USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 645 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.052 K(o=-0.052,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 27 SER OG : rot 51:sc= 1.23 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00528) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.16) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.919 K(o=-0.92,f=-1.6) USER MOD Single : A 58 MET CE :methyl 175:sc= -0.0858 (180deg=-0.146) USER MOD Single : A 64 GLN : amide:sc= 1.18 K(o=1.2,f=-0.47) USER MOD Single : A 65 HIS : no HD1:sc= 0.611 K(o=0.61,f=-6!) USER MOD Single : A 67 THR OG1 : rot -88:sc= 0.542 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.361 (180deg=-1.71!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0962 (180deg=-0.597) USER MOD Single : A 75 ASN : amide:sc= -0.848 X(o=-0.85,f=-0.81) USER MOD Single : A 79 THR OG1 : rot 10:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.885 7.047 0.120 1.00 71.25 N ATOM 23 CA ARG A 3 -11.611 6.356 -0.036 1.00 60.13 C ATOM 24 C ARG A 3 -10.869 6.345 1.299 1.00 14.20 C ATOM 25 O ARG A 3 -11.226 7.096 2.205 1.00 40.21 O ATOM 26 CB ARG A 3 -10.765 6.894 -1.210 1.00 41.25 C ATOM 27 CG ARG A 3 -10.482 8.406 -1.278 1.00 63.25 C ATOM 28 CD ARG A 3 -9.112 8.615 -1.955 1.00 54.31 C ATOM 29 NE ARG A 3 -8.810 10.026 -2.263 1.00 54.40 N ATOM 30 CZ ARG A 3 -8.301 10.955 -1.442 1.00 3.30 C ATOM 31 NH1 ARG A 3 -8.189 10.729 -0.139 1.00 43.42 N ATOM 32 NH2 ARG A 3 -7.908 12.125 -1.926 1.00 71.31 N ATOM 0 HA ARG A 3 -11.814 5.322 -0.316 1.00 60.13 H new ATOM 0 HB2 ARG A 3 -9.805 6.377 -1.191 1.00 41.25 H new ATOM 0 HB3 ARG A 3 -11.263 6.608 -2.136 1.00 41.25 H new ATOM 0 HG2 ARG A 3 -11.265 8.913 -1.842 1.00 63.25 H new ATOM 0 HG3 ARG A 3 -10.480 8.837 -0.277 1.00 63.25 H new ATOM 0 HD2 ARG A 3 -8.332 8.220 -1.305 1.00 54.31 H new ATOM 0 HD3 ARG A 3 -9.081 8.036 -2.878 1.00 54.31 H new ATOM 0 HE ARG A 3 -9.013 10.331 -3.215 1.00 54.40 H new ATOM 0 HH11 ARG A 3 -8.493 9.837 0.252 1.00 43.42 H new ATOM 0 HH12 ARG A 3 -7.799 11.447 0.472 1.00 43.42 H new ATOM 0 HH21 ARG A 3 -7.993 12.319 -2.924 1.00 71.31 H new ATOM 0 HH22 ARG A 3 -7.521 12.832 -1.301 1.00 71.31 H new ATOM 46 N PHE A 4 -9.859 5.494 1.422 1.00 75.03 N ATOM 47 CA PHE A 4 -8.984 5.306 2.583 1.00 73.23 C ATOM 48 C PHE A 4 -7.560 5.273 2.032 1.00 24.14 C ATOM 49 O PHE A 4 -7.391 5.183 0.808 1.00 43.52 O ATOM 50 CB PHE A 4 -9.303 3.978 3.281 1.00 44.43 C ATOM 51 CG PHE A 4 -10.626 3.921 4.016 1.00 62.45 C ATOM 52 CD1 PHE A 4 -11.829 3.717 3.313 1.00 4.43 C ATOM 53 CD2 PHE A 4 -10.647 4.024 5.417 1.00 21.11 C ATOM 54 CE1 PHE A 4 -13.051 3.655 4.006 1.00 31.20 C ATOM 55 CE2 PHE A 4 -11.866 3.954 6.111 1.00 70.51 C ATOM 56 CZ PHE A 4 -13.069 3.781 5.406 1.00 44.30 C ATOM 0 H PHE A 4 -9.607 4.867 0.658 1.00 75.03 H new ATOM 0 HA PHE A 4 -9.118 6.102 3.315 1.00 73.23 H new ATOM 0 HB2 PHE A 4 -9.289 3.184 2.534 1.00 44.43 H new ATOM 0 HB3 PHE A 4 -8.505 3.761 3.991 1.00 44.43 H new ATOM 0 HD1 PHE A 4 -11.813 3.608 2.239 1.00 4.43 H new ATOM 0 HD2 PHE A 4 -9.724 4.157 5.961 1.00 21.11 H new ATOM 0 HE1 PHE A 4 -13.974 3.511 3.464 1.00 31.20 H new ATOM 0 HE2 PHE A 4 -11.879 4.033 7.188 1.00 70.51 H new ATOM 0 HZ PHE A 4 -14.007 3.745 5.940 1.00 44.30 H new ATOM 66 N ILE A 5 -6.544 5.405 2.889 1.00 25.14 N ATOM 67 CA ILE A 5 -5.148 5.397 2.472 1.00 44.11 C ATOM 68 C ILE A 5 -4.355 4.425 3.339 1.00 21.45 C ATOM 69 O ILE A 5 -4.504 4.377 4.563 1.00 1.24 O ATOM 70 CB ILE A 5 -4.560 6.826 2.518 1.00 62.04 C ATOM 71 CG1 ILE A 5 -5.269 7.770 1.521 1.00 14.34 C ATOM 72 CG2 ILE A 5 -3.050 6.882 2.189 1.00 64.35 C ATOM 73 CD1 ILE A 5 -5.407 9.178 2.099 1.00 70.31 C ATOM 0 H ILE A 5 -6.672 5.521 3.894 1.00 25.14 H new ATOM 0 HA ILE A 5 -5.081 5.056 1.439 1.00 44.11 H new ATOM 0 HB ILE A 5 -4.719 7.147 3.547 1.00 62.04 H new ATOM 0 HG12 ILE A 5 -4.705 7.810 0.589 1.00 14.34 H new ATOM 0 HG13 ILE A 5 -6.256 7.374 1.280 1.00 14.34 H new ATOM 0 HG21 ILE A 5 -2.705 7.915 2.240 1.00 64.35 H new ATOM 0 HG22 ILE A 5 -2.498 6.279 2.910 1.00 64.35 H new ATOM 0 HG23 ILE A 5 -2.882 6.492 1.185 1.00 64.35 H new ATOM 0 HD11 ILE A 5 -5.909 9.821 1.376 1.00 70.31 H new ATOM 0 HD12 ILE A 5 -5.992 9.138 3.018 1.00 70.31 H new ATOM 0 HD13 ILE A 5 -4.418 9.581 2.316 1.00 70.31 H new ATOM 85 N VAL A 6 -3.498 3.660 2.676 1.00 2.32 N ATOM 86 CA VAL A 6 -2.604 2.676 3.254 1.00 62.14 C ATOM 87 C VAL A 6 -1.232 3.352 3.247 1.00 50.40 C ATOM 88 O VAL A 6 -0.754 3.792 2.194 1.00 10.23 O ATOM 89 CB VAL A 6 -2.675 1.386 2.413 1.00 41.45 C ATOM 90 CG1 VAL A 6 -1.526 0.397 2.645 1.00 51.42 C ATOM 91 CG2 VAL A 6 -4.021 0.671 2.624 1.00 63.14 C ATOM 0 H VAL A 6 -3.406 3.716 1.662 1.00 2.32 H new ATOM 0 HA VAL A 6 -2.855 2.372 4.270 1.00 62.14 H new ATOM 0 HB VAL A 6 -2.577 1.723 1.381 1.00 41.45 H new ATOM 0 HG11 VAL A 6 -1.665 -0.477 2.009 1.00 51.42 H new ATOM 0 HG12 VAL A 6 -0.578 0.877 2.401 1.00 51.42 H new ATOM 0 HG13 VAL A 6 -1.518 0.088 3.690 1.00 51.42 H new ATOM 0 HG21 VAL A 6 -4.049 -0.237 2.021 1.00 63.14 H new ATOM 0 HG22 VAL A 6 -4.134 0.411 3.677 1.00 63.14 H new ATOM 0 HG23 VAL A 6 -4.835 1.331 2.324 1.00 63.14 H new ATOM 101 N PHE A 7 -0.662 3.529 4.436 1.00 75.33 N ATOM 102 CA PHE A 7 0.639 4.127 4.662 1.00 61.13 C ATOM 103 C PHE A 7 1.643 2.982 4.641 1.00 63.14 C ATOM 104 O PHE A 7 1.422 1.974 5.315 1.00 31.13 O ATOM 105 CB PHE A 7 0.638 4.785 6.054 1.00 42.14 C ATOM 106 CG PHE A 7 1.952 5.407 6.500 1.00 1.15 C ATOM 107 CD1 PHE A 7 3.061 4.591 6.788 1.00 2.32 C ATOM 108 CD2 PHE A 7 2.073 6.799 6.666 1.00 65.20 C ATOM 109 CE1 PHE A 7 4.308 5.155 7.073 1.00 54.21 C ATOM 110 CE2 PHE A 7 3.295 7.363 7.065 1.00 64.35 C ATOM 111 CZ PHE A 7 4.426 6.544 7.209 1.00 74.55 C ATOM 0 H PHE A 7 -1.119 3.245 5.302 1.00 75.33 H new ATOM 0 HA PHE A 7 0.883 4.880 3.912 1.00 61.13 H new ATOM 0 HB2 PHE A 7 -0.130 5.558 6.067 1.00 42.14 H new ATOM 0 HB3 PHE A 7 0.347 4.034 6.788 1.00 42.14 H new ATOM 0 HD1 PHE A 7 2.948 3.517 6.789 1.00 2.32 H new ATOM 0 HD2 PHE A 7 1.221 7.437 6.485 1.00 65.20 H new ATOM 0 HE1 PHE A 7 5.176 4.523 7.188 1.00 54.21 H new ATOM 0 HE2 PHE A 7 3.365 8.423 7.260 1.00 64.35 H new ATOM 0 HZ PHE A 7 5.388 6.985 7.425 1.00 74.55 H new ATOM 121 N VAL A 8 2.754 3.131 3.922 1.00 24.51 N ATOM 122 CA VAL A 8 3.803 2.120 3.846 1.00 45.01 C ATOM 123 C VAL A 8 5.162 2.824 3.905 1.00 21.13 C ATOM 124 O VAL A 8 5.345 3.801 3.170 1.00 31.22 O ATOM 125 CB VAL A 8 3.664 1.272 2.562 1.00 12.10 C ATOM 126 CG1 VAL A 8 4.527 0.010 2.660 1.00 42.15 C ATOM 127 CG2 VAL A 8 2.220 0.838 2.263 1.00 44.25 C ATOM 0 H VAL A 8 2.952 3.966 3.371 1.00 24.51 H new ATOM 0 HA VAL A 8 3.714 1.433 4.688 1.00 45.01 H new ATOM 0 HB VAL A 8 3.996 1.918 1.749 1.00 12.10 H new ATOM 0 HG11 VAL A 8 4.418 -0.577 1.748 1.00 42.15 H new ATOM 0 HG12 VAL A 8 5.572 0.293 2.787 1.00 42.15 H new ATOM 0 HG13 VAL A 8 4.206 -0.585 3.515 1.00 42.15 H new ATOM 0 HG21 VAL A 8 2.200 0.247 1.348 1.00 44.25 H new ATOM 0 HG22 VAL A 8 1.842 0.238 3.091 1.00 44.25 H new ATOM 0 HG23 VAL A 8 1.593 1.721 2.138 1.00 44.25 H new ATOM 137 N GLY A 9 6.108 2.390 4.756 1.00 73.44 N ATOM 138 CA GLY A 9 7.440 3.004 4.833 1.00 4.13 C ATOM 139 C GLY A 9 8.544 1.959 5.028 1.00 23.12 C ATOM 140 O GLY A 9 8.259 0.762 5.104 1.00 42.42 O ATOM 0 H GLY A 9 5.971 1.613 5.402 1.00 73.44 H new ATOM 0 HA2 GLY A 9 7.632 3.568 3.921 1.00 4.13 H new ATOM 0 HA3 GLY A 9 7.464 3.715 5.659 1.00 4.13 H new ATOM 144 N SER A 10 9.797 2.421 5.114 1.00 34.34 N ATOM 145 CA SER A 10 11.025 1.630 5.268 1.00 0.43 C ATOM 146 C SER A 10 11.386 0.888 3.972 1.00 50.12 C ATOM 147 O SER A 10 12.039 -0.156 3.972 1.00 42.31 O ATOM 148 CB SER A 10 10.958 0.701 6.489 1.00 71.03 C ATOM 149 OG SER A 10 12.006 1.014 7.384 1.00 53.22 O ATOM 0 H SER A 10 9.993 3.421 5.075 1.00 34.34 H new ATOM 0 HA SER A 10 11.841 2.326 5.462 1.00 0.43 H new ATOM 0 HB2 SER A 10 9.995 0.810 6.989 1.00 71.03 H new ATOM 0 HB3 SER A 10 11.036 -0.339 6.172 1.00 71.03 H new ATOM 0 HG SER A 10 11.959 0.421 8.163 1.00 53.22 H new ATOM 155 N LEU A 11 10.943 1.417 2.833 1.00 63.21 N ATOM 156 CA LEU A 11 11.176 0.815 1.532 1.00 74.55 C ATOM 157 C LEU A 11 12.660 0.821 1.140 1.00 12.20 C ATOM 158 O LEU A 11 13.374 1.768 1.490 1.00 52.33 O ATOM 159 CB LEU A 11 10.332 1.533 0.471 1.00 53.35 C ATOM 160 CG LEU A 11 8.876 1.040 0.420 1.00 73.32 C ATOM 161 CD1 LEU A 11 8.117 1.178 1.741 1.00 74.21 C ATOM 162 CD2 LEU A 11 8.103 1.867 -0.595 1.00 11.02 C ATOM 0 H LEU A 11 10.407 2.284 2.792 1.00 63.21 H new ATOM 0 HA LEU A 11 10.874 -0.231 1.592 1.00 74.55 H new ATOM 0 HB2 LEU A 11 10.339 2.604 0.674 1.00 53.35 H new ATOM 0 HB3 LEU A 11 10.792 1.391 -0.507 1.00 53.35 H new ATOM 0 HG LEU A 11 8.940 -0.018 0.166 1.00 73.32 H new ATOM 0 HD11 LEU A 11 7.100 0.807 1.616 1.00 74.21 H new ATOM 0 HD12 LEU A 11 8.622 0.598 2.513 1.00 74.21 H new ATOM 0 HD13 LEU A 11 8.088 2.227 2.036 1.00 74.21 H new ATOM 0 HD21 LEU A 11 7.070 1.521 -0.635 1.00 