 1.00 31.31 C ATOM 595 CE1 PHE A 35 11.313 -12.061 -11.324 1.00 51.32 C ATOM 596 CE2 PHE A 35 12.358 -12.320 -13.458 1.00 63.45 C ATOM 597 CZ PHE A 35 12.046 -12.825 -12.211 1.00 55.22 C ATOM 0 H PHE A 35 8.444 -9.807 -11.860 1.00 65.31 H new ATOM 0 HA PHE A 35 9.003 -7.819 -13.960 1.00 2.53 H new ATOM 0 HB2 PHE A 35 11.247 -8.609 -14.251 1.00 75.03 H new ATOM 0 HB3 PHE A 35 11.068 -8.189 -12.559 1.00 75.03 H new ATOM 0 HD1 PHE A 35 10.326 -10.199 -10.988 1.00 71.34 H new ATOM 0 HD2 PHE A 35 12.189 -10.662 -14.791 1.00 31.31 H new ATOM 0 HE1 PHE A 35 11.065 -12.454 -10.349 1.00 51.32 H new ATOM 0 HE2 PHE A 35 12.929 -12.916 -14.154 1.00 63.45 H new ATOM 0 HZ PHE A 35 12.374 -13.815 -11.930 1.00 55.22 H new ATOM 607 N GLU A 36 8.398 -9.498 -15.673 1.00 43.44 N ATOM 608 CA GLU A 36 7.911 -10.450 -16.664 1.00 40.25 C ATOM 609 C GLU A 36 8.984 -10.746 -17.708 1.00 41.44 C ATOM 610 O GLU A 36 8.846 -11.666 -18.514 1.00 32.44 O ATOM 611 CB GLU A 36 6.654 -9.909 -17.349 1.00 33.24 C ATOM 612 CG GLU A 36 6.902 -8.663 -18.181 1.00 50.32 C ATOM 613 CD GLU A 36 6.764 -8.918 -19.670 1.00 22.25 C ATOM 614 OE1 GLU A 36 5.786 -9.584 -20.068 1.00 54.04 O ATOM 615 OE2 GLU A 36 7.634 -8.453 -20.435 1.00 62.20 O ATOM 0 H GLU A 36 8.445 -8.534 -16.002 1.00 43.44 H new ATOM 0 HA GLU A 36 7.665 -11.378 -16.148 1.00 40.25 H new ATOM 0 HB2 GLU A 36 6.237 -10.686 -17.990 1.00 33.24 H new ATOM 0 HB3 GLU A 36 5.905 -9.685 -16.590 1.00 33.24 H new ATOM 0 HG2 GLU A 36 6.199 -7.886 -17.883 1.00 50.32 H new ATOM 0 HG3 GLU A 36 7.903 -8.285 -17.972 1.00 50.32 H new ATOM 688 N ASN A 42 19.249 -8.828 -13.720 1.00 53.45 N ATOM 689 CA ASN A 42 19.026 -7.413 -13.444 1.00 43.02 C ATOM 690 C ASN A 42 18.225 -7.229 -12.159 1.00 24.12 C ATOM 691 O ASN A 42 18.320 -6.194 -11.499 1.00 44.53 O ATOM 692 CB ASN A 42 18.293 -6.753 -14.614 1.00 5.42 C ATOM 693 CG ASN A 42 19.241 -6.049 -15.567 1.00 33.25 C ATOM 694 OD1 ASN A 42 19.595 -6.586 -16.616 1.00 63.11 O ATOM 695 ND2 ASN A 42 19.655 -4.841 -15.204 1.00 4.04 N ATOM 0 HA ASN A 42 19.998 -6.936 -13.317 1.00 43.02 H new ATOM 0 HB2 ASN A 42 17.729 -7.510 -15.160 1.00 5.42 H new ATOM 0 HB3 ASN A 42 17.570 -6.034 -14.228 1.00 5.42 H new ATOM 0 HD21 ASN A 42 20.293 -4.319 -15.804 1.00 4.04 H new ATOM 0 HD22 ASN A 42 19.335 -4.435 -14.325 1.00 4.04 H new ATOM 702 N ILE A 43 17.438 -8.241 -11.809 1.00 51.51 N ATOM 703 CA ILE A 43 16.622 -8.191 -10.602 1.00 43.01 C ATOM 704 C ILE A 43 17.459 -7.798 -9.389 1.00 73.01 C ATOM 705 O ILE A 43 17.177 -6.816 -8.702 1.00 24.13 O ATOM 706 CB ILE A 43 15.943 -9.545 -10.326 1.00 34.10 C ATOM 707 CG1 ILE A 43 14.609 -9.632 -11.071 1.00 32.24 C ATOM 708 CG2 ILE A 43 15.735 -9.738 -8.831 1.00 74.43 C ATOM 709 CD1 ILE A 43 13.593 -8.609 -10.612 1.00 70.33 C ATOM 0 H ILE A 43 17.348 -9.105 -12.344 1.00 51.51 H new ATOM 0 HA ILE A 43 15.854 -7.436 -10.771 1.00 43.01 H new ATOM 0 HB ILE A 43 16.593 -10.342 -10.688 1.00 34.10 H new ATOM 0 HG12 ILE A 43 14.789 -9.500 -12.138 1.00 32.24 H new ATOM 0 HG13 ILE A 43 14.193 -10.631 -10.939 1.00 32.24 H new ATOM 0 HG21 ILE A 43 15.254 -10.700 -8.652 1.00 74.43 H new ATOM 0 HG22 ILE A 43 16.699 -9.714 -8.323 1.00 74.43 H new ATOM 0 HG23 ILE A 43 15.102 -8.938 -8.445 1.00 74.43 H new ATOM 0 HD11 ILE A 43 12.672 -8.729 -11.183 1.00 70.33 H new ATOM 