USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 17 TYR OH : rot 30:sc= 0.785 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 140:sc= -1.54! USER MOD Single : A 12 ASN : amide:sc= -2.57! X(o=-2.6!,f=-2.5) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.25! K(o=-2.2!,f=-0.81) USER MOD Single : A 28 SER OG : rot 180:sc= -0.108 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 38 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 8.513 -4.121 2.835 1.00 4.33 N ATOM 21 CA ILE A 2 7.499 -3.848 1.827 1.00 34.44 C ATOM 22 C ILE A 2 8.049 -4.151 0.435 1.00 54.21 C ATOM 23 O ILE A 2 9.214 -3.873 0.143 1.00 61.11 O ATOM 24 CB ILE A 2 7.020 -2.379 1.882 1.00 74.20 C ATOM 25 CG1 ILE A 2 6.586 -2.015 3.307 1.00 35.24 C ATOM 26 CG2 ILE A 2 5.874 -2.149 0.899 1.00 41.15 C ATOM 27 CD1 ILE A 2 6.187 -0.563 3.469 1.00 70.11 C ATOM 0 HA ILE A 2 6.645 -4.493 2.037 1.00 34.44 H new ATOM 0 HB ILE A 2 7.850 -1.734 1.595 1.00 74.20 H new ATOM 0 HG12 ILE A 2 5.746 -2.648 3.595 1.00 35.24 H new ATOM 0 HG13 ILE A 2 7.402 -2.237 3.994 1.00 35.24 H new ATOM 0 HG21 ILE A 2 5.551 -1.109 0.953 1.00 41.15 H new ATOM 0 HG22 ILE A 2 6.212 -2.372 -0.113 1.00 41.15 H new ATOM 0 HG23 ILE A 2 5.039 -2.802 1.154 1.00 41.15 H new ATOM 0 HD11 ILE A 2 5.892 -0.380 4.502 1.00 70.11 H new ATOM 0 HD12 ILE A 2 7.031 0.077 3.214 1.00 70.11 H new ATOM 0 HD13 ILE A 2 5.350 -0.340 2.808 1.00 70.11 H new ATOM 39 N PHE A 3 7.206 -4.721 -0.415 1.00 43.44 N ATOM 40 CA PHE A 3 7.613 -5.124 -1.756 1.00 2.33 C ATOM 41 C PHE A 3 6.674 -4.529 -2.801 1.00 33.15 C ATOM 42 O PHE A 3 5.546 -4.153 -2.482 1.00 70.13 O ATOM 43 CB PHE A 3 7.616 -6.653 -1.876 1.00 20.12 C ATOM 44 CG PHE A 3 8.539 -7.341 -0.913 1.00 55.04 C ATOM 45 CD1 PHE A 3 9.911 -7.200 -1.030 1.00 22.02 C ATOM 46 CD2 PHE A 3 8.035 -8.134 0.104 1.00 33.11 C ATOM 47 CE1 PHE A 3 10.763 -7.835 -0.148 1.00 52.34 C ATOM 48 CE2 PHE A 3 8.881 -8.772 0.988 1.00 65.14 C ATOM 49 CZ PHE A 3 10.248 -8.622 0.861 1.00 1.03 C ATOM 0 H PHE A 3 6.229 -4.916 -0.198 1.00 43.44 H new ATOM 0 HA PHE A 3 8.622 -4.750 -1.933 1.00 2.33 H new ATOM 0 HB2 PHE A 3 6.602 -7.021 -1.717 1.00 20.12 H new ATOM 0 HB3 PHE A 3 7.899 -6.926 -2.892 1.00 20.12 H new ATOM 0 HD1 PHE A 3 10.320 -6.587 -1.820 1.00 22.02 H new ATOM 0 HD2 PHE A 3 6.967 -8.255 0.207 1.00 33.11 H new ATOM 0 HE1 PHE A 3 11.832 -7.716 -0.248 1.00 52.34 H new ATOM 0 HE2 PHE A 3 8.475 -9.387 1.777 1.00 65.14 H new ATOM 0 HZ PHE A 3 10.913 -9.120 1.551 1.00 1.03 H new ATOM 59 N PRO A 4 7.128 -4.424 -4.063 1.00 73.21 N ATOM 60 CA PRO A 4 6.291 -3.946 -5.163 1.00 24.32 C ATOM 61 C PRO A 4 5.176 -4.936 -5.479 1.00 62.52 C ATOM 62 O PRO A 4 5.426 -6.130 -5.663 1.00 3.44 O ATOM 63 CB PRO A 4 7.256 -3.826 -6.351 1.00 43.42 C ATOM 64 CG PRO A 4 8.628 -3.936 -5.769 1.00 63.11 C ATOM 65 CD PRO A 4 8.488 -4.749 -4.515 1.00 61.33 C ATOM 0 HA PRO A 4 5.799 -3.004 -4.923 1.00 24.32 H new ATOM 0 HB2 PRO A 4 7.077 -4.614 -7.083 1.00 43.42 H new ATOM 0 HB3 PRO A 4 7.125 -2.875 -6.868 1.00 43.42 H new ATOM 0 HG2 PRO A 4 9.311 -4.416 -6.470 1.00 63.11 H new ATOM 0 HG3 PRO A 4 9.038 -2.950 -5.550 1.00 63.11 H new ATOM 0 HD2 PRO A 4 8.605 -5.815 -4.710 1.00 61.33 H new ATOM 0 