11.02 H new ATOM 0 HD22 LEU A 11 8.123 2.916 -0.301 1.00 11.02 H new ATOM 0 HD23 LEU A 11 8.561 1.757 -1.578 1.00 11.02 H new ATOM 174 N PRO A 12 13.102 -0.187 0.362 1.00 70.10 N ATOM 175 CA PRO A 12 14.478 -0.326 -0.114 1.00 62.01 C ATOM 176 C PRO A 12 14.850 0.787 -1.094 1.00 53.11 C ATOM 177 O PRO A 12 13.985 1.534 -1.555 1.00 60.21 O ATOM 178 CB PRO A 12 14.543 -1.692 -0.819 1.00 51.03 C ATOM 179 CG PRO A 12 13.092 -2.017 -1.152 1.00 3.03 C ATOM 180 CD PRO A 12 12.296 -1.320 -0.067 1.00 3.44 C ATOM 0 HA PRO A 12 15.181 -0.256 0.716 1.00 62.01 H new ATOM 0 HB2 PRO A 12 15.156 -1.646 -1.719 1.00 51.03 H new ATOM 0 HB3 PRO A 12 14.982 -2.452 -0.173 1.00 51.03 H new ATOM 0 HG2 PRO A 12 12.819 -1.652 -2.142 1.00 3.03 H new ATOM 0 HG3 PRO A 12 12.914 -3.092 -1.148 1.00 3.03 H new ATOM 0 HD2 PRO A 12 11.329 -0.989 -0.445 1.00 3.44 H new ATOM 0 HD3 PRO A 12 12.098 -1.995 0.766 1.00 3.44 H new ATOM 188 N ARG A 13 16.136 0.912 -1.421 1.00 63.15 N ATOM 189 CA ARG A 13 16.599 1.931 -2.365 1.00 72.10 C ATOM 190 C ARG A 13 16.118 1.552 -3.758 1.00 64.32 C ATOM 191 O ARG A 13 15.520 2.367 -4.449 1.00 55.13 O ATOM 192 CB ARG A 13 18.131 2.009 -2.390 1.00 0.04 C ATOM 193 CG ARG A 13 18.796 2.377 -1.065 1.00 70.13 C ATOM 194 CD ARG A 13 18.575 3.829 -0.652 1.00 62.12 C ATOM 195 NE ARG A 13 19.360 4.160 0.549 1.00 42.14 N ATOM 196 CZ ARG A 13 19.393 5.364 1.131 1.00 74.02 C ATOM 197 NH1 ARG A 13 18.643 6.353 0.647 1.00 21.41 N ATOM 198 NH2 ARG A 13 20.160 5.573 2.198 1.00 22.13 N ATOM 0 H ARG A 13 16.877 0.320 -1.046 1.00 63.15 H new ATOM 0 HA ARG A 13 16.203 2.898 -2.055 1.00 72.10 H new ATOM 0 HB2 ARG A 13 18.521 1.044 -2.716 1.00 0.04 H new ATOM 0 HB3 ARG A 13 18.427 2.742 -3.140 1.00 0.04 H new ATOM 0 HG2 ARG A 13 18.412 1.723 -0.282 1.00 70.13 H new ATOM 0 HG3 ARG A 13 19.867 2.189 -1.141 1.00 70.13 H new ATOM 0 HD2 ARG A 13 18.858 4.491 -1.470 1.00 62.12 H new ATOM 0 HD3 ARG A 13 17.516 3.999 -0.457 1.00 62.12 H new ATOM 0 HE ARG A 13 19.919 3.417 0.968 1.00 42.14 H new ATOM 0 HH11 ARG A 13 18.047 6.191 -0.164 1.00 21.41 H new ATOM 0 HH12 ARG A 13 18.665 7.273 1.088 1.00 21.41 H new ATOM 0 HH21 ARG A 13 20.726 4.813 2.576 1.00 22.13 H new ATOM 0 HH22 ARG A 13 20.182 6.493 2.638 1.00 22.13 H new ATOM 212 N ASP A 14 16.297 0.280 -4.118 1.00 53.34 N ATOM 213 CA ASP A 14 15.930 -0.304 -5.410 1.00 53.32 C ATOM 214 C ASP A 14 14.424 -0.444 -5.628 1.00 1.44 C ATOM 215 O ASP A 14 13.994 -1.082 -6.596 1.00 71.52 O ATOM 216 CB ASP A 14 16.631 -1.639 -5.596 1.00 73.12 C ATOM 217 CG ASP A 14 18.138 -1.485 -5.703 1.00 64.24 C ATOM 218 OD1 ASP A 14 18.604 -0.753 -6.602 1.00 11.31 O ATOM 219 OD2 ASP A 14 18.849 -2.079 -4.861 1.00 4.25 O ATOM 0 H ASP A 14 16.721 -0.402 -3.489 1.00 53.34 H new ATOM 0 HA ASP A 14 16.267 0.400 -6.170 1.00 53.32 H new ATOM 0 HB2 ASP A 14 16.393 -2.293 -4.757 1.00 73.12 H new ATOM 0 HB3 ASP A 14 16.252 -2.124 -6.496 1.00 73.12 H new ATOM 224 N ILE A 15 13.594 0.054 -4.706 1.00 63.02 N ATOM 225 CA ILE A 15 12.157 -0.040 -4.857 1.00 10.24 C ATOM 226 C ILE A 15 11.748 0.619 -6.181 1.00 43.03 C ATOM 227 O ILE A 15 12.181 1.722 -6.516 1.00 60.11 O ATOM 228 CB ILE A 15 11.428 0.540 -3.631 1.00 74.20 C ATOM 229 CG1 ILE A 15 9.942 0.145 -3.716 1.00 53.35 C ATOM 230 CG2 ILE A 15 11.618 2.052 -3.494 1.00 62.53 C ATOM 231 CD1 ILE A 15 9.663 -1.252 -3.182 1.00 54.11 C ATOM 0 H ILE A 15 13.901 0.523 -3.854 1.00 63.02 H new ATOM 0 HA ILE A 15 11.854 -1.086 -4.902 1.00 10.24 H new ATOM 0 HB ILE A 15 11.865 0.118 -2.726 1.00 74.20 H new ATOM 0 HG12 ILE A 15 9.348 0.867 -3.155 1.00 53.35 H new ATOM 0 HG13 ILE A 15 9.616 0.202 -4.755 1.00 53.35 H new ATOM 0 HG21 ILE A 15 11.083 2.408 -2.613 1.00 62.53 H new ATOM 0 HG22 ILE A 15 12.679 2.277 -3.389 1.00 62.53 H new ATOM 0 HG23 ILE A 15 11.227 2.550 -4.382 1.00 62.53 H new ATOM 0 HD11 ILE A 15 8.599 -1.469 -3.270 1.00 54.11 H new ATOM 0 HD12 ILE A 15 10.231 -1.982 -3.758 1.00 54.11 H new ATOM 0 HD13 ILE A 15 9.959 -1.307 -2.134 1.00 54.11 H new ATOM 243 N THR A 16 10.949 -0.104 -6.955 1.00 24.34 N ATOM 244 CA THR A 16 10.429 0.309 -8.244 1.00 10.03 C ATOM 245 C THR A 16 8.921 0.105 -8.224 1.00 11.24 C ATOM 246 O THR A 16 8.432 -0.748 -7.475 1.00 42.14 O ATOM 247 CB THR A 16 11.161 -0.453 -9.372 1.00 63.34 C ATOM 248 OG1 THR A 16 12.041 -1.458 -8.877 1.00 71.22 O ATOM 249 CG2 THR A 16 12.020 0.506 -10.189 1.00 34.24 C ATOM 0 H THR A 16 10.634 -1.036 -6.685 1.00 24.34 H new ATOM 0 HA THR A 16 10.613 1.365 -8.443 1.00 10.03 H new ATOM 0 HB THR A 16 10.377 -0.915 -9.972 1.00 63.34 H new ATOM 0 HG1 THR A 16 12.477 -1.910 -9.629 1.00 71.22 H new ATOM 0 HG21 THR A 16 12.529 -0.045 -10.980 1.00 34.24 H new ATOM 0 HG22 THR A 16 11.386 1.274 -10.632 1.00 34.24 H new ATOM 0 HG23 THR A 16 12.759 0.975 -9.540 1.00 34.24 H new ATOM 257 N ALA A 17 8.188 0.859 -9.051 1.00 10.24 N ATOM 258 CA ALA A 17 6.737 0.734 -9.126 1.00 3.42 C ATOM 259 C ALA A 17 6.358 -0.694 -9.498 1.00 61.13 C ATOM 260 O ALA A 17 5.321 -1.164 -9.059 1.00 74.30 O ATOM 261 CB ALA A 17 6.165 1.698 -10.164 1.00 35.42 C ATOM 0 H ALA A 17 8.581 1.562 -9.677 1.00 10.24 H new ATOM 0 HA ALA A 17 6.321 0.981 -8.149 1.00 3.42 H new ATOM 0 HB1 ALA A 17 5.081 1.588 -10.204 1.00 35.42 H new ATOM 0 HB2 ALA A 17 6.416 2.722 -9.887 1.00 35.42 H new ATOM 0 HB3 ALA A 17 6.589 1.472 -11.143 1.00 35.42 H new ATOM 267 N VAL A 18 7.198 -1.397 -10.261 1.00 71.55 N ATOM 268 CA VAL A 18 6.934 -2.774 -10.661 1.00 70.43 C ATOM 269 C VAL A 18 6.768 -3.652 -9.425 1.00 55.14 C ATOM 270 O VAL A 18 5.852 -4.479 -9.366 1.00 43.52 O ATOM 271 CB VAL A 18 8.088 -3.306 -11.543 1.00 10.13 C ATOM 272 CG1 VAL A 18 7.836 -4.757 -11.991 1.00 72.03 C ATOM 273 CG2 VAL A 18 8.303 -2.398 -12.762 1.00 22.42 C ATOM 0 H VAL A 18 8.079 -1.025 -10.617 1.00 71.55 H new ATOM 0 HA VAL A 18 6.012 -2.802 -11.241 1.00 70.43 H new ATOM 0 HB VAL A 18 8.994 -3.298 -10.937 1.00 10.13 H new ATOM 0 HG11 VAL A 18 8.667 -5.097 -12.609 1.00 72.03 H new ATOM 0 HG12 VAL A 18 7.749 -5.399 -11.114 1.00 72.03 H new ATOM 0 HG13 VAL A 18 6.912 -4.804 -12.568 1.00 72.03 H new ATOM 0 HG21 VAL A 18 9.119 -2.791 -13.369 1.00 22.42 H new ATOM 0 HG22 VAL A 18 7.391 -2.367 -13.358 1.00 22.42 H new ATOM 0 HG23 VAL A 18 8.552 -1.391 -12.426 1.00 22.42 H new ATOM 283 N GLU A 19 7.652 -3.459 -8.448 1.00 63.23 N ATOM 284 CA GLU A 19 7.677 -4.215 -7.212 1.00 34.12 C ATOM 285 C GLU A 19 6.417 -3.925 -6.408 1.00 53.41 C ATOM 286 O GLU A 19 5.800 -4.838 -5.868 1.00 2.44 O ATOM 287 CB GLU A 19 8.930 -3.881 -6.388 1.00 21.30 C ATOM 288 CG GLU A 19 10.203 -3.811 -7.240 1.00 53.10 C ATOM 289 CD GLU A 19 10.605 -5.131 -7.888 1.00 61.31 C ATOM 290 OE1 GLU A 19 10.965 -6.060 -7.131 1.00 74.21 O ATOM 291 OE2 GLU A 19 10.659 -5.198 -9.135 1.00 2.43 O ATOM 0 H GLU A 19 8.386 -2.753 -8.502 1.00 63.23 H new ATOM 0 HA GLU A 19 7.710 -5.277 -7.454 1.00 34.12 H new ATOM 0 HB2 GLU A 19 8.783 -2.926 -5.884 1.00 21.30 H new ATOM 0 HB3 GLU A 19 9.060 -4.635 -5.611 1.00 21.30 H new ATOM 0 HG2 GLU A 19 10.061 -3.066 -8.022 1.00 53.10 H new ATOM 0 HG3 GLU A 19 11.025 -3.463 -6.614 1.00 53.10 H new ATOM 298 N LEU A 20 6.034 -2.652 -6.334 1.00 52.54 N ATOM 299 CA LEU A 20 4.860 -2.199 -5.605 1.00 73.31 C ATOM 300 C LEU A 20 3.577 -2.697 -6.258 1.00 23.01 C ATOM 301 O LEU A 20 2.678 -3.153 -5.553 1.00 52.32 O ATOM 302 CB LEU A 20 4.875 -0.672 -5.523 1.00 5.40 C ATOM 303 CG LEU A 20 5.998 -0.116 -4.637 1.00 61.21 C ATOM 304 CD1 LEU A 20 5.854 1.398 -4.598 1.00 72.41 C ATOM 305 CD2 LEU A 20 5.982 -0.656 -3.202 1.00 42.31 C ATOM 0 H LEU A 20 6.544 -1.895 -6.789 1.00 52.54 H new ATOM 0 HA LEU A 20 4.889 -2.613 -4.597 1.00 73.31 H new ATOM 0 HB2 LEU A 20 4.980 -0.263 -6.528 1.00 5.40 H new ATOM 0 HB3 LEU A 20 3.915 -0.328 -5.138 1.00 5.40 H new ATOM 0 HG LEU A 20 6.946 -0.434 -5.072 1.00 61.21 H new ATOM 0 HD11 LEU A 20 6.641 1.822 -3.974 1.00 72.41 H new ATOM 0 HD12 LEU A 20 5.937 1.798 -5.609 1.00 72.41 H new ATOM 0 HD13 LEU A 20 4.881 1.660 -4.183 1.00 72.41 H new ATOM 0 HD21 LEU A 20 6.805 -0.217 -2.639 1.00 42.31 H new ATOM 0 HD22 LEU A 20 5.037 -0.396 -2.726 1.00 42.31 H new ATOM 0 HD23 LEU A 20 6.093 -1.740 -3.220 1.00 42.31 H new ATOM 317 N GLN A 21 3.470 -2.607 -7.583 1.00 3.14 N ATOM 318 CA GLN A 21 2.310 -3.064 -8.334 1.00 54.51 C ATOM 319 C GLN A 21 2.112 -4.540 -8.003 1.00 1.31 C ATOM 320 O GLN A 21 1.021 -4.961 -7.641 1.00 24.03 O ATOM 321 CB GLN A 21 2.565 -2.873 -9.841 1.00 24.23 C ATOM 322 CG GLN A 21 2.468 -1.417 -10.322 1.00 0.42 C ATOM 323 CD GLN A 21 1.047 -0.961 -10.627 1.00 1.14 C ATOM 324 OE1 GLN A 21 0.076 -1.532 -10.147 1.00 21.24 O ATOM 325 NE2 GLN A 21 0.902 0.079 -11.428 1.00 22.33 N ATOM 0 H GLN A 21 4.201 -2.207 -8.171 1.00 3.14 H new ATOM 0 HA GLN A 21 1.417 -2.496 -8.071 1.00 54.51 H new ATOM 0 HB2 GLN A 21 3.557 -3.257 -10.081 1.00 24.23 H new ATOM 0 HB3 GLN A 21 1.847 -3.475 -10.398 1.00 24.23 H new ATOM 0 HG2 GLN A 21 2.893 -0.764 -9.560 1.00 0.42 H new ATOM 0 HG3 GLN A 21 3.077 -1.299 -11.218 1.00 0.42 H new ATOM 0 HE21 GLN A 21 1.724 0.541 -11.818 1.00 22.33 H new ATOM 0 HE22 GLN A 21 -0.032 0.420 -11.657 1.00 22.33 H new ATOM 334 N ASN A 22 3.195 -5.316 -8.075 1.00 41.13 N ATOM 335 CA ASN A 22 3.205 -6.741 -7.805 1.00 32.35 C ATOM 336 C ASN A 22 2.874 -7.085 -6.349 1.00 40.52 C ATOM 337 O ASN A 22 2.109 -8.016 -6.104 1.00 14.53 O ATOM 338 CB ASN A 22 4.600 -7.241 -8.183 1.00 53.24 C ATOM 339 CG ASN A 22 4.767 -8.707 -7.868 1.00 32.05 C ATOM 340 OD1 ASN A 22 4.126 -9.539 -8.501 1.00 64.15 O ATOM 341 ND2 ASN A 22 5.680 -9.033 -6.979 1.00 63.02 N ATOM 0 H ASN A 22 4.113 -4.952 -8.331 1.00 41.13 H new ATOM 0 HA ASN A 22 2.425 -7.229 -8.390 1.00 32.35 H new ATOM 0 HB2 ASN A 22 4.771 -7.075 -9.247 1.00 53.24 H new ATOM 0 HB3 ASN A 22 5.352 -6.664 -7.645 1.00 53.24 H new ATOM 0 HD21 ASN A 22 5.881 -10.015 -6.791 1.00 63.02 H new ATOM 0 HD22 ASN A 22 6.187 -8.304 -6.478 1.00 63.02 H new ATOM 348 N HIS A 23 3.389 -6.330 -5.376 1.00 23.11 N ATOM 349 CA HIS A 23 3.128 -6.617 -3.965 1.00 30.22 C ATOM 350 C HIS A 23 1.731 -6.219 -3.488 1.00 2.31 C ATOM 351 O HIS A 23 1.245 -6.770 -2.500 1.00 74.13 O ATOM 352 CB HIS A 23 4.199 -5.990 -3.068 1.00 41.13 C ATOM 353 CG HIS A 23 4.932 -7.041 -2.277 1.00 24.42 C ATOM 354 ND1 HIS A 23 6.299 -7.301 -2.375 1.00 30.40 N ATOM 355 CD2 HIS A 23 4.369 -7.948 -1.428 1.00 54.54 C ATOM 356 CE1 HIS A 23 6.530 -8.390 -1.621 1.00 43.32 C ATOM 357 NE2 HIS A 23 5.390 -8.776 -1.016 1.00 23.13 N ATOM 0 H HIS A 23 3.986 -5.519 -5.539 1.00 23.11 H new ATOM 0 HA HIS A 23 3.173 -7.703 -3.882 1.00 30.22 H new ATOM 0 HB2 HIS A 23 4.908 -5.432 -3.680 1.00 41.13 H new ATOM 0 HB3 HIS A 23 3.735 -5.277 -2.387 1.00 41.13 H new ATOM 0 HD2 HIS A 23 3.331 -8.006 -1.137 1.00 54.54 H new ATOM 0 HE1 HIS A 23 7.486 -8.881 -1.516 1.00 43.32 H new ATOM 0 HE2 HIS A 23 5.298 -9.553 -0.361 1.00 23.13 H new ATOM 365 N PHE A 24 1.058 -5.289 -4.171 1.00 11.10 N ATOM 366 CA PHE A 24 -0.288 -4.851 -3.798 1.00 4.04 C ATOM 367 C PHE A 24 -1.347 -5.357 -4.783 1.00 15.03 C ATOM 368 O PHE A 24 -2.538 -5.110 -4.576 1.00 21.21 O ATOM 369 CB PHE A 24 -0.324 -3.347 -3.513 1.00 75.21 C ATOM 370 CG PHE A 24 0.416 -2.985 -2.232 1.00 53.11 C ATOM 371 CD1 PHE A 24 -0.247 -3.036 -0.987 1.00 44.11 C ATOM 372 CD2 PHE A 24 1.783 -2.655 -2.267 1.00 64.23 C ATOM 373 CE1 PHE A 24 0.451 -2.752 0.202 1.00 33.51 C ATOM 374 CE2 PHE A 24 2.477 -2.366 -1.083 1.00 22.42 C ATOM 375 CZ PHE A 24 1.810 -2.407 0.154 1.00 3.21 C ATOM 0 H PHE A 24 1.431 -4.820 -4.996 1.00 11.10 H new ATOM 0 HA PHE A 24 -0.560 -5.320 -2.852 1.00 4.04 H new ATOM 0 HB2 PHE A 24 0.120 -2.810 -4.351 1.00 75.21 H new ATOM 0 HB3 PHE A 24 -1.360 -3.018 -3.437 1.00 75.21 H new ATOM 0 HD1 PHE A 24 -1.295 -3.294 -0.946 1.00 44.11 H new ATOM 0 HD2 PHE A 24 2.302 -2.624 -3.213 1.00 64.23 H new ATOM 0 HE1 PHE A 24 -0.060 -2.800 1.152 1.00 33.51 H new ATOM 0 HE2 PHE A 24 3.526 -2.111 -1.122 1.00 22.42 H new ATOM 0 HZ PHE A 24 2.342 -2.174 1.064 1.00 3.21 H new ATOM 385 N LYS A 25 -0.949 -6.149 -5.782 1.00 3.13 N ATOM 386 CA LYS A 25 -1.770 -6.740 -6.818 1.00 3.31 C ATOM 387 C LYS A 25 -2.978 -7.505 -6.283 1.00 64.43 C ATOM 388 O LYS A 25 -4.024 -7.507 -6.931 1.00 1.41 O ATOM 389 CB LYS A 25 -0.838 -7.642 -7.649 1.00 64.31 C ATOM 390 CG LYS A 25 -1.242 -7.621 -9.113 1.00 63.13 C ATOM 391 CD LYS A 25 -0.268 -8.451 -9.959 1.00 54.34 C ATOM 392 CE LYS A 25 -0.686 -8.422 -11.431 1.00 3.41 C ATOM 393 NZ LYS A 25 0.401 -8.882 -12.320 1.00 14.44 N ATOM 0 H LYS A 25 0.032 -6.408 -5.887 1.00 3.13 H new ATOM 0 HA LYS A 25 -2.212 -5.953 -7.429 1.00 3.31 H new ATOM 0 HB2 LYS A 25 0.193 -7.303 -7.545 1.00 64.31 H new ATOM 0 HB3 LYS A 25 -0.877 -8.663 -7.270 1.00 64.31 H new ATOM 0 HG2 LYS A 25 -2.252 -8.015 -9.222 1.00 63.13 H new ATOM 0 HG3 LYS A 25 -1.260 -6.593 -9.475 1.00 63.13 H new ATOM 0 HD2 LYS A 25 0.743 -8.057 -9.853 1.00 54.34 H new ATOM 0 HD3 LYS A 25 -0.249 -9.480 -9.599 1.00 54.34 H new ATOM 0 HE2 LYS A 25 -1.563 -9.054 -11.572 1.00 3.41 H new ATOM 0 HE3 LYS A 25 -0.976 -7.408 -11.706 1.00 3.41 H new ATOM 0 HZ1 LYS A 25 0.079 -8.848 -13.308 1.00 14.44 H new ATOM 0 HZ2 LYS A 25 1.229 -8.264 -12.204 1.00 14.44 H new ATOM 0 HZ3 LYS A 25 0.661 -9.859 -12.074 1.00 14.44 H new ATOM 407 N ASN A 26 -2.870 -8.145 -5.113 1.00 64.35 N ATOM 408 CA ASN A 26 -3.985 -8.903 -4.539 1.00 40.22 C ATOM 409 C ASN A 26 -4.938 -7.959 -3.806 1.00 52.21 C ATOM 410 O ASN A 26 -6.157 -8.143 -3.860 1.00 42.25 O ATOM 411 CB ASN A 26 -3.475 -10.050 -3.654 1.00 11.00 C ATOM 412 CG ASN A 26 -2.591 -11.003 -4.454 1.00 21.50 C ATOM 413 OD1 ASN A 26 -2.876 -11.316 -5.606 1.00 34.11 O ATOM 414 ND2 ASN A 26 -1.460 -11.416 -3.916 1.00 21.31 N ATOM 0 H ASN A 26 -2.022 -8.152 -4.546 1.00 64.35 H new ATOM 0 HA ASN A 26 -4.553 -9.372 -5.342 1.00 40.22 H new ATOM 0 HB2 ASN A 26 -2.912 -9.644 -2.814 1.00 11.00 H new ATOM 0 HB3 ASN A 26 -4.321 -10.596 -3.236 1.00 11.00 H new ATOM 0 HD21 ASN A 26 -0.820 -11.997 -4.457 1.00 21.31 H new ATOM 0 HD22 ASN A 26 -1.225 -11.155 -2.958 1.00 21.31 H new ATOM 421 N SER A 27 -4.403 -6.948 -3.115 1.00 51.12 N ATOM 422 CA SER A 27 -5.175 -5.935 -2.387 1.00 4.32 C ATOM 423 C SER A 27 -5.935 -5.039 -3.372 1.00 44.21 C ATOM 424 O SER A 27 -6.947 -4.459 -3.000 1.00 21.41 O ATOM 425 CB SER A 27 -4.252 -5.113 -1.467 1.00 52.02 C ATOM 426 OG SER A 27 -2.904 -5.117 -1.905 1.00 54.30 O ATOM 0 H SER A 27 -3.395 -6.807 -3.044 1.00 51.12 H new ATOM 0 HA SER A 27 -5.910 -6.434 -1.755 1.00 4.32 H new ATOM 0 HB2 SER A 27 -4.612 -4.085 -1.421 1.00 52.02 H new ATOM 0 HB3 SER A 27 -4.303 -5.514 -0.455 1.00 52.02 H new ATOM 0 HG SER A 27 -2.868 -4.877 -2.854 1.00 54.30 H new ATOM 432 N SER A 28 -5.490 -4.949 -4.627 1.00 52.20 N ATOM 433 CA SER A 28 -6.122 -4.157 -5.672 1.00 50.41 C ATOM 434 C SER A 28 -6.335 -2.680 -5.279 1.00 51.04 C ATOM 435 O SER A 28 -7.480 -2.242 -5.110 1.00 3.51 O ATOM 436 CB SER A 28 -7.392 -4.896 -6.128 1.00 43.04 C ATOM 437 OG SER A 28 -6.991 -6.147 -6.674 1.00 35.22 O ATOM 0 H SER A 28 -4.656 -5.441 -4.948 1.00 52.20 H new ATOM 0 HA SER A 28 -5.452 -4.072 -6.528 1.00 50.41 H new ATOM 0 HB2 SER A 28 -8.070 -5.045 -5.288 1.00 43.04 H new ATOM 0 HB3 SER A 28 -7.930 -4.309 -6.872 1.00 43.04 H new ATOM 0 HG SER A 28 -7.782 -6.642 -6.972 1.00 35.22 H new ATOM 443 N PRO A 29 -5.249 -1.900 -5.113 1.00 0.42 N ATOM 444 CA PRO A 29 -5.313 -0.480 -4.775 1.00 4.35 C ATOM 445 C PRO A 29 -5.925 0.296 -5.936 1.00 24.22 C ATOM 446 O PRO A 29 -6.241 -0.261 -6.991 1.00 13.35 O ATOM 447 CB PRO A 29 -3.860 -0.050 -4.529 1.00 41.14 C ATOM 448 CG PRO A 29 -3.066 -1.004 -5.417 1.00 44.31 C ATOM 449 CD PRO A 29 -3.859 -2.299 -5.288 1.00 53.20 C ATOM 0 HA PRO A 29 -5.933 -0.288 -3.899 1.00 4.35 H new ATOM 0 HB2 PRO A 29 -3.695 0.991 -4.806 1.00 41.14 H new ATOM 0 HB3 PRO A 29 -3.582 -0.149 -3.480 1.00 41.14 H new ATOM 0 HG2 PRO A 29 -3.020 -0.656 -6.449 1.00 44.31 H new ATOM 0 HG3 PRO A 29 -2.038 -1.120 -5.073 1.00 44.31 H new ATOM 0 HD2 PRO A 29 -3.740 -2.920 -6.176 1.00 53.20 H new ATOM 0 HD3 PRO A 29 -3.511 -2.887 -4.439 1.00 53.20 H new ATOM 457 N ASP A 30 -6.162 1.577 -5.695 1.00 2.21 N ATOM 458 CA ASP A 30 -6.701 2.492 -6.686 1.00 5.43 C ATOM 459 C ASP A 30 -5.561 3.398 -7.155 1.00 41.24 C ATOM 460 O ASP A 30 -5.359 3.602 -8.356 1.00 31.10 O ATOM 461 CB ASP A 30 -7.860 3.315 -6.120 1.00 12.30 C ATOM 462 CG ASP A 30 -8.442 4.118 -7.273 1.00 63.13 C ATOM 463 OD1 ASP A 30 -9.194 3.511 -8.063 1.00 33.01 O ATOM 464 OD2 ASP A 30 -8.036 5.285 -7.455 1.00 44.32 O ATOM 0 H ASP A 30 -5.982 2.015 -4.792 1.00 2.21 H new ATOM 0 HA ASP A 30 -7.105 1.928 -7.527 1.00 5.43 H new ATOM 0 HB2 ASP A 30 -8.617 2.664 -5.683 1.00 12.30 H new ATOM 0 HB3 ASP A 30 -7.512 3.977 -5.327 1.00 12.30 H new ATOM 469 N GLN A 31 -4.755 3.880 -6.206 1.00 23.53 N ATOM 470 CA GLN A 31 -3.619 4.775 -6.427 1.00 22.10 C ATOM 471 C GLN A 31 -2.347 4.132 -5.886 1.00 3.31 C ATOM 472 O GLN A 31 -2.412 3.339 -4.948 1.00 64.24 O ATOM 473 CB GLN A 31 -3.904 6.075 -5.662 1.00 0.34 C ATOM 474 CG GLN A 31 -2.976 7.273 -5.908 1.00 42.33 C ATOM 475 CD GLN A 31 -3.293 7.977 -7.214 1.00 71.34 C ATOM 476 OE1 GLN A 31 -2.439 8.068 -8.092 1.00 41.31 O ATOM 477 NE2 GLN A 31 -4.492 8.512 -7.355 1.00 62.20 N ATOM 0 H GLN A 31 -4.882 3.647 -5.221 1.00 23.53 H new ATOM 0 HA GLN A 31 -3.484 4.973 -7.490 1.00 22.10 H new ATOM 0 HB2 GLN A 31 -4.921 6.386 -5.899 1.00 0.34 H new ATOM 0 HB3 GLN A 31 -3.881 5.848 -4.596 1.00 0.34 H new ATOM 0 HG2 GLN A 31 -3.069 7.979 -5.083 1.00 42.33 H new ATOM 0 HG3 GLN A 31 -1.940 6.933 -5.921 1.00 42.33 H new ATOM 0 HE21 GLN A 31 -5.182 8.421 -6.609 1.00 62.20 H new ATOM 0 HE22 GLN A 31 -4.728 9.016 -8.210 1.00 62.20 H new ATOM 486 N ILE A 32 -1.195 4.514 -6.441 1.00 14.35 N ATOM 487 CA ILE A 32 0.136 4.042 -6.076 1.00 75.34 C ATOM 488 C ILE A 32 1.078 5.234 -6.290 1.00 32.20 C ATOM 489 O ILE A 32 1.080 5.800 -7.389 1.00 31.12 O ATOM 490 CB ILE A 32 0.531 2.837 -6.981 1.00 35.03 C ATOM 491 CG1 ILE A 32 -0.419 1.630 -6.773 1.00 0.54 C ATOM 492 CG2 ILE A 32 1.992 2.403 -6.744 1.00 23.20 C ATOM 493 CD1 ILE A 32 -0.201 0.470 -7.744 1.00 15.15 C ATOM 0 H ILE A 32 -1.168 5.198 -7.197 1.00 14.35 H new ATOM 0 HA ILE A 32 0.184 3.694 -5.044 1.00 75.34 H new ATOM 0 HB ILE A 32 0.435 3.177 -8.012 1.00 35.03 H new ATOM 0 HG12 ILE A 32 -0.298 1.261 -5.755 1.00 0.54 H new ATOM 0 HG13 ILE A 32 -1.449 1.975 -6.866 1.00 0.54 H new ATOM 0 HG21 ILE A 32 2.231 1.560 -7.393 1.00 23.20 H new ATOM 0 HG22 ILE A 32 2.660 3.235 -6.969 1.00 23.20 H new ATOM 0 HG23 ILE A 32 2.119 2.107 -5.703 1.00 23.20 H new ATOM 0 HD11 ILE A 32 -0.910 -0.328 -7.523 1.00 15.15 H new ATOM 0 HD12 ILE A 32 -0.353 0.817 -8.766 1.00 15.15 H new ATOM 0 HD13 ILE A 32 0.816 0.092 -7.637 1.00 15.15 H new ATOM 505 N ARG A 33 1.820 5.678 -5.269 1.00 65.43 N ATOM 506 CA ARG A 33 2.782 6.762 -5.337 1.00 30.14 C ATOM 507 C ARG A 33 4.003 6.414 -4.483 1.00 23.51 C ATOM 508 O ARG A 33 3.997 6.611 -3.265 1.00 12.14 O ATOM 509 CB ARG A 33 2.119 8.059 -4.844 1.00 65.54 C ATOM 510 CG ARG A 33 2.594 9.251 -5.671 1.00 21.34 C ATOM 511 CD ARG A 33 4.074 9.607 -5.457 1.00 3.24 C ATOM 512 NE ARG A 33 4.495 10.692 -6.354 1.00 64.03 N ATOM 513 CZ ARG A 33 5.754 11.040 -6.651 1.00 75.34 C ATOM 514 NH1 ARG A 33 6.802 10.449 -6.085 1.00 53.43 N ATOM 515 NH2 ARG A 33 5.974 12.012 -7.526 1.00 72.24 N ATOM 0 H ARG A 33 1.757 5.268 -4.337 1.00 65.43 H new ATOM 0 HA ARG A 33 3.111 6.908 -6.366 1.00 30.14 H new ATOM 0 HB2 ARG A 33 1.035 7.969 -4.914 1.00 65.54 H new ATOM 0 HB3 ARG A 33 2.358 8.220 -3.793 1.00 65.54 H new ATOM 0 HG2 ARG A 33 2.431 9.036 -6.727 1.00 21.34 H new ATOM 0 HG3 ARG A 33 1.982 10.119 -5.424 1.00 21.34 H new ATOM 0 HD2 ARG A 33 4.233 9.906 -4.421 1.00 3.24 H new ATOM 0 HD3 ARG A 33 4.692 8.726 -5.633 1.00 3.24 H new ATOM 0 HE ARG A 33 3.753 11.235 -6.795 1.00 64.03 H new ATOM 0 HH11 ARG A 33 6.660 9.705 -5.401 1.00 53.43 H new ATOM 0 HH12 ARG A 33 7.747 10.739 -6.335 1.00 53.43 H new ATOM 0 HH21 ARG A 33 5.188 12.489 -7.967 1.00 72.24 H new ATOM 0 HH22 ARG A 33 6.930 12.283 -7.758 1.00 72.24 H new ATOM 529 N LEU A 34 5.095 6.009 -5.128 1.00 13.41 N ATOM 530 CA LEU A 34 6.357 5.665 -4.484 1.00 34.31 C ATOM 531 C LEU A 34 7.065 6.995 -4.195 1.00 73.12 C ATOM 532 O LEU A 34 7.185 7.832 -5.094 1.00 74.31 O ATOM 533 CB LEU A 34 7.135 4.699 -5.413 1.00 33.32 C ATOM 534 CG LEU A 34 8.444 4.044 -4.900 1.00 14.35 C ATOM 535 CD1 LEU A 34 9.631 4.884 -5.369 1.00 71.04 C ATOM 536 CD2 LEU A 34 8.501 3.959 -3.385 1.00 10.45 C ATOM 0 H LEU A 34 5.125 5.909 -6.143 1.00 13.41 H new ATOM 0 HA LEU A 34 6.248 5.133 -3.539 1.00 34.31 H new ATOM 0 HB2 LEU A 34 6.454 3.895 -5.694 1.00 33.32 H new ATOM 0 HB3 LEU A 34 7.377 5.245 -6.325 1.00 33.32 H new ATOM 0 HG LEU A 34 8.477 3.030 -5.299 1.00 14.35 H new ATOM 0 HD11 LEU A 34 10.558 4.434 -5.014 1.00 71.04 H new ATOM 0 HD12 LEU A 34 9.640 4.924 -6.458 1.00 71.04 H new ATOM 0 HD13 LEU A 34 9.542 5.894 -4.969 1.00 71.04 H new ATOM 0 HD21 LEU A 34 9.438 3.492 -3.082 1.00 10.45 H new ATOM 0 HD22 LEU A 34 8.441 4.962 -2.962 1.00 10.45 H new ATOM 0 HD23 LEU A 34 7.664 3.362 -3.022 1.00 10.45 H new ATOM 548 N ARG A 35 7.480 7.243 -2.947 1.00 72.14 N ATOM 549 CA ARG A 35 8.169 8.460 -2.511 1.00 31.22 C ATOM 550 C ARG A 35 9.562 8.142 -1.975 1.00 5.35 C ATOM 551 O ARG A 35 9.757 7.951 -0.768 1.00 73.24 O ATOM 552 CB ARG A 35 7.295 9.272 -1.541 1.00 22.43 C ATOM 553 CG ARG A 35 6.952 10.618 -2.186 1.00 43.13 C ATOM 554 CD ARG A 35 5.724 11.212 -1.535 1.00 23.30 C ATOM 555 NE ARG A 35 5.407 12.510 -2.147 1.00 74.33 N ATOM 556 CZ ARG A 35 4.263 12.874 -2.732 1.00 52.44 C ATOM 557 NH1 ARG A 35 3.183 12.098 -2.678 1.00 22.14 N ATOM 558 NH2 ARG A 35 4.223 14.024 -3.388 1.00 35.44 N ATOM 0 H ARG A 35 7.340 6.577 -2.187 1.00 72.14 H new ATOM 0 HA ARG A 35 8.328 9.105 -3.375 1.00 31.22 H new ATOM 0 HB2 ARG A 35 6.383 8.723 -1.307 1.00 22.43 H new ATOM 0 HB3 ARG A 35 7.823 9.429 -0.600 1.00 22.43 H new ATOM 0 HG2 ARG A 35 7.794 11.303 -2.084 1.00 43.13 H new ATOM 0 HG3 ARG A 35 6.778 10.484 -3.254 1.00 43.13 H new ATOM 0 HD2 ARG A 35 4.879 10.532 -1.646 1.00 23.30 H new ATOM 0 HD3 ARG A 35 5.894 11.337 -0.466 1.00 23.30 H new ATOM 0 HE ARG A 35 6.145 13.213 -2.122 1.00 74.33 H new ATOM 0 HH11 ARG A 35 3.220 11.207 -2.183 1.00 22.14 H new ATOM 0 HH12 ARG A 35 2.319 12.394 -3.132 1.00 22.14 H new ATOM 0 HH21 ARG A 35 5.055 14.611 -3.439 1.00 35.44 H new ATOM 0 HH22 ARG A 35 3.360 14.322 -3.843 1.00 35.44 H new ATOM 572 N ALA A 36 10.544 8.104 -2.876 1.00 22.14 N ATOM 573 CA ALA A 36 11.944 7.824 -2.550 1.00 45.24 C ATOM 574 C ALA A 36 12.521 8.857 -1.573 1.00 63.43 C ATOM 575 O ALA A 36 13.484 8.564 -0.861 1.00 23.00 O ATOM 576 CB ALA A 36 12.783 7.807 -3.830 1.00 54.25 C ATOM 0 H ALA A 36 10.387 8.270 -3.870 1.00 22.14 H new ATOM 0 HA ALA A 36 11.980 6.848 -2.067 1.00 45.24 H new ATOM 0 HB1 ALA A 36 13.823 7.598 -3.580 1.00 54.25 H new ATOM 0 HB2 ALA A 36 12.408 7.033 -4.500 1.00 54.25 H new ATOM 0 HB3 ALA A 36 12.716 8.777 -4.322 1.00 54.25 H new ATOM 582 N ASP A 37 11.911 10.043 -1.489 1.00 64.22 N ATOM 583 CA ASP A 37 12.315 11.142 -0.607 1.00 52.31 C ATOM 584 C ASP A 37 12.400 10.689 0.856 1.00 72.25 C ATOM 585 O ASP A 37 13.228 11.202 1.605 1.00 44.43 O ATOM 586 CB ASP A 37 11.269 12.268 -0.637 1.00 34.45 C ATOM 587 CG ASP A 37 11.172 13.114 -1.903 1.00 23.41 C ATOM 588 OD1 ASP A 37 12.091 13.143 -2.746 1.00 70.10 O ATOM 589 OD2 ASP A 37 10.098 13.745 -2.070 1.00 51.12 O ATOM 0 H ASP A 37 11.093 10.272 -2.054 1.00 64.22 H new ATOM 0 HA ASP A 37 13.287 11.479 -0.966 1.00 52.31 H new ATOM 0 HB2 ASP A 37 10.291 11.822 -0.456 1.00 34.45 H new ATOM 0 HB3 ASP A 37 11.473 12.937 0.199 1.00 34.45 H new ATOM 594 N LYS A 38 11.547 9.738 1.268 1.00 0.42 N ATOM 595 CA LYS A 38 11.489 9.214 2.633 1.00 22.31 C ATOM 596 C LYS A 38 11.442 7.686 2.721 1.00 24.24 C ATOM 597 O LYS A 38 11.363 7.165 3.833 1.00 52.22 O ATOM 598 CB LYS A 38 10.290 9.855 3.358 1.00 74.01 C ATOM 599 CG LYS A 38 10.637 11.161 4.075 1.00 20.32 C ATOM 600 CD LYS A 38 11.482 10.935 5.342 1.00 20.51 C ATOM 601 CE LYS A 38 11.284 12.078 6.340 1.00 12.02 C ATOM 602 NZ LYS A 38 11.767 13.375 5.826 1.00 2.41 N ATOM 0 H LYS A 38 10.865 9.306 0.644 1.00 0.42 H new ATOM 0 HA LYS A 38 12.423 9.486 3.125 1.00 22.31 H new ATOM 0 HB2 LYS A 38 9.498 10.047 2.634 1.00 74.01 H new ATOM 0 HB3 LYS A 38 9.893 9.146 4.084 1.00 74.01 H new ATOM 0 HG2 LYS A 38 11.181 11.813 3.391 1.00 20.32 H new ATOM 0 HG3 LYS A 38 9.716 11.679 4.344 1.00 20.32 H new ATOM 0 HD2 LYS A 38 11.203 9.989 5.806 1.00 20.51 H new ATOM 0 HD3 LYS A 38 12.536 10.860 5.073 1.00 20.51 H new ATOM 0 HE2 LYS A 38 10.225 12.161 6.585 1.00 12.02 H new ATOM 0 HE3 LYS A 38 11.808 11.841 7.266 1.00 12.02 H new ATOM 0 HZ1 LYS A 38 11.624 14.110 6.548 1.00 2.41 H new ATOM 0 HZ2 LYS A 38 12.780 13.304 5.600 1.00 2.41 H new ATOM 0 HZ3 LYS A 38 11.238 13.627 4.967 1.00 2.41 H new ATOM 616 N GLY A 39 11.504 6.944 1.614 1.00 44.52 N ATOM 617 CA GLY A 39 11.452 5.486 1.684 1.00 30.23 C ATOM 618 C GLY A 39 10.037 5.027 2.034 1.00 20.41 C ATOM 619 O GLY A 39 9.871 4.118 2.842 1.00 32.10 O ATOM 0 H GLY A 39 11.589 7.324 0.671 1.00 44.52 H new ATOM 0 HA2 GLY A 39 11.756 5.057 0.729 1.00 30.23 H new ATOM 0 HA3 GLY A 39 12.156 5.125 2.434 1.00 30.23 H new ATOM 623 N ILE A 40 9.023 5.668 1.462 1.00 52.41 N ATOM 624 CA ILE A 40 7.596 5.410 1.672 1.00 31.14 C ATOM 625 C ILE A 40 6.875 5.255 0.335 1.00 42.21 C ATOM 626 O ILE A 40 7.468 5.512 -0.720 1.00 42.04 O ATOM 627 CB ILE A 40 6.990 6.546 2.532 1.00 22.31 C ATOM 628 CG1 ILE A 40 7.552 7.901 2.090 1.00 75.25 C ATOM 629 CG2 ILE A 40 7.284 6.357 4.034 1.00 20.33 C ATOM 630 CD1 ILE A 40 6.657 9.097 2.403 1.00 52.32 C ATOM 0 H ILE A 40 9.181 6.427 0.799 1.00 52.41 H new ATOM 0 HA ILE A 40 7.468 4.471 2.210 1.00 31.14 H new ATOM 0 HB ILE A 40 5.911 6.514 2.384 1.00 22.31 H new ATOM 0 HG12 ILE A 40 8.518 8.052 2.571 1.00 75.25 H new ATOM 0 HG13 ILE A 40 7.732 7.871 1.015 1.00 75.25 H new ATOM 0 HG21 ILE A 40 6.840 7.177 4.598 1.00 20.33 H new ATOM 0 HG22 ILE A 40 6.858 5.412 4.372 1.00 20.33 H new ATOM 0 HG23 ILE A 40 8.362 6.348 4.195 1.00 20.33 H new ATOM 0 HD11 ILE A 40 7.137 10.012 2.054 1.00 52.32 H new ATOM 0 HD12 ILE A 40 5.698 8.975 1.900 1.00 52.32 H new ATOM 0 HD13 ILE A 40 6.496 9.159 3.479 1.00 52.32 H new ATOM 642 N ALA A 41 5.615 4.817 0.378 1.00 71.23 N ATOM 643 CA ALA A 41 4.740 4.580 -0.759 1.00 64.32 C ATOM 644 C ALA A 41 3.289 4.678 -0.294 1.00 11.34 C ATOM 645 O ALA A 41 2.910 3.918 0.598 1.00 73.15 O ATOM 646 CB ALA A 41 5.020 3.166 -1.260 1.00 72.22 C ATOM 0 H ALA A 41 5.156 4.607 1.264 1.00 71.23 H new ATOM 0 HA ALA A 41 4.912 5.310 -1.550 1.00 64.32 H new ATOM 0 HB1 ALA A 41 4.380 2.950 -2.116 1.00 72.22 H new ATOM 0 HB2 ALA A 41 6.065 3.086 -1.559 1.00 72.22 H new ATOM 0 HB3 ALA A 41 4.815 2.451 -0.464 1.00 72.22 H new ATOM 652 N PHE A 42 2.495 5.595 -0.860 1.00 12.11 N ATOM 653 