0 HD12 ILE A 43 13.384 -8.754 -9.552 1.00 70.33 H new ATOM 0 HD13 ILE A 43 13.990 -7.606 -10.770 1.00 70.33 H new ATOM 721 N PRO A 44 18.514 -8.581 -9.119 1.00 52.02 N ATOM 722 CA PRO A 44 19.415 -8.333 -7.990 1.00 31.42 C ATOM 723 C PRO A 44 20.268 -7.086 -8.192 1.00 2.13 C ATOM 724 O PRO A 44 20.747 -6.486 -7.229 1.00 43.01 O ATOM 725 CB PRO A 44 20.296 -9.585 -7.958 1.00 41.42 C ATOM 726 CG PRO A 44 20.272 -10.100 -9.356 1.00 31.44 C ATOM 727 CD PRO A 44 18.909 -9.768 -9.896 1.00 54.12 C ATOM 0 HA PRO A 44 18.869 -8.156 -7.064 1.00 31.42 H new ATOM 0 HB2 PRO A 44 21.311 -9.347 -7.641 1.00 41.42 H new ATOM 0 HB3 PRO A 44 19.908 -10.324 -7.257 1.00 41.42 H new ATOM 0 HG2 PRO A 44 21.054 -9.635 -9.957 1.00 31.44 H new ATOM 0 HG3 PRO A 44 20.450 -11.175 -9.379 1.00 31.44 H new ATOM 0 HD2 PRO A 44 18.941 -9.556 -10.965 1.00 54.12 H new ATOM 0 HD3 PRO A 44 18.209 -10.592 -9.755 1.00 54.12 H new ATOM 735 N LYS A 45 20.455 -6.699 -9.449 1.00 74.32 N ATOM 736 CA LYS A 45 21.249 -5.522 -9.779 1.00 13.35 C ATOM 737 C LYS A 45 20.606 -4.258 -9.216 1.00 43.43 C ATOM 738 O LYS A 45 21.296 -3.292 -8.889 1.00 23.32 O ATOM 739 CB LYS A 45 21.406 -5.395 -11.295 1.00 62.25 C ATOM 740 CG LYS A 45 22.747 -4.824 -11.722 1.00 64.33 C ATOM 741 CD LYS A 45 22.576 -3.613 -12.623 1.00 4.50 C ATOM 742 CE LYS A 45 23.834 -3.339 -13.434 1.00 32.00 C ATOM 743 NZ LYS A 45 24.128 -1.882 -13.528 1.00 35.14 N ATOM 0 H LYS A 45 20.066 -7.185 -10.257 1.00 74.32 H new ATOM 0 HA LYS A 45 22.234 -5.641 -9.327 1.00 13.35 H new ATOM 0 HB2 LYS A 45 21.278 -6.378 -11.749 1.00 62.25 H new ATOM 0 HB3 LYS A 45 20.610 -4.759 -11.682 1.00 62.25 H new ATOM 0 HG2 LYS A 45 23.322 -4.544 -10.839 1.00 64.33 H new ATOM 0 HG3 LYS A 45 23.320 -5.590 -12.245 1.00 64.33 H new ATOM 0 HD2 LYS A 45 21.735 -3.776 -13.297 1.00 4.50 H new ATOM 0 HD3 LYS A 45 22.334 -2.739 -12.018 1.00 4.50 H new ATOM 0 HE2 LYS A 45 24.680 -3.851 -12.976 1.00 32.00 H new ATOM 0 HE3 LYS A 45 23.717 -3.751 -14.436 1.00 32.00 H new ATOM 0 HZ1 LYS A 45 24.992 -1.738 -14.088 1.00 35.14 H new ATOM 0 HZ2 LYS A 45 23.332 -1.396 -13.988 1.00 35.14 H new ATOM 0 HZ3 LYS A 45 24.265 -1.493 -12.573 1.00 35.14 H new ATOM 757 N SER A 46 19.282 -4.271 -9.106 1.00 32.10 N ATOM 758 CA SER A 46 18.546 -3.125 -8.585 1.00 44.43 C ATOM 759 C SER A 46 18.770 -2.973 -7.084 1.00 14.53 C ATOM 760 O SER A 46 19.104 -1.891 -6.601 1.00 54.12 O ATOM 761 CB SER A 46 17.052 -3.275 -8.878 1.00 2.23 C ATOM 762 OG SER A 46 16.815 -4.331 -9.792 1.00 42.12 O ATOM 0 H SER A 46 18.696 -5.063 -9.371 1.00 32.10 H new ATOM 0 HA SER A 46 18.917 -2.229 -9.082 1.00 44.43 H new ATOM 0 HB2 SER A 46 16.514 -3.466 -7.950 1.00 2.23 H new ATOM 0 HB3 SER A 46 16.663 -2.342 -9.286 1.00 2.23 H new ATOM 0 HG SER A 46 15.851 -4.489 -9.867 1.00 42.12 H new ATOM 768 N ALA A 47 18.582 -4.065 -6.350 1.00 41.14 N ATOM 769 CA ALA A 47 18.765 -4.055 -4.904 1.00 55.13 C ATOM 770 C ALA A 47 20.195 -3.677 -4.534 1.00 32.30 C ATOM 771 O ALA A 47 20.448 -3.161 -3.446 1.00 54.21 O ATOM 772 CB ALA A 47 18.406 -5.412 -4.318 1.00 22.23 C ATOM 0 H ALA A 47 18.303 -4.968 -6.733 1.00 41.14 H new ATOM 0 HA ALA A 47 18.099 -3.302 -4.483 1.00 55.13 H new ATOM 0 HB1 ALA A 47 18.547 -5.391 -3.237 1.00 22.23 H new ATOM 0 HB2 ALA A 47 17.365 -5.642 -4.543 1.00 22.23 H new ATOM 0 