HD3 PRO A 4 9.237 -4.477 -3.771 1.00 61.33 H new ATOM 73 N GLY A 5 3.950 -4.444 -5.535 1.00 64.03 N ATOM 74 CA GLY A 5 2.816 -5.317 -5.751 1.00 20.41 C ATOM 75 C GLY A 5 2.184 -5.746 -4.443 1.00 51.20 C ATOM 76 O GLY A 5 1.591 -6.818 -4.352 1.00 52.44 O ATOM 0 H GLY A 5 3.719 -3.456 -5.435 1.00 64.03 H new ATOM 0 HA2 GLY A 5 2.074 -4.805 -6.363 1.00 20.41 H new ATOM 0 HA3 GLY A 5 3.135 -6.198 -6.307 1.00 20.41 H new ATOM 80 N ALA A 6 2.328 -4.911 -3.424 1.00 53.01 N ATOM 81 CA ALA A 6 1.745 -5.191 -2.122 1.00 44.30 C ATOM 82 C ALA A 6 0.798 -4.075 -1.703 1.00 72.11 C ATOM 83 O ALA A 6 1.035 -2.902 -2.002 1.00 3.43 O ATOM 84 CB ALA A 6 2.837 -5.380 -1.079 1.00 44.14 C ATOM 0 H ALA A 6 2.845 -4.033 -3.475 1.00 53.01 H new ATOM 0 HA ALA A 6 1.172 -6.115 -2.197 1.00 44.30 H new ATOM 0 HB1 ALA A 6 2.383 -5.589 -0.110 1.00 44.14 H new ATOM 0 HB2 ALA A 6 3.475 -6.215 -1.368 1.00 44.14 H new ATOM 0 HB3 ALA A 6 3.436 -4.472 -1.011 1.00 44.14 H new ATOM 90 N THR A 7 -0.276 -4.449 -1.025 1.00 63.53 N ATOM 91 CA THR A 7 -1.255 -3.490 -0.547 1.00 21.32 C ATOM 92 C THR A 7 -0.800 -2.871 0.769 1.00 15.53 C ATOM 93 O THR A 7 -0.422 -3.578 1.706 1.00 32.33 O ATOM 94 CB THR A 7 -2.622 -4.163 -0.338 1.00 2.55 C ATOM 95 OG1 THR A 7 -2.916 -5.015 -1.456 1.00 34.22 O ATOM 96 CG2 THR A 7 -3.727 -3.126 -0.186 1.00 41.25 C ATOM 0 H THR A 7 -0.491 -5.419 -0.793 1.00 63.53 H new ATOM 0 HA THR A 7 -1.350 -2.710 -1.302 1.00 21.32 H new ATOM 0 HB THR A 7 -2.575 -4.753 0.577 1.00 2.55 H new ATOM 0 HG1 THR A 7 -3.786 -5.444 -1.320 1.00 34.22 H new ATOM 0 HG21 THR A 7 -4.682 -3.631 -0.040 1.00 41.25 H new ATOM 0 HG22 THR A 7 -3.516 -2.493 0.675 1.00 41.25 H new ATOM 0 HG23 THR A 7 -3.775 -2.511 -1.085 1.00 41.25 H new ATOM 104 N VAL A 8 -0.842 -1.552 0.834 1.00 10.12 N ATOM 105 CA VAL A 8 -0.427 -0.836 2.026 1.00 30.12 C ATOM 106 C VAL A 8 -1.507 0.134 2.478 1.00 32.43 C ATOM 107 O VAL A 8 -2.415 0.481 1.717 1.00 22.21 O ATOM 108 CB VAL A 8 0.887 -0.056 1.809 1.00 3.25 C ATOM 109 CG1 VAL A 8 2.057 -1.007 1.605 1.00 12.23 C ATOM 110 CG2 VAL A 8 0.763 0.904 0.634 1.00 13.43 C ATOM 0 H VAL A 8 -1.161 -0.954 0.072 1.00 10.12 H new ATOM 0 HA VAL A 8 -0.259 -1.589 2.796 1.00 30.12 H new ATOM 0 HB VAL A 8 1.079 0.531 2.707 1.00 3.25 H new ATOM 0 HG11 VAL A 8 2.971 -0.432 1.454 1.00 12.23 H new ATOM 0 HG12 VAL A 8 2.168 -1.641 2.485 1.00 12.23 H new ATOM 0 HG13 VAL A 8 1.871 -1.630 0.730 1.00 12.23 H new ATOM 0 HG21 VAL A 8 1.702 1.441 0.502 1.00 13.43 H new ATOM 0 HG22 VAL A 8 0.536 0.342 -0.272 1.00 13.43 H new ATOM 0 HG23 VAL A 8 -0.038 1.617 0.829 1.00 13.43 H new ATOM 120 N ARG A 9 -1.400 0.560 3.720 1.00 71.11 N ATOM 121 CA ARG A 9 -2.342 1.491 4.304 1.00 42.14 C ATOM 122 C ARG A 9 -1.611 2.757 4.740 1.00 1.21 C ATOM 123 O ARG A 9 -0.636 2.694 5.492 1.00 34.22 O ATOM 124 CB ARG A 9 -3.042 0.807 5.478 1.00 73.51 C ATOM 125 CG ARG A 9 -3.894 1.717 6.346 1.00 11.50 C ATOM 126 CD ARG A 9 -4.523 0.924 7.483 1.00 3.02 C ATOM 127 NE ARG A 9 -3.533 0.085 8.164 1.00 11.43 N ATOM 128 CZ ARG A 9 -3.830 -0.887 9.025 1.00 21.11 C ATOM 129 NH1 ARG A 9 -5.094 -1.179 9.303 1.00 71.33 N ATOM 130 NH2 ARG A 9 -2.854 -1.584 9.595 1.00 64.45 N ATOM 0 H ARG A 9 -0.655 