CA PHE A 42 1.097 5.755 -0.464 1.00 2.34 C ATOM 654 C PHE A 42 0.198 5.042 -1.454 1.00 65.45 C ATOM 655 O PHE A 42 0.524 4.969 -2.643 1.00 44.42 O ATOM 656 CB PHE A 42 0.700 7.236 -0.453 1.00 23.15 C ATOM 657 CG PHE A 42 1.456 8.089 0.540 1.00 43.42 C ATOM 658 CD1 PHE A 42 1.056 8.104 1.888 1.00 42.04 C ATOM 659 CD2 PHE A 42 2.551 8.870 0.121 1.00 23.41 C ATOM 660 CE1 PHE A 42 1.740 8.907 2.813 1.00 43.01 C ATOM 661 CE2 PHE A 42 3.230 9.679 1.050 1.00 74.30 C ATOM 662 CZ PHE A 42 2.825 9.696 2.395 1.00 14.45 C ATOM 0 H PHE A 42 2.800 6.236 -1.593 1.00 12.11 H new ATOM 0 HA PHE A 42 0.983 5.334 0.535 1.00 2.34 H new ATOM 0 HB2 PHE A 42 0.852 7.645 -1.452 1.00 23.15 H new ATOM 0 HB3 PHE A 42 -0.366 7.310 -0.237 1.00 23.15 H new ATOM 0 HD1 PHE A 42 0.223 7.498 2.211 1.00 42.04 H new ATOM 0 HD2 PHE A 42 2.868 8.848 -0.911 1.00 23.41 H new ATOM 0 HE1 PHE A 42 1.432 8.919 3.848 1.00 43.01 H new ATOM 0 HE2 PHE A 42 4.063 10.287 0.729 1.00 74.30 H new ATOM 0 HZ PHE A 42 3.348 10.316 3.108 1.00 14.45 H new ATOM 672 N LEU A 43 -0.957 4.575 -0.987 1.00 52.14 N ATOM 673 CA LEU A 43 -1.932 3.886 -1.814 1.00 64.22 C ATOM 674 C LEU A 43 -3.317 4.335 -1.386 1.00 62.12 C ATOM 675 O LEU A 43 -3.578 4.392 -0.186 1.00 61.22 O ATOM 676 CB LEU A 43 -1.864 2.366 -1.649 1.00 52.11 C ATOM 677 CG LEU A 43 -0.514 1.735 -1.998 1.00 23.53 C ATOM 678 CD1 LEU A 43 0.335 1.551 -0.733 1.00 24.53 C ATOM 679 CD2 LEU A 43 -0.717 0.364 -2.644 1.00 74.31 C ATOM 0 H LEU A 43 -1.241 4.668 -0.012 1.00 52.14 H new ATOM 0 HA LEU A 43 -1.718 4.128 -2.855 1.00 64.22 H new ATOM 0 HB2 LEU A 43 -2.108 2.117 -0.616 1.00 52.11 H new ATOM 0 HB3 LEU A 43 -2.632 1.913 -2.276 1.00 52.11 H new ATOM 0 HG LEU A 43 -0.004 2.402 -2.693 1.00 23.53 H new ATOM 0 HD11 LEU A 43 1.292 1.101 -0.999 1.00 24.53 H new ATOM 0 HD12 LEU A 43 0.507 2.521 -0.266 1.00 24.53 H new ATOM 0 HD13 LEU A 43 -0.190 0.900 -0.034 1.00 24.53 H new ATOM 0 HD21 LEU A 43 0.253 -0.071 -2.886 1.00 74.31 H new ATOM 0 HD22 LEU A 43 -1.246 -0.290 -1.951 1.00 74.31 H new ATOM 0 HD23 LEU A 43 -1.303 0.475 -3.556 1.00 74.31 H new ATOM 691 N GLU A 44 -4.168 4.720 -2.331 1.00 44.53 N ATOM 692 CA GLU A 44 -5.544 5.136 -2.063 1.00 54.13 C ATOM 693 C GLU A 44 -6.396 3.927 -2.451 1.00 31.40 C ATOM 694 O GLU A 44 -6.036 3.188 -3.375 1.00 51.35 O ATOM 695 CB GLU A 44 -5.996 6.365 -2.883 1.00 50.34 C ATOM 696 CG GLU A 44 -5.152 7.636 -2.673 1.00 15.15 C ATOM 697 CD GLU A 44 -5.547 8.810 -3.590 1.00 4.34 C ATOM 698 OE1 GLU A 44 -5.671 8.637 -4.824 1.00 24.24 O ATOM 699 OE2 GLU A 44 -5.635 9.952 -3.090 1.00 11.04 O ATOM 0 H GLU A 44 -3.920 4.753 -3.320 1.00 44.53 H new ATOM 0 HA GLU A 44 -5.642 5.437 -1.020 1.00 54.13 H new ATOM 0 HB2 GLU A 44 -5.975 6.104 -3.941 1.00 50.34 H new ATOM 0 HB3 GLU A 44 -7.032 6.590 -2.631 1.00 50.34 H new ATOM 0 HG2 GLU A 44 -5.244 7.953 -1.634 1.00 15.15 H new ATOM 0 HG3 GLU A 44 -4.102 7.395 -2.841 1.00 15.15 H new ATOM 706 N PHE A 45 -7.537 3.745 -1.793 1.00 32.11 N ATOM 707 CA PHE A 45 -8.455 2.645 -2.041 1.00 30.34 C ATOM 708 C PHE A 45 -9.877 3.198 -2.069 1.00 43.55 C ATOM 709 O PHE A 45 -10.391 3.608 -1.028 1.00 64.11 O ATOM 710 CB PHE A 45 -8.314 1.583 -0.939 1.00 62.51 C ATOM 711 CG PHE A 45 -7.078 0.707 -1.012 1.00 70.33 C ATOM 712 CD1 PHE A 45 -5.820 1.189 -0.605 1.00 21.42 C ATOM 713 CD2 PHE A 45 -7.199 -0.626 -1.446 1.00 42.52 C ATOM 714 CE1 PHE A 45 -4.697 0.344 -0.654 1.00 12.53 C ATOM 715 CE2 PHE A 45 -6.076 -1.470 -1.473 1.00 52.53 C ATOM 716 CZ PHE A 45 -4.821 -0.986 -1.079 1.00 1.21 C ATOM 0 H PHE A 45 -7.854 4.375 -1.056 1.00 32.11 H new ATOM 0 HA PHE A 45 -8.225 2.174 -2.997 1.00 30.34 H new ATOM 0 HB2 PHE A 45 -8.320 2.088 0.027 1.00 62.51 H new ATOM 0 HB3 PHE A 45 -9.193 0.939 -0.968 1.00 62.51 H new ATOM 0 HD1 PHE A 45 -5.717 2.206 -0.256 1.00 21.42 H new ATOM 0 HD2 PHE A 45 -8.161 -1.003 -1.760 1.00 42.52 H new ATOM 0 HE1 PHE A 45 -3.729 0.724 -0.361 1.00 12.53 H new ATOM 0 HE2 PHE A 45 -6.180 -2.495 -1.798 1.00 52.53 H new ATOM 0 HZ PHE A 45 -3.956 -1.633 -1.103 1.00 1.21 H new ATOM 726 N ASP A 46 -10.492 3.230 -3.254 1.00 52.15 N ATOM 727 CA ASP A 46 -11.855 3.714 -3.475 1.00 73.33 C ATOM 728 C ASP A 46 -12.876 2.771 -2.831 1.00 41.10 C ATOM 729 O ASP A 46 -13.007 1.612 -3.234 1.00 30.15 O ATOM 730 CB ASP A 46 -12.132 3.932 -4.964 1.00 64.55 C ATOM 731 CG ASP A 46 -13.384 4.794 -5.102 1.00 73.13 C ATOM 732 OD1 ASP A 46 -14.440 4.388 -4.577 1.00 25.31 O ATOM 733 OD2 ASP A 46 -13.276 5.925 -5.630 1.00 5.24 O ATOM 0 H ASP A 46 -10.041 2.910 -4.111 1.00 52.15 H new ATOM 0 HA ASP A 46 -11.956 4.685 -2.990 1.00 73.33 H new ATOM 0 HB2 ASP A 46 -11.282 4.420 -5.440 1.00 64.55 H new ATOM 0 HB3 ASP A 46 -12.273 2.975 -5.467 1.00 64.55 H new ATOM 738 N ALA A 47 -13.510 3.249 -1.764 1.00 35.20 N ATOM 739 CA ALA A 47 -14.525 2.584 -0.965 1.00 31.44 C ATOM 740 C ALA A 47 -15.914 2.638 -1.601 1.00 21.42 C ATOM 741 O ALA A 47 -16.817 1.968 -1.100 1.00 52.41 O ATOM 742 CB ALA A 47 -14.560 3.206 0.435 1.00 64.24 C ATOM 0 H ALA A 47 -13.309 4.185 -1.411 1.00 35.20 H new ATOM 0 HA ALA A 47 -14.252 1.531 -0.904 1.00 31.44 H new ATOM 0 HB1 ALA A 47 -15.321 2.708 1.035 1.00 64.24 H new ATOM 0 HB2 ALA A 47 -13.587 3.086 0.911 1.00 64.24 H new ATOM 0 HB3 ALA A 47 -14.797 4.267 0.356 1.00 64.24 H new ATOM 748 N ASP A 48 -16.151 3.496 -2.595 1.00 11.42 N ATOM 749 CA ASP A 48 -17.444 3.559 -3.277 1.00 11.34 C ATOM 750 C ASP A 48 -17.461 2.412 -4.269 1.00 74.24 C ATOM 751 O ASP A 48 -18.483 1.734 -4.405 1.00 45.24 O ATOM 752 CB ASP A 48 -17.663 4.868 -4.043 1.00 61.21 C ATOM 753 CG ASP A 48 -18.997 4.864 -4.788 1.00 2.31 C ATOM 754 OD1 ASP A 48 -19.092 4.340 -5.923 1.00 24.42 O ATOM 755 OD2 ASP A 48 -19.963 5.454 -4.244 1.00 1.12 O ATOM 0 H ASP A 48 -15.461 4.159 -2.946 1.00 11.42 H new ATOM 0 HA ASP A 48 -18.236 3.499 -2.530 1.00 11.34 H new ATOM 0 HB2 ASP A 48 -17.636 5.707 -3.347 1.00 61.21 H new ATOM 0 HB3 ASP A 48 -16.849 5.016 -4.753 1.00 61.21 H new ATOM 760 N LYS A 49 -16.316 2.158 -4.923 1.00 3.25 N ATOM 761 CA LYS A 49 -16.203 1.085 -5.889 1.00 24.43 C ATOM 762 C LYS A 49 -16.469 -0.237 -5.174 1.00 54.42 C ATOM 763 O LYS A 49 -17.279 -1.033 -5.651 1.00 44.14 O ATOM 764 CB LYS A 49 -14.827 1.175 -6.575 1.00 44.33 C ATOM 765 CG LYS A 49 -14.448 -0.158 -7.218 1.00 34.00 C ATOM 766 CD LYS A 49 -13.189 -0.119 -8.092 1.00 61.55 C ATOM 767 CE LYS A 49 -12.798 -1.548 -8.509 1.00 50.44 C ATOM 768 NZ LYS A 49 -12.162 -2.307 -7.406 1.00 61.01 N ATOM 0 H LYS A 49 -15.458 2.692 -4.790 1.00 3.25 H new ATOM 0 HA LYS A 49 -16.943 1.162 -6.686 1.00 24.43 H new ATOM 0 HB2 LYS A 49 -14.846 1.957 -7.334 1.00 44.33 H new ATOM 0 HB3 LYS A 49 -14.070 1.459 -5.844 1.00 44.33 H new ATOM 0 HG2 LYS A 49 -14.302 -0.897 -6.430 1.00 34.00 H new ATOM 0 HG3 LYS A 49 -15.284 -0.502 -7.826 1.00 34.00 H new ATOM 0 HD2 LYS A 49 -13.369 0.491 -8.977 1.00 61.55 H new ATOM 0 HD3 LYS A 49 -12.370 0.347 -7.544 1.00 61.55 H new ATOM 0 HE2 LYS A 49 -13.687 -2.081 -8.847 1.00 50.44 H new ATOM 0 HE3 LYS A 49 -12.113 -1.501 -9.356 1.00 50.44 H new ATOM 0 HZ1 LYS A 49 -12.010 -3.292 -7.704 1.00 61.01 H new ATOM 0 HZ2 LYS A 49 -11.248 -1.873 -7.168 1.00 61.01 H new ATOM 0 HZ3 LYS A 49 -12.781 -2.290 -6.571 1.00 61.01 H new ATOM 782 N ASP A 50 -15.863 -0.440 -4.005 1.00 31.53 N ATOM 783 CA ASP A 50 -16.013 -1.653 -3.207 1.00 51.03 C ATOM 784 C ASP A 50 -16.677 -1.309 -1.872 1.00 42.31 C ATOM 785 O ASP A 50 -16.020 -1.352 -0.833 1.00 23.53 O ATOM 786 CB ASP A 50 -14.647 -2.321 -2.988 1.00 42.04 C ATOM 787 CG ASP A 50 -14.100 -3.044 -4.207 1.00 22.53 C ATOM 788 OD1 ASP A 50 -14.430 -4.231 -4.399 1.00 62.01 O ATOM 789 OD2 ASP A 50 -13.237 -2.450 -4.889 1.00 21.04 O ATOM 0 H ASP A 50 -15.242 0.248 -3.579 1.00 31.53 H new ATOM 0 HA ASP A 50 -16.648 -2.360 -3.740 1.00 51.03 H new ATOM 0 HB2 ASP A 50 -13.930 -1.561 -2.679 1.00 42.04 H new ATOM 0 HB3 ASP A 50 -14.731 -3.032 -2.166 1.00 42.04 H new ATOM 794 N ARG A 51 -17.988 -1.027 -1.864 1.00 55.55 N ATOM 795 CA ARG A 51 -18.745 -0.674 -0.647 1.00 53.43 C ATOM 796 C ARG A 51 -18.507 -1.611 0.525 1.00 14.51 C ATOM 797 O ARG A 51 -18.519 -1.146 1.666 1.00 15.42 O ATOM 798 CB ARG A 51 -20.252 -0.643 -0.932 1.00 53.23 C ATOM 799 CG ARG A 51 -20.735 0.718 -1.455 1.00 3.43 C ATOM 800 CD ARG A 51 -20.995 1.696 -0.301 1.00 52.02 C ATOM 801 NE ARG A 51 -21.370 3.033 -0.793 1.00 63.43 N ATOM 802 CZ ARG A 51 -22.601 3.544 -0.917 1.00 1.30 C ATOM 803 NH1 ARG A 51 -23.671 2.907 -0.458 1.00 24.11 N ATOM 804 NH2 ARG A 51 -22.743 4.719 -1.519 1.00 52.53 N ATOM 0 H ARG A 51 -18.561 -1.037 -2.708 1.00 55.55 H new ATOM 0 HA ARG A 51 -18.376 0.312 -0.365 1.00 53.43 H new ATOM 0 HB2 ARG A 51 -20.494 -1.414 -1.664 1.00 53.23 H new ATOM 0 HB3 ARG A 51 -20.794 -0.889 -0.019 1.00 53.23 H new ATOM 0 HG2 ARG A 51 -19.988 1.137 -2.129 1.00 3.43 H new ATOM 0 HG3 ARG A 51 -21.648 0.584 -2.035 1.00 3.43 H new ATOM 0 HD2 ARG A 51 -21.790 1.306 0.334 1.00 52.02 H new ATOM 0 HD3 ARG A 51 -20.101 1.774 