HB3 ALA A 47 19.049 -6.178 -4.753 1.00 22.23 H new ATOM 778 N GLU A 48 21.126 -3.939 -5.446 1.00 22.44 N ATOM 779 CA GLU A 48 22.531 -3.628 -5.212 1.00 44.24 C ATOM 780 C GLU A 48 22.777 -2.124 -5.301 1.00 23.31 C ATOM 781 O GLU A 48 23.588 -1.572 -4.557 1.00 40.31 O ATOM 782 CB GLU A 48 23.414 -4.360 -6.225 1.00 61.50 C ATOM 783 CG GLU A 48 24.895 -4.315 -5.887 1.00 33.11 C ATOM 784 CD GLU A 48 25.747 -3.861 -7.056 1.00 55.43 C ATOM 785 OE1 GLU A 48 25.743 -4.551 -8.097 1.00 5.32 O ATOM 786 OE2 GLU A 48 26.416 -2.814 -6.930 1.00 41.11 O ATOM 0 H GLU A 48 20.933 -4.365 -6.352 1.00 22.44 H new ATOM 0 HA GLU A 48 22.788 -3.963 -4.207 1.00 44.24 H new ATOM 0 HB2 GLU A 48 23.096 -5.401 -6.287 1.00 61.50 H new ATOM 0 HB3 GLU A 48 23.262 -3.921 -7.211 1.00 61.50 H new ATOM 0 HG2 GLU A 48 25.051 -3.641 -5.045 1.00 33.11 H new ATOM 0 HG3 GLU A 48 25.221 -5.305 -5.567 1.00 33.11 H new ATOM 793 N PHE A 49 22.072 -1.468 -6.216 1.00 71.33 N ATOM 794 CA PHE A 49 22.214 -0.029 -6.404 1.00 72.22 C ATOM 795 C PHE A 49 22.029 0.713 -5.084 1.00 30.44 C ATOM 796 O PHE A 49 22.585 1.793 -4.883 1.00 61.23 O ATOM 797 CB PHE A 49 21.198 0.475 -7.432 1.00 4.03 C ATOM 798 CG PHE A 49 21.812 1.301 -8.526 1.00 3.45 C ATOM 799 CD1 PHE A 49 22.115 2.637 -8.316 1.00 11.22 C ATOM 800 CD2 PHE A 49 22.087 0.742 -9.763 1.00 42.30 C ATOM 801 CE1 PHE A 49 22.679 3.400 -9.321 1.00 20.11 C ATOM 802 CE2 PHE A 49 22.652 1.500 -10.772 1.00 12.01 C ATOM 803 CZ PHE A 49 22.949 2.830 -10.550 1.00 10.30 C ATOM 0 H PHE A 49 21.396 -1.910 -6.839 1.00 71.33 H new ATOM 0 HA PHE A 49 23.221 0.166 -6.772 1.00 72.22 H new ATOM 0 HB2 PHE A 49 20.688 -0.380 -7.876 1.00 4.03 H new ATOM 0 HB3 PHE A 49 20.440 1.069 -6.921 1.00 4.03 H new ATOM 0 HD1 PHE A 49 21.908 3.087 -7.356 1.00 11.22 H new ATOM 0 HD2 PHE A 49 21.857 -0.298 -9.942 1.00 42.30 H new ATOM 0 HE1 PHE A 49 22.908 4.441 -9.146 1.00 20.11 H new ATOM 0 HE2 PHE A 49 22.861 1.052 -11.732 1.00 12.01 H new ATOM 0 HZ PHE A 49 23.392 3.424 -11.336 1.00 10.30 H new ATOM 813 N ILE A 50 21.244 0.125 -4.187 1.00 1.02 N ATOM 814 CA ILE A 50 20.986 0.729 -2.886 1.00 1.23 C ATOM 815 C ILE A 50 22.217 0.650 -1.989 1.00 41.42 C ATOM 816 O ILE A 50 22.546 1.605 -1.286 1.00 3.11 O ATOM 817 CB ILE A 50 19.802 0.049 -2.174 1.00 20.32 C ATOM 818 CG1 ILE A 50 18.606 -0.065 -3.121 1.00 51.42 C ATOM 819 CG2 ILE A 50 19.421 0.823 -0.921 1.00 51.41 C ATOM 820 CD1 ILE A 50 17.975 1.268 -3.460 1.00 65.14 C ATOM 0 H ILE A 50 20.776 -0.769 -4.338 1.00 1.02 H new ATOM 0 HA ILE A 50 20.738 1.775 -3.068 1.00 1.23 H new ATOM 0 HB ILE A 50 20.104 -0.956 -1.878 1.00 20.32 H new ATOM 0 HG12 ILE A 50 18.927 -0.551 -4.042 1.00 51.42 H new ATOM 0 HG13 ILE A 50 17.853 -0.709 -2.667 1.00 51.42 H new ATOM 0 HG21 ILE A 50 18.583 0.329 -0.429 1.00 51.41 H new ATOM 0 HG22 ILE A 50 20.272 0.856 -0.241 1.00 51.41 H new ATOM 0 HG23 ILE A 50 19.135 1.839 -1.194 1.00 51.41 H new ATOM 0 HD11 ILE A 50 17.134 1.111 -4.135 1.00 65.14 H new ATOM 0 HD12 ILE A 50 17.623 1.747 -2.546 1.00 65.14 H new ATOM 0 HD13 ILE A 50 18.713 1.908 -3.943 1.00 65.14 H new ATOM 832 N GLN A 51 22.894 -0.493 -2.021 1.00 74.24 N ATOM 833 CA GLN A 51 24.089 -0.696 -1.212 1.00 45.12 C ATOM 834 C GLN A 51 24.708 -2.062 -1.488 1.00 20.54 C ATOM 835 O GLN A 51 24.008 -3.074 -1.534 1.00 12.32 O ATOM 