0.269 4.354 1.00 71.11 H new ATOM 0 HA ARG A 9 -3.096 1.784 3.574 1.00 42.14 H new ATOM 0 HB2 ARG A 9 -3.674 0.009 5.088 1.00 73.51 H new ATOM 0 HB3 ARG A 9 -2.286 0.337 6.106 1.00 73.51 H new ATOM 0 HG2 ARG A 9 -3.282 2.523 6.751 1.00 11.50 H new ATOM 0 HG3 ARG A 9 -4.674 2.181 5.742 1.00 11.50 H new ATOM 0 HD2 ARG A 9 -4.975 1.610 8.200 1.00 3.02 H new ATOM 0 HD3 ARG A 9 -5.325 0.298 7.091 1.00 3.02 H new ATOM 0 HE ARG A 9 -2.548 0.257 7.965 1.00 11.43 H new ATOM 0 HH11 ARG A 9 -5.848 -0.657 8.856 1.00 71.33 H new ATOM 0 HH12 ARG A 9 -5.312 -1.925 9.964 1.00 71.33 H new ATOM 0 HH21 ARG A 9 -1.881 -1.374 9.373 1.00 64.45 H new ATOM 0 HH22 ARG A 9 -3.078 -2.329 10.255 1.00 64.45 H new ATOM 144 N VAL A 10 -2.060 3.903 4.237 1.00 15.14 N ATOM 145 CA VAL A 10 -1.400 5.172 4.521 1.00 63.23 C ATOM 146 C VAL A 10 -1.534 5.529 5.996 1.00 61.22 C ATOM 147 O VAL A 10 -2.634 5.791 6.486 1.00 73.41 O ATOM 148 CB VAL A 10 -1.969 6.317 3.658 1.00 43.24 C ATOM 149 CG1 VAL A 10 -1.220 7.617 3.916 1.00 72.34 C ATOM 150 CG2 VAL A 10 -1.918 5.952 2.183 1.00 1.23 C ATOM 0 H VAL A 10 -2.877 3.979 3.631 1.00 15.14 H new ATOM 0 HA VAL A 10 -0.346 5.049 4.273 1.00 63.23 H new ATOM 0 HB VAL A 10 -3.011 6.467 3.939 1.00 43.24 H new ATOM 0 HG11 VAL A 10 -1.640 8.408 3.295 1.00 72.34 H new ATOM 0 HG12 VAL A 10 -1.316 7.890 4.967 1.00 72.34 H new ATOM 0 HG13 VAL A 10 -0.166 7.485 3.671 1.00 72.34 H new ATOM 0 HG21 VAL A 10 -2.324 6.772 1.591 1.00 1.23 H new ATOM 0 HG22 VAL A 10 -0.884 5.769 1.889 1.00 1.23 H new ATOM 0 HG23 VAL A 10 -2.509 5.053 2.010 1.00 1.23 H new ATOM 160 N THR A 11 -0.409 5.525 6.699 1.00 42.12 N ATOM 161 CA THR A 11 -0.398 5.770 8.130 1.00 35.53 C ATOM 162 C THR A 11 -0.086 7.232 8.432 1.00 54.22 C ATOM 163 O THR A 11 -0.221 7.683 9.571 1.00 61.11 O ATOM 164 CB THR A 11 0.652 4.885 8.818 1.00 42.22 C ATOM 165 OG1 THR A 11 0.938 3.745 7.996 1.00 34.14 O ATOM 166 CG2 THR A 11 0.155 4.419 10.177 1.00 22.13 C ATOM 0 H THR A 11 0.512 5.353 6.296 1.00 42.12 H new ATOM 0 HA THR A 11 -1.390 5.529 8.513 1.00 35.53 H new ATOM 0 HB THR A 11 1.559 5.472 8.960 1.00 42.22 H new ATOM 0 HG1 THR A 11 1.900 3.558 8.019 1.00 34.14 H new ATOM 0 HG21 THR A 11 0.914 3.794 10.647 1.00 22.13 H new ATOM 0 HG22 THR A 11 -0.044 5.285 10.808 1.00 22.13 H new ATOM 0 HG23 THR A 11 -0.762 3.844 10.051 1.00 22.13 H new ATOM 174 N ASN A 12 0.346 7.961 7.411 1.00 42.03 N ATOM 175 CA ASN A 12 0.657 9.379 7.556 1.00 3.21 C ATOM 176 C ASN A 12 -0.608 10.168 7.866 1.00 62.12 C ATOM 177 O ASN A 12 -1.511 10.264 7.037 1.00 21.51 O ATOM 178 CB ASN A 12 1.327 9.910 6.282 1.00 62.22 C ATOM 179 CG ASN A 12 1.673 11.387 6.368 1.00 2.11 C ATOM 180 OD1 ASN A 12 1.883 11.931 7.453 1.00 63.10 O ATOM 181 ND2 ASN A 12 1.742 12.047 5.223 1.00 12.42 N ATOM 0 H ASN A 12 0.490 7.593 6.471 1.00 42.03 H new ATOM 0 HA ASN A 12 1.352 9.502 8.387 1.00 3.21 H new ATOM 0 HB2 ASN A 12 2.236 9.340 6.091 1.00 62.22 H new ATOM 0 HB3 ASN A 12 0.663 9.746 5.433 1.00 62.22 H new ATOM 0 HD21 ASN A 12 1.976 13.040 5.220 1.00 12.42 H new ATOM 0 HD22 ASN A 12 1.562 11.563 4.344 1.00 12.42 H new ATOM 188 N VAL A 13 -0.670 10.718 9.073 1.00 1.22 N ATOM 189 CA VAL A 13 -1.860 11.406 9.551 1.00 