USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 701 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 53 SER OG : rot 159:sc= 0.0776 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.213 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -151:sc= 0.908 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0135 (180deg=-0.193) USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0.887 (180deg=-0.126) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 155:sc= -0.0642 (180deg=-0.647) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 70 SER OG : rot 168:sc= 1.22 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-1.7) USER MOD Single : A 105 THR OG1 : rot -17:sc= 0.182 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.008 -12.121 6.354 1.00 34.13 N ATOM 42 CA LEU A 4 -11.029 -10.996 5.414 1.00 11.15 C ATOM 43 C LEU A 4 -10.183 -11.381 4.193 1.00 31.24 C ATOM 44 O LEU A 4 -9.398 -12.326 4.267 1.00 23.15 O ATOM 45 CB LEU A 4 -10.416 -9.757 6.095 1.00 64.11 C ATOM 46 CG LEU A 4 -11.289 -8.991 7.112 1.00 13.54 C ATOM 47 CD1 LEU A 4 -12.239 -8.032 6.404 1.00 4.53 C ATOM 48 CD2 LEU A 4 -12.102 -9.865 8.075 1.00 23.12 C ATOM 0 HA LEU A 4 -12.051 -10.769 5.109 1.00 11.15 H new ATOM 0 HB2 LEU A 4 -9.505 -10.071 6.605 1.00 64.11 H new ATOM 0 HB3 LEU A 4 -10.119 -9.057 5.314 1.00 64.11 H new ATOM 0 HG LEU A 4 -10.564 -8.452 7.723 1.00 13.54 H new ATOM 0 HD11 LEU A 4 -12.842 -7.505 7.143 1.00 4.53 H new ATOM 0 HD12 LEU A 4 -11.663 -7.310 5.825 1.00 4.53 H new ATOM 0 HD13 LEU A 4 -12.892 -8.594 5.736 1.00 4.53 H new ATOM 0 HD21 LEU A 4 -12.679 -9.228 8.746 1.00 23.12 H new ATOM 0 HD22 LEU A 4 -12.780 -10.500 7.505 1.00 23.12 H new ATOM 0 HD23 LEU A 4 -11.426 -10.489 8.659 1.00 23.12 H new ATOM 59 N SER A 5 -10.292 -10.623 3.100 1.00 22.21 N ATOM 60 CA SER A 5 -9.532 -10.857 1.871 1.00 52.31 C ATOM 61 C SER A 5 -8.727 -9.608 1.502 1.00 33.15 C ATOM 62 O SER A 5 -9.053 -8.533 2.014 1.00 12.55 O ATOM 63 CB SER A 5 -10.496 -11.167 0.724 1.00 65.44 C ATOM 64 OG SER A 5 -11.799 -11.598 1.089 1.00 33.23 O ATOM 0 H SER A 5 -10.918 -9.820 3.043 1.00 22.21 H new ATOM 0 HA SER A 5 -8.855 -11.696 2.035 1.00 52.31 H new ATOM 0 HB2 SER A 5 -10.593 -10.272 0.109 1.00 65.44 H new ATOM 0 HB3 SER A 5 -10.045 -11.937 0.098 1.00 65.44 H new ATOM 0 HG SER A 5 -12.327 -11.765 0.280 1.00 33.23 H new ATOM 69 N THR A 6 -7.791 -9.703 0.537 1.00 50.11 N ATOM 70 CA THR A 6 -6.977 -8.560 0.107 1.00 4.23 C ATOM 71 C THR A 6 -7.896 -7.380 -0.242 1.00 65.14 C ATOM 72 O THR A 6 -7.774 -6.290 0.326 1.00 2.51 O ATOM 73 CB THR A 6 -6.065 -8.934 -1.083 1.00 3.34 C ATOM 74 OG1 THR A 6 -5.414 -10.172 -0.871 1.00 1.24 O ATOM 75 CG2 THR A 6 -4.986 -7.875 -1.329 1.00 31.12 C ATOM 0 H THR A 6 -7.583 -10.569 0.040 1.00 50.11 H new ATOM 0 HA THR A 6 -6.322 -8.266 0.927 1.00 4.23 H new ATOM 0 HB THR A 6 -6.721 -9.001 -1.951 1.00 3.34 H new ATOM 0 HG1 THR A 6 -4.555 -10.175 -1.343 1.00 1.24 H new ATOM 0 HG21 THR A 6 -4.366 -8.176 -2.174 1.00 31.12 H new ATOM 0 HG22 THR A 6 -5.459 -6.918 -1.549 1.00 31.12 H new ATOM 0 HG23 THR A 6 -4.364 -7.776 -0.440 1.00 31.12 H new ATOM 83 N ASP A 7 -8.847 -7.663 -1.142 1.00 12.51 N ATOM 84 CA ASP A 7 -9.829 -6.736 -1.704 1.00 22.45 C ATOM 85 C ASP A 7 -10.641 -6.018 -0.623 1.00 60.43 C ATOM 86 O ASP A 7 -10.965 -4.835 -0.750 1.00 23.41 O ATOM 87 CB ASP A 7 -10.707 -7.562 -2.648 1.00 41.31 C ATOM 88 CG ASP A 7 -12.135 -7.059 -2.800 1.00 60.42 C ATOM 89 OD1 ASP A 7 -12.381 -5.928 -3.264 1.00 62.52 O ATOM 90 OD2 ASP A 7 -13.040 -7.872 -2.484 1.00 31.32 O ATOM 0 H ASP A 7 -8.955 -8.605 -1.518 1.00 12.51 H new ATOM 0 HA ASP A 7 -9.334 -5.930 -2.246 1.00 22.45 H new ATOM 0 HB2 ASP A 7 -10.238 -7.583 -3.632 1.00 41.31 H new ATOM 0 HB3 ASP A 7 -10.736 -8.590 -2.287 1.00 41.31 H new ATOM 94 N ILE A 8 -10.944 -6.715 0.473 1.00 14.32 N ATOM 95 CA ILE A 8 -11.800 -6.188 1.523 1.00 15.34 C ATOM 96 C ILE A 8 -11.088 -5.056 2.263 1.00 52.13 C ATOM 97 O ILE A 8 -11.714 -4.032 2.558 1.00 51.13 O ATOM 98 CB ILE A 8 -12.265 -7.307 2.466 1.00 24.21 C ATOM 99 CG1 ILE A 8 -12.901 -8.482 1.704 1.00 72.31 C ATOM 100 CG2 ILE A 8 -13.273 -6.725 3.469 1.00 31.22 C ATOM 101 CD1 ILE A 8 -14.113 -8.144 0.836 1.00 63.20 C ATOM 0 H ILE A 8 -10.601 -7.659 0.652 1.00 14.32 H new ATOM 0 HA ILE A 8 -12.700 -5.768 1.073 1.00 15.34 H new ATOM 0 HB ILE A 8 -11.391 -7.699 2.987 1.00 24.21 H new ATOM 0 HG12 ILE A 8 -12.138 -8.931 1.068 1.00 72.31 H new ATOM 0 HG13 ILE A 8 -13.199 -9.240 2.429 1.00 72.31 H new ATOM 0 HG21 ILE A 8 -13.610 -7.512 4.144 1.00 31.22 H new ATOM 0 HG22 ILE A 8 -12.796 -5.932 4.045 1.00 31.22 H new ATOM 0 HG23 ILE A 8 -14.129 -6.318 2.930 1.00 31.22 H new ATOM 0 HD11 ILE A 8 -14.475 -9.049 0.349 1.00 63.20 H new ATOM 0 HD12 ILE A 8 -14.903 -7.727 1.461 1.00 63.20 H new ATOM 0 HD13 ILE A 8 -13.826 -7.414 0.079 1.00 63.20 H new ATOM 112 N TRP A 9 -9.798 -5.218 2.559 1.00 63.11 N ATOM 113 CA TRP A 9 -9.046 -4.193 3.261 1.00 24.15 C ATOM 114 C TRP A 9 -8.814 -2.985 2.373 1.00 11.21 C ATOM 115 O TRP A 9 -9.033 -1.871 2.848 1.00 71.41 O ATOM 116 CB TRP A 9 -7.713 -4.732 3.739 1.00 21.44 C ATOM 117 CG TRP A 9 -7.784 -5.917 4.644 1.00 41.21 C ATOM 118 CD1 TRP A 9 -8.565 -6.046 5.737 1.00 32.05 C ATOM 119 CD2 TRP A 9 -7.103 -7.192 4.493 1.00 12.52 C ATOM 120 NE1 TRP A 9 -8.344 -7.276 6.322 1.00 53.43 N ATOM 121 CE2 TRP A 9 -7.460 -8.035 5.583 1.00 71.22 C ATOM 122 CE3 TRP A 9 -6.246 -7.721 3.514 1.00 34.05 C ATOM 123 CZ2 TRP A 9 -6.954 -9.338 5.709 1.00 25.45 C ATOM 124 CZ3 TRP A 9 -5.764 -9.042 3.604 1.00 52.44 C ATOM 125 CH2 TRP A 9 -6.119 -9.849 4.702 1.00 24.13 C ATOM 0 H TRP A 9 -9.258 -6.050 2.321 1.00 63.11 H new ATOM 0 HA TRP A 9 -9.637 -3.889 4.125 1.00 24.15 H new ATOM 0 HB2 TRP A 9 -7.115 -4.998 2.867 1.00 21.44 H new ATOM 0 HB3 TRP A 9 -7.183 -3.933 4.257 1.00 21.44 H new ATOM 0 HD1 TRP A 9 -9.257 -5.300 6.099 1.00 32.05 H new ATOM 0 HE1 TRP A 9 -8.779 -7.585 7.191 1.00 53.43 H new ATOM 0 HE3 TRP A 9 -5.951 -7.105 2.678 1.00 34.05 H new ATOM 0 HZ2 TRP A 9 -7.204 -9.940 6.570 1.00 25.45 H new ATOM 0 HZ3 TRP A 9 -5.122 -9.436 2.830 1.00 52.44 H new ATOM 0 HH2 TRP A 9 -5.749 -10.861 4.770 1.00 24.13 H new ATOM 135 N VAL A 10 -8.448 -3.193 1.099 1.00 11.25 N ATOM 136 CA VAL A 10 -8.323 -2.106 0.130 1.00 51.03 C ATOM 137 C VAL A 10 -9.613 -1.294 0.154 1.00 2.14 C ATOM 138 O VAL A 10 -9.557 -0.068 0.246 1.00 31.23 O ATOM 139 CB VAL A 10 -7.992 -2.641 -1.282 1.00 23.11 C ATOM 140 CG1 VAL A 10 -8.052 -1.551 -2.366 1.00 41.00 C ATOM 141 CG2 VAL A 10 -6.585 -3.246 -1.307 1.00 40.44 C ATOM 0 H VAL A 10 -8.233 -4.115 0.718 1.00 11.25 H new ATOM 0 HA VAL A 10 -7.489 -1.459 0.403 1.00 51.03 H new ATOM 0 HB VAL A 10 -8.750 -3.393 -1.501 1.00 23.11 H new ATOM 0 HG11 VAL A 10 -7.810 -1.988 -3.335 1.00 41.00 H new ATOM 0 HG12 VAL A 10 -9.055 -1.126 -2.400 1.00 41.00 H new ATOM 0 HG13 VAL A 10 -7.333 -0.766 -2.133 1.00 41.00 H new ATOM 0 HG21 VAL A 10 -6.367 -3.618 -2.308 1.00 40.44 H new ATOM 0 HG22 VAL A 10 -5.856 -2.482 -1.037 1.00 40.44 H new ATOM 0 HG23 VAL A 10 -6.530 -4.069 -0.594 1.00 40.44 H new ATOM 151 N ALA A 11 -10.771 -1.964 0.134 1.00 24.13 N ATOM 152 CA ALA A 11 -12.043 -1.276 0.154 1.00 1.24 C ATOM 153 C ALA A 11 -12.181 -0.383 1.391 1.00 4.15 C ATOM 154 O ALA A 11 -12.429 0.809 1.243 1.00 64.11 O ATOM 155 CB ALA A 11 -13.200 -2.269 0.018 1.00 33.54 C ATOM 0 H ALA A 11 -10.841 -2.981 0.104 1.00 24.13 H new ATOM 0 HA ALA A 11 -12.084 -0.612 -0.710 1.00 1.24 H new ATOM 0 HB1 ALA A 11 -14.147 -1.729 0.036 1.00 33.54 H new ATOM 0 HB2 ALA A 11 -13.107 -2.809 -0.924 1.00 33.54 H new ATOM 0 HB3 ALA A 11 -13.171 -2.977 0.846 1.00 33.54 H new ATOM 161 N ALA A 12 -12.005 -0.929 2.598 1.00 63.30 N ATOM 162 CA ALA A 12 -12.121 -0.173 3.841 1.00 22.13 C ATOM 163 C ALA A 12 -11.162 0.995 3.852 1.00 20.35 C ATOM 164 O ALA A 12 -11.624 2.122 3.968 1.00 40.30 O ATOM 165 CB ALA A 12 -11.900 -1.098 5.046 1.00 63.33 C ATOM 0 H ALA A 12 -11.777 -1.913 2.737 1.00 63.30 H new ATOM 0 HA ALA A 12 -13.129 0.236 3.911 1.00 22.13 H new ATOM 0 HB1 ALA A 12 -11.989 -0.523 5.967 1.00 63.33 H new ATOM 0 HB2 ALA A 12 -12.649 -1.890 5.039 1.00 63.33 H new ATOM 0 HB3 ALA A 12 -10.905 -1.539 4.988 1.00 63.33 H new ATOM 171 N LEU A 13 -9.866 0.729 3.714 1.00 71.30 N ATOM 172 CA LEU A 13 -8.790 1.697 3.666 1.00 43.31 C ATOM 173 C LEU A 13 -9.142 2.855 2.750 1.00 54.30 C ATOM 174 O LEU A 13 -9.090 3.995 3.207 1.00 75.10 O ATOM 175 CB LEU A 13 -7.489 1.006 3.229 1.00 42.12 C ATOM 176 CG LEU A 13 -6.385 2.001 2.818 1.00 10.44 C ATOM 177 CD1 LEU A 13 -5.850 2.753 4.034 1.00 1.13 C ATOM 178 CD2 LEU A 13 -5.265 1.250 2.115 1.00 30.44 C ATOM 0 H LEU A 13 -9.525 -0.229 3.628 1.00 71.30 H new ATOM 0 HA LEU A 13 -8.640 2.111 4.663 1.00 43.31 H new ATOM 0 HB2 LEU A 13 -7.123 0.383 4.045 1.00 42.12 H new ATOM 0 HB3 LEU A 13 -7.701 0.341 2.392 1.00 42.12 H new ATOM 0 HG LEU A 13 -6.807 2.737 2.134 1.00 10.44 H new ATOM 0 HD11 LEU A 13 -5.073 3.449 3.718 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -6.662 3.306 4.506 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -5.433 2.042 4.747 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -4.483 1.952 1.824 1.00 30.44 H new ATOM 0 HD22 LEU A 13 -4.848 0.503 2.790 1.00 30.44 H new ATOM 0 HD23 LEU A 13 -5.659 0.757 1.227 1.00 30.44 H new ATOM 189 N ILE A 14 -9.490 2.607 1.500 1.00 61.11 N ATOM 190 CA ILE A 14 -9.851 3.662 0.561 1.00 51.31 C ATOM 191 C ILE A 14 -11.065 4.438 1.102 1.00 21.41 C ATOM 192 O ILE A 14 -11.011 5.660 1.240 1.00 52.13 O ATOM 193 CB ILE A 14 -10.038 3.013 -0.829 1.00 41.21 C ATOM 194 CG1 ILE A 14 -8.689 2.538 -1.428 1.00 41.14 C ATOM 195 CG2 ILE A 14 -10.736 3.925 -1.853 1.00 51.44 C ATOM 196 CD1 ILE A 14 -7.626 3.635 -1.540 1.00 4.32 C ATOM 0 H ILE A 14 -9.531 1.668 1.104 1.00 61.11 H new ATOM 0 HA ILE A 14 -9.071 4.415 0.448 1.00 51.31 H new ATOM 0 HB ILE A 14 -10.688 2.158 -0.645 1.00 41.21 H new ATOM 0 HG12 ILE A 14 -8.296 1.730 -0.811 1.00 41.14 H new ATOM 0 HG13 ILE A 14 -8.871 2.123 -2.419 1.00 41.14 H new ATOM 0 HG21 ILE A 14 -10.831 3.399 -2.803 1.00 51.44 H new ATOM 0 HG22 ILE A 14 -11.727 4.193 -1.486 1.00 51.44 H new ATOM 0 HG23 ILE A 14 -10.146 4.830 -1.996 1.00 51.44 H new ATOM 0 HD11 ILE A 14 -6.715 3.217 -1.968 1.00 4.32 H new ATOM 0 HD12 ILE A 14 -7.995 4.435 -2.182 1.00 4.32 H new ATOM 0 HD13 ILE A 14 -7.410 4.035 -0.549 1.00 4.32 H new ATOM 207 N ARG A 15 -12.121 3.727 1.502 1.00 3.05 N ATOM 208 CA ARG A 15 -13.356 4.292 2.051 1.00 14.25 C ATOM 209 C ARG A 15 -13.208 4.875 3.460 1.00 2.33 C ATOM 210 O ARG A 15 -14.220 5.238 4.054 1.00 12.35 O ATOM 211 CB ARG A 15 -14.508 3.270 1.972 1.00 51.20 C ATOM 212 CG ARG A 15 -14.814 2.876 0.521 1.00 23.23 C ATOM 213 CD ARG A 15 -16.257 2.412 0.292 1.00 62.20 C ATOM 214 NE ARG A 15 -16.979 3.411 -0.511 1.00 73.34 N ATOM 215 CZ ARG A 15 -18.155 3.985 -0.235 1.00 73.22 C ATOM 216 NH1 ARG A 15 -18.920 3.531 0.756 1.00 62.50 N ATOM 217 NH2 ARG A 15 -18.548 5.034 -0.953 1.00 75.42 N ATOM 0 H ARG A 15 -12.141 2.708 1.451 1.00 3.05 H new ATOM 0 HA ARG A 15 -13.602 5.146 1.420 1.00 14.25 H new ATOM 0 HB2 ARG A 15 -14.246 2.380 2.544 1.00 51.20 H new ATOM 0 HB3 ARG A 15 -15.402 3.692 2.431 1.00 51.20 H new ATOM 0 HG2 ARG A 15 -14.610 3.729 -0.127 1.00 23.23 H new ATOM 0 HG3 ARG A 15 -14.135 2.078 0.221 1.00 23.23 H new ATOM 0 HD2 ARG A 15 -16.263 1.449 -0.218 1.00 62.20 H new ATOM 0 HD3 ARG A 15 -16.759 2.269 1.249 1.00 62.20 H new ATOM 0 HE ARG A 15 -16.530 3.700 -1.380 1.00 73.34 H new ATOM 0 HH11 ARG A 15 -18.611 2.736 1.315 1.00 62.50 H new ATOM 0 HH12 ARG A 15 -19.815 3.978 0.956 1.00 62.50 H new ATOM 0 HH21 ARG A 15 -17.955 5.390 -1.703 1.00 75.42 H new ATOM 0 HH22 ARG A 15 -19.442 5.482 -0.754 1.00 75.42 H new ATOM 228 N ARG A 16 -12.010 4.963 4.037 1.00 33.34 N