836 CB GLN A 51 23.753 -0.565 0.274 1.00 22.33 C ATOM 837 CG GLN A 51 24.857 0.085 1.093 1.00 54.42 C ATOM 838 CD GLN A 51 24.939 1.583 0.874 1.00 4.23 C ATOM 839 OE1 GLN A 51 25.843 2.074 0.197 1.00 0.42 O ATOM 840 NE2 GLN A 51 23.994 2.319 1.448 1.00 61.41 N ATOM 0 H GLN A 51 22.635 -1.293 -2.599 1.00 74.24 H new ATOM 0 HA GLN A 51 24.814 0.072 -1.482 1.00 45.12 H new ATOM 0 HB2 GLN A 51 22.840 0.021 0.381 1.00 22.33 H new ATOM 0 HB3 GLN A 51 23.546 -1.555 0.680 1.00 22.33 H new ATOM 0 HG2 GLN A 51 24.686 -0.115 2.151 1.00 54.42 H new ATOM 0 HG3 GLN A 51 25.813 -0.370 0.833 1.00 54.42 H new ATOM 0 HE21 GLN A 51 23.263 1.870 2.001 1.00 61.41 H new ATOM 0 HE22 GLN A 51 23.999 3.333 1.336 1.00 61.41 H new ATOM 849 N SER A 52 26.024 -2.085 -1.670 1.00 44.24 N ATOM 850 CA SER A 52 26.737 -3.327 -1.946 1.00 10.14 C ATOM 851 C SER A 52 26.383 -4.396 -0.916 1.00 52.13 C ATOM 852 O SER A 52 26.387 -5.590 -1.217 1.00 15.22 O ATOM 853 CB SER A 52 28.247 -3.084 -1.946 1.00 44.30 C ATOM 854 OG SER A 52 28.662 -2.448 -0.749 1.00 50.14 O ATOM 0 H SER A 52 26.619 -1.257 -1.631 1.00 44.24 H new ATOM 0 HA SER A 52 26.433 -3.680 -2.931 1.00 10.14 H new ATOM 0 HB2 SER A 52 28.771 -4.033 -2.058 1.00 44.30 H new ATOM 0 HB3 SER A 52 28.519 -2.467 -2.802 1.00 44.30 H new ATOM 0 HG SER A 52 29.631 -2.306 -0.773 1.00 50.14 H new ATOM 860 N LYS A 53 26.077 -3.958 0.300 1.00 32.34 N ATOM 861 CA LYS A 53 25.719 -4.875 1.376 1.00 34.01 C ATOM 862 C LYS A 53 24.484 -4.381 2.123 1.00 75.51 C ATOM 863 O LYS A 53 24.457 -3.258 2.624 1.00 31.43 O ATOM 864 CB LYS A 53 26.888 -5.032 2.351 1.00 60.13 C ATOM 865 CG LYS A 53 27.483 -3.710 2.804 1.00 25.53 C ATOM 866 CD LYS A 53 27.865 -3.746 4.275 1.00 60.23 C ATOM 867 CE LYS A 53 29.356 -3.983 4.458 1.00 43.20 C ATOM 868 NZ LYS A 53 29.687 -5.434 4.500 1.00 74.30 N ATOM 0 H LYS A 53 26.070 -2.973 0.566 1.00 32.34 H new ATOM 0 HA LYS A 53 25.491 -5.844 0.932 1.00 34.01 H new ATOM 0 HB2 LYS A 53 26.549 -5.587 3.226 1.00 60.13 H new ATOM 0 HB3 LYS A 53 27.668 -5.629 1.877 1.00 60.13 H new ATOM 0 HG2 LYS A 53 28.364 -3.481 2.204 1.00 25.53 H new ATOM 0 HG3 LYS A 53 26.764 -2.909 2.633 1.00 25.53 H new ATOM 0 HD2 LYS A 53 27.584 -2.805 4.748 1.00 60.23 H new ATOM 0 HD3 LYS A 53 27.306 -4.535 4.778 1.00 60.23 H new ATOM 0 HE2 LYS A 53 29.902 -3.510 3.642 1.00 43.20 H new ATOM 0 HE3 LYS A 53 29.688 -3.508 5.381 1.00 43.20 H new ATOM 0 HZ1 LYS A 53 30.713 -5.553 4.626 1.00 74.30 H new ATOM 0 HZ2 LYS A 53 29.187 -5.881 5.294 1.00 74.30 H new ATOM 0 HZ3 LYS A 53 29.393 -5.883 3.609 1.00 74.30 H new ATOM 882 N GLY A 54 23.462 -5.230 2.194 1.00 1.22 N ATOM 883 CA GLY A 54 22.239 -4.862 2.883 1.00 51.21 C ATOM 884 C GLY A 54 20.997 -5.317 2.142 1.00 21.04 C ATOM 885 O GLY A 54 19.885 -5.218 2.661 1.00 55.50 O ATOM 0 H GLY A 54 23.460 -6.165 1.787 1.00 1.22 H new ATOM 0 HA2 GLY A 54 22.243 -5.298 3.882 1.00 51.21 H new ATOM 0 HA3 GLY A 54 22.208 -3.780 3.008 1.00 51.21 H new ATOM 889 N HIS A 55 21.186 -5.817 0.925 1.00 14.22 N ATOM 890 CA HIS A 55 20.071 -6.288 0.111 1.00 31.11 C ATOM 891 C HIS A 55 20.113 -7.806 -0.041 1.00 51.43 C ATOM 892 O HIS A 55 21.057 -8.355 -0.607 1.00 23.42 O ATOM 893 CB HIS A 55 20.101 -5.625 -1.266 1.00 41.40 C ATOM 894 CG HIS A 55 21.323 -5.959 -2.065 1.00 50.32 C ATOM 895 ND1 HIS A 55 