40.51 C ATOM 190 C VAL A 13 -2.078 12.722 8.816 1.00 2.40 C ATOM 191 O VAL A 13 -3.207 13.076 8.476 1.00 45.41 O ATOM 192 CB VAL A 13 -1.779 11.676 11.067 1.00 41.54 C ATOM 193 CG1 VAL A 13 -3.049 12.347 11.564 1.00 23.12 C ATOM 194 CG2 VAL A 13 -1.521 10.386 11.826 1.00 15.30 C ATOM 0 H VAL A 13 0.099 10.699 9.743 1.00 1.22 H new ATOM 0 HA VAL A 13 -2.705 10.748 9.351 1.00 40.51 H new ATOM 0 HB VAL A 13 -0.945 12.353 11.249 1.00 41.54 H new ATOM 0 HG11 VAL A 13 -2.969 12.528 12.636 1.00 23.12 H new ATOM 0 HG12 VAL A 13 -3.186 13.296 11.045 1.00 23.12 H new ATOM 0 HG13 VAL A 13 -3.903 11.699 11.368 1.00 23.12 H new ATOM 0 HG21 VAL A 13 -1.467 10.597 12.894 1.00 15.30 H new ATOM 0 HG22 VAL A 13 -2.332 9.683 11.635 1.00 15.30 H new ATOM 0 HG23 VAL A 13 -0.578 9.951 11.494 1.00 15.30 H new ATOM 204 N ASP A 14 -0.993 13.433 8.544 1.00 3.42 N ATOM 205 CA ASP A 14 -1.074 14.726 7.874 1.00 45.05 C ATOM 206 C ASP A 14 -1.104 14.520 6.363 1.00 3.01 C ATOM 207 O ASP A 14 -0.573 15.314 5.588 1.00 51.21 O ATOM 208 CB ASP A 14 0.106 15.619 8.283 1.00 13.32 C ATOM 209 CG ASP A 14 -0.020 17.031 7.740 1.00 33.35 C ATOM 210 OD1 ASP A 14 -1.013 17.712 8.068 1.00 63.40 O ATOM 211 OD2 ASP A 14 0.863 17.462 6.967 1.00 24.24 O ATOM 0 H ASP A 14 -0.045 13.137 8.777 1.00 3.42 H new ATOM 0 HA ASP A 14 -1.993 15.228 8.177 1.00 45.05 H new ATOM 0 HB2 ASP A 14 0.170 15.655 9.370 1.00 13.32 H new ATOM 0 HB3 ASP A 14 1.035 15.176 7.923 1.00 13.32 H new ATOM 216 N ASP A 15 -1.738 13.440 5.951 1.00 10.22 N ATOM 217 CA ASP A 15 -1.861 13.123 4.544 1.00 22.43 C ATOM 218 C ASP A 15 -3.323 13.144 4.125 1.00 71.44 C ATOM 219 O ASP A 15 -4.216 13.022 4.965 1.00 52.22 O ATOM 220 CB ASP A 15 -1.263 11.752 4.250 1.00 21.03 C ATOM 221 CG ASP A 15 -0.915 11.590 2.791 1.00 54.12 C ATOM 222 OD1 ASP A 15 -1.816 11.249 1.995 1.00 53.22 O ATOM 223 OD2 ASP A 15 0.255 11.838 2.434 1.00 21.23 O ATOM 0 H ASP A 15 -2.178 12.764 6.576 1.00 10.22 H new ATOM 0 HA ASP A 15 -1.315 13.876 3.975 1.00 22.43 H new ATOM 0 HB2 ASP A 15 -0.367 11.610 4.855 1.00 21.03 H new ATOM 0 HB3 ASP A 15 -1.971 10.977 4.542 1.00 21.03 H new ATOM 228 N THR A 16 -3.562 13.297 2.833 1.00 72.40 N ATOM 229 CA THR A 16 -4.913 13.314 2.301 1.00 33.03 C ATOM 230 C THR A 16 -5.485 11.897 2.259 1.00 61.34 C ATOM 231 O THR A 16 -6.686 11.688 2.439 1.00 24.31 O ATOM 232 CB THR A 16 -4.931 13.916 0.882 1.00 64.02 C ATOM 233 OG1 THR A 16 -4.222 15.164 0.868 1.00 11.21 O ATOM 234 CG2 THR A 16 -6.356 14.140 0.399 1.00 74.12 C ATOM 0 H THR A 16 -2.832 13.412 2.130 1.00 72.40 H new ATOM 0 HA THR A 16 -5.527 13.932 2.957 1.00 33.03 H new ATOM 0 HB THR A 16 -4.444 13.208 0.211 1.00 64.02 H new ATOM 0 HG1 THR A 16 -4.237 15.539 -0.037 1.00 11.21 H new ATOM 0 HG21 THR A 16 -6.337 14.565 -0.604 1.00 74.12 H new ATOM 0 HG22 THR A 16 -6.888 13.189 0.380 1.00 74.12 H new ATOM 0 HG23 THR A 16 -6.866 14.827 1.075 1.00 74.12 H new ATOM 242 N TYR A 17 -4.607 10.925 2.058 1.00 21.41 N ATOM 243 CA TYR A 17 -5.023 9.543 1.875 1.00 15.04 C ATOM 244 C TYR A 17 -4.865 8.748 3.164 1.00 54.05 C ATOM 245 O TYR A 17 -4.744 7.525 3.146 1.00 43.41 O ATOM 246 CB TYR A 17 -4.206 8.908 0.749 1.00 43.12 C ATOM 247 CG TYR A 17 -4.215 