ATOM 229 CA ARG A 16 -11.717 5.832 5.192 1.00 21.15 C ATOM 230 C ARG A 16 -10.608 6.857 4.966 1.00 12.45 C ATOM 231 O ARG A 16 -10.626 7.901 5.619 1.00 61.43 O ATOM 232 CB ARG A 16 -11.408 4.998 6.443 1.00 1.24 C ATOM 233 CG ARG A 16 -10.377 3.860 6.268 1.00 45.24 C ATOM 234 CD ARG A 16 -10.662 2.566 7.041 1.00 4.14 C ATOM 235 NE ARG A 16 -12.060 2.123 6.898 1.00 62.51 N ATOM 236 CZ ARG A 16 -12.740 1.350 7.747 1.00 23.01 C ATOM 237 NH1 ARG A 16 -12.190 0.904 8.868 1.00 22.25 N ATOM 238 NH2 ARG A 16 -13.989 1.010 7.460 1.00 64.14 N ATOM 0 H ARG A 16 -11.202 4.429 3.717 1.00 33.34 H new ATOM 0 HA ARG A 16 -12.630 6.410 5.337 1.00 21.15 H new ATOM 0 HB2 ARG A 16 -11.048 5.670 7.222 1.00 1.24 H new ATOM 0 HB3 ARG A 16 -12.340 4.563 6.803 1.00 1.24 H new ATOM 0 HG2 ARG A 16 -10.310 3.618 5.207 1.00 45.24 H new ATOM 0 HG3 ARG A 16 -9.399 4.233 6.572 1.00 45.24 H new ATOM 0 HD2 ARG A 16 -9.996 1.779 6.686 1.00 4.14 H new ATOM 0 HD3 ARG A 16 -10.439 2.720 8.097 1.00 4.14 H new ATOM 0 HE ARG A 16 -12.558 2.439 6.066 1.00 62.51 H new ATOM 0 HH11 ARG A 16 -11.227 1.151 9.097 1.00 22.25 H new ATOM 0 HH12 ARG A 16 -12.730 0.314 9.501 1.00 22.25 H new ATOM 0 HH21 ARG A 16 -14.422 1.339 6.597 1.00 64.14 H new ATOM 0 HH22 ARG A 16 -14.517 0.420 8.102 1.00 64.14 H new ATOM 249 N ALA A 17 -9.657 6.559 4.087 1.00 54.20 N ATOM 250 CA ALA A 17 -8.500 7.388 3.763 1.00 63.41 C ATOM 251 C ALA A 17 -8.943 8.699 3.125 1.00 35.14 C ATOM 252 O ALA A 17 -8.782 9.751 3.741 1.00 34.43 O ATOM 253 CB ALA A 17 -7.522 6.637 2.841 1.00 34.34 C ATOM 0 H ALA A 17 -9.673 5.689 3.554 1.00 54.20 H new ATOM 0 HA ALA A 17 -7.977 7.616 4.692 1.00 63.41 H new ATOM 0 HB1 ALA A 17 -6.670 7.278 2.616 1.00 34.34 H new ATOM 0 HB2 ALA A 17 -7.174 5.732 3.339 1.00 34.34 H new ATOM 0 HB3 ALA A 17 -8.029 6.369 1.914 1.00 34.34 H new ATOM 259 N GLU A 18 -9.498 8.659 1.906 1.00 73.32 N ATOM 260 CA GLU A 18 -9.840 9.898 1.209 1.00 33.22 C ATOM 261 C GLU A 18 -10.895 10.680 1.982 1.00 2.14 C ATOM 262 O GLU A 18 -10.816 11.896 2.147 1.00 64.33 O ATOM 263 CB GLU A 18 -10.229 9.698 -0.239 1.00 42.02 C ATOM 264 CG GLU A 18 -11.162 8.546 -0.429 1.00 41.11 C ATOM 265 CD GLU A 18 -12.127 8.745 -1.597 1.00 34.33 C ATOM 266 OE1 GLU A 18 -13.176 9.407 -1.379 1.00 21.13 O ATOM 267 OE2 GLU A 18 -11.884 8.254 -2.707 1.00 4.44 O ATOM 0 H GLU A 18 -9.714 7.803 1.395 1.00 73.32 H new ATOM 0 HA GLU A 18 -8.927 10.493 1.175 1.00 33.22 H new ATOM 0 HB2 GLU A 18 -10.699 10.607 -0.614 1.00 42.02 H new ATOM 0 HB3 GLU A 18 -9.330 9.535 -0.834 1.00 42.02 H new ATOM 0 HG2 GLU A 18 -10.581 7.639 -0.595 1.00 41.11 H new ATOM 0 HG3 GLU A 18 -11.734 8.394 0.486 1.00 41.11 H new ATOM 272 N LEU A 19 -11.837 9.931 2.542 1.00 62.21 N ATOM 273 CA LEU A 19 -12.913 10.370 3.401 1.00 13.34 C ATOM 274 C LEU A 19 -12.416 11.059 4.671 1.00 0.33 C ATOM 275 O LEU A 19 -13.177 11.775 5.306 1.00 71.32 O ATOM 276 CB LEU A 19 -13.683 9.103 3.750 1.00 55.03 C ATOM 277 CG LEU A 19 -15.074 9.340 4.347 1.00 52.12 C ATOM 278 CD1 LEU A 19 -16.024 9.972 3.329 1.00 63.33 C ATOM 279 CD2 LEU A 19 -15.591 7.953 4.701 1.00 20.13 C ATOM 0 H LEU A 19 -11.864 8.923 2.391 1.00 62.21 H new ATOM 0 HA LEU A 19 -13.527 11.115 2.894 1.00 13.34 H new ATOM 0 HB2 LEU A 19 -13.788 8.499 2.849 1.00 55.03 H new ATOM 0 HB3 LEU A 19 -13.094 8.520 4.458 1.00 55.03 H new ATOM 0 HG LEU A 19 -15.019 10.017 5.200 1.00 52.12 H new ATOM 0 HD11 LEU A 19 -17.000 10.125 3.789 1.00 63.33 H new ATOM 0 HD12 LEU A 19 -15.622 10.931 3.003 1.00 63.33 H new ATOM 0 HD13 LEU A 19 -16.128 9.311 2.469 1.00 63.33 H new ATOM 0 HD21 LEU A 19 -16.587 8.036 5.136 1.00 20.13 H new ATOM 0 HD22 LEU A 19 -15.639 7.342 3.800 1.00 20.13 H new ATOM 0 HD23 LEU A 19 -14.918 7.487 5.421 1.00 20.13 H new ATOM 290 N GLY A 20 -11.144 10.881 5.030 1.00 22.23 N ATOM 291 CA GLY A 20 -10.508 11.543 6.155 1.00 35.51 C ATOM 292 C GLY A 20 -9.923 12.907 5.796 1.00 3.25 C ATOM 293 O GLY A 20 -9.494 13.628 6.703 1.00 71.24 O ATOM 0 H GLY A 20 -10.516 10.254 4.528 1.00 22.23 H new ATOM 0 HA2 GLY A 20 -11.237 11.667 6.956 1.00 35.51 H new ATOM 0 HA3 GLY A 20 -9.714 10.905 6.543 1.00 35.51 H new ATOM 297 N GLY A 21 -9.906 13.256 4.507 1.00 15.31 N ATOM 298 CA GLY A 21 -9.377 14.498 3.972 1.00 32.51 C ATOM 299 C GLY A 21 -8.188 14.287 3.038 1.00 72.12 C ATOM 300 O GLY A 21 -7.444 15.244 2.828 1.00 62.55 O ATOM 0 H GLY A 21 -10.280 12.647 3.780 1.00 15.31 H new ATOM 0 HA2 GLY A 21 -10.167 15.021 3.433 1.00 32.51 H new ATOM 0 HA3 GLY A 21 -9.074 15.143 4.797 1.00 32.51 H new ATOM 304 N ALA A 22 -7.977 13.080 2.506 1.00 15.21 N ATOM 305 CA ALA A 22 -6.912 12.743 1.556 1.00 15.43 C ATOM 306 C ALA A 22 -7.531 12.496 0.174 1.00 41.04 C ATOM 307 O ALA A 22 -8.709 12.808 -0.032 1.00 2.33 O ATOM 308 CB ALA A 22 -6.169 11.507 2.076 1.00 43.02 C ATOM 0 H ALA A 22 -8.566 12.279 2.734 1.00 15.21 H new ATOM 0 HA ALA A 22 -6.197 13.560 1.460 1.00 15.43 H new ATOM 0 HB1 ALA A 22 -5.372 11.242 1.381 1.00 43.02 H new ATOM 0 HB2 ALA A 22 -5.739 11.725 3.054 1.00 43.02 H new ATOM 0 HB3 ALA A 22 -6.866 10.674 2.164 1.00 43.02 H new ATOM 314 N PHE A 23 -6.787 11.899 -0.755 1.00 23.43 N ATOM 315 CA PHE A 23 -7.343 11.233 -1.928 1.00 75.25 C ATOM 316 C PHE A 23 -6.568 9.937 -2.111 1.00 12.10 C ATOM 317 O PHE A 23 -5.337 9.940 -2.039 1.00 1.14 O ATOM 318 CB PHE A 23 -7.192 12.122 -3.171 1.00 1.03 C ATOM 319 CG PHE A 23 -8.142 11.801 -4.308 1.00 3.11 C ATOM 320 CD1 PHE A 23 -9.538 11.782 -4.096 1.00 31.41 C ATOM 321 CD2 PHE A 23 -7.635 11.592 -5.602 1.00 64.34 C ATOM 322 CE1 PHE A 23 -10.409 11.559 -5.178 1.00 40.01 C ATOM 323 CE2 PHE A 23 -8.509 11.370 -6.679 1.00 3.30 C ATOM 324 CZ PHE A 23 -9.898 11.366 -6.472 1.00 72.34 C ATOM 0 H PHE A 23 -5.768 11.865 -0.712 1.00 23.43 H new ATOM 0 HA PHE A 23 -8.406 11.036 -1.793 1.00 75.25 H new ATOM 0 HB2 PHE A 23 -7.340 13.161 -2.876 1.00 1.03 H new ATOM 0 HB3 PHE A 23 -6.169 12.037 -3.538 1.00 1.03 H new ATOM 0 HD1 PHE A 23 -9.936 11.938 -3.104 1.00 31.41 H new ATOM 0 HD2 PHE A 23 -6.568 11.602 -5.769 1.00 64.34 H new ATOM 0 HE1 PHE A 23 -11.476 11.536 -5.013 1.00 40.01 H new ATOM 0 HE2 PHE A 23 -8.112 11.202 -7.669 1.00 3.30 H new ATOM 0 HZ PHE A 23 -10.570 11.215 -7.304 1.00 72.34 H new ATOM 333 N ALA A 24 -7.266 8.820 -2.299 1.00 35.52 N ATOM 334 CA ALA A 24 -6.651 7.512 -2.407 1.00 51.11 C ATOM 335 C ALA A 24 -7.467 6.658 -3.368 1.00 64.24 C ATOM 336 O ALA A 24 -8.685 6.833 -3.445 1.00 71.21 O ATOM 337 CB ALA A 24 -6.621 6.886 -1.010 1.00 74.43 C ATOM 0 H ALA A 24 -8.283 8.804 -2.381 1.00 35.52 H new ATOM 0 HA ALA A 24 -5.634 7.585 -2.792 1.00 51.11 H new ATOM 0 HB1 ALA A 24 -6.162 5.899 -1.063 1.00 74.43 H new ATOM 0 HB2 ALA A 24 -6.041 7.520 -0.340 1.00 74.43 H new ATOM 0 HB3 ALA A 24 -7.639 6.793 -0.631 1.00 74.43 H new ATOM 343 N THR A 25 -6.841 5.693 -4.038 1.00 4.21 N ATOM 344 CA THR A 25 -7.509 4.814 -4.990 1.00 23.33 C ATOM 345 C THR A 25 -6.658 3.556 -5.229 1.00 12.02 C ATOM 346 O THR A 25 -5.602 3.371 -4.612 1.00 75.21 O ATOM 347 CB THR A 25 -7.865 5.605 -6.267 1.00 44.33 C ATOM 348 OG1 THR A 25 -8.894 4.952 -6.995 1.00 71.53 O ATOM 349 CG2 THR A 25 -6.644 5.828 -7.152 1.00 43.14 C ATOM 0 H THR A 25 -5.845 5.499 -3.933 1.00 4.21 H new ATOM 0 HA THR A 25 -8.457 4.453 -4.590 1.00 23.33 H new ATOM 0 HB THR A 25 -8.228 6.583 -5.952 1.00 44.33 H new ATOM 0 HG1 THR A 25 -9.105 5.471 -7.799 1.00 71.53 H new ATOM 0 HG21 THR A 25 -6.936 6.388 -8.040 1.00 43.14 H new ATOM 0 HG22 THR A 25 -5.892 6.391 -6.599 1.00 43.14 H new ATOM 0 HG23 THR A 25 -6.230 4.865 -7.450 1.00 43.14 H new ATOM 357 N VAL A 26 -7.141 2.678 -6.111 1.00 33.23 N ATOM 358 CA VAL A 26 -6.502 1.419 -6.457 1.00 14.12 C ATOM 359 C VAL A 26 -6.106 1.441 -7.943 1.00 74.54 C ATOM 360 O VAL A 26 -6.950 1.481 -8.838 1.00 35.35 O ATOM 361 CB VAL A 26 -7.405 0.261 -5.991 1.00 21.12 C ATOM 362 CG1 VAL A 26 -8.612 -0.028 -6.896 1.00 75.23 C ATOM 363 CG2 VAL A 26 -6.569 -1.001 -5.795 1.00 0.33 C ATOM 0 H VAL A 26 -8.014 2.834 -6.616 1.00 33.23 H new ATOM 0 HA VAL A 26 -5.559 1.261 -5.934 1.00 14.12 H new ATOM 0 HB VAL A 26 -7.836 0.587 -5.045 1.00 21.12 H new ATOM 0 HG11 VAL A 26 -9.185 -0.859 -6.484 1.00 75.23 H new ATOM 0 HG12 VAL A 26 -9.245 0.857 -6.952 1.00 75.23 H new ATOM 0 HG13 VAL A 26 -8.263 -0.288 -7.895 1.00 75.23 H new ATOM 0 HG21 VAL A 26 -7.213 -1.816 -5.465 1.00 0.33 H new ATOM 0 HG22 VAL A 26 -6.093 -1.272 -6.737 1.00 0.33 H new ATOM 0 HG23 VAL A 26 -5.803 -0.817 -5.042 1.00 0.33 H new ATOM 373 N ALA A 27 -4.799 1.459 -8.214 1.00 32.12 N ATOM 374 CA ALA A 27 -4.231 1.567 -9.561 1.00 71.20 C ATOM 375 C ALA A 27 -4.012 0.199 -10.230 1.00 75.32 C ATOM 376 O ALA A 27 -3.552 0.094 -11.370 1.00 53.24 O ATOM 377 CB ALA A 27 -2.913 2.332 -9.461 1.00 52.02 C ATOM 0 H ALA A 27 -4.088 1.397 -7.485 1.00 32.12 H new ATOM 0 HA ALA A 27 -4.942 2.099 -10.193 1.00 71.20 H new ATOM 0 HB1 ALA A 27 -2.470 2.425 -10.453 1.00 52.02 H new ATOM 0 HB2 ALA A 27 -3.099 3.325 -9.052 1.00 52.02 H new ATOM 0 HB3 ALA A 27 -2.228 1.792 -8.807 1.00 52.02 H new ATOM 383 N ARG A 28 -4.314 -0.889 -9.521 1.00 13.15 N ATOM 384 CA ARG A 28 -4.257 -2.252 -10.040 1.00 60.32 C ATOM 385 C ARG A 28 -5.465 -2.998 -9.512 1.00 73.54 C ATOM 386 O ARG A 28 -6.137 -2.523 -8.604 1.00 43.33 O ATOM 387 CB ARG A 28 -2.955 -2.950 -9.608 1.00 75.14 C ATOM 388 CG ARG A 28 -2.186 -3.723 -10.684 1.00 20.12 C ATOM 389 CD ARG A 28 -1.532 -2.782 -11.709 1.00 15.01 C ATOM 390 NE ARG A 28 -2.460 -2.458 -12.798 1.00 3.11 N ATOM 391 CZ ARG A 28 -2.753 -3.278 -13.819 1.00 15.43 C ATOM 392 NH1 ARG A 28 -2.126 -4.440 -13.980 1.00 22.13 N ATOM 393 NH2 ARG A 28 -3.703 -2.939 -14.674 1.00 22.42 N ATOM 0 H ARG A 28 -4.612 -0.844 -8.547 1.00 13.15 H new ATOM 0 HA ARG A 28 -4.267 -2.239 -11.130 1.00 60.32 H new ATOM 0 HB2 ARG A 28 -2.288 -2.194 -9.193 1.00 75.14 H new ATOM 0 HB3 ARG A 28 -3.194 -3.642 -8.801 1.00 75.14 H new ATOM 0 HG2 ARG A 28 -1.418 -4.336 -10.212 1.00 20.12 H new ATOM 0 HG3 ARG A 28 -2.865 -4.403 -11.198 1.00 20.12 H new ATOM 0 HD2 ARG A 28 -1.214 -1.865 -11.214 1.00 15.01 H new ATOM 0 HD3 ARG A 28 -0.637 -3.251 -12.118 1.00 15.01 H new ATOM 0 HE ARG A 28 -2.915 -1.545 -12.778 1.00 3.11 H new ATOM 0 HH11 ARG A 28 -1.404 -4.726 -13.319 1.00 22.13 H new ATOM 0 HH12 ARG A 28 -2.367 -5.045 -14.765 1.00 22.13 H new ATOM 0 HH21 ARG A 28 -4.207 -2.060 -14.555 1.00 22.42 H new ATOM 0 HH22 ARG A 28 -3.932 -3.556 -15.453 1.00 22.42 H new ATOM 404 N LYS A 29 -5.669 -4.202 -10.014 1.00 53.01 N ATOM 405 CA LYS A 29 -6.607 -5.160 -9.484 1.00 32.15 C ATOM 406 C LYS A 29 -5.915 -6.491 -9.664 1.00 22.21 C ATOM 407 O LYS A 29 -5.634 -6.865 -10.803 1.00 71.13 O ATOM 408 CB LYS A 29 -7.906 -5.039 -10.275 1.00 73.23 C ATOM 409 CG LYS A 29 -8.925 -6.124 -9.926 1.00 71.14 C ATOM 410 CD LYS A 29 -10.188 -5.925 -10.772 1.00 53.40 C ATOM 411 CE LYS A 29 -11.267 -5.078 -10.102 1.00 31.11 C ATOM 412 NZ LYS A 29 -11.823 -5.727 -8.893 1.00 12.03 N ATOM 0 H LYS A 29 -5.165 -4.547 -10.831 1.00 53.01 H new ATOM 0 HA LYS A 29 -6.875 -5.017 -8.437 1.00 32.15 H new ATOM 0 HB2 LYS A 29 -8.348 -4.060 -10.088 1.00 73.23 H new ATOM 0 HB3 LYS A 29 -7.681 -5.089 -11.340 1.00 73.23 H new ATOM 0 HG2 LYS A 29 -8.501 -7.111 -10.112 1.00 71.14 H new ATOM 0 HG3 LYS A 29 -9.173 -6.078 -8.866 1.00 71.14 H new ATOM 0 HD2 LYS A 29 -9.909 -5.456 -11.716 1.00 53.40 H new ATOM 0 HD3 LYS A 29 -10.607 -6.902 -11.013 1.00 53.40 H new ATOM 0 HE2 LYS A 29 -10.848 -4.109 -9.831 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -12.072 -4.890 -10.813 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -12.725 -5.275 -8.640 1.00 12.03 H new ATOM 0 HZ2 LYS A 29 -11.983 -6.737 -9.083 1.00 12.03 H new ATOM 0 HZ3 LYS A 29 -11.152 -5.625 -8.105 1.00 12.03 H new ATOM 422 N GLY A 30 -5.596 -7.138 -8.558 1.00 71.32 N ATOM 423 CA GLY A 30 -5.010 -8.456 -8.529 1.00 63.44 C ATOM 424 C GLY A 30 -6.043 -9.438 -7.997 1.00 3.14 C ATOM 425 O GLY A 30 -7.254 -9.184 -8.035 1.00 73.44 O ATOM 0 H GLY A 30 -5.744 -6.744 -7.629 1.00 71.32 H new ATOM 0 HA2 GLY A 30 -4.690 -8.749 -9.529 1.00 63.44 H new ATOM 0 HA3 GLY A 30 -4.123 -8.461 -7.896 1.00 63.44 H new ATOM 429 N ASP A 31 -5.554 -10.548 -7.454 1.00 62.21 N ATOM 430 CA ASP A 31 -6.407 -11.591 -6.900 1.00 42.04 C ATOM 431 C ASP A 31 -7.070 -11.092 -5.615 1.00 20.13 C ATOM 432 O ASP A 31 -6.384 -10.590 -4.722 1.00 34.51 O ATOM 433 CB ASP A 31 -5.592 -12.849 -6.627 1.00 34.41 C ATOM 434 CG ASP A 31 -6.524 -13.988 -6.251 1.00 63.20 C ATOM 435 OD1 ASP A 31 -6.948 -14.072 -5.080 1.00 51.14 O ATOM 436 OD2 ASP A 31 -6.814 -14.815 -7.148 1.00 15.41 O ATOM 0 H ASP A 31 -4.556 -10.749 -7.386 1.00 62.21 H new ATOM 0 HA ASP A 31 -7.185 -11.836 -7.623 1.00 42.04 H new ATOM 0 HB2 ASP A 31 -5.011 -13.117 -7.510 1.00 34.41 H new ATOM 0 HB3 ASP A 31 -4.881 -12.666 -5.821 1.00 34.41 H new ATOM 440 N ALA A 32 -8.399 -11.169 -5.523 1.00 62.43 N ATOM 441 CA ALA A 32 -9.169 -10.601 -4.430 1.00 14.32 C ATOM 442 C ALA A 32 -9.212 -11.494 -3.194 1.00 54.51 C ATOM 443 O ALA A 32 -9.694 -11.026 -2.158 1.00 53.32 O ATOM 444 CB ALA A 32 -10.597 -10.328 -4.906 1.00 62.11 C ATOM 0 H ALA A 32 -8.975 -11.638 -6.222 1.00 62.43 H new ATOM 0 HA ALA A 32 -8.670 -9.678 -4.137 1.00 14.32 H new ATOM 0 HB1 ALA A 32 -11.178 -9.902 -4.088 1.00 62.11 H new ATOM 0 HB2 ALA A 32 -10.575 -9.626 -5.740 1.00 62.11 H new ATOM 0 HB3 ALA A 32 -11.057 -11.261 -5.230 1.00 62.11 H new ATOM 450 N ARG A 33 -8.771 -12.756 -3.259 1.00 15.22 N ATOM 451 CA ARG A 33 -8.515 -13.552 -2.061 1.00 12.15 C ATOM 452 C ARG A 33 -7.101 -13.239 -1.593 1.00 2.45 C ATOM 453 O ARG A 33 -6.957 -12.675 -0.511 1.00 5.13 O ATOM 454 CB ARG A 33 -8.707 -15.069 -2.282 1.00 22.34 C ATOM 455 CG ARG A 33 -10.178 -15.515 -2.280 1.00 20.41 C ATOM 456 CD ARG A 33 -10.840 -15.365 -3.655 1.00 42.30 C ATOM 457 NE ARG A 33 -12.297 -15.142 -3.575 1.00 11.51 N ATOM 458 CZ ARG A 33 -12.888 -13.968 -3.298 1.00 14.31 C ATOM 459 NH1 ARG A 33 -12.174 -12.947 -2.846 1.00 60.13 N ATOM 460 NH2 ARG A 33 -14.186 -13.789 -3.487 1.00 11.42 N ATOM 0 H ARG A 33 -8.585 -13.246 -4.134 1.00 15.22 H new ATOM 0 HA ARG A 33 -9.247 -13.283 -1.299 1.00 12.15 H new ATOM 0 HB2 ARG A 33 -8.254 -15.348 -3.233 1.00 22.34 H new ATOM 0 HB3 ARG A 33 -8.172 -15.611 -1.502 1.00 22.34 H new ATOM 0 HG2 ARG A 33 -10.238 -16.556 -1.963 1.00 20.41 H new ATOM 0 HG3 ARG A 33 -10.731 -14.927 -1.548 1.00 20.41 H new ATOM 0 HD2 ARG A 33 -10.379 -14.531 -4.184 1.00 42.30 H new ATOM 0 HD3 ARG A 33 -10.648 -16.262 -4.244 1.00 42.30 H new ATOM 0 HE ARG A 33 -12.904 -15.944 -3.744 1.00 11.51 H new ATOM 0 HH11 ARG A 33 -11.169 -13.050 -2.706 1.00 60.13 H new ATOM 0 HH12 ARG A 33 -12.630 -12.058 -2.638 1.00 60.13 H new ATOM 0 HH21 ARG A 33 -14.758 -14.551 -3.850 1.00 11.42 H new ATOM 0 HH22 ARG A 33 -14.614 -12.889 -3.270 1.00 11.42 H new ATOM 471 N ALA A 34 -6.097 -13.608 -2.390 1.00 43.31 N ATOM 472 CA ALA A 34 -4.729 -13.852 -1.964 1.00 74.24 C ATOM 473 C ALA A 34 -3.756 -13.302 -3.009 1.00 50.34 C ATOM 474 O ALA A 34 -2.776 -13.954 -3.377 1.00 43.54 O ATOM 475 CB ALA A 34 -4.547 -15.358 -1.712 1.00 10.53 C ATOM 0 H ALA A 34 -6.227 -13.749 -3.392 1.00 43.31 H new ATOM 0 HA ALA A 34 -4.514 -13.332 -1.030 1.00 74.24 H new ATOM 0 HB1 ALA A 34 -3.523 -15.552 -1.392 1.00 10.53 H new ATOM 0 HB2 ALA A 34 -5.238 -15.683 -0.934 1.00 10.53 H new ATOM 0 HB3 ALA A 34 -4.750 -15.908 -2.631 1.00 10.53 H new ATOM 481 N GLY A 35 -4.052 -12.129 -3.560 1.00 33.02 N ATOM 482 CA GLY A 35 -3.077 -11.315 -4.256 1.00 45.42 C ATOM 483 C GLY A 35 -2.330 -10.454 -3.236 1.00 32.23 C ATOM 484 O GLY A 35 -2.932 -9.997 -2.256 1.00 44.20 O ATOM 0 H GLY A 35 -4.985 -11.718 -3.533 1.00 33.02 H new ATOM 0 HA2 GLY A 35 -2.376 -11.949 -4.799 1.00 45.42 H new ATOM 0 HA3 GLY A 35 -3.572 -10.682 -4.993 1.00 45.42 H new ATOM 488 N ALA A 36 -1.042 -10.217 -3.490 1.00 44.42 N ATOM 489 CA ALA A 36 -0.222 -9.255 -2.764 1.00 72.03 C ATOM 490 C ALA A 36 -0.605 -7.827 -3.179 1.00 22.45 C ATOM 491 O ALA A 36 -1.326 -7.632 -4.154 1.00 3.43 O ATOM 492 CB ALA A 36 1.251 -9.525 -3.097 1.00 31.03 C ATOM 0 H ALA A 36 -0.530 -10.703 -4.226 1.00 44.42 H new ATOM 0 HA ALA A 36 -0.383 -9.357 -1.691 1.00 72.03 H new ATOM 0 HB1 ALA A 36 1.881 -8.814 -2.562 1.00 31.03 H new ATOM 0 HB2 ALA A 36 1.512 -10.539 -2.796 1.00 31.03 H new ATOM 0 HB3 ALA A 36 1.408 -9.413 -4.170 1.00 31.03 H new ATOM 498 N VAL A 37 -0.103 -6.812 -2.476 1.00 11.24 N ATOM 499 CA VAL A 37 -0.434 -5.409 -2.630 1.00 45.41 C ATOM 500 C VAL A 37 0.822 -4.596 -2.338 1.00 14.13 C ATOM 501 O VAL A 37 1.641 -5.000 -1.507 1.00 10.31 O ATOM 502 CB VAL A 37 -1.592 -5.038 -1.653 1.00 31.11 C ATOM 503 CG1 VAL A 37 -1.962 -6.138 -0.652 1.00 34.44 C ATOM 504 CG2 VAL A 37 -1.744 -3.531 -1.363 1.00 3.02 C ATOM 0 H VAL A 37 0.587 -6.965 -1.741 1.00 11.24 H new ATOM 0 HA VAL A 37 -0.774 -5.193 -3.643 1.00 45.41 H new ATOM 0 HB VAL A 37 -2.552 -5.090 -2.166 1.00 31.11 H new ATOM 0 HG11 VAL A 37 -2.775 -5.791 -0.015 1.00 34.44 H new ATOM 0 HG12 VAL A 37 -2.279 -7.030 -1.192 1.00 34.44 H new ATOM 0 HG13 VAL A 37 -1.095 -6.376 -0.036 1.00 34.44 H new ATOM 0 HG21 VAL A 37 -2.575 -3.375 -0.675 1.00 3.02 H new ATOM 0 HG22 VAL A 37 -0.825 -3.152 -0.915 1.00 3.02 H new ATOM 0 HG23 VAL A 37 -1.940 -2.999 -2.294 1.00 3.02 H new ATOM 514 N LEU A 38 0.915 -3.418 -2.957 1.00 70.41 N ATOM 515 CA LEU A 38 1.812 -2.333 -2.591 1.00 54.04 C ATOM 516 C LEU A 38 0.968 -1.180 -2.092 1.00 51.02 C ATOM 517 O LEU A 38 -0.090 -0.914 -2.664 1.00 24.24 O ATOM 518 CB LEU A 38 2.595 -1.849 -3.817 1.00 72.24 C ATOM 519 CG LEU A 38 3.480 -2.916 -4.464 1.00 24.31 C ATOM 520 CD1 LEU A 38 4.265 -2.285 -5.616 1.00 24.31 C ATOM 521 CD2 LEU A 38 4.434 -3.546 -3.461 1.00 53.13 C ATOM 0 H LEU A 38 0.337 -3.189 -3.765 1.00 70.41 H new ATOM 0 HA LEU A 38 2.511 -2.682 -1.831 1.00 54.04 H new ATOM 0 HB2 LEU A 38 1.889 -1.480 -4.561 1.00 72.24 H new ATOM 0 HB3 LEU A 38 3.220 -1.005 -3.524 1.00 72.24 H new ATOM 0 HG LEU A 38 2.837 -3.712 -4.841 1.00 24.31 H new ATOM 0 HD11 LEU A 38 4.898 -3.040 -6.082 1.00 24.31 H new ATOM 0 HD12 LEU A 38 3.570 -1.888 -6.356 1.00 24.31 H new ATOM 0 HD13 LEU A 38 4.887 -1.476 -5.232 1.00 24.31 H new ATOM 0 HD21 LEU A 38 5.044 -4.298 -3.962 1.00 53.13 H new ATOM 0 HD22 LEU A 38 5.081 -2.776 -3.040 1.00 53.13 H new ATOM 0 HD23 LEU A 38 3.862 -4.016 -2.661 1.00 53.13 H new ATOM 532 N VAL A 39 1.458 -0.478 -1.073 1.00 63.10 N ATOM 533 CA VAL A 39 0.870 0.768 -0.599 1.00 12.03 C ATOM 534 C VAL A 39 1.982 1.803 -0.683 1.00 64.51 C ATOM 535 O VAL A 39 2.792 1.953 0.235 1.00 10.01 O ATOM 536 CB VAL A 39 0.233 0.631 0.802 1.00 4.05 C ATOM 537 CG1 VAL A 39 -0.465 1.936 1.217 1.00 33.53 C ATOM 538 CG2 VAL A 39 -0.795 -0.507 0.866 1.00 54.43 C ATOM 0 H VAL A 39 2.285 -0.764 -0.548 1.00 63.10 H new ATOM 0 HA VAL A 39 0.025 1.076 -1.215 1.00 12.03 H new ATOM 0 HB VAL A 39 1.051 0.405 1.486 1.00 4.05 H new ATOM 0 HG11 VAL A 39 -0.906 1.814 2.207 1.00 33.53 H new ATOM 0 HG12 VAL A 39 0.263 2.746 1.241 1.00 33.53 H new ATOM 0 HG13 VAL A 39 -1.249 2.174 0.498 1.00 33.53 H new ATOM 0 HG21 VAL A 39 -1.214 -0.563 1.871 1.00 54.43 H new ATOM 0 HG22 VAL A 39 -1.594 -0.316 0.150 1.00 54.43 H new ATOM 0 HG23 VAL A 39 -0.308 -1.451 0.623 1.00 54.43 H new ATOM 548 N LYS A 40 2.074 2.489 -1.816 1.00 5.34 N ATOM 549 CA LYS A 40 2.929 3.656 -1.936 1.00 50.32 C ATOM 550 C LYS A 40 2.134 4.817 -1.340 1.00 23.33 C ATOM 551 O LYS A 40 1.002 5.068 -1.760 1.00 44.32 O ATOM 552 CB LYS A 40 3.335 3.820 -3.403 1.00 21.21 C ATOM 553 CG LYS A 40 4.140 5.104 -3.623 1.00 2.34 C ATOM 554 CD LYS A 40 4.520 5.311 -5.100 1.00 22.20 C ATOM 555 CE LYS A 40 4.533 6.826 -5.338 1.00 31.22 C ATOM 556 NZ LYS A 40 4.787 7.229 -6.750 1.00 44.01 N ATOM 0 H LYS A 40 1.563 2.253 -2.667 1.00 5.34 H new ATOM 0 HA LYS A 40 3.872 3.586 -1.394 1.00 50.32 H new ATOM 0 HB2 LYS A 40 3.927 2.960 -3.716 1.00 21.21 H new ATOM 0 HB3 LYS A 40 2.443 3.837 -4.029 1.00 21.21 H new ATOM 0 HG2 LYS A 40 3.558 5.958 -3.277 1.00 2.34 H new ATOM 0 HG3 LYS A 40 5.046 5.070 -3.019 1.00 2.34 H new ATOM 0 HD2 LYS A 40 5.496 4.876 -5.314 1.00 22.20 H new ATOM 0 HD3 LYS A 40 3.802 4.821 -5.758 1.00 22.20 H new ATOM 0 HE2 LYS A 40 3.575 7.238 -5.023 1.00 31.22 H new ATOM 0 HE3 LYS A 40 5.297 7.274 -4.703 1.00 31.22 H new ATOM 0 HZ1 LYS A 40 5.505 7.981 -6.773 1.00 44.01 H new ATOM 0 HZ2 LYS A 40 5.128 6.408 -7.289 1.00 44.01 H new ATOM 0 HZ3 LYS A 40 3.905 7.580 -7.175 1.00 44.01 H new ATOM 566 N ALA A 41 2.700 5.467 -0.326 1.00 70.55 N ATOM 567 CA ALA A 41 2.077 6.530 0.444 1.00 74.24 C ATOM 568 C ALA A 41 2.936 7.776 0.243 1.00 4.20 C ATOM 569 O ALA A 41 4.117 7.769 0.601 1.00 62.35 O ATOM 570 CB ALA A 41 1.985 6.098 1.917 1.00 42.23 C ATOM 0 H ALA A 41 3.646 5.255 -0.008 1.00 70.55 H new ATOM 0 HA ALA A 41 1.059 6.745 0.120 1.00 74.24 H new ATOM 0 HB1 ALA A 41 1.518 6.892 2.500 1.00 42.23 H new ATOM 0 HB2 ALA A 41 1.386 5.191 1.993 1.00 42.23 H new ATOM 0 HB3 ALA A 41 2.986 5.905 2.303 1.00 42.23 H new ATOM 576 N VAL A 42 2.371 8.813 -0.370 1.00 73.44 N ATOM 577 CA VAL A 42 3.101 10.009 -0.755 1.00 3.44 C ATOM 578 C VAL A 42 2.657 11.146 0.151 1.00 44.45 C ATOM 579 O VAL A 42 1.459 11.371 0.364 1.00 5.21 O ATOM 580 CB VAL A 42 2.938 10.287 -2.258 1.00 14.40 C ATOM 581 CG1 VAL A 42 3.761 11.498 -2.705 1.00 10.10 C ATOM 582 CG2 VAL A 42 3.422 9.074 -3.071 1.00 72.42 C ATOM 0 H VAL A 42 1.381 8.843 -0.615 1.00 73.44 H new ATOM 0 HA VAL A 42 4.175 9.883 -0.616 1.00 3.44 H new ATOM 0 HB VAL A 42 1.880 10.484 -2.432 1.00 14.40 H new ATOM 0 HG11 VAL A 42 3.618 11.661 -3.773 1.00 10.10 H new ATOM 0 HG12 VAL A 42 3.435 12.382 -2.157 1.00 10.10 H new ATOM 0 HG13 VAL A 42 4.817 11.315 -2.504 1.00 10.10 H new ATOM 0 HG21 VAL A 42 3.303 9.278 -4.135 1.00 72.42 H new ATOM 0 HG22 VAL A 42 4.473 8.886 -2.853 1.00 72.42 H new ATOM 0 HG23 VAL A 42 2.833 8.197 -2.802 1.00 72.42 H new ATOM 592 N ASP A 43 3.663 11.802 0.722 1.00 4.30 N ATOM 593 CA ASP A 43 3.541 12.980 1.557 1.00 13.40 C ATOM 594 C ASP A 43 3.687 14.212 0.661 1.00 11.41 C ATOM 595 O ASP A 43 4.496 14.227 -0.265 1.00 64.42 O ATOM 596 CB ASP A 43 4.667 12.904 2.596 1.00 31.51 C ATOM 597 CG ASP A 43 4.615 14.021 3.621 1.00 71.34 C ATOM 598 OD1 ASP A 43 4.704 15.181 3.201 1.00 1.44 O ATOM 599 OD2 ASP A 43 4.559 13.718 4.840 1.00 25.12 O ATOM 0 H ASP A 43 4.632 11.507 0.605 1.00 4.30 H new ATOM 0 HA ASP A 43 2.579 13.040 2.067 1.00 13.40 H new ATOM 0 HB2 ASP A 43 4.612 11.945 3.111 1.00 31.51 H new ATOM 0 HB3 ASP A 43 5.628 12.936 2.083 1.00 31.51 H new ATOM 603 N ARG A 44 2.904 15.258 0.906 1.00 72.22 N ATOM 604 CA ARG A 44 2.941 16.512 0.158 1.00 73.42 C ATOM 605 C ARG A 44 3.197 17.714 1.068 1.00 74.45 C ATOM 606 O ARG A 44 3.276 18.837 0.575 1.00 21.31 O ATOM 607 CB ARG A 44 1.640 16.654 -0.648 1.00 55.44 C ATOM 608 CG ARG A 44 1.594 15.698 -1.852 1.00 4.24 C ATOM 609 CD ARG A 44 2.608 16.060 -2.951 1.00 1.03 C ATOM 610 NE ARG A 44 2.377 17.415 -3.495 1.00 62.21 N ATOM 611 CZ ARG A 44 2.648 17.825 -4.740 1.00 42.31 C ATOM 612 NH1 ARG A 44 3.318 17.050 -5.584 1.00 22.54 N ATOM 613 NH2 ARG A 44 2.242 19.029 -5.115 1.00 14.30 N ATOM 0 H ARG A 44 2.207 15.258 1.651 1.00 72.22 H new ATOM 0 HA ARG A 44 3.781 16.488 -0.537 1.00 73.42 H new ATOM 0 HB2 ARG A 44 0.788 16.457 0.003 1.00 55.44 H new ATOM 0 HB3 ARG A 44 1.542 17.682 -0.998 1.00 55.44 H new ATOM 0 HG2 ARG A 44 1.787 14.682 -1.509 1.00 4.24 H new ATOM 0 HG3 ARG A 44 0.590 15.706 -2.276 1.00 4.24 H new ATOM 0 HD2 ARG A 44 3.618 16.000 -2.546 1.00 1.03 H new ATOM 0 HD3 ARG A 44 2.544 15.330 -3.758 1.00 1.03 H new ATOM 0 HE ARG A 44 1.972 18.104 -2.861 1.00 62.21 H new ATOM 0 HH11 