22.571 -5.446 -1.782 1.00 1.32 N ATOM 896 CD2 HIS A 55 21.484 -6.761 -3.143 1.00 75.05 C ATOM 897 CE1 HIS A 55 23.446 -5.917 -2.652 1.00 42.42 C ATOM 898 NE2 HIS A 55 22.812 -6.718 -3.489 1.00 52.41 N ATOM 0 H HIS A 55 22.100 -5.906 0.481 1.00 14.22 H new ATOM 0 HA HIS A 55 19.144 -6.016 0.616 1.00 31.11 H new ATOM 0 HB2 HIS A 55 19.217 -5.929 -1.826 1.00 41.40 H new ATOM 0 HB3 HIS A 55 20.043 -4.544 -1.141 1.00 41.40 H new ATOM 0 HD1 HIS A 55 22.785 -4.803 -1.020 1.00 1.32 H new ATOM 0 HD2 HIS A 55 20.711 -7.329 -3.639 1.00 75.05 H new ATOM 0 HE1 HIS A 55 24.501 -5.686 -2.675 1.00 42.42 H new ATOM 906 N GLU A 56 19.084 -8.476 0.468 1.00 53.51 N ATOM 907 CA GLU A 56 19.005 -9.929 0.389 1.00 23.51 C ATOM 908 C GLU A 56 17.617 -10.376 -0.060 1.00 51.12 C ATOM 909 O GLU A 56 16.608 -10.001 0.538 1.00 13.04 O ATOM 910 CB GLU A 56 19.340 -10.555 1.745 1.00 41.31 C ATOM 911 CG GLU A 56 20.341 -11.695 1.659 1.00 74.12 C ATOM 912 CD GLU A 56 19.678 -13.058 1.710 1.00 54.11 C ATOM 913 OE1 GLU A 56 19.033 -13.367 2.734 1.00 43.11 O ATOM 914 OE2 GLU A 56 19.803 -13.815 0.725 1.00 63.32 O ATOM 0 H GLU A 56 18.294 -8.035 0.939 1.00 53.51 H new ATOM 0 HA GLU A 56 19.733 -10.266 -0.349 1.00 23.51 H new ATOM 0 HB2 GLU A 56 19.737 -9.783 2.404 1.00 41.31 H new ATOM 0 HB3 GLU A 56 18.422 -10.923 2.203 1.00 41.31 H new ATOM 0 HG2 GLU A 56 20.909 -11.606 0.733 1.00 74.12 H new ATOM 0 HG3 GLU A 56 21.054 -11.611 2.480 1.00 74.12 H new ATOM 921 N LEU A 57 17.574 -11.178 -1.118 1.00 34.30 N ATOM 922 CA LEU A 57 16.310 -11.676 -1.649 1.00 75.42 C ATOM 923 C LEU A 57 15.777 -12.826 -0.799 1.00 52.44 C ATOM 924 O LEU A 57 16.253 -13.957 -0.898 1.00 31.43 O ATOM 925 CB LEU A 57 16.488 -12.138 -3.097 1.00 4.24 C ATOM 926 CG LEU A 57 16.853 -11.050 -4.108 1.00 15.03 C ATOM 927 CD1 LEU A 57 15.967 -9.828 -3.920 1.00 33.25 C ATOM 928 CD2 LEU A 57 18.321 -10.672 -3.978 1.00 52.53 C ATOM 0 H LEU A 57 18.399 -11.497 -1.625 1.00 34.30 H new ATOM 0 HA LEU A 57 15.587 -10.861 -1.620 1.00 75.42 H new ATOM 0 HB2 LEU A 57 17.264 -12.903 -3.121 1.00 4.24 H new ATOM 0 HB3 LEU A 57 15.562 -12.613 -3.422 1.00 4.24 H new ATOM 0 HG LEU A 57 16.687 -11.443 -5.111 1.00 15.03 H new ATOM 0 HD11 LEU A 57 16.241 -9.064 -4.648 1.00 33.25 H new ATOM 0 HD12 LEU A 57 14.924 -10.109 -4.064 1.00 33.25 H new ATOM 0 HD13 LEU A 57 16.100 -9.433 -2.913 1.00 33.25 H new ATOM 0 HD21 LEU A 57 18.563 -9.897 -4.705 1.00 52.53 H new ATOM 0 HD22 LEU A 57 18.513 -10.299 -2.972 1.00 52.53 H new ATOM 0 HD23 LEU A 57 18.940 -11.549 -4.164 1.00 52.53 H new ATOM 940 N LEU A 58 14.785 -12.528 0.033 1.00 24.43 N ATOM 941 CA LEU A 58 14.185 -13.537 0.900 1.00 63.25 C ATOM 942 C LEU A 58 13.756 -14.760 0.095 1.00 23.11 C ATOM 943 O LEU A 58 14.020 -15.896 0.486 1.00 31.24 O ATOM 944 CB LEU A 58 12.981 -12.952 1.640 1.00 45.43 C ATOM 945 CG LEU A 58 13.079 -12.926 3.165 1.00 1.04 C ATOM 946 CD1 LEU A 58 12.549 -11.610 3.712 1.00 2.42 C ATOM 947 CD2 LEU A 58 12.321 -14.100 3.768 1.00 1.21 C ATOM 0 H LEU A 58 14.379 -11.597 0.126 1.00 24.43 H new ATOM 0 HA LEU A 58 14.935 -13.848 1.628 1.00 63.25 H new ATOM 0 HB2 LEU A 58 12.824 -11.932 1.289 1.00 45.43 H new ATOM 0 HB3 LEU A 58 12.096 -13.524 1.362 1.00 45.43 H new ATOM 0 HG LEU A 58 14.129 -13.015 3.444 1.00 1.04 H new ATOM 0 HD11 LEU A 58 12.627 -11.610 