9.727 -0.525 1.00 13.35 C ATOM 248 CD1 TYR A 17 -5.305 9.697 -1.386 1.00 1.41 C ATOM 249 CD2 TYR A 17 -3.137 10.540 -0.860 1.00 74.23 C ATOM 250 CE1 TYR A 17 -5.322 10.454 -2.542 1.00 41.13 C ATOM 251 CE2 TYR A 17 -3.146 11.298 -2.015 1.00 1.34 C ATOM 252 CZ TYR A 17 -4.240 11.250 -2.851 1.00 25.04 C ATOM 253 OH TYR A 17 -4.256 12.013 -3.996 1.00 74.12 O ATOM 0 H TYR A 17 -3.598 11.069 2.018 1.00 21.41 H new ATOM 0 HA TYR A 17 -6.079 9.529 1.605 1.00 15.04 H new ATOM 0 HB2 TYR A 17 -3.177 8.778 1.083 1.00 43.12 H new ATOM 0 HB3 TYR A 17 -4.600 7.914 0.538 1.00 43.12 H new ATOM 0 HD1 TYR A 17 -6.153 9.072 -1.148 1.00 1.41 H new ATOM 0 HD2 TYR A 17 -2.278 10.579 -0.206 1.00 74.23 H new ATOM 0 HE1 TYR A 17 -6.178 10.422 -3.200 1.00 41.13 H new ATOM 0 HE2 TYR A 17 -2.301 11.924 -2.261 1.00 1.34 H new ATOM 0 HH TYR A 17 -5.179 12.265 -4.209 1.00 74.12 H new ATOM 263 N TYR A 18 -4.901 9.454 4.284 1.00 55.51 N ATOM 264 CA TYR A 18 -4.764 8.834 5.599 1.00 22.34 C ATOM 265 C TYR A 18 -5.852 7.777 5.828 1.00 64.01 C ATOM 266 O TYR A 18 -7.039 8.042 5.628 1.00 51.13 O ATOM 267 CB TYR A 18 -4.813 9.912 6.689 1.00 13.42 C ATOM 268 CG TYR A 18 -4.679 9.379 8.099 1.00 1.31 C ATOM 269 CD1 TYR A 18 -3.712 8.435 8.429 1.00 53.23 C ATOM 270 CD2 TYR A 18 -5.525 9.827 9.103 1.00 33.53 C ATOM 271 CE1 TYR A 18 -3.596 7.954 9.721 1.00 52.50 C ATOM 272 CE2 TYR A 18 -5.415 9.353 10.393 1.00 21.14 C ATOM 273 CZ TYR A 18 -4.451 8.418 10.700 1.00 40.04 C ATOM 274 OH TYR A 18 -4.345 7.944 11.989 1.00 1.21 O ATOM 0 H TYR A 18 -5.025 10.466 4.311 1.00 55.51 H new ATOM 0 HA TYR A 18 -3.800 8.328 5.646 1.00 22.34 H new ATOM 0 HB2 TYR A 18 -4.015 10.632 6.508 1.00 13.42 H new ATOM 0 HB3 TYR A 18 -5.755 10.454 6.606 1.00 13.42 H new ATOM 0 HD1 TYR A 18 -3.041 8.072 7.664 1.00 53.23 H new ATOM 0 HD2 TYR A 18 -6.283 10.560 8.870 1.00 33.53 H new ATOM 0 HE1 TYR A 18 -2.841 7.220 9.962 1.00 52.50 H new ATOM 0 HE2 TYR A 18 -6.083 9.714 11.161 1.00 21.14 H new ATOM 0 HH TYR A 18 -5.021 8.375 12.553 1.00 1.21 H new ATOM 284 N ARG A 19 -5.412 6.578 6.234 1.00 4.23 N ATOM 285 CA ARG A 19 -6.288 5.427 6.513 1.00 4.22 C ATOM 286 C ARG A 19 -6.774 4.742 5.235 1.00 50.34 C ATOM 287 O ARG A 19 -7.375 3.667 5.293 1.00 4.12 O ATOM 288 CB ARG A 19 -7.492 5.812 7.383 1.00 21.43 C ATOM 289 CG ARG A 19 -7.125 6.277 8.781 1.00 71.21 C ATOM 290 CD ARG A 19 -8.354 6.394 9.668 1.00 71.11 C ATOM 291 NE ARG A 19 -8.907 5.084 10.022 1.00 55.31 N ATOM 292 CZ ARG A 19 -10.001 4.910 10.767 1.00 4.01 C ATOM 293 NH1 ARG A 19 -10.720 5.954 11.161 1.00 12.24 N ATOM 294 NH2 ARG A 19 -10.382 3.687 11.109 1.00 31.54 N ATOM 0 H ARG A 19 -4.423 6.375 6.381 1.00 4.23 H new ATOM 0 HA ARG A 19 -5.673 4.719 7.068 1.00 4.22 H new ATOM 0 HB2 ARG A 19 -8.049 6.604 6.883 1.00 21.43 H new ATOM 0 HB3 ARG A 19 -8.159 4.954 7.461 1.00 21.43 H new ATOM 0 HG2 ARG A 19 -6.419 5.575 9.226 1.00 71.21 H new ATOM 0 HG3 ARG A 19 -6.622 7.242 8.725 1.00 71.21 H new ATOM 0 HD2 ARG A 19 -8.093 6.934 10.578 1.00 71.11 H new ATOM 0 HD3 ARG A 19 -9.116 6.982 9.155 1.00 71.11 H new ATOM 0 HE ARG A 19 -8.426 4.253 9.678 1.00 55.31 H new ATOM 0 HH11 ARG A 19 -10.438 6.897 10.895 1.00 12.24 H new ATOM 0 HH12 ARG A 