ARG A 44 3.635 16.127 -5.287 1.00 22.54 H new ATOM 0 HH12 ARG A 44 3.516 17.378 -6.529 1.00 22.54 H new ATOM 0 HH21 ARG A 44 1.734 19.623 -4.460 1.00 14.30 H new ATOM 0 HH22 ARG A 44 2.438 19.362 -6.059 1.00 14.30 H new ATOM 624 N ARG A 45 3.285 17.527 2.385 1.00 2.00 N ATOM 625 CA ARG A 45 3.493 18.546 3.384 1.00 71.11 C ATOM 626 C ARG A 45 4.969 18.678 3.726 1.00 72.24 C ATOM 627 O ARG A 45 5.494 19.790 3.766 1.00 62.23 O ATOM 628 CB ARG A 45 2.686 18.082 4.596 1.00 72.33 C ATOM 629 CG ARG A 45 2.385 19.252 5.497 1.00 51.02 C ATOM 630 CD ARG A 45 1.432 18.806 6.610 1.00 43.34 C ATOM 631 NE ARG A 45 1.943 19.159 7.940 1.00 53.35 N ATOM 632 CZ ARG A 45 1.389 18.776 9.092 1.00 41.35 C ATOM 633 NH1 ARG A 45 0.587 17.721 9.136 1.00 10.44 N ATOM 634 NH2 ARG A 45 1.625 19.494 10.182 1.00 61.45 N ATOM 0 H ARG A 45 3.206 16.597 2.796 1.00 2.00 H new ATOM 0 HA ARG A 45 3.175 19.529 3.038 1.00 71.11 H new ATOM 0 HB2 ARG A 45 1.756 17.618 4.267 1.00 72.33 H new ATOM 0 HB3 ARG A 45 3.244 17.324 5.146 1.00 72.33 H new ATOM 0 HG2 ARG A 45 3.308 19.640 5.928 1.00 51.02 H new ATOM 0 HG3 ARG A 45 1.936 20.062 4.922 1.00 51.02 H new ATOM 0 HD2 ARG A 45 0.457 19.269 6.461 1.00 43.34 H new ATOM 0 HD3 ARG A 45 1.285 17.728 6.552 1.00 43.34 H new ATOM 0 HE ARG A 45 2.781 19.738 7.987 1.00 53.35 H new ATOM 0 HH11 ARG A 45 0.389 17.195 8.285 1.00 10.44 H new ATOM 0 HH12 ARG A 45 0.168 17.435 10.021 1.00 10.44 H new ATOM 0 HH21 ARG A 45 2.220 20.321 10.129 1.00 61.45 H new ATOM 0 HH22 ARG A 45 1.212 19.219 11.073 1.00 61.45 H new ATOM 645 N GLU A 46 5.626 17.559 3.999 1.00 44.21 N ATOM 646 CA GLU A 46 7.069 17.387 4.003 1.00 43.42 C ATOM 647 C GLU A 46 7.546 16.977 2.606 1.00 63.42 C ATOM 648 O GLU A 46 8.743 17.063 2.346 1.00 62.25 O ATOM 649 CB GLU A 46 7.509 16.361 5.067 1.00 3.31 C ATOM 650 CG GLU A 46 6.778 16.522 6.411 1.00 70.52 C ATOM 651 CD GLU A 46 7.621 16.192 7.643 1.00 11.41 C ATOM 652 OE1 GLU A 46 8.704 16.800 7.827 1.00 71.24 O ATOM 653 OE2 GLU A 46 7.141 15.458 8.535 1.00 30.21 O ATOM 0 H GLU A 46 5.135 16.697 4.237 1.00 44.21 H new ATOM 0 HA GLU A 46 7.532 18.338 4.265 1.00 43.42 H new ATOM 0 HB2 GLU A 46 7.334 15.355 4.685 1.00 3.31 H new ATOM 0 HB3 GLU A 46 8.582 16.457 5.232 1.00 3.31 H new ATOM 0 HG2 GLU A 46 6.424 17.549 6.495 1.00 70.52 H new ATOM 0 HG3 GLU A 46 5.897 15.880 6.409 1.00 70.52 H new ATOM 658 N GLY A 47 6.650 16.592 1.685 1.00 11.42 N ATOM 659 CA GLY A 47 6.960 16.424 0.267 1.00 43.31 C ATOM 660 C GLY A 47 7.751 15.148 -0.010 1.00 24.11 C ATOM 661 O GLY A 47 8.382 15.027 -1.063 1.00 1.01 O ATOM 0 H GLY A 47 5.677 16.387 1.913 1.00 11.42 H new ATOM 0 HA2 GLY A 47 6.032 16.404 -0.305 1.00 43.31 H new ATOM 0 HA3 GLY A 47 7.531 17.285 -0.082 1.00 43.31 H new ATOM 665 N THR A 48 7.753 14.222 0.944 1.00 45.04 N ATOM 666 CA THR A 48 8.479 12.963 0.916 1.00 52.03 C ATOM 667 C THR A 48 7.613 11.878 0.254 1.00 34.34 C ATOM 668 O THR A 48 6.469 12.124 -0.137 1.00 31.51 O ATOM 669 CB THR A 48 8.911 12.627 2.361 1.00 63.14 C ATOM 670 OG1 THR A 48 7.873 12.878 3.294 1.00 72.34 O ATOM 671 CG2 THR A 48 10.078 13.496 2.831 1.00 25.34 C ATOM 0 H THR A 48 7.217 14.340 1.804 1.00 45.04 H new ATOM 0 HA THR A 48 9.383 13.029 0.311 1.00 52.03 H new ATOM 0 HB THR A 48 9.183 11.572 2.328 1.00 63.14 H new ATOM 0 HG1 THR A 48 8.182 12.652 4.196 1.00 72.34 H new ATOM 0 HG21 THR A 48 10.346 13.224 3.852 1.00 25.34 H new ATOM 0 HG22 THR A 48 10.935 13.339 2.176 1.00 25.34 H new ATOM 0 HG23 THR A 48 9.785 14.546 2.801 1.00 25.34 H new ATOM 679 N ALA A 49 8.130 10.659 0.113 1.00 5.23 N ATOM 680 CA ALA A 49 7.328 9.521 -0.296 1.00 63.35 C ATOM 681 C ALA A 49 7.933 8.268 0.330 1.00 10.34 C ATOM 682 O ALA A 49 9.128 8.229 0.623 1.00 63.15 O ATOM 683 CB ALA A 49 7.278 9.448 -1.827 1.00 33.14 C ATOM 0 H ALA A 49 9.112 10.439 0.279 1.00 5.23 H new ATOM 0 HA ALA A 49 6.298 9.616 0.048 1.00 63.35 H new ATOM 0 HB1 ALA A 49 6.675 8.592 -2.131 1.00 33.14 H new ATOM 0 HB2 ALA A 49 6.835 10.363 -2.221 1.00 33.14 H new ATOM 0 HB3 ALA A 49 8.289 9.337 -2.219 1.00 33.14 H new ATOM 689 N ARG A 50 7.103 7.244 0.522 1.00 34.54 N ATOM 690 CA ARG A 50 7.485 5.973 1.136 1.00 61.23 C ATOM 691 C ARG A 50 6.713 4.850 0.464 1.00 70.35 C ATOM 692 O ARG A 50 5.612 5.093 -0.046 1.00 52.34 O ATOM 693 CB ARG A 50 7.251 6.009 2.660 1.00 11.03 C ATOM 694 CG ARG A 50 5.992 6.785 3.086 1.00 73.55 C ATOM 695 CD ARG A 50 5.747 6.655 4.587 1.00 74.32 C ATOM 696 NE ARG A 50 4.976 7.795 5.126 1.00 1.41 N ATOM 697 CZ ARG A 50 5.393 8.646 6.077 1.00 52.32 C ATOM 698 NH1 ARG A 50 6.571 8.477 6.668 1.00 44.22 N ATOM 699 NH2 ARG A 50 4.618 9.661 6.456 1.00 63.25 N ATOM 0 H ARG A 50 6.121 7.276 0.248 1.00 34.54 H new ATOM 0 HA ARG A 50 8.551 5.796 0.990 1.00 61.23 H new ATOM 0 HB2 ARG A 50 7.176 4.986 3.029 1.00 11.03 H new ATOM 0 HB3 ARG A 50 8.121 6.458 3.139 1.00 11.03 H new ATOM 0 HG2 ARG A 50 6.103 7.837 2.822 1.00 73.55 H new ATOM 0 HG3 ARG A 50 5.127 6.409 2.539 1.00 73.55 H new ATOM 0 HD2 ARG A 50 5.210 5.728 4.787 1.00 74.32 H new ATOM 0 HD3 ARG A 50 6.703 6.588 5.105 1.00 74.32 H new ATOM 0 HE ARG A 50 4.044 7.949 4.741 1.00 1.41 H new ATOM 0 HH11 ARG A 50 7.168 7.695 6.400 1.00 44.22 H new ATOM 0 HH12 ARG A 50 6.878 9.130 7.389 1.00 44.22 H new ATOM 0 HH21 ARG A 50 3.704 9.794 6.023 1.00 63.25 H new ATOM 0 HH22 ARG A 50 4.939 10.305 7.179 1.00 63.25 H new ATOM 710 N LEU A 51 7.263 3.632 0.468 1.00 34.30 N ATOM 711 CA LEU A 51 6.696 2.531 -0.307 1.00 62.31 C ATOM 712 C LEU A 51 6.637 1.273 0.520 1.00 70.41 C ATOM 713 O LEU A 51 7.672 0.722 0.894 1.00 13.21 O ATOM 714 CB LEU A 51 7.459 2.318 -1.625 1.00 4.20 C ATOM 715 CG LEU A 51 6.494 1.956 -2.758 1.00 23.31 C ATOM 716 CD1 LEU A 51 7.103 2.310 -4.101 1.00 24.51 C ATOM 717 CD2 LEU A 51 6.064 0.499 -2.844 1.00 42.34 C ATOM 0 H LEU A 51 8.099 3.387 0.999 1.00 34.30 H new ATOM 0 HA LEU A 51 5.674 2.797 -0.576 1.00 62.31 H new ATOM 0 HB2 LEU A 51 8.008 3.224 -1.884 1.00 4.20 H new ATOM 0 HB3 LEU A 51 8.195 1.524 -1.500 1.00 4.20 H new ATOM 0 HG LEU A 51 5.603 2.536 -2.517 1.00 23.31 H new ATOM 0 HD11 LEU A 51 6.406 2.047 -4.897 1.00 24.51 H new ATOM 0 HD12 LEU A 51 7.308 3.380 -4.137 1.00 24.51 H new ATOM 0 HD13 LEU A 51 8.033 1.758 -4.236 1.00 24.51 H new ATOM 0 HD21 LEU A 51 5.383 0.370 -3.685 1.00 42.34 H new ATOM 0 HD22 LEU A 51 6.941 -0.131 -2.988 1.00 42.34 H new ATOM 0 HD23 LEU A 51 5.559 0.213 -1.921 1.00 42.34 H new ATOM 728 N PHE A 52 5.413 0.844 0.812 1.00 62.53 N ATOM 729 CA PHE A 52 5.186 -0.330 1.633 1.00 65.52 C ATOM 730 C PHE A 52 4.816 -1.507 0.724 1.00 64.15 C ATOM 731 O PHE A 52 4.187 -1.328 -0.322 1.00 61.51 O ATOM 732 CB PHE A 52 4.050 -0.074 2.631 1.00 53.15 C ATOM 733 CG PHE A 52 4.277 1.105 3.556 1.00 73.43 C ATOM 734 CD1 PHE A 52 5.357 1.062 4.451 1.00 62.14 C ATOM 735 CD2 PHE A 52 3.436 2.234 3.529 1.00 52.21 C ATOM 736 CE1 PHE A 52 5.610 2.141 5.313 1.00 65.44 C ATOM 737 CE2 PHE A 52 3.679 3.308 4.408 1.00 44.34 C ATOM 738 CZ PHE A 52 4.757 3.256 5.312 1.00 73.51 C ATOM 0 H PHE A 52 4.560 1.299 0.487 1.00 62.53 H new ATOM 0 HA PHE A 52 6.093 -0.559 2.192 1.00 65.52 H new ATOM 0 HB2 PHE A 52 3.126 0.089 2.076 1.00 53.15 H new ATOM 0 HB3 PHE A 52 3.905 -0.970 3.235 1.00 53.15 H new ATOM 0 HD1 PHE A 52 5.998 0.193 4.477 1.00 62.14 H new ATOM 0 HD2 PHE A 52 2.608 2.277 2.837 1.00 52.21 H new ATOM 0 HE1 PHE A 52 6.461 2.113 5.977 1.00 65.44 H new ATOM 0 HE2 PHE A 52 3.035 4.175 4.388 1.00 44.34 H new ATOM 0 HZ PHE A 52 4.927 4.070 6.001 1.00 73.51 H new ATOM 747 N SER A 53 5.113 -2.718 1.175 1.00 10.10 N ATOM 748 CA SER A 53 4.834 -4.000 0.550 1.00 52.23 C ATOM 749 C SER A 53 4.240 -4.891 1.638 1.00 25.33 C ATOM 750 O SER A 53 4.626 -4.785 2.806 1.00 1.45 O ATOM 751 CB SER A 53 6.160 -4.574 0.015 1.00 53.05 C ATOM 752 OG SER A 53 6.153 -4.810 -1.370 1.00 54.32 O ATOM 0 H SER A 53 5.597 -2.837 2.065 1.00 10.10 H new ATOM 0 HA SER A 53 4.138 -3.922 -0.285 1.00 52.23 H new ATOM 0 HB2 SER A 53 6.968 -3.882 0.253 1.00 53.05 H new ATOM 0 HB3 SER A 53 6.377 -5.508 0.533 1.00 53.05 H new ATOM 0 HG SER A 53 7.075 -4.839 -1.701 1.00 54.32 H new ATOM 757 N GLU A 54 3.281 -5.737 1.277 1.00 45.11 N ATOM 758 CA GLU A 54 2.783 -6.738 2.191 1.00 74.10 C ATOM 759 C GLU A 54 3.845 -7.825 2.358 1.00 4.51 C ATOM 760 O GLU A 54 4.701 -8.051 1.493 1.00 71.24 O ATOM 761 CB GLU A 54 1.426 -7.272 1.733 1.00 30.42 C ATOM 762 CG GLU A 54 1.434 -8.154 0.488 1.00 74.02 C ATOM 763 CD GLU A 54 1.338 -9.645 0.824 1.00 72.42 C ATOM 764 OE1 GLU A 54 0.396 -10.062 1.543 1.00 74.30 O ATOM 765 OE2 GLU A 54 2.172 -10.438 0.340 1.00 72.41 O ATOM 0 H GLU A 54 2.839 -5.743 0.358 1.00 45.11 H new ATOM 0 HA GLU A 54 2.602 -6.300 3.173 1.00 74.10 H new ATOM 0 HB2 GLU A 54 0.987 -7.841 2.553 1.00 30.42 H new ATOM 0 HB3 GLU A 54 0.769 -6.423 1.547 1.00 30.42 H new ATOM 0 HG2 GLU A 54 0.600 -7.876 -0.156 1.00 74.02 H new ATOM 0 HG3 GLU A 54 2.348 -7.970 -0.077 1.00 74.02 H new ATOM 770 N ALA A 55 3.795 -8.502 3.495 1.00 23.21 N ATOM 771 CA ALA A 55 4.681 -9.594 3.850 1.00 41.23 C ATOM 772 C ALA A 55 3.962 -10.477 4.855 1.00 3.44 C ATOM 773 O ALA A 55 2.943 -10.071 5.419 1.00 24.04 O ATOM 774 CB ALA A 55 5.974 -9.042 4.456 1.00 74.12 C ATOM 0 H ALA A 55 3.109 -8.296 4.222 1.00 23.21 H new ATOM 0 HA ALA A 55 4.942 -10.174 2.965 1.00 41.23 H new ATOM 0 HB1 ALA A 55 6.634 -9.868 4.720 1.00 74.12 H new ATOM 0 HB2 ALA A 55 6.471 -8.399 3.730 1.00 74.12 H new ATOM 0 HB3 ALA A 55 5.739 -8.465 5.351 1.00 74.12 H new ATOM 780 N THR A 56 4.531 -11.645 5.130 1.00 42.34 N ATOM 781 CA THR A 56 4.014 -12.602 6.091 1.00 2.23 C ATOM 782 C THR A 56 5.164 -13.230 6.887 1.00 12.24 C ATOM 783 O THR A 56 6.309 -13.349 6.412 1.00 72.14 O ATOM 784 CB THR A 56 3.201 -13.685 5.356 1.00 30.42 C ATOM 785 OG1 THR A 56 3.740 -13.973 4.072 1.00 14.43 O ATOM 786 CG2 THR A 56 1.744 -13.253 5.173 1.00 23.13 C ATOM 0 H THR A 56 5.389 -11.958 4.676 1.00 42.34 H new ATOM 0 HA THR A 56 3.358 -12.088 6.794 1.00 2.23 H new ATOM 0 HB THR A 56 3.253 -14.578 5.979 1.00 30.42 H new ATOM 0 HG1 THR A 56 3.199 -14.665 3.638 1.00 14.43 H new ATOM 0 HG21 THR A 56 1.195 -14.037 4.651 1.00 23.13 H new ATOM 0 HG22 THR A 56 1.290 -13.080 6.149 1.00 23.13 H new ATOM 0 HG23 THR A 56 1.708 -12.334 4.588 1.00 23.13 H new ATOM 794 N ARG A 57 4.808 -13.666 8.093 1.00 50.22 N ATOM 795 CA ARG A 57 5.671 -14.280 9.099 1.00 51.50 C ATOM 796 C ARG A 57 4.941 -15.423 9.755 1.00 4.14 C ATOM 797 O ARG A 57 3.721 -15.363 9.832 1.00 64.33 O ATOM 798 CB ARG A 57 6.075 -13.283 10.198 1.00 13.51 C ATOM 799 CG ARG A 57 5.141 -12.111 10.425 1.00 32.45 C ATOM 800 CD ARG A 57 5.500 -11.283 11.655 1.00 22.15 C ATOM 801 NE ARG A 57 4.774 -9.990 11.641 1.00 5.32 N ATOM 802 CZ ARG A 57 5.324 -8.759 11.649 1.00 73.40 C ATOM 803 NH1 ARG A 57 6.627 -8.541 11.460 1.00 32.05 N ATOM 804 NH2 ARG A 57 4.535 -7.712 11.869 1.00 64.42 N ATOM 0 H ARG A 57 3.843 -13.595 8.415 1.00 50.22 H new ATOM 0 HA ARG A 57 6.571 -14.623 8.588 1.00 51.50 H new ATOM 0 HB2 ARG A 57 6.171 -13.830 11.136 1.00 13.51 H new ATOM 0 HB3 ARG A 57 7.063 -12.890 9.956 1.00 13.51 H new ATOM 0 HG2 ARG A 57 5.156 -11.468 9.545 1.00 32.45 H new ATOM 0 HG3 ARG A 57 4.122 -12.483 10.531 1.00 32.45 H new ATOM 0 HD2 ARG A 57 5.250 -11.837 12.560 1.00 22.15 H new ATOM 0 HD3 ARG A 57 6.575 -11.103 11.678 1.00 22.15 H new ATOM 0 HE ARG A 57 3.755 -10.037 11.624 1.00 5.32 H new ATOM 0 HH11 ARG A 57 7.258 -9.327 11.300 1.00 32.05 H new ATOM 0 HH12 ARG A 57 6.992 -7.589 11.476 1.00 32.05 H new ATOM 0 HH21 ARG A 57 3.537 -7.850 12.027 1.00 64.42 H new ATOM 0 HH22 ARG A 57 4.928 -6.771 11.880 1.00 64.42 H new ATOM 815 N GLY A 58 5.663 -16.390 10.328 1.00 50.13 N ATOM 816 CA GLY A 58 5.215 -17.331 11.339 1.00 70.01 C ATOM 817 C GLY A 58 3.853 -17.919 10.995 1.00 5.42 C ATOM 818 O GLY A 58 3.768 -18.906 