4.799 1.00 2.42 H new ATOM 0 HD12 LEU A 58 13.135 -10.785 3.306 1.00 2.42 H new ATOM 0 HD13 LEU A 58 11.505 -11.490 3.423 1.00 2.42 H new ATOM 0 HD21 LEU A 58 12.402 -14.066 4.854 1.00 1.21 H new ATOM 0 HD22 LEU A 58 11.271 -14.042 3.480 1.00 1.21 H new ATOM 0 HD23 LEU A 58 12.747 -15.034 3.402 1.00 1.21 H new ATOM 1088 N ASP A 67 5.902 -14.049 -15.377 1.00 40.24 N ATOM 1089 CA ASP A 67 6.110 -12.871 -14.544 1.00 12.45 C ATOM 1090 C ASP A 67 5.972 -13.220 -13.065 1.00 24.20 C ATOM 1091 O ASP A 67 4.874 -13.495 -12.582 1.00 10.33 O ATOM 1092 CB ASP A 67 5.111 -11.773 -14.916 1.00 25.42 C ATOM 1093 CG ASP A 67 3.675 -12.191 -14.671 1.00 13.41 C ATOM 1094 OD1 ASP A 67 3.281 -13.273 -15.152 1.00 65.44 O ATOM 1095 OD2 ASP A 67 2.943 -11.434 -13.998 1.00 41.25 O ATOM 0 HA ASP A 67 7.122 -12.506 -14.721 1.00 12.45 H new ATOM 0 HB2 ASP A 67 5.329 -10.876 -14.337 1.00 25.42 H new ATOM 0 HB3 ASP A 67 5.236 -11.512 -15.967 1.00 25.42 H new ATOM 1100 N TRP A 68 7.094 -13.209 -12.353 1.00 75.13 N ATOM 1101 CA TRP A 68 7.098 -13.526 -10.930 1.00 20.33 C ATOM 1102 C TRP A 68 7.409 -12.288 -10.097 1.00 10.41 C ATOM 1103 O TRP A 68 7.573 -11.191 -10.633 1.00 65.22 O ATOM 1104 CB TRP A 68 8.121 -14.625 -10.634 1.00 53.41 C ATOM 1105 CG TRP A 68 7.646 -15.621 -9.620 1.00 3.33 C ATOM 1106 CD1 TRP A 68 8.118 -15.784 -8.348 1.00 54.43 C ATOM 1107 CD2 TRP A 68 6.609 -16.592 -9.793 1.00 21.42 C ATOM 1108 NE1 TRP A 68 7.436 -16.798 -7.721 1.00 32.14 N ATOM 1109 CE2 TRP A 68 6.505 -17.310 -8.585 1.00 14.20 C ATOM 1110 CE3 TRP A 68 5.757 -16.925 -10.849 1.00 42.14 C ATOM 1111 CZ2 TRP A 68 5.584 -18.339 -8.408 1.00 54.21 C ATOM 1112 CZ3 TRP A 68 4.844 -17.947 -10.672 1.00 52.43 C ATOM 1113 CH2 TRP A 68 4.762 -18.643 -9.459 1.00 61.33 C ATOM 0 H TRP A 68 8.011 -12.984 -12.738 1.00 75.13 H new ATOM 0 HA TRP A 68 6.104 -13.882 -10.660 1.00 20.33 H new ATOM 0 HB2 TRP A 68 8.361 -15.147 -11.560 1.00 53.41 H new ATOM 0 HB3 TRP A 68 9.043 -14.166 -10.278 1.00 53.41 H new ATOM 0 HD1 TRP A 68 8.910 -15.201 -7.902 1.00 54.43 H new ATOM 0 HE1 TRP A 68 7.597 -17.118 -6.766 1.00 32.14 H new ATOM 0 HE3 TRP A 68 5.811 -16.393 -11.787 1.00 42.14 H new ATOM 0 HZ2 TRP A 68 5.521 -18.878 -7.474 1.00 54.21 H new ATOM 0 HZ3 TRP A 68 4.182 -18.214 -11.483 1.00 52.43 H new ATOM 0 HH2 TRP A 68 4.036 -19.435 -9.351 1.00 61.33 H new ATOM 1124 N THR A 69 7.489 -12.468 -8.782 1.00 72.12 N ATOM 1125 CA THR A 69 7.779 -11.365 -7.875 1.00 42.45 C ATOM 1126 C THR A 69 9.011 -11.659 -7.028 1.00 22.55 C ATOM 1127 O THR A 69 9.233 -12.798 -6.613 1.00 40.42 O ATOM 1128 CB THR A 69 6.587 -11.074 -6.945 1.00 11.34 C ATOM 1129 OG1 THR A 69 6.769 -11.743 -5.692 1.00 11.33 O ATOM 1130 CG2 THR A 69 5.281 -11.525 -7.581 1.00 51.30 C ATOM 0 H THR A 69 7.357 -13.368 -8.321 1.00 72.12 H new ATOM 0 HA THR A 69 7.969 -10.488 -8.494 1.00 42.45 H new ATOM 0 HB THR A 69 6.539 -9.998 -6.779 1.00 11.34 H new ATOM 0 HG1 THR A 69 6.008 -11.552 -5.105 1.00 11.33 H new ATOM 0 HG21 THR A 69 4.454 -11.309 -6.905 1.00 51.30 H new ATOM 0 HG22 THR A 69 5.131 -10.993 -8.520 1.00 51.30 H new ATOM 0 HG23 THR A 69 5.321 -12.597 -7.774 1.00 51.30 H new ATOM 1138 N ILE A 70 9.809 -10.628 -6.772 1.00 52.24 N ATOM 1139 CA ILE A 70 11.018 -10.777 -5.972 1.00 34.22 C ATOM 1140 C ILE A 70 10.987 -9.859 -4.754 1.00 64.43 