19 -11.555 5.813 11.730 1.00 12.24 H new ATOM 0 HH21 ARG A 19 -9.839 2.879 10.803 1.00 31.54 H new ATOM 0 HH22 ARG A 19 -11.218 3.554 11.678 1.00 31.54 H new ATOM 308 N PHE A 20 -6.508 5.343 4.082 1.00 62.02 N ATOM 309 CA PHE A 20 -6.920 4.756 2.816 1.00 3.10 C ATOM 310 C PHE A 20 -5.949 3.665 2.384 1.00 2.23 C ATOM 311 O PHE A 20 -4.798 3.627 2.826 1.00 43.33 O ATOM 312 CB PHE A 20 -7.043 5.831 1.732 1.00 62.22 C ATOM 313 CG PHE A 20 -8.242 6.724 1.906 1.00 22.02 C ATOM 314 CD1 PHE A 20 -9.496 6.306 1.489 1.00 10.23 C ATOM 315 CD2 PHE A 20 -8.118 7.977 2.486 1.00 51.35 C ATOM 316 CE1 PHE A 20 -10.603 7.119 1.646 1.00 30.22 C ATOM 317 CE2 PHE A 20 -9.221 8.794 2.646 1.00 35.23 C ATOM 318 CZ PHE A 20 -10.465 8.365 2.225 1.00 15.53 C ATOM 0 H PHE A 20 -6.012 6.230 3.999 1.00 62.02 H new ATOM 0 HA PHE A 20 -7.901 4.302 2.958 1.00 3.10 H new ATOM 0 HB2 PHE A 20 -6.141 6.443 1.734 1.00 62.22 H new ATOM 0 HB3 PHE A 20 -7.098 5.348 0.757 1.00 62.22 H new ATOM 0 HD1 PHE A 20 -9.610 5.332 1.036 1.00 10.23 H new ATOM 0 HD2 PHE A 20 -7.148 8.319 2.817 1.00 51.35 H new ATOM 0 HE1 PHE A 20 -11.574 6.780 1.316 1.00 30.22 H new ATOM 0 HE2 PHE A 20 -9.111 9.768 3.100 1.00 35.23 H new ATOM 0 HZ PHE A 20 -11.328 9.003 2.348 1.00 15.53 H new ATOM 328 N GLU A 21 -6.429 2.775 1.531 1.00 44.31 N ATOM 329 CA GLU A 21 -5.651 1.627 1.094 1.00 34.42 C ATOM 330 C GLU A 21 -5.147 1.836 -0.329 1.00 2.04 C ATOM 331 O GLU A 21 -5.876 2.339 -1.186 1.00 61.52 O ATOM 332 CB GLU A 21 -6.511 0.361 1.164 1.00 52.35 C ATOM 333 CG GLU A 21 -7.168 0.150 2.518 1.00 60.24 C ATOM 334 CD GLU A 21 -8.083 -1.058 2.550 1.00 13.41 C ATOM 335 OE1 GLU A 21 -9.208 -0.972 2.011 1.00 44.45 O ATOM 336 OE2 GLU A 21 -7.692 -2.089 3.130 1.00 53.33 O ATOM 0 H GLU A 21 -7.363 2.827 1.124 1.00 44.31 H new ATOM 0 HA GLU A 21 -4.791 1.514 1.754 1.00 34.42 H new ATOM 0 HB2 GLU A 21 -7.284 0.414 0.398 1.00 52.35 H new ATOM 0 HB3 GLU A 21 -5.890 -0.504 0.931 1.00 52.35 H new ATOM 0 HG2 GLU A 21 -6.394 0.033 3.277 1.00 60.24 H new ATOM 0 HG3 GLU A 21 -7.740 1.040 2.781 1.00 60.24 H new ATOM 343 N GLY A 22 -3.904 1.453 -0.572 1.00 11.12 N ATOM 344 CA GLY A 22 -3.322 1.596 -1.890 1.00 13.54 C ATOM 345 C GLY A 22 -2.373 0.462 -2.204 1.00 52.10 C ATOM 346 O GLY A 22 -2.054 -0.341 -1.327 1.00 53.02 O ATOM 0 H GLY A 22 -3.283 1.043 0.125 1.00 11.12 H new ATOM 0 HA2 GLY A 22 -4.115 1.626 -2.637 1.00 13.54 H new ATOM 0 HA3 GLY A 22 -2.789 2.545 -1.952 1.00 13.54 H new ATOM 350 N LEU A 23 -1.907 0.392 -3.440 1.00 23.22 N ATOM 351 CA LEU A 23 -1.024 -0.688 -3.847 1.00 30.10 C ATOM 352 C LEU A 23 0.310 -0.117 -4.323 1.00 3.11 C ATOM 353 O LEU A 23 0.351 0.708 -5.238 1.00 25.12 O ATOM 354 CB LEU A 23 -1.700 -1.516 -4.953 1.00 11.50 C ATOM 355 CG LEU A 23 -1.217 -2.965 -5.106 1.00 32.20 C ATOM 356 CD1 LEU A 23 -2.211 -3.767 -5.932 1.00 14.11 C ATOM 357 CD2 LEU A 23 0.155 -3.018 -5.757 1.00 1.11 C ATOM 0 H LEU A 23 -2.124 1.066 -4.175 1.00 23.22 H new ATOM 0 HA LEU A 23 -0.828 -1.343 -2.998 1.00 30.10 H new ATOM 0 HB2 LEU A 23 -2.773 -1.531 -4.762 1.00 11.50 H new ATOM 0 HB3 LEU A 23 -1.552 -1.003 -5.904 1.00 11.50 H new ATOM 0 HG LEU A 23 -1.142 -3.401 -4.110 1.00 32.20 H new ATOM 0 HD11 LEU