10.290 1.00 1.11 O ATOM 0 H GLY A 58 6.640 -16.540 10.076 1.00 50.13 H new ATOM 0 HA2 GLY A 58 5.945 -18.135 11.437 1.00 70.01 H new ATOM 0 HA3 GLY A 58 5.162 -16.829 12.305 1.00 70.01 H new ATOM 822 N ASP A 59 2.792 -17.294 11.502 1.00 45.21 N ATOM 823 CA ASP A 59 1.406 -17.774 11.373 1.00 14.55 C ATOM 824 C ASP A 59 0.785 -17.478 10.001 1.00 34.15 C ATOM 825 O ASP A 59 -0.399 -17.728 9.766 1.00 50.44 O ATOM 826 CB ASP A 59 0.502 -17.223 12.483 1.00 12.14 C ATOM 827 CG ASP A 59 -0.749 -18.092 12.659 1.00 14.21 C ATOM 828 OD1 ASP A 59 -0.569 -19.309 12.889 1.00 54.21 O ATOM 829 OD2 ASP A 59 -1.899 -17.578 12.593 1.00 11.53 O ATOM 0 H ASP A 59 2.867 -16.422 12.025 1.00 45.21 H new ATOM 0 HA ASP A 59 1.471 -18.857 11.475 1.00 14.55 H new ATOM 0 HB2 ASP A 59 1.056 -17.183 13.421 1.00 12.14 H new ATOM 0 HB3 ASP A 59 0.208 -16.201 12.243 1.00 12.14 H new ATOM 833 N GLY A 60 1.552 -16.904 9.078 1.00 53.44 N ATOM 834 CA GLY A 60 1.019 -16.109 7.989 1.00 22.33 C ATOM 835 C GLY A 60 0.590 -14.752 8.553 1.00 30.25 C ATOM 836 O GLY A 60 -0.351 -14.183 8.021 1.00 1.11 O ATOM 0 H GLY A 60 2.569 -16.982 9.070 1.00 53.44 H new ATOM 0 HA2 GLY A 60 1.771 -15.977 7.211 1.00 22.33 H new ATOM 0 HA3 GLY A 60 0.170 -16.615 7.529 1.00 22.33 H new ATOM 840 N GLU A 61 1.228 -14.217 9.604 1.00 43.43 N ATOM 841 CA GLU A 61 0.877 -12.955 10.225 1.00 42.54 C ATOM 842 C GLU A 61 1.225 -11.871 9.213 1.00 52.30 C ATOM 843 O GLU A 61 2.404 -11.673 8.901 1.00 53.31 O ATOM 844 CB GLU A 61 1.619 -12.756 11.567 1.00 11.33 C ATOM 845 CG GLU A 61 0.719 -12.178 12.657 1.00 43.20 C ATOM 846 CD GLU A 61 -0.036 -13.283 13.403 1.00 3.54 C ATOM 847 OE1 GLU A 61 -1.144 -13.653 12.933 1.00 63.22 O ATOM 848 OE2 GLU A 61 0.453 -13.755 14.455 1.00 3.13 O ATOM 0 H GLU A 61 2.024 -14.673 10.050 1.00 43.43 H new ATOM 0 HA GLU A 61 -0.183 -12.921 10.476 1.00 42.54 H new ATOM 0 HB2 GLU A 61 2.019 -13.713 11.902 1.00 11.33 H new ATOM 0 HB3 GLU A 61 2.469 -12.091 11.413 1.00 11.33 H new ATOM 0 HG2 GLU A 61 1.321 -11.606 13.363 1.00 43.20 H new ATOM 0 HG3 GLU A 61 0.006 -11.484 12.212 1.00 43.20 H new ATOM 853 N ARG A 62 0.208 -11.241 8.626 1.00 3.14 N ATOM 854 CA ARG A 62 0.419 -10.224 7.605 1.00 52.44 C ATOM 855 C ARG A 62 0.900 -8.921 8.253 1.00 50.51 C ATOM 856 O ARG A 62 0.584 -8.639 9.413 1.00 44.12 O ATOM 857 CB ARG A 62 -0.883 -10.070 6.815 1.00 64.40 C ATOM 858 CG ARG A 62 -0.775 -9.065 5.668 1.00 5.32 C ATOM 859 CD ARG A 62 -1.961 -9.210 4.710 1.00 21.21 C ATOM 860 NE ARG A 62 -1.629 -10.009 3.517 1.00 2.52 N ATOM 861 CZ ARG A 62 -2.373 -10.947 2.924 1.00 32.31 C ATOM 862 NH1 ARG A 62 -3.426 -11.472 3.528 1.00 12.54 N ATOM 863 NH2 ARG A 62 -2.065 -11.348 1.702 1.00 34.42 N ATOM 0 H ARG A 62 -0.772 -11.420 8.843 1.00 3.14 H new ATOM 0 HA ARG A 62 1.203 -10.514 6.906 1.00 52.44 H new ATOM 0 HB2 ARG A 62 -1.174 -11.041 6.413 1.00 64.40 H new ATOM 0 HB3 ARG A 62 -1.677 -9.755 7.492 1.00 64.40 H new ATOM 0 HG2 ARG A 62 -0.745 -8.051 6.067 1.00 5.32 H new ATOM 0 HG3 ARG A 62 0.158 -9.222 5.127 1.00 5.32 H new ATOM 0 HD2 ARG A 62 -2.794 -9.677 5.236 1.00 21.21 H new ATOM 0 HD3 ARG A 62 -2.296 -8.220 4.399 1.00 21.21 H new ATOM 0 HE ARG A 62 -0.720 -9.823 3.092 1.00 2.52 H new ATOM 0 HH11 ARG A 62 -3.684 -11.162 4.465 1.00 12.54 H new ATOM 0 HH12 ARG A 62 -3.980 -12.187 3.057 1.00 12.54 H new ATOM 0 HH21 ARG A 62 -1.264 -10.942 1.219 1.00 34.42 H new ATOM 0 HH22 ARG A 62 -2.628 -12.064 1.243 1.00 34.42 H new ATOM 874 N PHE A 63 1.664 -8.114 7.516 1.00 64.11 N ATOM 875 CA PHE A 63 2.101 -6.776 7.914 1.00 50.21 C ATOM 876 C PHE A 63 2.335 -5.934 6.659 1.00 65.22 C ATOM 877 O PHE A 63 2.101 -6.392 5.532 1.00 25.23 O ATOM 878 CB PHE A 63 3.342 -6.818 8.846 1.00 50.51 C ATOM 879 CG PHE A 63 4.615 -7.518 8.369 1.00 4.55 C ATOM 880 CD1 PHE A 63 4.608 -8.919 8.193 1.00 54.52 C ATOM 881 CD2 PHE A 63 5.841 -6.815 8.230 1.00 65.01 C ATOM 882 CE1 PHE A 63 5.781 -9.591 7.810 1.00 45.11 C ATOM 883 CE2 PHE A 63 7.027 -7.516 7.946 1.00 43.44 C ATOM 884 CZ PHE A 63 6.992 -8.895 7.712 1.00 62.00 C ATOM 0 H PHE A 63 2.007 -8.383 6.594 1.00 64.11 H new ATOM 0 HA PHE A 63 1.316 -6.306 8.506 1.00 50.21 H new ATOM 0 HB2 PHE A 63 3.605 -5.788 9.087 1.00 50.51 H new ATOM 0 HB3 PHE A 63 3.036 -7.295 9.777 1.00 50.51 H new ATOM 0 HD1 PHE A 63 3.697 -9.476 8.353 1.00 54.52 H new ATOM 0 HD2 PHE A 63 5.863 -5.741 8.342 1.00 65.01 H new ATOM 0 HE1 PHE A 63 5.748 -10.648 7.590 1.00 45.11 H new ATOM 0 HE2 PHE A 63 7.968 -6.988 7.908 1.00 43.44 H new ATOM 0 HZ PHE A 63 7.899 -9.423 7.456 1.00 62.00 H new ATOM 893 N TRP A 64 2.796 -4.701 6.862 1.00 72.44 N ATOM 894 CA TRP A 64 3.239 -3.788 5.823 1.00 41.23 C ATOM 895 C TRP A 64 4.674 -3.404 6.143 1.00 44.51 C ATOM 896 O TRP A 64 4.934 -2.611 7.054 1.00 63.40 O ATOM 897 CB TRP A 64 2.318 -2.573 5.746 1.00 64.41 C ATOM 898 CG TRP A 64 0.927 -2.891 5.340 1.00 43.52 C ATOM 899 CD1 TRP A 64 -0.097 -3.068 6.198 1.00 72.12 C ATOM 900 CD2 TRP A 64 0.412 -3.213 4.014 1.00 53.52 C ATOM 901 NE1 TRP A 64 -1.228 -3.434 5.503 1.00 34.34 N ATOM 902 CE2 TRP A 64 -0.974 -3.519 4.151 1.00 13.11 C ATOM 903 CE3 TRP A 64 0.985 -3.315 2.734 1.00 53.00 C ATOM 904 CZ2 TRP A 64 -1.749 -3.931 3.047 1.00 61.44 C ATOM 905 CZ3 TRP A 64 0.212 -3.734 1.630 1.00 24.33 C ATOM 906 CH2 TRP A 64 -1.157 -4.032 1.778 1.00 63.24 C ATOM 0 H TRP A 64 2.872 -4.299 7.796 1.00 72.44 H new ATOM 0 HA TRP A 64 3.199 -4.259 4.841 1.00 41.23 H new ATOM 0 HB2 TRP A 64 2.298 -2.084 6.720 1.00 64.41 H new ATOM 0 HB3 TRP A 64 2.737 -1.857 5.038 1.00 64.41 H new ATOM 0 HD1 TRP A 64 -0.039 -2.942 7.269 1.00 72.12 H new ATOM 0 HE1 TRP A 64 -2.135 -3.618 5.932 1.00 34.34 H new ATOM 0 HE3 TRP A 64 2.028 -3.070 2.594 1.00 53.00 H new ATOM 0 HZ2 TRP A 64 -2.795 -4.168 3.177 1.00 61.44 H new ATOM 0 HZ3 TRP A 64 0.676 -3.827 0.659 1.00 24.33 H new ATOM 0 HH2 TRP A 64 -1.745 -4.335 0.924 1.00 63.24 H new ATOM 916 N MET A 65 5.606 -4.031 5.445 1.00 70.20 N ATOM 917 CA MET A 65 7.019 -3.698 5.505 1.00 31.03 C ATOM 918 C MET A 65 7.378 -2.694 4.416 1.00 61.42 C ATOM 919 O MET A 65 6.554 -2.435 3.540 1.00 50.25 O ATOM 920 CB MET A 65 7.833 -4.981 5.438 1.00 62.42 C ATOM 921 CG MET A 65 7.796 -5.738 4.107 1.00 63.31 C ATOM 922 SD MET A 65 9.371 -6.450 3.534 1.00 71.41 S ATOM 923 CE MET A 65 10.112 -7.069 5.079 1.00 24.21 C ATOM 0 H MET A 65 5.397 -4.800 4.809 1.00 70.20 H new ATOM 0 HA MET A 65 7.257 -3.209 6.450 1.00 31.03 H new ATOM 0 HB2 MET A 65 8.871 -4.740 5.666 1.00 62.42 H new ATOM 0 HB3 MET A 65 7.481 -5.651 6.223 1.00 62.42 H new ATOM 0 HG2 MET A 65 7.068 -6.545 4.193 1.00 63.31 H new ATOM 0 HG3 MET A 65 7.429 -5.058 3.338 1.00 63.31 H new ATOM 0 HE1 MET A 65 10.806 -7.878 4.851 1.00 24.21 H new ATOM 0 HE2 MET A 65 10.649 -6.260 5.575 1.00 24.21 H new ATOM 0 HE3 MET A 65 9.326 -7.439 5.737 1.00 24.21 H new ATOM 931 N GLN A 66 8.588 -2.134 4.441 1.00 71.04 N ATOM 932 CA GLN A 66 9.078 -1.254 3.387 1.00 5.41 C ATOM 933 C GLN A 66 10.435 -1.757 2.890 1.00 11.00 C ATOM 934 O GLN A 66 11.476 -1.323 3.378 1.00 14.21 O ATOM 935 CB GLN A 66 9.037 0.236 3.757 1.00 31.30 C ATOM 936 CG GLN A 66 9.665 0.604 5.096 1.00 21.44 C ATOM 937 CD GLN A 66 9.922 2.103 5.212 1.00 23.13 C ATOM 938 OE1 GLN A 66 10.652 2.697 4.423 1.00 65.11 O ATOM 939 NE2 GLN A 66 9.277 2.767 6.159 1.00 71.45 N ATOM 0 H GLN A 66 9.256 -2.281 5.197 1.00 71.04 H new ATOM 0 HA GLN A 66 8.388 -1.304 2.545 1.00 5.41 H new ATOM 0 HB2 GLN A 66 9.542 0.800 2.973 1.00 31.30 H new ATOM 0 HB3 GLN A 66 7.997 0.561 3.763 1.00 31.30 H new ATOM 0 HG2 GLN A 66 9.008 0.285 5.905 1.00 21.44 H new ATOM 0 HG3 GLN A 66 10.604 0.064 5.217 1.00 21.44 H new ATOM 0 HE21 GLN A 66 8.672 2.267 6.811 1.00 71.45 H new ATOM 0 HE22 GLN A 66 9.385 3.778 6.237 1.00 71.45 H new ATOM 946 N PRO A 67 10.460 -2.700 1.933 1.00 22.22 N ATOM 947 CA PRO A 67 11.707 -3.229 1.400 1.00 45.02 C ATOM 948 C PRO A 67 12.445 -2.175 0.572 1.00 33.34 C ATOM 949 O PRO A 67 13.629 -2.345 0.289 1.00 71.34 O ATOM 950 CB PRO A 67 11.296 -4.429 0.546 1.00 61.14 C ATOM 951 CG PRO A 67 9.909 -4.027 0.052 1.00 73.33 C ATOM 952 CD PRO A 67 9.320 -3.277 1.241 1.00 41.02 C ATOM 0 HA PRO A 67 12.400 -3.517 2.190 1.00 45.02 H new ATOM 0 HB2 PRO A 67 11.988 -4.595 -0.280 1.00 61.14 H new ATOM 0 HB3 PRO A 67 11.268 -5.350 1.128 1.00 61.14 H new ATOM 0 HG2 PRO A 67 9.965 -3.396 -0.835 1.00 73.33 H new ATOM 0 HG3 PRO A 67 9.308 -4.897 -0.213 1.00 73.33 H new ATOM 0 HD2 PRO A 67 8.626 -2.503 0.913 1.00 41.02 H new ATOM 0 HD3 PRO A 67 8.763 -3.949 1.893 1.00 41.02 H new ATOM 957 N VAL A 68 11.777 -1.097 0.146 1.00 65.23 N ATOM 958 CA VAL A 68 12.456 0.056 -0.432 1.00 14.31 C ATOM 959 C VAL A 68 13.168 0.821 0.676 1.00 32.51 C ATOM 960 O VAL A 68 12.621 1.727 1.303 1.00 33.54 O ATOM 961 CB VAL A 68 11.510 0.923 -1.290 1.00 43.25 C ATOM 962 CG1 VAL A 68 12.311 2.019 -2.012 1.00 72.13 C ATOM 963 CG2 VAL A 68 10.782 0.082 -2.349 1.00 22.24 C ATOM 0 H VAL A 68 10.762 -1.004 0.193 1.00 65.23 H new ATOM 0 HA VAL A 68 13.215 -0.283 -1.137 1.00 14.31 H new ATOM 0 HB VAL A 68 10.775 1.365 -0.618 1.00 43.25 H new ATOM 0 HG11 VAL A 68 11.636 2.626 -2.615 1.00 72.13 H new ATOM 0 HG12 VAL A 68 12.808 2.651 -1.276 1.00 72.13 H new ATOM 0 HG13 VAL A 68 13.058 1.558 -2.658 1.00 72.13 H new ATOM 0 HG21 VAL A 68 10.124 0.724 -2.935 1.00 22.24 H new ATOM 0 HG22 VAL A 68 11.513 -0.386 -3.008 1.00 22.24 H new ATOM 0 HG23 VAL A 68 10.191 -0.690 -1.857 1.00 22.24 H new ATOM 973 N ARG A 69 14.435 0.447 0.848 1.00 43.45 N ATOM 974 CA ARG A 69 15.451 1.101 1.657 1.00 24.23 C ATOM 975 C ARG A 69 15.903 2.452 1.087 1.00 10.20 C ATOM 976 O ARG A 69 17.098 2.765 1.058 1.00 10.12 O ATOM 977 CB ARG A 69 16.615 0.124 1.860 1.00 12.00 C ATOM 978 CG ARG A 69 17.341 -0.378 0.593 1.00 2.33 C ATOM 979 CD ARG A 69 16.924 -1.794 0.188 1.00 1.40 C ATOM 980 NE ARG A 69 17.202 -2.748 1.276 1.00 63.54 N ATOM 981 CZ ARG A 69 16.506 -3.830 1.641 1.00 70.24 C ATOM 982 NH1 ARG A 69 15.452 -4.268 0.971 1.00 11.10 N ATOM 983 NH2 ARG A 69 16.866 -4.475 2.731 1.00 51.14 N ATOM 0 H ARG A 69 14.802 -0.386 0.388 1.00 43.45 H new ATOM 0 HA ARG A 69 15.019 1.352 2.625 1.00 24.23 H new ATOM 0 HB2 ARG A 69 17.352 0.605 2.504 1.00 12.00 H new ATOM 0 HB3 ARG A 69 16.238 -0.744 2.400 1.00 12.00 H new ATOM 0 HG2 ARG A 69 17.136 0.305 -0.231 1.00 2.33 H new ATOM 0 HG3 ARG A 69 18.417 -0.357 0.765 1.00 2.33 H new ATOM 0 HD2 ARG A 69 15.861 -1.811 -0.055 1.00 1.40 H new ATOM 0 HD3 ARG A 69 17.461 -2.094 -0.712 1.00 1.40 H new ATOM 0 HE ARG A 69 18.040 -2.557 1.826 1.00 63.54 H new ATOM 0 HH11 ARG A 69 15.138 -3.775 0.135 1.00 11.10 H new ATOM 0 HH12 ARG A 69 14.954 -5.099 1.290 1.00 11.10 H new ATOM 0 HH21 ARG A 69 17.662 -4.147 3.278 1.00 51.14 H new ATOM 0 HH22 ARG A 69 16.349 -5.303 3.028 1.00 51.14 H new ATOM 994 N SER A 70 14.954 3.229 0.588 1.00 21.24 N ATOM 995 CA SER A 70 15.146 4.547 0.028 1.00 21.24 C ATOM 996 C SER A 70 13.863 5.355 0.180 1.00 41.13 C ATOM 997 O SER A 70 12.786 4.824 0.466 1.00 45.43 O ATOM 998 CB SER A 70 15.542 4.421 -1.447 1.00 43.31 C ATOM 999 OG SER A 70 16.926 4.624 -1.628 1.00 64.43 O ATOM 0 H SER A 70 13.977 2.936 0.564 1.00 21.24 H new ATOM 0 HA SER A 70 15.945 5.065 0.558 1.00 21.24 H new ATOM 0 HB2 SER A 70 15.266 3.433 -1.816 1.00 43.31 H new ATOM 0 HB3 SER A 70 14.986 5.149 -2.038 1.00 43.31 H new ATOM 0 HG SER A 70 17.182 4.347 -2.533 1.00 64.43 H new ATOM 1004 N THR A 71 14.012 6.653 -0.047 1.00 52.11 N ATOM 1005 CA THR A 71 13.019 7.705 0.156 1.00 61.43 C ATOM 1006 C THR A 71 12.994 8.645 -1.067 1.00 11.24 C ATOM 1007 O THR A 71 12.274 9.649 -1.080 1.00 2.10 O ATOM 1008 CB THR A 71 13.379 8.437 1.467 1.00 13.11 C ATOM 1009 OG1 THR A 71 14.753 8.791 1.457 1.00 42.44 O ATOM 1010 CG2 THR A 71 13.166 7.549 2.695 1.00 72.13 C ATOM 0 H THR A 71 14.891 7.027 -0.403 1.00 52.11 