0.318 1.00 52.02 H new ATOM 0 HE ARG A 51 -20.600 3.641 -1.072 1.00 63.43 H new ATOM 0 HH11 ARG A 51 -23.568 2.003 0.004 1.00 24.11 H new ATOM 0 HH12 ARG A 51 -24.597 3.321 -0.567 1.00 24.11 H new ATOM 0 HH21 ARG A 51 -21.924 5.212 -1.875 1.00 52.53 H new ATOM 0 HH22 ARG A 51 -23.671 5.129 -1.625 1.00 52.53 H new ATOM 818 N THR A 52 -18.298 -2.895 0.246 1.00 75.01 N ATOM 819 CA THR A 52 -18.046 -3.897 1.263 1.00 11.44 C ATOM 820 C THR A 52 -16.701 -4.604 1.042 1.00 64.44 C ATOM 821 O THR A 52 -16.133 -5.153 1.988 1.00 42.41 O ATOM 822 CB THR A 52 -19.265 -4.833 1.390 1.00 61.35 C ATOM 823 OG1 THR A 52 -19.937 -5.078 0.159 1.00 10.14 O ATOM 824 CG2 THR A 52 -20.281 -4.183 2.321 1.00 3.40 C ATOM 0 H THR A 52 -18.300 -3.267 -0.704 1.00 75.01 H new ATOM 0 HA THR A 52 -17.933 -3.418 2.235 1.00 11.44 H new ATOM 0 HB THR A 52 -18.881 -5.783 1.761 1.00 61.35 H new ATOM 0 HG1 THR A 52 -20.696 -5.679 0.314 1.00 10.14 H new ATOM 0 HG21 THR A 52 -21.150 -4.833 2.422 1.00 3.40 H new ATOM 0 HG22 THR A 52 -19.829 -4.027 3.301 1.00 3.40 H new ATOM 0 HG23 THR A 52 -20.591 -3.223 1.908 1.00 3.40 H new ATOM 832 N GLY A 53 -16.131 -4.545 -0.167 1.00 63.54 N ATOM 833 CA GLY A 53 -14.853 -5.177 -0.482 1.00 24.01 C ATOM 834 C GLY A 53 -13.667 -4.340 -0.004 1.00 3.24 C ATOM 835 O GLY A 53 -12.566 -4.873 0.131 1.00 13.33 O ATOM 0 H GLY A 53 -16.549 -4.053 -0.957 1.00 63.54 H new ATOM 0 HA2 GLY A 53 -14.812 -6.162 -0.018 1.00 24.01 H new ATOM 0 HA3 GLY A 53 -14.779 -5.329 -1.559 1.00 24.01 H new ATOM 839 N ILE A 54 -13.873 -3.050 0.304 1.00 63.45 N ATOM 840 CA ILE A 54 -12.844 -2.127 0.778 1.00 1.32 C ATOM 841 C ILE A 54 -12.068 -2.730 1.955 1.00 53.20 C ATOM 842 O ILE A 54 -10.847 -2.601 2.016 1.00 50.23 O ATOM 843 CB ILE A 54 -13.495 -0.761 1.128 1.00 60.52 C ATOM 844 CG1 ILE A 54 -12.488 0.291 1.634 1.00 63.13 C ATOM 845 CG2 ILE A 54 -14.640 -0.868 2.160 1.00 51.32 C ATOM 846 CD1 ILE A 54 -11.440 0.681 0.589 1.00 63.53 C ATOM 0 H ILE A 54 -14.791 -2.612 0.226 1.00 63.45 H new ATOM 0 HA ILE A 54 -12.114 -1.955 -0.013 1.00 1.32 H new ATOM 0 HB ILE A 54 -13.905 -0.431 0.174 1.00 60.52 H new ATOM 0 HG12 ILE A 54 -13.031 1.184 1.944 1.00 63.13 H new ATOM 0 HG13 ILE A 54 -11.982 -0.097 2.518 1.00 63.13 H new ATOM 0 HG21 ILE A 54 -15.047 0.124 2.356 1.00 51.32 H new ATOM 0 HG22 ILE A 54 -15.426 -1.511 1.766 1.00 51.32 H new ATOM 0 HG23 ILE A 54 -14.255 -1.292 3.088 1.00 51.32 H new ATOM 0 HD11 ILE A 54 -10.764 1.424 1.011 1.00 63.53 H new ATOM 0 HD12 ILE A 54 -10.872 -0.202 0.297 1.00 63.53 H new ATOM 0 HD13 ILE A 54 -11.937 1.099 -0.287 1.00 63.53 H new ATOM 858 N GLN A 55 -12.783 -3.408 2.857 1.00 22.44 N ATOM 859 CA GLN A 55 -12.239 -4.064 4.032 1.00 42.11 C ATOM 860 C GLN A 55 -11.190 -5.068 3.580 1.00 2.10 C ATOM 861 O GLN A 55 -10.022 -4.892 3.901 1.00 63.04 O ATOM 862 CB GLN A 55 -13.416 -4.701 4.793 1.00 61.52 C ATOM 863 CG GLN A 55 -13.056 -5.516 6.044 1.00 22.25 C ATOM 864 CD GLN A 55 -12.513 -6.900 5.713 1.00 40.31 C ATOM 865 OE1 GLN A 55 -13.224 -7.764 5.209 1.00 32.45 O ATOM 866 NE2 GLN A 55 -11.230 -7.131 5.919 1.00 42.23 N ATOM 0 H GLN A 55 -13.794 -3.515 2.779 1.00 22.44 H new ATOM 0 HA GLN A 55 -11.740 -3.373 4.712 1.00 42.11 H new ATOM 0 HB2 GLN A 55 -14.103 -3.907 5.088 1.00 61.52 H new ATOM 0 HB3 GLN A 55 -13.957 -5.351 4.105 1.00 61.52 H new ATOM 0 HG2 GLN A 55 -12.314 -4.970 6.626 1.00 22.25 H new ATOM 0 HG3 GLN A 55 -13.941 -5.619 6.672 1.00 22.25 H new ATOM 0 HE21 GLN A 55 -10.643 -6.410 6.338 1.00 42.23 H new ATOM 0 HE22 GLN A 55 -10.826 -8.031 5.659 1.00 42.23 H new ATOM 875 N ARG A 56 -11.582 -6.072 2.787 1.00 55.34 N ATOM 876 CA ARG A 56 -10.697 -7.111 2.266 1.00 22.14 C ATOM 877 C ARG A 56 -9.477 -6.479 1.612 1.00 32.40 C ATOM 878 O ARG A 56 -8.353 -6.844 1.943 1.00 14.51 O ATOM 879 CB ARG A 56 -11.438 -7.990 1.246 1.00 41.00 C ATOM 880 CG ARG A 56 -12.657 -8.742 1.795 1.00 44.13 C ATOM 881 CD ARG A 56 -12.298 -9.966 2.641 1.00 61.42 C ATOM 882 NE ARG A 56 -13.465 -10.852 2.753 1.00 23.30 N ATOM 883 CZ ARG A 56 -13.450 -12.171 2.968 1.00 62.22 C ATOM 884 NH1 ARG A 56 -12.331 -12.808 3.299 1.00 20.21 N ATOM 885 NH2 ARG A 56 -14.572 -12.860 2.820 1.00 42.35 N ATOM 0 H ARG A 56 -12.550 -6.184 2.484 1.00 55.34 H new ATOM 0 HA ARG A 56 -10.374 -7.737 3.098 1.00 22.14 H new ATOM 0 HB2 ARG A 56 -11.762 -7.361 0.417 1.00 41.00 H new ATOM 0 HB3 ARG A 56 -10.736 -8.717 0.839 1.00 41.00 H new ATOM 0 HG2 ARG A 56 -13.253 -8.057 2.398 1.00 44.13 H new ATOM 0 HG3 ARG A 56 -13.283 -9.059 0.961 1.00 44.13 H new ATOM 0 HD2 ARG A 56 -11.465 -10.502 2.187 1.00 61.42 H new ATOM 0 HD3 ARG A 56 -11.972 -9.652 3.632 1.00 61.42 H new ATOM 0 HE ARG A 56 -14.382 -10.415 2.657 1.00 23.30 H new ATOM 0 HH11 ARG A 56 -11.458 -12.289 3.394 1.00 20.21 H new ATOM 0 HH12 ARG A 56 -12.346 -13.815 3.458 1.00 20.21 H new ATOM 0 HH21 ARG A 56 -15.431 -12.383 2.546 1.00 42.35 H new ATOM 0 HH22 ARG A 56 -14.577 -13.867 2.980 1.00 42.35 H new ATOM 899 N ARG A 57 -9.689 -5.518 0.707 1.00 65.34 N ATOM 900 CA ARG A 57 -8.611 -4.831 -0.001 1.00 2.44 C ATOM 901 C ARG A 57 -7.587 -4.266 0.986 1.00 55.45 C ATOM 902 O ARG A 57 -6.391 -4.519 0.829 1.00 0.02 O ATOM 903 CB ARG A 57 -9.177 -3.738 -0.914 1.00 11.52 C ATOM 904 CG ARG A 57 -10.068 -4.267 -2.053 1.00 24.25 C ATOM 905 CD ARG A 57 -10.812 -3.128 -2.757 1.00 2.23 C ATOM 906 NE ARG A 57 -9.917 -2.239 -3.528 1.00 30.44 N ATOM 907 CZ ARG A 57 -10.241 -1.009 -3.950 1.00 41.41 C ATOM 908 NH1 ARG A 57 -11.499 -0.597 -3.901 1.00 70.31 N ATOM 909 NH2 ARG A 57 -9.297 -0.199 -4.418 1.00 53.03 N ATOM 0 H ARG A 57 -10.621 -5.195 0.446 1.00 65.34 H new ATOM 0 HA ARG A 57 -8.094 -5.554 -0.631 1.00 2.44 H new ATOM 0 HB2 ARG A 57 -9.755 -3.039 -0.310 1.00 11.52 H new ATOM 0 HB3 ARG A 57 -8.349 -3.176 -1.346 1.00 11.52 H new ATOM 0 HG2 ARG A 57 -9.455 -4.805 -2.776 1.00 24.25 H new ATOM 0 HG3 ARG A 57 -10.788 -4.981 -1.652 1.00 24.25 H new ATOM 0 HD2 ARG A 57 -11.560 -3.551 -3.428 1.00 2.23 H new ATOM 0 HD3 ARG A 57 -11.348 -2.538 -2.013 1.00 2.23 H new ATOM 0 HE ARG A 57 -8.986 -2.587 -3.755 1.00 30.44 H new ATOM 0 HH11 ARG A 57 -12.225 -1.217 -3.541 1.00 70.31 H new ATOM 0 HH12 ARG A 57 -11.742 0.340 -4.223 1.00 70.31 H new ATOM 0 HH21 ARG A 57 -8.328 -0.514 -4.456 1.00 53.03 H new ATOM 0 HH22 ARG A 57 -9.542 0.737 -4.740 1.00 53.03 H new ATOM 923 N MET A 58 -8.041 -3.504 1.983 1.00 61.51 N ATOM 924 CA MET A 58 -7.172 -2.913 2.992 1.00 13.12 C ATOM 925 C MET A 58 -6.539 -3.984 3.877 1.00 14.43 C ATOM 926 O MET A 58 -5.381 -3.849 4.246 1.00 21.24 O ATOM 927 CB MET A 58 -7.956 -1.907 3.844 1.00 33.02 C ATOM 928 CG MET A 58 -8.145 -0.586 3.091 1.00 43.23 C ATOM 929 SD MET A 58 -8.330 0.851 4.172 1.00 50.24 S ATOM 930 CE MET A 58 -9.881 0.443 5.014 1.00 50.53 C ATOM 0 H MET A 58 -9.028 -3.281 2.110 1.00 61.51 H new ATOM 0 HA MET A 58 -6.367 -2.389 2.478 1.00 13.12 H new ATOM 0 HB2 MET A 58 -8.929 -2.325 4.105 1.00 33.02 H new ATOM 0 HB3 MET A 58 -7.426 -1.725 4.779 1.00 33.02 H new ATOM 0 HG2 MET A 58 -7.289 -0.427 2.435 1.00 43.23 H new ATOM 0 HG3 MET A 58 -9.026 -0.665 2.453 1.00 43.23 H new ATOM 0 HE1 MET A 58 -10.087 1.191 5.780 1.00 50.53 H new ATOM 0 HE2 MET A 58 -10.696 0.431 4.290 1.00 50.53 H new ATOM 0 HE3 MET A 58 -9.795 -0.539 5.479 1.00 50.53 H new ATOM 940 N ASP A 59 -7.249 -5.065 4.187 1.00 32.05 N ATOM 941 CA ASP A 59 -6.768 -6.174 5.016 1.00 53.50 C ATOM 942 C ASP A 59 -5.566 -6.821 4.348 1.00 61.45 C ATOM 943 O ASP A 59 -4.545 -7.067 4.980 1.00 3.33 O ATOM 944 CB ASP A 59 -7.862 -7.231 5.175 1.00 60.04 C ATOM 945 CG ASP A 59 -8.217 -7.502 6.635 1.00 53.34 C ATOM 946 OD1 ASP A 59 -8.784 -6.605 7.304 1.00 4.41 O ATOM 947 OD2 ASP A 59 -7.980 -8.644 7.077 1.00 25.43 O ATOM 0 H ASP A 59 -8.205 -5.201 3.860 1.00 32.05 H new ATOM 0 HA ASP A 59 -6.494 -5.782 5.996 1.00 53.50 H new ATOM 0 HB2 ASP A 59 -8.756 -6.905 4.643 1.00 60.04 H new ATOM 0 HB3 ASP A 59 -7.534 -8.159 4.707 1.00 60.04 H new ATOM 952 N ILE A 60 -5.680 -7.092 3.045 1.00 71.15 N ATOM 953 CA ILE A 60 -4.626 -7.708 2.253 1.00 65.33 C ATOM 954 C ILE A 60 -3.418 -6.773 2.239 1.00 50.20 C ATOM 955 O ILE A 60 -2.287 -7.250 2.224 1.00 44.24 O ATOM 956 CB ILE A 60 -5.135 -8.009 0.827 1.00 41.11 C ATOM 957 CG1 ILE A 60 -6.327 -8.983 0.819 1.00 35.02 C ATOM 958 CG2 ILE A 60 -4.035 -8.594 -0.078 1.00 71.42 C ATOM 959 CD1 ILE A 60 -7.272 -8.720 -0.362 1.00 2.14 C ATOM 0 H ILE A 60 -6.522 -6.884 2.508 1.00 71.15 H new ATOM 0 HA ILE A 60 -4.328 -8.660 2.693 1.00 65.33 H new ATOM 0 HB ILE A 60 -5.454 -7.043 0.436 1.00 41.11 H new ATOM 0 HG12 ILE A 60 -5.959 -10.008 0.768 1.00 35.02 H new ATOM 0 HG13 ILE A 60 -6.879 -8.889 1.754 1.00 35.02 H new ATOM 0 HG21 ILE A 60 -4.444 -8.788 -1.069 1.00 71.42 H new ATOM 0 HG22 ILE A 60 -3.213 -7.883 -0.158 1.00 71.42 H new ATOM 0 HG23 ILE A 60 -3.668 -9.526 0.352 1.00 71.42 H new ATOM 0 HD11 ILE A 60 -8.100 -9.429 -0.331 1.00 2.14 H new ATOM 0 HD12 ILE A 60 -7.662 -7.704 -0.297 1.00 2.14 H new ATOM 0 HD13 