A 23 -1.856 -4.793 -6.033 1.00 14.11 H new ATOM 0 HD12 LEU A 23 -3.181 -3.766 -5.436 1.00 14.11 H new ATOM 0 HD13 LEU A 23 -2.309 -3.318 -6.920 1.00 14.11 H new ATOM 0 HD21 LEU A 23 0.472 -4.056 -5.853 1.00 1.11 H new ATOM 0 HD22 LEU A 23 0.107 -2.561 -6.745 1.00 1.11 H new ATOM 0 HD23 LEU A 23 0.871 -2.475 -5.140 1.00 1.11 H new ATOM 369 N VAL A 24 1.397 -0.547 -3.691 1.00 11.52 N ATOM 370 CA VAL A 24 2.730 -0.063 -4.037 1.00 73.42 C ATOM 371 C VAL A 24 3.149 -0.571 -5.408 1.00 63.32 C ATOM 372 O VAL A 24 3.190 -1.777 -5.650 1.00 33.42 O ATOM 373 CB VAL A 24 3.787 -0.492 -3.002 1.00 70.41 C ATOM 374 CG1 VAL A 24 5.133 0.132 -3.326 1.00 23.01 C ATOM 375 CG2 VAL A 24 3.353 -0.117 -1.596 1.00 52.21 C ATOM 0 H VAL A 24 1.381 -1.231 -2.935 1.00 11.52 H new ATOM 0 HA VAL A 24 2.674 1.026 -4.046 1.00 73.42 H new ATOM 0 HB VAL A 24 3.886 -1.576 -3.049 1.00 70.41 H new ATOM 0 HG11 VAL A 24 5.868 -0.182 -2.584 1.00 23.01 H new ATOM 0 HG12 VAL A 24 5.455 -0.192 -4.316 1.00 23.01 H new ATOM 0 HG13 VAL A 24 5.044 1.218 -3.311 1.00 23.01 H new ATOM 0 HG21 VAL A 24 4.116 -0.431 -0.884 1.00 52.21 H new ATOM 0 HG22 VAL A 24 3.219 0.963 -1.532 1.00 52.21 H new ATOM 0 HG23 VAL A 24 2.412 -0.614 -1.361 1.00 52.21 H new ATOM 385 N GLN A 25 3.464 0.355 -6.295 1.00 54.05 N ATOM 386 CA GLN A 25 3.840 0.014 -7.656 1.00 41.21 C ATOM 387 C GLN A 25 5.346 0.012 -7.812 1.00 75.44 C ATOM 388 O GLN A 25 5.903 -0.743 -8.608 1.00 4.34 O ATOM 389 CB GLN A 25 3.232 1.011 -8.635 1.00 10.52 C ATOM 390 CG GLN A 25 1.729 0.868 -8.805 1.00 33.13 C ATOM 391 CD GLN A 25 1.332 -0.479 -9.374 1.00 63.50 C ATOM 392 OE1 GLN A 25 1.249 -0.655 -10.588 1.00 21.52 O ATOM 393 NE2 GLN A 25 1.082 -1.439 -8.500 1.00 23.31 N ATOM 0 H GLN A 25 3.467 1.355 -6.096 1.00 54.05 H new ATOM 0 HA GLN A 25 3.461 -0.985 -7.871 1.00 41.21 H new ATOM 0 HB2 GLN A 25 3.455 2.022 -8.294 1.00 10.52 H new ATOM 0 HB3 GLN A 25 3.711 0.890 -9.607 1.00 10.52 H new ATOM 0 HG2 GLN A 25 1.243 1.008 -7.839 1.00 33.13 H new ATOM 0 HG3 GLN A 25 1.365 1.657 -9.462 1.00 33.13 H new ATOM 0 HE21 GLN A 25 1.162 -1.252 -7.500 1.00 23.31 H new ATOM 0 HE22 GLN A 25 0.809 -2.366 -8.825 1.00 23.31 H new ATOM 402 N ARG A 26 5.999 0.856 -7.039 1.00 62.20 N ATOM 403 CA ARG A 26 7.430 1.052 -7.163 1.00 44.23 C ATOM 404 C ARG A 26 8.032 1.346 -5.799 1.00 23.01 C ATOM 405 O ARG A 26 7.665 2.322 -5.143 1.00 53.15 O ATOM 406 CB ARG A 26 7.708 2.197 -8.139 1.00 4.10 C ATOM 407 CG ARG A 26 9.164 2.322 -8.553 1.00 55.52 C ATOM 408 CD ARG A 26 9.327 3.363 -9.648 1.00 73.01 C ATOM 409 NE ARG A 26 10.689 3.412 -10.166 1.00 4.42 N ATOM 410 CZ ARG A 26 11.000 3.253 -11.453 1.00 23.42 C ATOM 411 NH1 ARG A 26 10.045 3.039 -12.350 1.00 74.33 N ATOM 412 NH2 ARG A 26 12.265 3.318 -11.847 1.00 45.13 N ATOM 0 H ARG A 26 5.558 1.421 -6.313 1.00 62.20 H new ATOM 0 HA ARG A 26 7.891 0.144 -7.552 1.00 44.23 H new ATOM 0 HB2 ARG A 26 7.099 2.055 -9.032 1.00 4.10 H new ATOM 0 HB3 ARG A 26 7.390 3.134 -7.682 1.00 4.10 H new ATOM 0 HG2 ARG A 26 9.770 2.598 -7.690 1.00 55.52 H new ATOM 0 HG3 ARG A 26 9.531 1.358 -8.905 1.00 55.52 H new ATOM 0 HD2 ARG A 26 8.638 3.141 -10.463 1.00 73.01 H new ATOM 0 HD3 ARG A 26 9.053 4.343 -9.258 1.00 