H new ATOM 0 HA THR A 71 12.012 7.297 0.249 1.00 61.43 H new ATOM 0 HB THR A 71 12.731 9.312 1.525 1.00 13.11 H new ATOM 0 HG1 THR A 71 14.977 9.257 2.290 1.00 42.44 H new ATOM 0 HG21 THR A 71 13.431 8.103 3.595 1.00 72.13 H new ATOM 0 HG22 THR A 71 12.120 7.248 2.749 1.00 72.13 H new ATOM 0 HG23 THR A 71 13.795 6.662 2.616 1.00 72.13 H new ATOM 1018 N PHE A 72 13.792 8.335 -2.100 1.00 13.20 N ATOM 1019 CA PHE A 72 13.887 9.080 -3.346 1.00 63.12 C ATOM 1020 C PHE A 72 12.724 8.679 -4.248 1.00 30.44 C ATOM 1021 O PHE A 72 12.485 7.485 -4.426 1.00 44.02 O ATOM 1022 CB PHE A 72 15.226 8.746 -4.045 1.00 1.44 C ATOM 1023 CG PHE A 72 16.174 9.884 -4.387 1.00 41.45 C ATOM 1024 CD1 PHE A 72 15.762 11.232 -4.458 1.00 13.32 C ATOM 1025 CD2 PHE A 72 17.517 9.564 -4.667 1.00 74.15 C ATOM 1026 CE1 PHE A 72 16.697 12.241 -4.741 1.00 74.52 C ATOM 1027 CE2 PHE A 72 18.449 10.577 -4.960 1.00 70.11 C ATOM 1028 CZ PHE A 72 18.045 11.922 -4.975 1.00 42.23 C ATOM 0 H PHE A 72 14.410 7.524 -2.080 1.00 13.20 H new ATOM 0 HA PHE A 72 13.846 10.150 -3.144 1.00 63.12 H new ATOM 0 HB2 PHE A 72 15.766 8.046 -3.408 1.00 1.44 H new ATOM 0 HB3 PHE A 72 14.993 8.220 -4.971 1.00 1.44 H new ATOM 0 HD1 PHE A 72 14.726 11.488 -4.294 1.00 13.32 H new ATOM 0 HD2 PHE A 72 17.834 8.532 -4.657 1.00 74.15 H new ATOM 0 HE1 PHE A 72 16.377 13.272 -4.779 1.00 74.52 H new ATOM 0 HE2 PHE A 72 19.476 10.320 -5.174 1.00 70.11 H new ATOM 0 HZ PHE A 72 18.765 12.705 -5.165 1.00 42.23 H new ATOM 1037 N GLU A 73 12.053 9.648 -4.877 1.00 21.34 N ATOM 1038 CA GLU A 73 10.938 9.384 -5.791 1.00 72.34 C ATOM 1039 C GLU A 73 11.234 8.304 -6.844 1.00 24.43 C ATOM 1040 O GLU A 73 10.405 7.407 -6.987 1.00 50.14 O ATOM 1041 CB GLU A 73 10.431 10.662 -6.476 1.00 70.12 C ATOM 1042 CG GLU A 73 10.293 11.845 -5.517 1.00 31.52 C ATOM 1043 CD GLU A 73 9.570 13.047 -6.125 1.00 23.54 C ATOM 1044 OE1 GLU A 73 9.684 13.240 -7.365 1.00 42.25 O ATOM 1045 OE2 GLU A 73 8.932 13.794 -5.360 1.00 13.04 O ATOM 0 H GLU A 73 12.268 10.639 -4.767 1.00 21.34 H new ATOM 0 HA GLU A 73 10.149 8.992 -5.149 1.00 72.34 H new ATOM 0 HB2 GLU A 73 11.116 10.932 -7.280 1.00 70.12 H new ATOM 0 HB3 GLU A 73 9.464 10.461 -6.936 1.00 70.12 H new ATOM 0 HG2 GLU A 73 9.754 11.519 -4.628 1.00 31.52 H new ATOM 0 HG3 GLU A 73 11.286 12.156 -5.192 1.00 31.52 H new ATOM 1050 N PRO A 74 12.361 8.328 -7.592 1.00 43.14 N ATOM 1051 CA PRO A 74 12.605 7.321 -8.623 1.00 65.55 C ATOM 1052 C PRO A 74 12.897 5.921 -8.062 1.00 32.40 C ATOM 1053 O PRO A 74 12.582 4.936 -8.729 1.00 50.05 O ATOM 1054 CB PRO A 74 13.786 7.841 -9.446 1.00 65.21 C ATOM 1055 CG PRO A 74 14.545 8.730 -8.468 1.00 43.45 C ATOM 1056 CD PRO A 74 13.424 9.331 -7.622 1.00 11.24 C ATOM 0 HA PRO A 74 11.706 7.188 -9.225 1.00 65.55 H new ATOM 0 HB2 PRO A 74 14.409 7.025 -9.812 1.00 65.21 H new ATOM 0 HB3 PRO A 74 13.450 8.401 -10.319 1.00 65.21 H new ATOM 0 HG2 PRO A 74 15.248 8.158 -7.862 1.00 43.45 H new ATOM 0 HG3 PRO A 74 15.121 9.499 -8.983 1.00 43.45 H new ATOM 0 HD2 PRO A 74 13.774 9.559 -6.615 1.00 11.24 H new ATOM 0 HD3 PRO A 74 13.067 10.266 -8.054 1.00 11.24 H new ATOM 1061 N ASP A 75 13.472 5.813 -6.860 1.00 23.34 N ATOM 1062 CA ASP A 75 13.753 4.529 -6.212 1.00 65.14 C ATOM 1063 C ASP A 75 12.428 3.869 -5.876 1.00 44.11 C ATOM 1064 O ASP A 75 12.232 2.671 -6.094 1.00 65.44 O ATOM 1065 CB ASP A 75 14.522 4.708 -4.891 1.00 62.14 C ATOM 1066 CG ASP A 75 16.019 4.914 -5.052 1.00 11.34 C ATOM 1067 OD1 ASP A 75 16.418 5.708 -5.930 1.00 74.13 O ATOM 1068 OD2 ASP A 75 16.797 4.347 -4.253 1.00 42.22 O ATOM 0 H ASP A 75 13.757 6.620 -6.306 1.00 23.34 H new ATOM 0 HA ASP A 75 14.358 3.932 -6.895 1.00 65.14 H new ATOM 0 HB2 ASP A 75 14.106 5.563 -4.357 1.00 62.14 H new ATOM 0 HB3 ASP A 75 14.355 3.830 -4.267 1.00 62.14 H new ATOM 1072 N LEU A 76 11.540 4.680 -5.301 1.00 70.55 N ATOM 1073 CA LEU A 76 10.220 4.299 -4.863 1.00 51.42 C ATOM 1074 C LEU A 76 9.425 3.900 -6.100 1.00 73.31 C ATOM 1075 O LEU A 76 9.049 2.744 -6.243 1.00 71.35 O ATOM 1076 CB LEU A 76 9.572 5.470 -4.099 1.00 53.42 C ATOM 1077 CG LEU A 76 10.302 5.855 -2.794 1.00 33.44 C ATOM 1078 CD1 LEU A 76 9.880 7.261 -2.387 1.00 34.53 C ATOM 1079 CD2 LEU A 76 9.970 4.939 -1.619 1.00 62.54 C ATOM 0 H LEU A 76 11.742 5.664 -5.125 1.00 70.55 H new ATOM 0 HA LEU A 76 10.250 3.454 -4.176 1.00 51.42 H new ATOM 0 HB2 LEU A 76 9.537 6.341 -4.753 1.00 53.42 H new ATOM 0 HB3 LEU A 76 8.541 5.208 -3.862 1.00 53.42 H new ATOM 0 HG LEU A 76 11.368 5.774 -3.005 1.00 33.44 H new ATOM 0 HD11 LEU A 76 10.391 7.542 -1.466 1.00 34.53 H new ATOM 0 HD12 LEU A 76 10.145 7.963 -3.177 1.00 34.53 H new ATOM 0 HD13 LEU A 76 8.802 7.285 -2.226 1.00 34.53 H new ATOM 0 HD21 LEU A 76 10.517 5.268 -0.736 1.00 62.54 H new ATOM 0 HD22 LEU A 76 8.899 4.979 -1.418 1.00 62.54 H new ATOM 0 HD23 LEU A 76 10.256 3.916 -1.863 1.00 62.54 H new ATOM 1090 N ASP A 77 9.179 4.834 -7.012 1.00 2.34 N ATOM 1091 CA ASP A 77 8.205 4.640 -8.081 1.00 71.22 C ATOM 1092 C ASP A 77 8.600 3.519 -9.045 1.00 64.11 C ATOM 1093 O ASP A 77 7.755 2.765 -9.538 1.00 41.25 O ATOM 1094 CB ASP A 77 8.009 5.956 -8.823 1.00 5.13 C ATOM 1095 CG ASP A 77 6.734 5.822 -9.650 1.00 0.42 C ATOM 1096 OD1 ASP A 77 5.663 5.868 -9.007 1.00 1.32 O ATOM 1097 OD2 ASP A 77 6.826 5.616 -10.881 1.00 33.43 O ATOM 0 H ASP A 77 9.645 5.741 -7.032 1.00 2.34 H new ATOM 0 HA ASP A 77 7.264 4.328 -7.627 1.00 71.22 H new ATOM 0 HB2 ASP A 77 7.926 6.785 -8.120 1.00 5.13 H new ATOM 0 HB3 ASP A 77 8.864 6.166 -9.465 1.00 5.13 H new ATOM 1101 N ALA A 78 9.906 3.335 -9.263 1.00 62.21 N ATOM 1102 CA ALA A 78 10.417 2.224 -10.060 1.00 44.02 C ATOM 1103 C ALA A 78 10.084 0.876 -9.420 1.00 43.43 C ATOM 1104 O ALA A 78 9.769 -0.062 -10.157 1.00 54.03 O ATOM 1105 CB ALA A 78 11.932 2.334 -10.216 1.00 24.42 C ATOM 0 H ALA A 78 10.631 3.949 -8.893 1.00 62.21 H new ATOM 0 HA ALA A 78 9.936 2.279 -11.037 1.00 44.02 H new ATOM 0 HB1 ALA A 78 12.298 1.498 -10.813 1.00 24.42 H new ATOM 0 HB2 ALA A 78 12.179 3.271 -10.714 1.00 24.42 H new ATOM 0 HB3 ALA A 78 12.402 2.311 -9.233 1.00 24.42 H new ATOM 1111 N TYR A 79 10.108 0.776 -8.080 1.00 5.44 N ATOM 1112 CA TYR A 79 9.728 -0.453 -7.389 1.00 11.34 C ATOM 1113 C TYR A 79 8.318 -0.866 -7.810 1.00 12.00 C ATOM 1114 O TYR A 79 8.076 -2.041 -8.083 1.00 50.14 O ATOM 1115 CB TYR A 79 9.783 -0.282 -5.864 1.00 42.04 C ATOM 1116 CG TYR A 79 9.555 -1.564 -5.096 1.00 33.43 C ATOM 1117 CD1 TYR A 79 8.245 -1.919 -4.742 1.00 41.21 C ATOM 1118 CD2 TYR A 79 10.633 -2.390 -4.726 1.00 52.25 C ATOM 1119 CE1 TYR A 79 8.007 -3.099 -4.025 1.00 43.41 C ATOM 1120 CE2 TYR A 79 10.400 -3.567 -3.986 1.00 33.22 C ATOM 1121 CZ TYR A 79 9.080 -3.923 -3.629 1.00 54.31 C ATOM 1122 OH TYR A 79 8.839 -5.045 -2.901 1.00 74.33 O ATOM 0 H TYR A 79 10.388 1.536 -7.460 1.00 5.44 H new ATOM 0 HA TYR A 79 10.441 -1.230 -7.667 1.00 11.34 H new ATOM 0 HB2 TYR A 79 10.755 0.127 -5.589 1.00 42.04 H new ATOM 0 HB3 TYR A 79 9.033 0.449 -5.563 1.00 42.04 H new ATOM 0 HD1 TYR A 79 7.419 -1.282 -5.022 1.00 41.21 H new ATOM 0 HD2 TYR A 79 11.640 -2.122 -5.009 1.00 52.25 H new ATOM 0 HE1 TYR A 79 6.995 -3.379 -3.774 1.00 43.41 H new ATOM 0 HE2 TYR A 79 11.228 -4.195 -3.693 1.00 33.22 H new ATOM 0 HH TYR A 79 9.686 -5.500 -2.712 1.00 74.33 H new ATOM 1131 N ALA A 80 7.388 0.093 -7.868 1.00 5.22 N ATOM 1132 CA ALA A 80 6.008 -0.196 -8.218 1.00 42.05 C ATOM 1133 C ALA A 80 5.858 -0.709 -9.651 1.00 53.01 C ATOM 1134 O ALA A 80 4.902 -1.437 -9.922 1.00 41.13 O ATOM 1135 CB ALA A 80 5.138 1.040 -7.995 1.00 54.01 C ATOM 0 H ALA A 80 7.575 1.077 -7.675 1.00 5.22 H new ATOM 0 HA ALA A 80 5.671 -0.998 -7.562 1.00 42.05 H new ATOM 0 HB1 ALA A 80 4.106 0.811 -8.261 1.00 54.01 H new ATOM 0 HB2 ALA A 80 5.186 1.334 -6.947 1.00 54.01 H new ATOM 0 HB3 ALA A 80 5.500 1.857 -8.618 1.00 54.01 H new ATOM 1141 N GLU A 81 6.749 -0.339 -10.579 1.00 32.32 N ATOM 1142 CA GLU A 81 6.778 -0.932 -11.903 1.00 12.34 C ATOM 1143 C GLU A 81 7.373 -2.344 -11.776 1.00 53.12 C ATOM 1144 O GLU A 81 6.744 -3.319 -12.195 1.00 4.10 O ATOM 1145 CB GLU A 81 7.518 0.013 -12.879 1.00 53.32 C ATOM 1146 CG GLU A 81 8.048 -0.760 -14.087 1.00 11.24 C ATOM 1147 CD GLU A 81 8.645 0.065 -15.233 1.00 1.22 C ATOM 1148 OE1 GLU A 81 8.436 1.302 -15.338 1.00 63.15 O ATOM 1149 OE2 GLU A 81 9.366 -0.555 -16.051 1.00 61.33 O ATOM 0 H GLU A 81 7.461 0.375 -10.426 1.00 32.32 H new ATOM 0 HA GLU A 81 5.783 -1.051 -12.332 1.00 12.34 H new ATOM 0 HB2 GLU A 81 6.842 0.800 -13.213 1.00 53.32 H new ATOM 0 HB3 GLU A 81 8.345 0.501 -12.363 1.00 53.32 H new ATOM 0 HG2 GLU A 81 8.811 -1.455 -13.736 1.00 11.24 H new ATOM 0 HG3 GLU A 81 7.232 -1.360 -14.490 1.00 11.24 H new ATOM 1154 N ARG A 82 8.560 -2.459 -11.166 1.00 1.10 N ATOM 1155 CA ARG A 82 9.329 -3.697 -11.027 1.00 14.31 C ATOM 1156 C ARG A 82 8.470 -4.826 -10.463 1.00 30.40 C ATOM 1157 O ARG A 82 8.495 -5.926 -11.001 1.00 1.42 O ATOM 1158 CB ARG A 82 10.516 -3.413 -10.089 1.00 54.12 C ATOM 1159 CG ARG A 82 11.653 -4.436 -10.175 1.00 62.23 C ATOM 1160 CD ARG A 82 12.760 -3.994 -11.137 1.00 31.10 C ATOM 1161 NE ARG A 82 14.056 -4.598 -10.782 1.00 5.31 N ATOM 1162 CZ ARG A 82 14.684 -5.619 -11.380 1.00 54.45 C ATOM 1163 NH1 ARG A 82 14.250 -6.147 -12.521 1.00 71.24 N ATOM 1164 NH2 ARG A 82 15.764 -6.141 -10.808 1.00 25.13 N ATOM 0 H ARG A 82 9.027 -1.659 -10.740 1.00 1.10 H new ATOM 0 HA ARG A 82 9.680 -4.019 -12.007 1.00 14.31 H new ATOM 0 HB2 ARG A 82 10.915 -2.425 -10.318 1.00 54.12 H new ATOM 0 HB3 ARG A 82 10.151 -3.379 -9.062 1.00 54.12 H new ATOM 0 HG2 ARG A 82 12.077 -4.589 -9.183 1.00 62.23 H new ATOM 0 HG3 ARG A 82 11.252 -5.395 -10.502 1.00 62.23 H new ATOM 0 HD2 ARG A 82 12.493 -4.276 -12.155 1.00 31.10 H new ATOM 0 HD3 ARG A 82 12.847 -2.908 -11.119 1.00 31.10 H new ATOM 0 HE ARG A 82 14.535 -4.187 -9.981 1.00 5.31 H new ATOM 0 HH11 ARG A 82 13.413 -5.775 -12.969 1.00 71.24 H new ATOM 0 HH12 ARG A 82 14.754 -6.924 -12.948 1.00 71.24 H new ATOM 0 HH21 ARG A 82 16.106 -5.764 -9.924 1.00 25.13 H new ATOM 0 HH22 ARG A 82 16.251 -6.919 -11.253 1.00 25.13 H new ATOM 1175 N ALA A 83 7.752 -4.552 -9.379 1.00 1.13 N ATOM 1176 CA ALA A 83 6.995 -5.532 -8.624 1.00 51.45 C ATOM 1177 C ALA A 83 5.641 -5.846 -9.255 1.00 41.41 C ATOM 1178 O ALA A 83 5.005 -6.811 -8.845 1.00 24.35 O ATOM 1179 CB ALA A 83 6.844 -5.046 -7.180 1.00 21.50 C ATOM 0 H ALA A 83 7.682 -3.610 -8.993 1.00 1.13 H new ATOM 0 HA ALA A 83 7.548 -6.471 -8.635 1.00 51.45 H new ATOM 0 HB1 ALA A 83 6.276 -5.779 -6.607 1.00 21.50 H new ATOM 0 HB2 ALA A 83 7.830 -4.922 -6.733 1.00 21.50 H new ATOM 0 HB3 ALA A 83 6.318 -4.091 -7.171 1.00 21.50 H new ATOM 1185 N ALA A 84 5.165 -5.082 -10.240 1.00 74.14 N ATOM 1186 CA ALA A 84 3.962 -5.383 -11.020 1.00 40.44 C ATOM 1187 C ALA A 84 4.261 -6.015 -12.398 1.00 41.42 C ATOM 1188 O ALA A 84 3.325 -6.378 -13.129 1.00 73.43 O ATOM 1189 CB ALA A 84 3.153 -4.088 -11.154 1.00 75.33 C ATOM 0 H ALA A 84 5.617 -4.213 -10.525 1.00 74.14 H new ATOM 0 HA ALA A 84 3.386 -6.142 -10.491 1.00 40.44 H new ATOM 0 HB1 ALA A 84 2.249 -4.282 -11.732 1.00 75.33 H new ATOM 0 HB2 ALA A 84 2.880 -3.726 -10.163 1.00 75.33 H new ATOM 0 HB3 ALA A 84 3.754 -3.334 -11.663 1.00 75.33 H new ATOM 1195 N ARG A 85 5.546 -6.137 -12.767 1.00 32.52 N ATOM 1196 CA ARG A 85 5.955 -6.560 -14.111 1.00 42.42 C ATOM 1197 C ARG A 85 5.845 -8.060 -14.328 1.00 42.21 C ATOM 1198 O ARG A 85 5.578 -8.472 -15.454 1.00 23.23 O ATOM 1199 CB ARG A 85 7.409 -6.139 -14.371 1.00 41.15 C ATOM 1200 CG ARG A 85 7.463 -4.891 -15.241 1.00 52.44 C ATOM 1201 CD ARG A 85 8.921 -4.564 -15.562 1.00 34.42 C ATOM 1202 NE ARG A 85 9.010 -3.376 -16.416 1.00 2.20 N ATOM 1203 CZ ARG A 85 8.618 -3.274 -17.687 1.00 11.21 C ATOM 1204 NH1 ARG A 85 8.267 -4.343 -18.400 1.00 3.34 N ATOM 1205 NH2 ARG A 85 8.617 -2.063 -18.220 