ILE A 60 -6.727 -8.840 -1.298 1.00 2.14 H new ATOM 971 N ALA A 61 -3.646 -5.461 2.202 1.00 43.13 N ATOM 972 CA ALA A 61 -2.566 -4.493 2.209 1.00 62.32 C ATOM 973 C ALA A 61 -1.909 -4.491 3.593 1.00 11.55 C ATOM 974 O ALA A 61 -0.682 -4.491 3.675 1.00 72.12 O ATOM 975 CB ALA A 61 -3.106 -3.112 1.831 1.00 41.30 C ATOM 0 H ALA A 61 -4.578 -5.048 2.167 1.00 43.13 H new ATOM 0 HA ALA A 61 -1.809 -4.760 1.472 1.00 62.32 H new ATOM 0 HB1 ALA A 61 -2.291 -2.388 1.838 1.00 41.30 H new ATOM 0 HB2 ALA A 61 -3.546 -3.154 0.835 1.00 41.30 H new ATOM 0 HB3 ALA A 61 -3.866 -2.809 2.551 1.00 41.30 H new ATOM 981 N LEU A 62 -2.708 -4.527 4.670 1.00 4.10 N ATOM 982 CA LEU A 62 -2.213 -4.513 6.050 1.00 64.25 C ATOM 983 C LEU A 62 -1.390 -5.759 6.348 1.00 32.13 C ATOM 984 O LEU A 62 -0.410 -5.698 7.093 1.00 41.44 O ATOM 985 CB LEU A 62 -3.382 -4.419 7.045 1.00 23.04 C ATOM 986 CG LEU A 62 -3.837 -2.977 7.335 1.00 72.31 C ATOM 987 CD1 LEU A 62 -5.225 -2.997 7.981 1.00 15.40 C ATOM 988 CD2 LEU A 62 -2.871 -2.267 8.294 1.00 1.51 C ATOM 0 H LEU A 62 -3.725 -4.567 4.604 1.00 4.10 H new ATOM 0 HA LEU A 62 -1.576 -3.636 6.163 1.00 64.25 H new ATOM 0 HB2 LEU A 62 -4.227 -4.985 6.653 1.00 23.04 H new ATOM 0 HB3 LEU A 62 -3.089 -4.893 7.982 1.00 23.04 H new ATOM 0 HG LEU A 62 -3.857 -2.439 6.387 1.00 72.31 H new ATOM 0 HD11 LEU A 62 -5.546 -1.976 8.186 1.00 15.40 H new ATOM 0 HD12 LEU A 62 -5.935 -3.471 7.303 1.00 15.40 H new ATOM 0 HD13 LEU A 62 -5.184 -3.558 8.914 1.00 15.40 H new ATOM 0 HD21 LEU A 62 -3.222 -1.251 8.478 1.00 1.51 H new ATOM 0 HD22 LEU A 62 -2.828 -2.812 9.237 1.00 1.51 H new ATOM 0 HD23 LEU A 62 -1.876 -2.233 7.849 1.00 1.51 H new ATOM 1000 N LEU A 63 -1.748 -6.890 5.737 1.00 64.12 N ATOM 1001 CA LEU A 63 -1.048 -8.151 5.924 1.00 33.13 C ATOM 1002 C LEU A 63 0.396 -8.119 5.430 1.00 55.21 C ATOM 1003 O LEU A 63 1.139 -9.057 5.725 1.00 11.24 O ATOM 1004 CB LEU A 63 -1.793 -9.285 5.205 1.00 73.03 C ATOM 1005 CG LEU A 63 -2.970 -9.885 5.985 1.00 34.11 C ATOM 1006 CD1 LEU A 63 -3.446 -11.120 5.216 1.00 21.44 C ATOM 1007 CD2 LEU A 63 -2.626 -10.305 7.413 1.00 70.33 C ATOM 0 H LEU A 63 -2.538 -6.951 5.095 1.00 64.12 H new ATOM 0 HA LEU A 63 -1.024 -8.326 7.000 1.00 33.13 H new ATOM 0 HB2 LEU A 63 -2.163 -8.909 4.251 1.00 73.03 H new ATOM 0 HB3 LEU A 63 -1.083 -10.081 4.980 1.00 73.03 H new ATOM 0 HG LEU A 63 -3.733 -9.111 6.070 1.00 34.11 H new ATOM 0 HD11 LEU A 63 -4.285 -11.575 5.742 1.00 21.44 H new ATOM 0 HD12 LEU A 63 -3.762 -10.826 4.215 1.00 21.44 H new ATOM 0 HD13 LEU A 63 -2.631 -11.840 5.142 1.00 21.44 H new ATOM 0 HD21 LEU A 63 -3.512 -10.719 7.894 1.00 70.33 H new ATOM 0 HD22 LEU A 63 -1.840 -11.059 7.391 1.00 70.33 H new ATOM 0 HD23 LEU A 63 -2.280 -9.437 7.974 1.00 70.33 H new ATOM 1019 N GLN A 64 0.793 -7.101 4.663 1.00 65.14 N ATOM 1020 CA GLN A 64 2.152 -6.992 4.149 1.00 23.30 C ATOM 1021 C GLN A 64 3.080 -6.296 5.153 1.00 22.23 C ATOM 1022 O GLN A 64 4.243 -6.054 4.849 1.00 24.44 O ATOM 1023 CB GLN A 64 2.162 -6.336 2.759 1.00 23.32 C ATOM 1024 CG GLN A 64 1.116 -6.912 1.782 1.00 24.22 C ATOM 1025 CD GLN A 64 1.050 -8.442 1.738 1.00 52.11 C ATOM 1026 OE1 GLN A 64 2.058 -9.142 1.656 1.00 31.34 O ATOM 1027 NE2 GLN A 64 -0.142 -9.008 1.803 1.00 32.10 N ATOM 0 H GLN A 64 0.181 -6.334 4.384 1.00 65.14 H new ATOM 0 HA GLN A 64 2.553 -7.997 4.021 1.00 23.30 H new ATOM 0 HB2 GLN A 64 1.986 -5.266 2.873 1.00 23.32 H new ATOM 0 HB3 GLN A 64 3.154 -6.452 2.322 1.00 23.32 H new ATOM 0 HG2 GLN A 64 0.133 -6.528 2.056 1.00 24.22 H new ATOM 0 HG3 GLN A 64 1.334 -6.543 0.780 1.00 24.22 H new ATOM 0 HE21 GLN A 64 -0.979 -8.429 1.871 1.00 32.10 H new ATOM 0 HE22 GLN A 64 -0.226 -10.024 1.785 1.00 32.10 H new ATOM 1036 N HIS A 65 2.597 -5.949 6.347 1.00 52.24 N ATOM 1037 CA HIS A 65 3.391 -5.314 7.372 1.00 34.31 C ATOM 1038 C HIS A 65 4.561 -6.224 7.745 1.00 1.11 C ATOM 1039 O HIS A 65 4.370 -7.322 8.275 1.00 71.14 O ATOM 1040 CB HIS A 65 2.522 -5.035 8.596 1.00 33.21 C ATOM 1041 CG HIS A 65 3.341 -4.398 9.676 1.00 21.50 C ATOM 1042 ND1 HIS A 65 4.070 -3.217 9.538 1.00 72.34 N ATOM 1043 CD2 HIS A 65 3.607 -4.960 10.887 1.00 0.25 C ATOM 1044 CE1 HIS A 65 4.728 -3.076 10.696 1.00 41.45 C ATOM 1045 NE2 HIS A 65 4.473 -4.104 11.525 1.00 42.40 N ATOM 0 H HIS A 65 1.628 -6.108 6.622 1.00 52.24 H new ATOM 0 HA HIS A 65 3.784 -4.368 6.999 1.00 34.31 H new ATOM 0 HB2 HIS A 65 1.695 -4.380 8.322 1.00 33.21 H new ATOM 0 HB3 HIS A 65 2.085 -5.965 8.961 1.00 33.21 H new ATOM 0 HD2 HIS A 65 3.216 -5.891 11.270 1.00 0.25 H new ATOM 0 HE1 HIS A 65 5.378 -2.246 10.933 1.00 41.45 H new ATOM 0 HE2 HIS A 65 4.855 -4.227 12.463 1.00 42.40 H new ATOM 1053 N GLY A 66 5.777 -5.779 7.447 1.00 50.41 N ATOM 1054 CA GLY A 66 7.003 -6.509 7.749 1.00 71.41 C ATOM 1055 C GLY A 66 7.547 -7.370 6.615 1.00 44.32 C ATOM 1056 O GLY A 66 8.405 -8.213 6.880 1.00 45.32 O ATOM 0 H GLY A 66 5.941 -4.886 6.981 1.00 50.41 H new ATOM 0 HA2 GLY A 66 7.771 -5.792 8.039 1.00 71.41 H new ATOM 0 HA3 GLY A 66 6.822 -7.148 8.613 1.00 71.41 H new ATOM 1060 N THR A 67 7.063 -7.236 5.381 1.00 2.53 N ATOM 1061 CA THR A 67 7.589 -8.030 4.279 1.00 34.23 C ATOM 1062 C THR A 67 9.015 -7.572 3.949 1.00 21.41 C ATOM 1063 O THR A 67 9.375 -6.403 4.124 1.00 54.02 O ATOM 1064 CB THR A 67 6.682 -7.875 3.049 1.00 72.11 C ATOM 1065 OG1 THR A 67 6.356 -6.516 2.862 1.00 23.24 O ATOM 1066 CG2 THR A 67 5.389 -8.678 3.204 1.00 14.41 C ATOM 0 H THR A 67 6.315 -6.591 5.124 1.00 2.53 H new ATOM 0 HA THR A 67 7.613 -9.081 4.567 1.00 34.23 H new ATOM 0 HB THR A 67 7.228 -8.255 2.185 1.00 72.11 H new ATOM 0 HG1 THR A 67 5.555 -6.297 3.382 1.00 23.24 H new ATOM 0 HG21 THR A 67 4.770 -8.546 2.316 1.00 14.41 H new ATOM 0 HG22 THR A 67 5.629 -9.734 3.325 1.00 14.41 H new ATOM 0 HG23 THR A 67 4.845 -8.326 4.081 1.00 14.41 H new ATOM 1074 N LEU A 68 9.847 -8.502 3.477 1.00 15.54 N ATOM 1075 CA LEU A 68 11.217 -8.238 3.084 1.00 64.32 C ATOM 1076 C LEU A 68 11.190 -8.030 1.580 1.00 52.34 C ATOM 1077 O LEU A 68 11.045 -8.979 0.800 1.00 11.20 O ATOM 1078 CB LEU A 68 12.159 -9.394 3.457 1.00 10.43 C ATOM 1079 CG LEU A 68 12.293 -9.646 4.970 1.00 41.41 C ATOM 1080 CD1 LEU A 68 13.469 -10.569 5.258 1.00 13.43 C ATOM 1081 CD2 LEU A 68 12.559 -8.365 5.748 1.00 3.03 C ATOM 0 H LEU A 68 9.574 -9.477 3.358 1.00 15.54 H new ATOM 0 HA LEU A 68 11.601 -7.363 3.607 1.00 64.32 H new ATOM 0 HB2 LEU A 68 11.801 -10.306 2.980 1.00 10.43 H new ATOM 0 HB3 LEU A 68 13.148 -9.187 3.047 1.00 10.43 H new ATOM 0 HG LEU A 68 11.345 -10.086 5.281 1.00 41.41 H new ATOM 0 HD11 LEU A 68 13.547 -10.735 6.333 1.00 13.43 H new ATOM 0 HD12 LEU A 68 13.315 -11.523 4.754 1.00 13.43 H new ATOM 0 HD13 LEU A 68 14.389 -10.111 4.894 1.00 13.43 H new ATOM 0 HD21 LEU A 68 12.646 -8.596 6.810 1.00 3.03 H new ATOM 0 HD22 LEU A 68 13.487 -7.913 5.398 1.00 3.03 H new ATOM 0 HD23 LEU A 68 11.735 -7.668 5.594 1.00 3.03 H new ATOM 1093 N LEU A 69 11.359 -6.779 1.176 1.00 4.12 N ATOM 1094 CA LEU A 69 11.380 -6.307 -0.200 1.00 23.04 C ATOM 1095 C LEU A 69 12.824 -5.910 -0.463 1.00 52.24 C ATOM 1096 O LEU A 69 13.317 -5.031 0.234 1.00 4.15 O ATOM 1097 CB LEU A 69 10.451 -5.082 -0.335 1.00 51.54 C ATOM 1098 CG LEU A 69 9.123 -5.392 -1.039 1.00 12.01 C ATOM 1099 CD1 LEU A 69 8.166 -4.206 -0.861 1.00 2.14 C ATOM 1100 CD2 LEU A 69 9.374 -5.610 -2.537 1.00 3.00 C ATOM 0 H LEU A 69 11.494 -6.019 1.843 1.00 4.12 H new ATOM 0 HA LEU A 69 11.036 -7.061 -0.908 1.00 23.04 H new ATOM 0 HB2 LEU A 69 10.242 -4.684 0.658 1.00 51.54 H new ATOM 0 HB3 LEU A 69 10.972 -4.301 -0.888 1.00 51.54 H new ATOM 0 HG LEU A 69 8.686 -6.291 -0.605 1.00 12.01 H new ATOM 0 HD11 LEU A 69 7.221 -4.423 -1.360 1.00 2.14 H new ATOM 0 HD12 LEU A 69 7.986 -4.040 0.201 1.00 2.14 H new ATOM 0 HD13 LEU A 69 8.610 -3.311 -1.298 1.00 2.14 H new ATOM 0 HD21 LEU A 69 8.430 -5.830 -3.036 1.00 3.00 H new ATOM 0 HD22 LEU A 69 9.811 -4.709 -2.968 1.00 3.00 H new ATOM 0 HD23 LEU A 69 10.060 -6.446 -2.673 1.00 3.00 H new ATOM 1112 N LYS A 70 13.488 -6.482 -1.472 1.00 43.10 N ATOM 1113 CA LYS A 70 14.893 -6.197 -1.809 1.00 13.14 C ATOM 1114 C LYS A 70 15.778 -6.211 -0.544 1.00 64.43 C ATOM 1115 O LYS A 70 16.673 -5.382 -0.380 1.00 52.53 O ATOM 1116 CB LYS A 70 15.010 -4.907 -2.647 1.00 63.23 C ATOM 1117 CG LYS A 70 14.707 -5.100 -4.142 1.00 41.12 C ATOM 1118 CD LYS A 70 13.774 -4.021 -4.724 1.00 61.51 C ATOM 1119 CE LYS A 70 12.339 -4.163 -4.201 1.00 52.42 C ATOM 1120 NZ LYS A 70 11.761 -5.467 -4.609 1.00 23.52 N ATOM 0 H LYS A 70 13.059 -7.170 -2.091 1.00 43.10 H new ATOM 0 HA LYS A 70 15.277 -6.995 -2.445 1.00 13.14 H new ATOM 0 HB2 LYS A 70 14.327 -4.160 -2.242 1.00 63.23 H new ATOM 0 HB3 LYS A 70 16.018 -4.507 -2.540 1.00 63.23 H new ATOM 0 HG2 LYS A 70 15.645 -5.097 -4.698 1.00 41.12 H new ATOM 0 HG3 LYS A 70 14.253 -6.080 -4.289 1.00 41.12 H new ATOM 0 HD2 LYS A 70 14.157 -3.033 -4.468 1.00 61.51 H new ATOM 0 HD3 LYS A 70 13.773 -4.091 -5.812 1.00 61.51 H new ATOM 0 HE2 LYS A 70 12.332 -4.080 -3.114 1.00 52.42 H new ATOM 0 HE3 LYS A 70 11.724 -3.350 -4.586 1.00 52.42 H new ATOM 0 HZ1 LYS A 70 10.723 -5.414 -4.572 1.00 23.52 H new ATOM 0 HZ2 LYS A 70 12.061 -5.692 -5.579 1.00 23.52 H new ATOM 0 HZ3 LYS A 70 12.093 -6.211 -3.963 1.00 23.52 H new ATOM 1134 N GLU A 71 15.513 -7.166 0.350 1.00 23.05 N ATOM 1135 CA GLU A 71 16.189 -7.408 1.628 1.00 14.55 C ATOM 1136 C GLU A 71 15.961 -6.309 2.682 1.00 4.31 C ATOM 1137 O GLU A 71 16.722 -6.201 3.644 1.00 23.44 O ATOM 1138 CB GLU A 71 17.673 -7.772 1.435 1.00 15.00 C ATOM 1139 CG GLU A 71 17.859 -8.916 0.430 1.00 12.12 C ATOM 1140 CD GLU A 71 19.218 -9.588 0.610 1.00 3.43 C ATOM 1141 OE1 GLU A 71 20.223 -9.093 0.042 1.00 2.35 O ATOM 1142 OE2 GLU A 71 19.277 -10.594 1.361 1.00 64.11 O ATOM 0 H GLU A 71 14.765 -7.841 0.188 1.00 23.05 H new ATOM 0 HA GLU A 71 15.705 -8.286 2.055 1.00 14.55 H new ATOM 0 HB2 GLU A 71 18.220 -6.894 1.090 1.00 15.00 H new ATOM 0 HB3 GLU A 71 18.103 -8.059 2.394 1.00 15.00 H new ATOM 0 HG2 GLU A 71 17.066 -9.652 0.560 1.00 12.12 H new ATOM 0 HG3 GLU A 71 17.772 -8.530 -0.586 1.00 12.12 H new ATOM 1149 N LYS A 72 14.909 -5.498 2.547 1.00 32.32 N ATOM 1150 CA LYS A 72 14.553 -4.422 3.471 1.00 51.30 C ATOM 1151 C LYS A 72 13.169 -4.701 4.017 1.00 22.13 C ATOM 1152 O LYS A 72 12.239 -4.955 3.250 1.00 33.42 O ATOM 1153 CB LYS A 72 14.606 -3.060 2.762 1.00 34.54 C ATOM 1154 CG LYS A 72 16.047 -2.544 2.671 1.00 44.42 C ATOM 1155 CD LYS A 72 16.445 -1.911 4.006 1.00 70.40 C ATOM 1156 CE LYS A 72 17.942 -1.644 4.042 1.00 44.14 C ATOM 1157 NZ LYS A 72 18.349 -1.120 5.355 1.00 3.33 N ATOM 0 H LYS A 72 14.260 -5.576 1.764 1.00 32.32 H new ATOM 0 HA LYS A 72 15.267 -4.384 4.293 1.00 51.30 H new ATOM 0 HB2 LYS A 72 14.184 -3.150 1.761 1.00 34.54 H new ATOM 0 HB3 LYS A 72 13.992 -2.340 3.303 1.00 34.54 H new ATOM 0 HG2 LYS A 72 16.724 -3.363 2.428 1.00 44.42 H new ATOM 0 HG3 LYS A 72 16.133 -1.811 1.869 1.00 44.42 H new ATOM 0 HD2 LYS A 72 15.899 -0.978 4.150 1.00 70.40 H new ATOM 0 HD3 LYS A 72 16.168 -2.573 4.826 1.00 70.40 H new ATOM 0 HE2 LYS A 72 18.485 -2.565 3.829 1.00 44.14 H new ATOM 0 HE3 LYS A 72 18.207 -0.930 3.263 1.00 44.14 H new ATOM 0 HZ1 LYS A 72 19.374 -0.945 5.356 1.00 3.33 H new ATOM 0 HZ2 LYS A 72 17.846 -0.230 5.545 1.00 3.33 H new ATOM 0 HZ3 LYS A 72 18.115 -1.814 6.093 1.00 3.33 H new ATOM 1171 N LYS A 73 13.047 -4.723 5.343 1.00 70.21 N ATOM 1172 CA LYS A 73 11.786 -4.984 6.007 1.00 1.54 C ATOM 1173 C LYS A 73 10.986 -3.696 6.063 1.00 72.22 C ATOM 1174 O LYS A 73 11.376 -2.746 6.739 1.00 62.24 O ATOM 1175 CB LYS A 73 12.029 -5.526 7.415 1.00 23.34 C ATOM 1176 CG LYS A 73 10.711 -6.088 7.964 1.00 33.43 C ATOM 1177 CD LYS A 73 10.900 -7.318 8.856 1.00 60.15 C ATOM 1178 CE LYS A 73 11.267 -6.962 10.289 1.00 72.44 C ATOM 1179 NZ LYS A 73 12.576 -6.283 10.430 1.00 13.00 N ATOM 0 H LYS A 73 13.825 -4.559 5.982 1.00 70.21 H new ATOM 0 HA LYS A 73 11.227 -5.735 5.450 1.00 1.54 H new ATOM 0 HB2 LYS A 73 12.791 -6.305 7.393 1.00 23.34 H new ATOM 0 HB3 LYS A 73 12.401 -4.734 8.065 1.00 23.34 H new ATOM 0 HG2 LYS A 73 10.202 -5.310 8.533 1.00 33.43 H new ATOM 0 HG3 LYS A 73 10.060 -6.350 7.130 1.00 33.43 H new ATOM 0 HD2 LYS A 73 9.981 -7.904 8.857 1.00 60.15 H new ATOM 0 HD3 LYS A 73 11.681 -7.950 8.433 1.00 60.15 H new ATOM 0 HE2 LYS A 73 10.490 -6.318 10.702 1.00 72.44 H new ATOM 0 HE3 LYS A 73 11.277 -7.873 10.887 1.00 72.44 H new ATOM 0 HZ1 LYS A 73 12.895 -6.346 11.418 1.00 13.00 H new ATOM 0 HZ2 LYS A 73 13.274 -6.743 9.811 1.00 13.00 H new ATOM 0 HZ3 LYS A 73 12.479 -5.283 10.160 1.00 13.00 H new ATOM 1193 N ILE A 74 9.881 -3.670 5.340 1.00 32.55 N ATOM 1194 CA ILE A 74 8.981 -2.534 5.257 1.00 10.22 C ATOM 1195 C ILE A 74 7.939 -2.579 6.379 1.00 54.45 C ATOM 1196 O ILE A 74 7.875 -3.534 7.154 1.00 51.32 O ATOM 1197 CB ILE A 74 8.369 -2.456 3.848 1.00 4.15 C ATOM 1198 CG1 ILE A 74 7.371 -3.594 3.541 1.00 71.24 C ATOM 1199 CG2 ILE A 74 9.476 -2.467 2.776 1.00 73.12 C ATOM 1200 CD1 ILE A 74 5.928 -3.313 3.951 1.00 10.21 C ATOM 0 H ILE A 74 9.576 -4.464 4.777 1.00 32.55 H new ATOM 0 HA ILE A 74 9.537 -1.609 5.411 1.00 10.22 H new ATOM 0 HB ILE A 74 7.814 -1.518 3.822 1.00 4.15 H new ATOM 0 HG12 ILE A 74 7.396 -3.800 2.471 1.00 71.24 H new ATOM 0 HG13 ILE A 74 7.707 -4.499 4.047 1.00 71.24 H new ATOM 0 HG21 ILE A 74 9.024 -2.411 1.786 1.00 73.12 H new ATOM 0 HG22 ILE A 74 10.134 -1.610 2.923 1.00 73.12 H new ATOM 0 HG23 ILE A 74 10.054 -3.387 2.860 1.00 73.12 H new ATOM 0 HD11 ILE A 74 5.304 -4.169 3.695 1.00 10.21 H new ATOM 0 HD12 ILE A 74 5.882 -3.139 5.026 1.00 10.21 H new ATOM 0 HD13 ILE A 74 5.566 -2.430 3.425 1.00 10.21 H new ATOM 1212 N ASN A 75 7.164 -1.508 6.534 1.00 43.05 N ATOM 1213 CA ASN A 75 6.093 -1.379 7.517 1.00 12.33 C ATOM 1214 C ASN A 75 4.845 -0.850 6.827 1.00 23.34 C ATOM 1215 O ASN A 75 4.971 -0.105 5.858 1.00 31.34 O ATOM 1216 CB ASN A 75 6.466 -0.440 8.670 1.00 3.32 C ATOM 1217 CG ASN A 75 7.130 0.876 8.295 1.00 52.32 C ATOM 1218 OD1 ASN A 75 8.271 1.130 8.657 1.00 3.11 O ATOM 1219 ND2 ASN A 75 6.416 1.794 7.678 1.00 14.20 N ATOM 0 H ASN A 75 7.270 -0.675 5.956 1.00 43.05 H new ATOM 0 HA ASN A 75 5.916 -2.367 7.942 1.00 12.33 H new ATOM 0 HB2 ASN A 75 5.559 -0.215 9.232 1.00 3.32 H new ATOM 0 HB3 ASN A 75 7.133 -0.978 9.344 1.00 3.32 H new ATOM 0 HD21 ASN A 75 6.814 2.717 7.502 1.00 14.20 H new ATOM 0 HD22 ASN A 75 5.465 1.583 7.376 1.00 14.20 H new ATOM 1226 N VAL A 76 3.663 -1.198 7.342 1.00 22.25 N ATOM 1227 CA VAL A 76 2.365 -0.779 6.827 1.00 31.43 C ATOM 1228 C VAL A 76 1.496 -0.328 8.015 1.00 62.35 C ATOM 1229 O VAL A 76 1.627 -0.881 9.111 1.00 63.44 O ATOM 1230 CB VAL A 76 1.696 -1.962 6.078 1.00 10.33 C ATOM 1231 CG1 VAL A 76 0.323 -1.562 5.520 1.00 21.10 C ATOM 1232 CG2 VAL A 76 2.499 -2.523 4.898 1.00 44.32 C ATOM 0 H VAL A 76 3.585 -1.802 8.160 1.00 22.25 H new ATOM 0 HA VAL A 76 2.480 0.047 6.126 1.00 31.43 H new ATOM 0 HB VAL A 76 1.625 -2.735 6.843 1.00 10.33 H new ATOM 0 HG11 VAL A 76 -0.120 -2.412 5.001 1.00 21.10 H new ATOM 0 HG12 VAL A 76 -0.328 -1.257 6.339 1.00 21.10 H new ATOM 0 HG13 VAL A 76 0.441 -0.732 4.823 1.00 21.10 H new ATOM 0 HG21 VAL A 76 1.948 -3.345 4.441 1.00 44.32 H new ATOM 0 HG22 VAL A 76 2.657 -1.737 4.159 1.00 44.32 H new ATOM 0 HG23 VAL A 76 3.463 -2.886 5.254 1.00 44.32 H new ATOM 1242 N GLU A 77 0.656 0.695 7.838 1.00 14.33 N ATOM 1243 CA GLU A 77 -0.284 1.231 8.826 1.00 14.24 C ATOM 1244 C GLU A 77 -1.456 1.889 8.089 1.00 34.33 C ATOM 1245 O GLU A 77 -1.372 2.154 6.887 1.00 51.54 O ATOM 1246 CB GLU A 77 0.347 2.188 9.860 1.00 75.11 C ATOM 1247 CG GLU A 77 1.093 3.428 9.363 1.00 15.54 C ATOM 1248 CD GLU A 77 2.034 4.035 10.421 1.00 2.14 C ATOM 1249 OE1 GLU A 77 3.218 3.623 10.495 1.00 33.15 O ATOM 1250 OE2 GLU A 77 1.660 4.981 11.152 1.00 31.21 O ATOM 0 H GLU A 77 0.611 1.199 6.953 1.00 14.33 H new ATOM 0 HA GLU A 77 -0.636 0.390 9.423 1.00 14.24 H new ATOM 0 HB2 GLU A 77 -0.449 2.526 10.524 1.00 75.11 H new ATOM 0 HB3 GLU A 77 1.042 1.606 10.466 1.00 75.11 H new ATOM 0 HG2 GLU A 77 1.673 3.165 8.478 1.00 15.54 H new ATOM 0 HG3 GLU A 77 0.368 4.182 9.056 1.00 15.54 H new ATOM 1257 N LEU A 78 -2.594 2.090 8.760 1.00 1.40 N ATOM 1258 CA LEU A 78 -3.771 2.718 8.182 1.00 5.12 C ATOM 1259 C LEU A 78 -3.667 4.217 8.377 1.00 71.15 C ATOM 1260 O LEU A 78 -3.066 4.670 9.349 1.00 10.12 O ATOM 1261 CB LEU A 78 -5.013 2.204 8.929 1.00 32.23 C ATOM 1262 CG LEU A 78 -6.154 1.695 8.049 1.00 50.23 C ATOM 1263 CD1 LEU A 78 -6.936 2.818 7.359 1.00 70.52 C ATOM 1264 CD2 LEU A 78 -5.646 0.676 7.025 1.00 30.52 C ATOM 0 H LEU A 78 -2.719 1.814 9.734 1.00 1.40 H new ATOM 0 HA LEU A 78 -3.845 2.484 7.120 1.00 5.12 H new ATOM 0 HB2 LEU A 78 -4.706 1.398 9.595 1.00 32.23 H new ATOM 0 HB3 LEU A 78 -5.395 3.009 9.557 1.00 32.23 H new ATOM 0 HG LEU A 78 -6.856 1.200 8.720 1.00 50.23 H new ATOM 0 HD11 LEU A 78 -7.731 2.387 6.750 1.00 70.52 H new ATOM 0 HD12 LEU A 78 -7.371 3.474 8.113 1.00 70.52 H new ATOM 0 HD13 LEU A 78 -6.263 3.392 6.723 1.00 70.52 H new ATOM 0 HD21 LEU A 78 -6.478 0.330 6.412 1.00 30.52 H new ATOM 0 HD22 LEU A 78 -4.896 1.144 6.388 1.00 30.52 H new ATOM 0 HD23 LEU A 78 -5.202 -0.172 7.546 1.00 30.52 H new ATOM 1276 N THR A 79 -4.276 4.984 7.483 1.00 72.24 N ATOM 1277 CA THR A 79 -4.290 6.435 7.543 1.00 61.01 C ATOM 1278 C THR A 79 -5.635 6.931 7.037 1.00 15.22 C ATOM 1279 O THR A 79 -6.165 6.400 6.059 1.00 3.40 O ATOM 1280 CB THR A 79 -3.128 7.057 6.747 1.00 72.12 C ATOM 1281 OG1 THR A 79 -2.842 6.386 5.535 1.00 50.43 O ATOM 1282 CG2 THR A 79 -1.835 7.099 7.560 1.00 14.24 C ATOM 0 H THR A 79 -4.783 4.606 6.682 1.00 72.24 H new ATOM 0 HA THR A 79 -4.150 6.747 8.578 1.00 61.01 H new ATOM 0 HB THR A 79 -3.476 8.065 6.519 1.00 72.12 H new ATOM 0 HG1 THR A 79 -3.552 5.738 5.344 1.00 50.43 H new ATOM 0 HG21 THR A 79 -1.042 7.545 6.960 1.00 14.24 H new ATOM 0 HG22 THR A 79 -1.990 7.696 8.459 1.00 14.24 H new ATOM 0 HG23 THR A 79 -1.550 6.086 7.842 1.00 14.24 H new