C ATOM 1141 O ILE A 70 10.876 -8.640 -4.885 1.00 25.32 O ATOM 1142 CB ILE A 70 12.281 -10.474 -6.798 1.00 43.32 C ATOM 1143 CG1 ILE A 70 13.530 -10.593 -5.923 1.00 4.13 C ATOM 1144 CG2 ILE A 70 12.190 -9.086 -7.415 1.00 3.23 C ATOM 1145 CD1 ILE A 70 13.686 -11.950 -5.274 1.00 22.43 C ATOM 0 H ILE A 70 9.640 -9.680 -7.107 1.00 52.24 H new ATOM 0 HA ILE A 70 11.052 -11.815 -5.641 1.00 34.22 H new ATOM 0 HB ILE A 70 12.354 -11.204 -7.604 1.00 43.32 H new ATOM 0 HG12 ILE A 70 14.411 -10.387 -6.531 1.00 4.13 H new ATOM 0 HG13 ILE A 70 13.493 -9.830 -5.146 1.00 4.13 H new ATOM 0 HG21 ILE A 70 13.090 -8.886 -7.996 1.00 3.23 H new ATOM 0 HG22 ILE A 70 11.318 -9.034 -8.067 1.00 3.23 H new ATOM 0 HG23 ILE A 70 12.096 -8.342 -6.624 1.00 3.23 H new ATOM 0 HD11 ILE A 70 14.593 -11.962 -4.669 1.00 22.43 H new ATOM 0 HD12 ILE A 70 12.823 -12.151 -4.639 1.00 22.43 H new ATOM 0 HD13 ILE A 70 13.755 -12.717 -6.046 1.00 22.43 H new ATOM 1157 N VAL A 71 11.089 -10.454 -3.569 1.00 53.45 N ATOM 1158 CA VAL A 71 11.076 -9.690 -2.328 1.00 2.34 C ATOM 1159 C VAL A 71 12.489 -9.304 -1.905 1.00 64.13 C ATOM 1160 O VAL A 71 13.385 -10.147 -1.854 1.00 45.33 O ATOM 1161 CB VAL A 71 10.410 -10.483 -1.188 1.00 11.33 C ATOM 1162 CG1 VAL A 71 8.956 -10.778 -1.522 1.00 33.44 C ATOM 1163 CG2 VAL A 71 11.175 -11.769 -0.916 1.00 2.02 C ATOM 0 H VAL A 71 11.181 -11.462 -3.443 1.00 53.45 H new ATOM 0 HA VAL A 71 10.497 -8.786 -2.519 1.00 2.34 H new ATOM 0 HB VAL A 71 10.434 -9.875 -0.283 1.00 11.33 H new ATOM 0 HG11 VAL A 71 8.502 -11.339 -0.705 1.00 33.44 H new ATOM 0 HG12 VAL A 71 8.418 -9.841 -1.662 1.00 33.44 H new ATOM 0 HG13 VAL A 71 8.905 -11.366 -2.438 1.00 33.44 H new ATOM 0 HG21 VAL A 71 10.690 -12.317 -0.108 1.00 2.02 H new ATOM 0 HG22 VAL A 71 11.185 -12.384 -1.816 1.00 2.02 H new ATOM 0 HG23 VAL A 71 12.199 -11.530 -0.629 1.00 2.02 H new ATOM 1173 N VAL A 72 12.682 -8.024 -1.603 1.00 22.25 N ATOM 1174 CA VAL A 72 13.987 -7.526 -1.183 1.00 35.14 C ATOM 1175 C VAL A 72 13.910 -6.877 0.195 1.00 75.22 C ATOM 1176 O VAL A 72 13.097 -5.982 0.426 1.00 51.32 O ATOM 1177 CB VAL A 72 14.547 -6.504 -2.189 1.00 5.21 C ATOM 1178 CG1 VAL A 72 15.990 -6.158 -1.851 1.00 15.42 C ATOM 1179 CG2 VAL A 72 14.438 -7.039 -3.609 1.00 13.04 C ATOM 0 H VAL A 72 11.952 -7.313 -1.641 1.00 22.25 H new ATOM 0 HA VAL A 72 14.655 -8.386 -1.139 1.00 35.14 H new ATOM 0 HB VAL A 72 13.954 -5.592 -2.122 1.00 5.21 H new ATOM 0 HG11 VAL A 72 16.369 -5.434 -2.573 1.00 15.42 H new ATOM 0 HG12 VAL A 72 16.037 -5.730 -0.849 1.00 15.42 H new ATOM 0 HG13 VAL A 72 16.599 -7.061 -1.888 1.00 15.42 H new ATOM 0 HG21 VAL A 72 14.838 -6.303 -4.307 1.00 13.04 H new ATOM 0 HG22 VAL A 72 15.006 -7.966 -3.693 1.00 13.04 H new ATOM 0 HG23 VAL A 72 13.392 -7.232 -3.846 1.00 13.04 H new ATOM 1189 N ARG A 73 14.761 -7.335 1.107 1.00 40.22 N ATOM 1190 CA ARG A 73 14.789 -6.799 2.463 1.00 62.34 C ATOM 1191 C ARG A 73 15.910 -5.776 2.620 1.00 52.33 C ATOM 1192 O ARG A 73 17.089 -6.106 2.497 1.00 24.31 O ATOM 1193 CB ARG A 73 14.971 -7.930 3.477 1.00 60.23 C ATOM 1194 CG ARG A 73 16.124 -8.864 3.147 1.00 3.14 C ATOM 1195 CD ARG A 73 17.002 -9.116 4.364 1.00 52.25 C ATOM 1196 NE ARG A 73 16.485 -10.198 5.197 1.00 53.11 N ATOM 1197 CZ ARG A 73 17.084 -10.624 6.303 1.00 11.13 C ATOM 1198 NH1 ARG A 73 18.215 -10.062 6.707 1.00 13.13 N ATOM 1199 NH2 ARG A 73 16.551 -11.614 7.008 1.00 5.04 N ATOM 0 H ARG A 73 15.440 -8.076 0.932 1.00 40.22 H new ATOM 0 HA ARG A 73 13.837 -6.301 2.650 1.00 62.34 H new ATOM 0 HB2 ARG A 73 15.135 -7.498 4.464 1.00 60.23 H new ATOM 0 HB3 ARG A 73 14.049 -8.509 3.532 1.00 60.23 H new ATOM 0 HG2 ARG A 73 15.732 -9.811 2.777 1.00 3.14 H new ATOM 0 HG3 ARG A 73 16.725 -8.433 2.346 1.00 3.14 H new ATOM 0 HD2 ARG A 73 18.013 -9.361 4.037 1.00 52.25 H new ATOM 0 HD3 ARG A 73 17.071 -8.204 4.956 1.00 52.25 H new ATOM 0 HE ARG A 73 15.616 -10.651 4.914 1.00 53.11 H new ATOM 0 HH11 ARG A 73 18.627 -9.300 6.168 1.00 13.13 H new ATOM 0 HH12 ARG A 73 18.673 -10.391 7.557 1.00 13.13 H new ATOM 0 HH21 ARG A 73 15.681 -12.048 6.700 1.00 5.04 H new ATOM 0 HH22 ARG A 73 17.012 -11.941 7.857 1.00 5.04 H new ATOM 1213 N LYS A 74 15.533 -4.531 2.891 1.00 0.21 N ATOM 1214 CA LYS A 74 16.505 -3.458 3.066 1.00 53.30 C ATOM 1215 C LYS A 74 17.202 -3.570 4.418 1.00 60.11 C ATOM 1216 O LYS A 74 16.621 -4.053 5.390 1.00 72.01 O ATOM 1217 CB LYS A 74 15.818 -2.095 2.946 1.00 32.42 C ATOM 1218 CG LYS A 74 15.333 -1.780 1.542 1.00 61.03 C ATOM 1219 CD LYS A 74 14.026 -1.006 1.564 1.00 50.44 C ATOM 1220 CE LYS A 74 12.896 -1.836 2.154 1.00 43.42 C ATOM 1221 NZ LYS A 74 11.979 -2.353 1.101 1.00 64.14 N ATOM 0 H LYS A 74 14.561 -4.240 2.994 1.00 0.21 H new ATOM 0 HA LYS A 74 17.256 -3.550 2.281 1.00 53.30 H new ATOM 0 HB2 LYS A 74 14.970 -2.064 3.630 1.00 32.42 H new ATOM 0 HB3 LYS A 74 16.513 -1.318 3.264 1.00 32.42 H new ATOM 0 HG2 LYS A 74 16.091 -1.200 1.016 1.00 61.03 H new ATOM 0 HG3 LYS A 74 15.198 -2.708 0.986 1.00 61.03 H new ATOM 0 HD2 LYS A 74 14.152 -0.094 2.148 1.00 50.44 H new ATOM 0 HD3 LYS A 74 13.765 -0.702 0.550 1.00 50.44 H new ATOM 0 HE2 LYS A 74 13.314 -2.672 2.714 1.00 43.42 H new ATOM 0 HE3 LYS A 74 12.331 -1.229 2.862 1.00 43.42 H new ATOM 0 HZ1 LYS A 74 11.160 -2.812 1.549 1.00 64.14 H new ATOM 0 HZ2 LYS A 74 11.653 -1.564 0.507 1.00 64.14 H new ATOM 0 HZ3 LYS A 74 12.483 -3.045 0.511 1.00 64.14 H new ATOM 1235 N LYS A 75 18.451 -3.120 4.473 1.00 31.05 N ATOM 1236 CA LYS A 75 19.228 -3.167 5.707 1.00 75.04 C ATOM 1237 C LYS A 75 20.619 -2.579 5.496 1.00 1.11 C ATOM 1238 O LYS A 75 20.935 -2.080 4.417 1.00 43.05 O ATOM 1239 CB LYS A 75 19.342 -4.609 6.207 1.00 50.22 C ATOM 1240 CG LYS A 75 18.744 -4.823 7.587 1.00 61.24 C ATOM 1241 CD LYS A 75 19.695 -5.587 8.494 1.00 55.44 C ATOM 1242 CE LYS A 75 19.565 -7.089 8.298 1.00 63.41 C ATOM 1243 NZ LYS A 75 20.476 -7.847 9.201 1.00 54.31 N ATOM 0 H LYS A 75 18.947 -2.718 3.677 1.00 31.05 H new ATOM 0 HA LYS A 75 18.710 -2.569 6.457 1.00 75.04 H new ATOM 0 HB2 LYS A 75 18.845 -5.271 5.498 1.00 50.22 H new ATOM 0 HB3 LYS A 75 20.393 -4.896 6.227 1.00 50.22 H new ATOM 0 HG2 LYS A 75 18.508 -3.858 8.036 1.00 61.24 H new ATOM 0 HG3 LYS A 75 17.806 -5.371 7.497 1.00 61.24 H new ATOM 0 HD2 LYS A 75 20.721 -5.280 8.289 1.00 55.44 H new ATOM 0 HD3 LYS A 75 19.488 -5.335 9.534 1.00 55.44 H new ATOM 0 HE2 LYS A 75 18.535 -7.392 8.484 1.00 63.41 H new ATOM 0 HE3 LYS A 75 19.789 -7.341 7.261 1.00 63.41 H new ATOM 0 HZ1 LYS A 75 20.358 -8.867 9.037 1.00 54.31 H new ATOM 0 HZ2 LYS A 75 21.461 -7.577 9.006 1.00 54.31 H new ATOM 0 HZ3 LYS A 75 20.246 -7.627 10.191 1.00 54.31 H new