1.00 3.42 N ATOM 0 H ARG A 85 6.328 -5.945 -12.141 1.00 32.52 H new ATOM 0 HA ARG A 85 5.271 -6.072 -14.805 1.00 42.42 H new ATOM 0 HB2 ARG A 85 7.912 -5.949 -13.423 1.00 41.15 H new ATOM 0 HB3 ARG A 85 7.946 -6.952 -14.860 1.00 41.15 H new ATOM 0 HG2 ARG A 85 6.903 -5.051 -16.162 1.00 52.44 H new ATOM 0 HG3 ARG A 85 6.995 -4.053 -14.725 1.00 52.44 H new ATOM 0 HD2 ARG A 85 9.473 -4.395 -14.637 1.00 34.42 H new ATOM 0 HD3 ARG A 85 9.388 -5.413 -16.062 1.00 34.42 H new ATOM 0 HE ARG A 85 9.414 -2.540 -15.994 1.00 2.20 H new ATOM 0 HH11 ARG A 85 8.294 -5.270 -17.976 1.00 3.34 H new ATOM 0 HH12 ARG A 85 7.971 -4.234 -19.370 1.00 3.34 H new ATOM 0 HH21 ARG A 85 8.908 -1.260 -17.662 1.00 3.42 H new ATOM 0 HH22 ARG A 85 8.326 -1.932 -19.189 1.00 3.42 H new ATOM 1216 N ILE A 86 6.106 -8.861 -13.302 1.00 11.20 N ATOM 1217 CA ILE A 86 6.170 -10.312 -13.396 1.00 70.22 C ATOM 1218 C ILE A 86 4.934 -10.892 -12.708 1.00 22.35 C ATOM 1219 O ILE A 86 4.488 -11.982 -13.061 1.00 54.30 O ATOM 1220 CB ILE A 86 7.508 -10.817 -12.802 1.00 30.24 C ATOM 1221 CG1 ILE A 86 8.753 -10.030 -13.289 1.00 52.34 C ATOM 1222 CG2 ILE A 86 7.726 -12.301 -13.130 1.00 43.41 C ATOM 1223 CD1 ILE A 86 9.136 -8.855 -12.384 1.00 14.33 C ATOM 0 H ILE A 86 6.283 -8.510 -12.361 1.00 11.20 H new ATOM 0 HA ILE A 86 6.157 -10.648 -14.433 1.00 70.22 H new ATOM 0 HB ILE A 86 7.413 -10.660 -11.728 1.00 30.24 H new ATOM 0 HG12 ILE A 86 9.599 -10.714 -13.358 1.00 52.34 H new ATOM 0 HG13 ILE A 86 8.563 -9.655 -14.295 1.00 52.34 H new ATOM 0 HG21 ILE A 86 8.672 -12.633 -12.702 1.00 43.41 H new ATOM 0 HG22 ILE A 86 6.911 -12.890 -12.709 1.00 43.41 H new ATOM 0 HG23 ILE A 86 7.750 -12.435 -14.211 1.00 43.41 H new ATOM 0 HD11 ILE A 86 10.015 -8.354 -12.790 1.00 14.33 H new ATOM 0 HD12 ILE A 86 8.307 -8.149 -12.334 1.00 14.33 H new ATOM 0 HD13 ILE A 86 9.359 -9.224 -11.383 1.00 14.33 H new ATOM 1234 N ASP A 87 4.343 -10.161 -11.776 1.00 53.22 N ATOM 1235 CA ASP A 87 3.259 -10.555 -10.899 1.00 43.42 C ATOM 1236 C ASP A 87 2.048 -9.726 -11.304 1.00 53.31 C ATOM 1237 O ASP A 87 1.878 -8.616 -10.789 1.00 24.35 O ATOM 1238 CB ASP A 87 3.637 -10.382 -9.419 1.00 54.33 C ATOM 1239 CG ASP A 87 4.787 -11.308 -9.049 1.00 33.35 C ATOM 1240 OD1 ASP A 87 4.548 -12.535 -8.917 1.00 52.20 O ATOM 1241 OD2 ASP A 87 5.948 -10.832 -9.032 1.00 72.43 O ATOM 0 H ASP A 87 4.635 -9.199 -11.602 1.00 53.22 H new ATOM 0 HA ASP A 87 3.032 -11.616 -11.003 1.00 43.42 H new ATOM 0 HB2 ASP A 87 3.921 -9.347 -9.229 1.00 54.33 H new ATOM 0 HB3 ASP A 87 2.773 -10.596 -8.790 1.00 54.33 H new ATOM 1245 N PRO A 88 1.244 -10.146 -12.290 1.00 73.54 N ATOM 1246 CA PRO A 88 0.065 -9.397 -12.698 1.00 12.05 C ATOM 1247 C PRO A 88 -0.950 -9.286 -11.555 1.00 32.52 C ATOM 1248 O PRO A 88 -1.711 -8.321 -11.508 1.00 21.21 O ATOM 1249 CB PRO A 88 -0.509 -10.165 -13.894 1.00 3.35 C ATOM 1250 CG PRO A 88 -0.093 -11.607 -13.603 1.00 14.05 C ATOM 1251 CD PRO A 88 1.282 -11.435 -12.963 1.00 32.14 C ATOM 0 HA PRO A 88 0.312 -8.370 -12.966 1.00 12.05 H new ATOM 0 HB2 PRO A 88 -1.592 -10.062 -13.959 1.00 3.35 H new ATOM 0 HB3 PRO A 88 -0.098 -9.808 -14.838 1.00 3.35 H new ATOM 0 HG2 PRO A 88 -0.793 -12.103 -12.931 1.00 14.05 H new ATOM 0 HG3 PRO A 88 -0.045 -12.206 -14.512 1.00 14.05 H new ATOM 0 HD2 PRO A 88 1.489 -12.239 -12.257 1.00 32.14 H new ATOM 0 HD3 PRO A 88 2.070 -11.461 -13.715 1.00 32.14 H new ATOM 1256 N ASP A 89 -0.940 -10.243 -10.624 1.00 15.25 N ATOM 1257 CA ASP A 89 -2.014 -10.496 -9.670 1.00 14.13 C ATOM 1258 C ASP A 89 -1.813 -9.685 -8.397 1.00 2.32 C ATOM 1259 O ASP A 89 -2.403 -9.994 -7.360 1.00 22.51 O ATOM 1260 CB ASP A 89 -2.089 -12.000 -9.367 1.00 11.24 C ATOM 1261 CG ASP A 89 -2.411 -12.818 -10.611 1.00 62.34 C ATOM 1262 OD1 ASP A 89 -3.378 -12.435 -11.318 1.00 20.25 O ATOM 1263 OD2 ASP A 89 -1.702 -13.795 -10.899 1.00 34.51 O ATOM 0 H ASP A 89 -0.154 -10.884 -10.513 1.00 15.25 H new ATOM 0 HA ASP A 89 -2.961 -10.180 -10.108 1.00 14.13 H new ATOM 0 HB2 ASP A 89 -1.139 -12.333 -8.950 1.00 11.24 H new ATOM 0 HB3 ASP A 89 -2.851 -12.179 -8.608 1.00 11.24 H new ATOM 1267 N ILE A 90 -0.920 -8.702 -8.427 1.00 52.42 N ATOM 1268 CA ILE A 90 -0.620 -7.800 -7.335 1.00 75.42 C ATOM 1269 C ILE A 90 -1.565 -6.596 -7.385 1.00 72.42 C ATOM 1270 O ILE A 90 -2.094 -6.223 -8.435 1.00 54.32 O ATOM 1271 CB ILE A 90 0.871 -7.415 -7.442 1.00 74.54 C ATOM 1272 CG1 ILE A 90 1.415 -6.857 -6.107 1.00 73.13 C ATOM 1273 CG2 ILE A 90 1.144 -6.460 -8.620 1.00 53.40 C ATOM 1274 CD1 ILE A 90 2.943 -6.715 -6.052 1.00 3.13 C ATOM 0 H ILE A 90 -0.361 -8.508 -9.258 1.00 52.42 H new ATOM 0 HA ILE A 90 -0.781 -8.268 -6.364 1.00 75.42 H new ATOM 0 HB ILE A 90 1.419 -8.333 -7.653 1.00 74.54 H new ATOM 0 HG12 ILE A 90 0.965 -5.881 -5.926 1.00 73.13 H new ATOM 0 HG13 ILE A 90 1.094 -7.511 -5.297 1.00 73.13 H new ATOM 0 HG21 ILE A 90 2.206 -6.218 -8.654 1.00 53.40 H new ATOM 0 HG22 ILE A 90 0.852 -6.941 -9.553 1.00 53.40 H new ATOM 0 HG23 ILE A 90 0.568 -5.544 -8.487 1.00 53.40 H new ATOM 0 HD11 ILE A 90 3.237 -6.317 -5.081 1.00 3.13 H new ATOM 0 HD12 ILE A 90 3.405 -7.691 -6.199 1.00 3.13 H new ATOM 0 HD13 ILE A 90 3.274 -6.036 -6.838 1.00 3.13 H new ATOM 1285 N TRP A 91 -1.723 -5.935 -6.246 1.00 43.42 N ATOM 1286 CA TRP A 91 -2.504 -4.720 -6.110 1.00 61.43 C ATOM 1287 C TRP A 91 -1.546 -3.531 -5.971 1.00 34.15 C ATOM 1288 O TRP A 91 -0.422 -3.680 -5.489 1.00 21.31 O ATOM 1289 CB TRP A 91 -3.445 -4.955 -4.927 1.00 4.31 C ATOM 1290 CG TRP A 91 -4.538 -5.956 -5.171 1.00 51.14 C ATOM 1291 CD1 TRP A 91 -4.406 -7.302 -5.232 1.00 53.31 C ATOM 1292 CD2 TRP A 91 -5.959 -5.708 -5.318 1.00 0.13 C ATOM 1293 NE1 TRP A 91 -5.649 -7.887 -5.344 1.00 75.32 N ATOM 1294 CE2 TRP A 91 -6.647 -6.947 -5.432 1.00 52.13 C ATOM 1295 CE3 TRP A 91 -6.748 -4.555 -5.193 1.00 22.24 C ATOM 1296 CZ2 TRP A 91 -8.043 -7.019 -5.487 1.00 24.25 C ATOM 1297 CZ3 TRP A 91 -8.153 -4.605 -5.254 1.00 63.13 C ATOM 1298 CH2 TRP A 91 -8.801 -5.839 -5.426 1.00 61.23 C ATOM 0 H TRP A 91 -1.299 -6.240 -5.370 1.00 43.42 H new ATOM 0 HA TRP A 91 -3.120 -4.478 -6.976 1.00 61.43 H new ATOM 0 HB2 TRP A 91 -2.854 -5.286 -4.073 1.00 4.31 H new ATOM 0 HB3 TRP A 91 -3.900 -4.004 -4.650 1.00 4.31 H new ATOM 0 HD1 TRP A 91 -3.468 -7.837 -5.198 1.00 53.31 H new ATOM 0 HE1 TRP A 91 -5.808 -8.894 -5.360 1.00 75.32 H new ATOM 0 HE3 TRP A 91 -6.263 -3.601 -5.046 1.00 22.24 H new ATOM 0 HZ2 TRP A 91 -8.535 -7.977 -5.576 1.00 24.25 H new ATOM 0 HZ3 TRP A 91 -8.731 -3.697 -5.169 1.00 63.13 H new ATOM 0 HH2 TRP A 91 -9.877 -5.880 -5.511 1.00 61.23 H new ATOM 1308 N VAL A 92 -1.981 -2.343 -6.391 1.00 22.21 N ATOM 1309 CA VAL A 92 -1.259 -1.082 -6.253 1.00 3.34 C ATOM 1310 C VAL A 92 -2.277 -0.155 -5.610 1.00 54.13 C ATOM 1311 O VAL A 92 -3.375 0.014 -6.148 1.00 60.24 O ATOM 1312 CB VAL A 92 -0.808 -0.528 -7.623 1.00 44.31 C ATOM 1313 CG1 VAL A 92 -0.130 0.840 -7.483 1.00 60.53 C ATOM 1314 CG2 VAL A 92 0.169 -1.417 -8.403 1.00 11.34 C ATOM 0 H VAL A 92 -2.882 -2.230 -6.855 1.00 22.21 H new ATOM 0 HA VAL A 92 -0.345 -1.192 -5.669 1.00 3.34 H new ATOM 0 HB VAL A 92 -1.743 -0.474 -8.181 1.00 44.31 H new ATOM 0 HG11 VAL A 92 0.174 1.198 -8.467 1.00 60.53 H new ATOM 0 HG12 VAL A 92 -0.829 1.549 -7.039 1.00 60.53 H new ATOM 0 HG13 VAL A 92 0.748 0.747 -6.844 1.00 60.53 H new ATOM 0 HG21 VAL A 92 0.422 -0.937 -9.348 1.00 11.34 H new ATOM 0 HG22 VAL A 92 1.076 -1.563 -7.816 1.00 11.34 H new ATOM 0 HG23 VAL A 92 -0.296 -2.383 -8.599 1.00 11.34 H new ATOM 1324 N VAL A 93 -1.932 0.413 -4.465 1.00 55.04 N ATOM 1325 CA VAL A 93 -2.789 1.282 -3.687 1.00 32.13 C ATOM 1326 C VAL A 93 -2.012 2.582 -3.524 1.00 3.13 C ATOM 1327 O VAL A 93 -0.865 2.577 -3.060 1.00 64.53 O ATOM 1328 CB VAL A 93 -3.130 0.579 -2.363 1.00 40.31 C ATOM 1329 CG1 VAL A 93 -3.961 1.486 -1.454 1.00 12.42 C ATOM 1330 CG2 VAL A 93 -3.904 -0.728 -2.602 1.00 64.44 C ATOM 0 H VAL A 93 -1.015 0.274 -4.041 1.00 55.04 H new ATOM 0 HA VAL A 93 -3.748 1.504 -4.156 1.00 32.13 H new ATOM 0 HB VAL A 93 -2.182 0.349 -1.877 1.00 40.31 H new ATOM 0 HG11 VAL A 93 -4.187 0.962 -0.525 1.00 12.42 H new ATOM 0 HG12 VAL A 93 -3.398 2.392 -1.231 1.00 12.42 H new ATOM 0 HG13 VAL A 93 -4.891 1.751 -1.957 1.00 12.42 H new ATOM 0 HG21 VAL A 93 -4.128 -1.198 -1.645 1.00 64.44 H new ATOM 0 HG22 VAL A 93 -4.835 -0.509 -3.126 1.00 64.44 H new ATOM 0 HG23 VAL A 93 -3.298 -1.404 -3.205 1.00 64.44 H new ATOM 1340 N GLU A 94 -2.622 3.678 -3.963 1.00 3.11 N ATOM 1341 CA GLU A 94 -1.990 4.979 -4.063 1.00 3.23 C ATOM 1342 C GLU A 94 -2.723 5.912 -3.102 1.00 22.11 C ATOM 1343 O GLU A 94 -3.948 6.010 -3.178 1.00 20.22 O ATOM 1344 CB GLU A 94 -1.986 5.442 -5.538 1.00 71.21 C ATOM 1345 CG GLU A 94 -1.385 4.353 -6.458 1.00 12.22 C ATOM 1346 CD GLU A 94 -1.043 4.802 -7.885 1.00 44.32 C ATOM 1347 OE1 GLU A 94 -1.729 5.658 -8.474 1.00 64.53 O ATOM 1348 OE2 GLU A 94 -0.045 4.276 -8.439 1.00 11.21 O ATOM 0 H GLU A 94 -3.596 3.681 -4.266 1.00 3.11 H new ATOM 0 HA GLU A 94 -0.940 4.964 -3.769 1.00 3.23 H new ATOM 0 HB2 GLU A 94 -3.004 5.670 -5.854 1.00 71.21 H new ATOM 0 HB3 GLU A 94 -1.410 6.362 -5.633 1.00 71.21 H new ATOM 0 HG2 GLU A 94 -0.478 3.968 -5.991 1.00 12.22 H new ATOM 0 HG3 GLU A 94 -2.090 3.524 -6.517 1.00 12.22 H new ATOM 1353 N ILE A 95 -1.998 6.513 -2.148 1.00 21.24 N ATOM 1354 CA ILE A 95 -2.527 7.441 -1.148 1.00 63.31 C ATOM 1355 C ILE A 95 -1.773 8.765 -1.359 1.00 42.14 C ATOM 1356 O ILE A 95 -0.552 8.804 -1.168 1.00 75.41 O ATOM 1357 CB ILE A 95 -2.337 6.887 0.297 1.00 50.02 C ATOM 1358 CG1 ILE A 95 -2.478 5.356 0.479 1.00 4.34 C ATOM 1359 CG2 ILE A 95 -3.246 7.620 1.307 1.00 73.54 C ATOM 1360 CD1 ILE A 95 -3.878 4.767 0.269 1.00 33.23 C ATOM 0 H ILE A 95 -0.994 6.359 -2.051 1.00 21.24 H new ATOM 0 HA ILE A 95 -3.601 7.583 -1.265 1.00 63.31 H new ATOM 0 HB ILE A 95 -1.287 7.095 0.500 1.00 50.02 H new ATOM 0 HG12 ILE A 95 -1.794 4.866 -0.214 1.00 4.34 H new ATOM 0 HG13 ILE A 95 -2.148 5.101 1.486 1.00 4.34 H new ATOM 0 HG21 ILE A 95 -3.088 7.209 2.304 1.00 73.54 H new ATOM 0 HG22 ILE A 95 -3.003 8.683 1.310 1.00 73.54 H new ATOM 0 HG23 ILE A 95 -4.289 7.487 1.021 1.00 73.54 H new ATOM 0 HD11 ILE A 95 -3.846 3.689 0.424 1.00 33.23 H new ATOM 0 HD12 ILE A 95 -4.572 5.216 0.980 1.00 33.23 H new ATOM 0 HD13 ILE A 95 -4.213 4.977 -0.747 1.00 33.23 H new ATOM 1371 N GLU A 96 -2.463 9.829 -1.776 1.00 32.43 N ATOM 1372 CA GLU A 96 -1.938 11.191 -1.823 1.00 73.14 C ATOM 1373 C GLU A 96 -2.489 11.914 -0.598 1.00 60.31 C ATOM 1374 O GLU A 96 -3.625 12.394 -0.610 1.00 4.41 O ATOM 1375 CB GLU A 96 -2.315 11.926 -3.126 1.00 53.14 C ATOM 1376 CG GLU A 96 -1.544 11.395 -4.336 1.00 4.11 C ATOM 1377 CD GLU A 96 -1.705 12.274 -5.577 1.00 73.35 C ATOM 1378 OE1 GLU A 96 -2.797 12.243 -6.185 1.00 15.01 O ATOM 1379 OE2 GLU A 96 -0.741 12.972 -5.985 1.00 60.32 O ATOM 0 H GLU A 96 -3.428 9.763 -2.099 1.00 32.43 H new ATOM 0 HA GLU A 96 -0.848 11.171 -1.812 1.00 73.14 H new ATOM 0 HB2 GLU A 96 -3.385 11.819 -3.304 1.00 53.14 H new ATOM 0 HB3 GLU A 96 -2.116 12.991 -3.010 1.00 53.14 H new ATOM 0 HG2 GLU A 96 -0.486 11.322 -4.083 1.00 4.11 H new ATOM 0 HG3 GLU A 96 -1.887 10.386 -4.565 1.00 4.11 H new ATOM 1384 N ASP A 97 -1.704 11.982 0.477 1.00 74.32 N ATOM 1385 CA ASP A 97 -2.082 12.721 1.683 1.00 74.22 C ATOM 1386 C ASP A 97 -1.248 14.003 1.750 1.00 14.00 C ATOM 1387 O ASP A 97 -0.399 14.254 0.891 1.00 62.52 O ATOM 1388 CB ASP A 97 -1.899 11.837 2.925 1.00 71.54 C ATOM 1389 CG ASP A 97 -2.671 12.411 4.120 1.00 73.15 C ATOM 1390 OD1 ASP A 97 -2.102 13.226 4.881 1.00 13.42 O ATOM 1391 OD2 ASP A 97 -3.832 12.030 4.311 1.00 42.25 O ATOM 0 H ASP A 97 -0.792 11.529 0.537 1.00 74.32 H new ATOM 0 HA ASP A 97 -3.136 12.999 1.650 1.00 74.22 H new ATOM 0 HB2 ASP A 97 -2.248 10.826 2.712 1.00 71.54 H new ATOM 0 HB3 ASP A 97 -0.840 11.763 3.172 1.00 71.54 H new ATOM 1395 N ARG A 98 -1.494 14.846 2.749 1.00 31.44 N ATOM 1396 CA ARG A 98 -0.564 15.887 3.144 1.00 11.14 C ATOM 1397 C ARG A 98 0.582 15.219 3.898 1.00 14.11 C ATOM 1398 O ARG A 98 1.715 15.295 3.450 1.00 64.14 O ATOM 1399 CB ARG A 98 -1.310 16.935 3.988 1.00 44.22 C ATOM 1400 CG ARG A 98 -2.166 17.843 3.094 1.00 44.34 C ATOM 1401 CD ARG A 98 -3.105 18.750 3.910 1.00 54.45 C ATOM 1402 NE ARG A 98 -3.792 19.724 3.045 1.00 12.30 N ATOM 1403 CZ ARG A 98 -4.606 19.419 2.027 1.00 44.11 C ATOM 1404 NH1 ARG A 98 -5.158 18.217 1.942 1.00 72.23 N ATOM 1405 NH2 ARG A 98 -4.863 20.303 1.082 1.00 24.10 N ATOM 0 H ARG A 98 -2.348 14.822 3.306 1.00 31.44 H new ATOM 0 HA ARG A 98 -0.147 16.415 2.286 1.00 11.14 H new ATOM 0 HB2 ARG A 98 -1.944 16.435 4.720 1.00 44.22 H new ATOM 0 HB3 ARG A 98 -0.593 17.537 4.546 1.00 44.22 H new ATOM 0 HG2 ARG A 98 -1.514 18.461 2.477 1.00 44.34 H new ATOM 0 HG3 ARG A 98 -2.758 17.228 2.416 1.00 44.34 H new ATOM 0 HD2 ARG A 98 -3.842 18.139 4.431 1.00 54.45 H new ATOM 0 HD3 ARG A 98 -2.532 19.278 4.673 1.00 54.45 H new ATOM 0 HE ARG A 98 -3.634 20.713 3.238 1.00 12.30 H new ATOM 0 HH11 ARG A 98 -4.964 17.515 2.656 1.00 72.23 H new ATOM 0 HH12 ARG A 98 -5.777 17.994 1.163 1.00 72.23 H new ATOM 0 HH21 ARG A 98 -4.440 21.230 1.122 1.00 24.10 H new ATOM 0 HH22 ARG A 98 -5.485 20.059 0.311 1.00 24.10 H new ATOM 1416 N ASP A 99 0.293 14.560 5.014 1.00 52.31 N ATOM 1417 CA ASP A 99 1.213 14.045 6.029 1.00 34.14 C ATOM 1418 C ASP A 99 1.797 12.666 5.665 1.00 51.43 C ATOM 1419 O ASP A 99 2.310 11.950 6.529 1.00 10.40 O ATOM 1420 CB ASP A 99 0.408 13.979 7.339 1.00 65.52 C ATOM 1421 CG ASP A 99 1.276 14.152 8.575 1.00 62.54 C ATOM 1422 OD1 ASP A 99 1.817 15.258 8.754 1.00 53.02 O ATOM 1423 OD2 ASP A 99 1.327 13.237 9.444 1.00 70.21 O ATOM 0 H ASP A 99 -0.676 14.353 5.256 1.00 52.31 H new ATOM 0 HA ASP A 99 2.079 14.701 6.117 1.00 34.14 H new ATOM 0 HB2 ASP A 99 -0.359 14.754 7.328 1.00 65.52 H new ATOM 0 HB3 ASP A 99 -0.108 13.021 7.395 1.00 65.52 H new ATOM 1427 N GLY A 100 1.669 12.238 4.401 1.00 33.24 N ATOM 1428 CA GLY A 100 2.101 10.918 3.948 1.00 22.22 C ATOM 1429 C GLY A 100 1.419 9.799 4.725 1.00 3.00 C ATOM 1430 O GLY A 100 2.054 8.780 5.021 1.00 33.34 O ATOM 0 H GLY A 100 1.258 12.808 3.661 1.00 33.24 H new ATOM 0 HA2 GLY A 100 1.881 10.809 2.886 1.00 22.22 H new ATOM 0 HA3 GLY A 100 3.182 10.831 4.060 1.00 22.22 H new ATOM 1434 N ARG A 101 0.177 10.034 5.153 1.00 62.41 N ATOM 1435 CA ARG A 101 -0.624 9.186 6.024 1.00 44.11 C ATOM 1436 C ARG A 101 -0.916 7.874 5.296 1.00 41.14 C ATOM 1437 O ARG A 101 -1.401 7.905 4.167 1.00 70.31 O ATOM 1438 CB ARG A 101 -1.921 9.959 6.352 1.00 10.23 C ATOM 1439 CG ARG A 101 -2.285 10.063 7.830 1.00 54.05 C ATOM 1440 CD ARG A 101 -2.502 8.700 8.491 1.00 33.24 C ATOM 1441 NE ARG A 101 -1.551 8.490 9.593 1.00 2.43 N ATOM 1442 CZ ARG A 101 -1.720 8.940 10.840 1.00 41.01 C ATOM 1443 NH1 ARG A 101 -2.766 9.696 11.164 1.00 41.32 N ATOM 1444 NH2 ARG A 101 -0.843 8.610 11.780 1.00 31.32 N ATOM 0 H ARG A 101 -0.325 10.879 4.880 1.00 62.41 H new ATOM 0 HA ARG A 101 -0.107 8.944 6.953 1.00 44.11 H new ATOM 0 HB2 ARG A 101 -1.830 10.968 5.949 1.00 10.23 H new ATOM 0 HB3 ARG A 101 -2.748 9.480 5.828 1.00 10.23 H new ATOM 0 HG2 ARG A 101 -1.492 10.594 8.357 1.00 54.05 H new ATOM 0 HG3 ARG A 101 -3.192 10.659 7.934 1.00 54.05 H new ATOM 0 HD2 ARG A 101 -3.522 8.634 8.869 1.00 33.24 H new ATOM 0 HD3 ARG A 101 -2.385 7.910 7.750 1.00 33.24 H new ATOM 0 HE ARG A 101 -0.701 7.963 9.391 1.00 2.43 H new ATOM 0 HH11 ARG A 101 -3.457 9.942 10.455 1.00 41.32 H new ATOM 0 HH12 ARG A 101 -2.877 10.030 12.121 1.00 41.32 H new ATOM 0 HH21 ARG A 101 -0.046 8.017 11.549 1.00 31.32 H new ATOM 0 HH22 ARG A 101 -0.966 8.950 12.734 1.00 31.32 H new ATOM 1455 N HIS A 102 -0.646 6.724 5.925 1.00 72.13 N ATOM 1456 CA HIS A 102 -0.898 5.427 5.301 1.00 61.15 C ATOM 1457 C HIS A 102 -2.348 4.983 5.465 1.00 63.14 C ATOM 1458 O HIS A 102 -2.813 4.171 4.679 1.00 45.20 O ATOM 1459 CB HIS A 102 0.043 4.351 5.870 1.00 50.14 C ATOM 1460 CG HIS A 102 0.076 4.229 7.378 1.00 14.32 C ATOM 1461 ND1 HIS A 102 -0.956 3.881 8.230 1.00 31.13 N ATOM 1462 CD2 HIS A 102 1.186 4.434 8.149 1.00 65.11 C ATOM 1463 CE1 HIS A 102 -0.483 3.932 9.485 1.00 62.33 C ATOM 1464 NE2 HIS A 102 0.816 4.274 9.486 1.00 23.33 N ATOM 0 H HIS A 102 -0.253 6.669 6.865 1.00 72.13 H new ATOM 0 HA HIS A 102 -0.702 5.548 4.236 1.00 61.15 H new ATOM 0 HB2 HIS A 102 -0.247 3.386 5.454 1.00 50.14 H new ATOM 0 HB3 HIS A 102 1.054 4.559 5.520 1.00 50.14 H new ATOM 0 HD2 HIS A 102 2.174 4.677 7.788 1.00 65.11 H new ATOM 0 HE1 HIS A 102 -1.066 3.727 10.371 1.00 62.33 H new ATOM 0 HE2 HIS A 102 1.415 4.393 10.303 1.00 23.33 H new ATOM 1471 N PHE A 103 -3.050 5.444 6.506 1.00 52.40 N ATOM 1472 CA PHE A 103 -4.404 5.047 6.912 1.00 22.43 C ATOM 1473 C PHE A 103 -4.623 3.540 7.197 1.00 14.35 C ATOM 1474 O PHE A 103 -5.673 3.175 7.721 1.00 42.04 O ATOM 1475 CB PHE A 103 -5.439 5.628 5.932 1.00 34.55 C ATOM 1476 CG PHE A 103 -5.816 7.069 6.204 1.00 3.23 C ATOM 1477 CD1 PHE A 103 -6.819 7.361 7.149 1.00 4.34 C ATOM 1478 CD2 PHE A 103 -5.210 8.113 5.481 1.00 44.21 C ATOM 1479 CE1 PHE A 103 -7.213 8.691 7.381 1.00 10.14 C ATOM 1480 CE2 PHE A 103 -5.614 9.439 5.709 1.00 14.44 C ATOM 1481 CZ PHE A 103 -6.608 9.732 6.659 1.00 21.25 C ATOM 0 H PHE A 103 -2.662 6.152 7.129 1.00 52.40 H new ATOM 0 HA PHE A 103 -4.551 5.487 7.899 1.00 22.43 H new ATOM 0 HB2 PHE A 103 -5.044 5.553 4.919 1.00 34.55 H new ATOM 0 HB3 PHE A 103 -6.340 5.016 5.969 1.00 34.55 H new ATOM 0 HD1 PHE A 103 -7.288 6.559 7.699 1.00 4.34 H new ATOM 0 HD2 PHE A 103 -4.440 7.896 4.756 1.00 44.21 H new ATOM 0 HE1 PHE A 103 -7.978 8.911 8.111 1.00 10.14 H new ATOM 0 HE2 PHE A 103 -5.156 10.241 5.149 1.00 14.44 H new ATOM 0 HZ PHE A 103 -6.906 10.756 6.833 1.00 21.25 H new ATOM 1490 N LEU A 104 -3.649 2.666 6.911 1.00 44.21 N ATOM 1491 CA LEU A 104 -3.706 1.214 7.136 1.00 53.14 C ATOM 1492 C LEU A 104 -4.045 0.901 8.593 1.00 53.14 C ATOM 1493 O LEU A 104 -3.418 1.461 9.492 1.00 33.43 O ATOM 1494 CB LEU A 104 -2.353 0.557 6.780 1.00 13.14 C ATOM 1495 CG LEU A 104 -1.872 0.791 5.338 1.00 53.22 C ATOM 1496 CD1 LEU A 104 -0.380 0.487 5.207 1.00 21.12 C ATOM 1497 CD2 LEU A 104 -2.689 -0.041 4.352 1.00 21.21 C ATOM 0 H LEU A 104 -2.764 2.962 6.500 1.00 44.21 H new ATOM 0 HA LEU A 104 -4.488 0.810 6.492 1.00 53.14 H new ATOM 0 HB2 LEU A 104 -1.593 0.933 7.465 1.00 13.14 H new ATOM 0 HB3 LEU A 104 -2.433 -0.517 6.950 1.00 13.14 H new ATOM 0 HG LEU A 104 -2.023 1.843 5.096 1.00 53.22 H new ATOM 0 HD11 LEU A 104 -0.062 0.660 4.179 1.00 21.12 H new ATOM 0 HD12 LEU A 104 0.184 1.138 5.875 1.00 21.12 H new ATOM 0 HD13 LEU A 104 -0.196 -0.554 5.474 1.00 21.12 H new ATOM 0 HD21 LEU A 104 -2.331 0.141 3.339 1.00 21.21 H new ATOM 0 HD22 LEU A 104 -2.580 -1.099 4.591 1.00 21.21 H new ATOM 0 HD23 LEU A 104 -3.740 0.241 4.422 1.00 21.21 H new ATOM 1508 N THR A 105 -4.980 -0.019 8.844 1.00 33.34 N ATOM 1509 CA THR A 105 -5.335 -0.444 10.202 1.00 50.31 C ATOM 1510 C THR A 105 -4.228 -1.289 10.854 1.00 31.44 C ATOM 1511 O THR A 105 -4.259 -1.496 12.068 1.00 50.23 O ATOM 1512 CB THR A 105 -6.704 -1.170 10.185 1.00 61.11 C ATOM 1513 OG1 THR A 105 -7.073 -1.670 11.456 1.00 62.01 O ATOM 1514 CG2 THR A 105 -6.798 -2.338 9.205 1.00 14.42 C ATOM 0 H THR A 105 -5.512 -0.490 8.113 1.00 33.34 H new ATOM 0 HA THR A 105 -5.431 0.444 10.827 1.00 50.31 H new ATOM 0 HB THR A 105 -7.384 -0.383 9.860 1.00 61.11 H new ATOM 0 HG1 THR A 105 -6.285 -1.699 12.038 1.00 62.01 H new ATOM 0 HG21 THR A 105 -7.791 -2.783 9.264 1.00 14.42 H new ATOM 0 HG22 THR A 105 -6.621 -1.978 8.192 1.00 14.42 H new ATOM 0 HG23 THR A 105 -6.049 -3.088 9.459 1.00 14.42 H new ATOM 1522 N GLU A 106 -3.286 -1.810 10.069 1.00 12.11 N ATOM 1523 CA GLU A 106 -2.289 -2.812 10.429 1.00 72.24 C ATOM 1524 C GLU A 106 -0.999 -2.185 10.975 1.00 24.21 C ATOM 1525 O GLU A 106 -0.825 -0.968 10.854 1.00 70.34 O ATOM 1526 CB GLU A 106 -2.048 -3.685 9.185 1.00 73.33 C ATOM 1527 CG GLU A 106 -3.075 -4.828 9.161 1.00 31.13 C ATOM 1528 CD GLU A 106 -3.444 -5.350 7.774 1.00 53.31 C ATOM 1529 OE1 GLU A 106 -3.364 -4.597 6.778 1.00 43.23 O ATOM 1530 OE2 GLU A 106 -4.036 -6.454 7.742 1.00 74.00 O ATOM 0 H GLU A 106 -3.195 -1.521 9.095 1.00 12.11 H new ATOM 0 HA GLU A 106 -2.656 -3.430 11.248 1.00 72.24 H new ATOM 0 HB2 GLU A 106 -2.136 -3.082 8.281 1.00 73.33 H new ATOM 0 HB3 GLU A 106 -1.036 -4.090 9.201 1.00 73.33 H new ATOM 0 HG2 GLU A 106 -2.684 -5.657 9.750 1.00 31.13 H new ATOM 0 HG3 GLU A 106 -3.984 -4.487 9.656 1.00 31.13 H new ATOM 1535 N PRO A 107 -0.105 -2.977 11.603 1.00 22.42 N ATOM 1536 CA PRO A 107 1.248 -2.523 11.906 1.00 70.40 C ATOM 1537 C PRO A 107 2.007 -2.150 10.628 1.00 44.43 C ATOM 1538 O PRO A 107 1.701 -2.629 9.532 1.00 63.02 O ATOM 1539 CB PRO A 107 1.937 -3.698 12.601 1.00 33.35 C ATOM 1540 CG PRO A 107 1.169 -4.918 12.115 1.00 5.21 C ATOM 1541 CD PRO A 107 -0.251 -4.387 11.945 1.00 42.22 C ATOM 0 HA PRO A 107 1.228 -1.631 12.532 1.00 70.40 H new ATOM 0 HB2 PRO A 107 2.992 -3.758 12.332 1.00 33.35 H new ATOM 0 HB3 PRO A 107 1.890 -3.603 13.686 1.00 33.35 H new ATOM 0 HG2 PRO A 107 1.571 -5.300 11.177 1.00 5.21 H new ATOM 0 HG3 PRO A 107 1.211 -5.734 12.836 1.00 5.21 H new ATOM 0 HD2 PRO A 107 -0.780 -4.928 11.160 1.00 42.22 H new ATOM 0 HD3 PRO A 107 -0.828 -4.510 12.862 1.00 42.22 H new ATOM 1546 N VAL A 108 3.035 -1.317 10.790 1.00 1.12 N ATOM 1547 CA VAL A 108 3.863 -0.830 9.703 1.00 25.44 C ATOM 1548 C VAL A 108 5.304 -0.824 10.206 1.00 45.53 C ATOM 1549 O VAL A 108 5.626 -0.100 11.150 1.00 71.35 O ATOM 1550 CB VAL A 108 3.402 0.555 9.214 1.00 3.42 C ATOM 1551 CG1 VAL A 108 4.270 1.002 8.034 1.00 72.35 C ATOM 1552 CG2 VAL A 108 1.932 0.584 8.764 1.00 1.52 C ATOM 0 H VAL A 108 3.316 -0.958 11.703 1.00 1.12 H new ATOM 0 HA VAL A 108 3.778 -1.480 8.832 1.00 25.44 H new ATOM 0 HB VAL A 108 3.505 1.228 10.065 1.00 3.42 H new ATOM 0 HG11 VAL A 108 3.940 1.983 7.691 1.00 72.35 H new ATOM 0 HG12 VAL A 108 5.312 1.059 8.350 1.00 72.35 H new ATOM 0 HG13 VAL A 108 4.176 0.283 7.220 1.00 72.35 H new ATOM 0 HG21 VAL A 108 1.673 1.589 8.432 1.00 1.52 H new ATOM 0 HG22 VAL A 108 1.789 -0.118 7.942 1.00 1.52 H new ATOM 0 HG23 VAL A 108 1.290 0.301 9.598 1.00 1.52 H new ATOM 1562 N GLU A 109 6.122 -1.675 9.590 1.00 62.13 N ATOM 1563 CA GLU A 109 7.550 -1.873 9.835 1.00 50.34 C ATOM 1564 C GLU A 109 8.395 -0.649 9.411 1.00 45.34 C ATOM 1565 O GLU A 109 7.864 0.365 8.943 1.00 74.24 O ATOM 1566 CB GLU A 109 7.967 -3.139 9.043 1.00 25.13 C ATOM 1567 CG GLU A 109 8.385 -4.342 9.900 1.00 34.32 C ATOM 1568 CD GLU A 109 9.607 -5.117 9.386 1.00 3.12 C ATOM 1569 OE1 GLU A 109 9.885 -5.101 8.170 1.00 13.34 O ATOM 1570 OE2 GLU A 109 10.270 -5.780 10.226 1.00 44.21 O ATOM 0 H GLU A 109 5.779 -2.290 8.852 1.00 62.13 H new ATOM 0 HA GLU A 109 7.731 -1.997 10.903 1.00 50.34 H new ATOM 0 HB2 GLU A 109 7.135 -3.439 8.406 1.00 25.13 H new ATOM 0 HB3 GLU A 109 8.795 -2.878 8.384 1.00 25.13 H new ATOM 0 HG2 GLU A 109 8.595 -3.992 10.911 1.00 34.32 H new ATOM 0 HG3 GLU A 109 7.542 -5.029 9.969 1.00 34.32 H new ATOM 1575 N SER A 110 9.716 -0.776 9.500 1.00 21.00 N ATOM 1576 CA SER A 110 10.762 0.045 8.911 1.00 54.21 C ATOM 1577 C SER A 110 11.716 -0.892 8.200 1.00 5.21 C ATOM 1578 O SER A 110 11.722 -2.103 8.523 1.00 25.12 O ATOM 1579 CB SER A 110 11.514 0.825 9.996 1.00 32.13 C ATOM 1580 OG SER A 110 11.126 2.179 10.052 1.00 22.10 O ATOM 0 H SER A 110 10.119 -1.538 10.045 1.00 21.00 H new ATOM 0 HA SER A 110 10.331 0.770 8.220 1.00 54.21 H new ATOM 0 HB2 SER A 110 11.335 0.358 10.965 1.00 32.13 H new ATOM 0 HB3 SER A 110 12.586 0.765 9.806 1.00 32.13 H new ATOM 0 HG SER A 110 11.630 2.635 10.758 1.00 22.10 H new