73.01 H new ATOM 0 HE ARG A 26 11.448 3.578 -9.505 1.00 4.42 H new ATOM 0 HH11 ARG A 26 9.069 2.996 -12.056 1.00 74.33 H new ATOM 0 HH12 ARG A 26 10.287 2.918 -13.333 1.00 74.33 H new ATOM 0 HH21 ARG A 26 13.003 3.490 -11.165 1.00 45.13 H new ATOM 0 HH22 ARG A 26 12.499 3.196 -12.832 1.00 45.13 H new ATOM 426 N VAL A 27 8.933 0.483 -5.369 1.00 1.32 N ATOM 427 CA VAL A 27 9.584 0.625 -4.074 1.00 75.13 C ATOM 428 C VAL A 27 11.005 1.152 -4.235 1.00 3.41 C ATOM 429 O VAL A 27 11.794 0.618 -5.016 1.00 73.23 O ATOM 430 CB VAL A 27 9.628 -0.718 -3.310 1.00 53.24 C ATOM 431 CG1 VAL A 27 10.303 -0.558 -1.956 1.00 62.41 C ATOM 432 CG2 VAL A 27 8.230 -1.283 -3.138 1.00 12.44 C ATOM 0 H VAL A 27 9.235 -0.333 -5.902 1.00 1.32 H new ATOM 0 HA VAL A 27 8.994 1.338 -3.499 1.00 75.13 H new ATOM 0 HB VAL A 27 10.217 -1.418 -3.902 1.00 53.24 H new ATOM 0 HG11 VAL A 27 10.319 -1.519 -1.442 1.00 62.41 H new ATOM 0 HG12 VAL A 27 11.324 -0.205 -2.098 1.00 62.41 H new ATOM 0 HG13 VAL A 27 9.750 0.165 -1.357 1.00 62.41 H new ATOM 0 HG21 VAL A 27 8.284 -2.228 -2.598 1.00 12.44 H new ATOM 0 HG22 VAL A 27 7.619 -0.577 -2.575 1.00 12.44 H new ATOM 0 HG23 VAL A 27 7.782 -1.450 -4.118 1.00 12.44 H new ATOM 442 N SER A 28 11.321 2.199 -3.495 1.00 23.54 N ATOM 443 CA SER A 28 12.657 2.758 -3.484 1.00 62.23 C ATOM 444 C SER A 28 13.338 2.389 -2.164 1.00 3.50 C ATOM 445 O SER A 28 12.740 1.716 -1.319 1.00 60.31 O ATOM 446 CB SER A 28 12.580 4.284 -3.665 1.00 44.40 C ATOM 447 OG SER A 28 13.866 4.878 -3.707 1.00 43.54 O ATOM 0 H SER A 28 10.660 2.683 -2.887 1.00 23.54 H new ATOM 0 HA SER A 28 13.245 2.351 -4.306 1.00 62.23 H new ATOM 0 HB2 SER A 28 12.044 4.513 -4.586 1.00 44.40 H new ATOM 0 HB3 SER A 28 12.006 4.718 -2.846 1.00 44.40 H new ATOM 0 HG SER A 28 13.775 5.847 -3.825 1.00 43.54 H new ATOM 453 N ASP A 29 14.571 2.834 -1.979 1.00 70.42 N ATOM 454 CA ASP A 29 15.331 2.537 -0.768 1.00 71.30 C ATOM 455 C ASP A 29 14.927 3.466 0.377 1.00 52.42 C ATOM 456 O ASP A 29 15.725 3.756 1.269 1.00 61.01 O ATOM 457 CB ASP A 29 16.832 2.657 -1.037 1.00 21.24 C ATOM 458 CG ASP A 29 17.397 1.461 -1.783 1.00 25.34 C ATOM 459 OD1 ASP A 29 17.278 1.411 -3.025 1.00 24.23 O ATOM 460 OD2 ASP A 29 17.981 0.569 -1.125 1.00 32.32 O ATOM 0 H ASP A 29 15.073 3.407 -2.657 1.00 70.42 H new ATOM 0 HA ASP A 29 15.105 1.512 -0.473 1.00 71.30 H new ATOM 0 HB2 ASP A 29 17.021 3.562 -1.615 1.00 21.24 H new ATOM 0 HB3 ASP A 29 17.358 2.769 -0.089 1.00 21.24 H new ATOM 465 N GLY A 30 13.674 3.898 0.359 1.00 12.34 N ATOM 466 CA GLY A 30 13.176 4.811 1.367 1.00 24.43 C ATOM 467 C GLY A 30 11.829 5.388 0.986 1.00 12.24 C ATOM 468 O GLY A 30 11.012 5.719 1.846 1.00 52.32 O ATOM 0 H GLY A 30 12.987 3.628 -0.345 1.00 12.34 H new ATOM 0 HA2 GLY A 30 13.092 4.289 2.320 1.00 24.43 H new ATOM 0 HA3 GLY A 30 13.891 5.621 1.509 1.00 24.43 H new ATOM 472 N LYS A 31 11.601 5.510 -0.313 1.00 2.30 N ATOM 473 CA LYS A 31 10.351 6.017 -0.830 1.00 5.21 C ATOM 474 C LYS A 31 9.509 4.879 -1.399 1.00 10.14 C ATOM 475 O LYS A 31 10.016 3.783 -1.636 1.00 35.22 O ATOM 476 CB LYS A 31 10.639 7.038 -1.924 1.00 63.11 C ATOM 477 CG LYS A 31 11.433 8.244 -1.451 1.00 45.22 C ATOM 478 CD LYS A 31 11.797 9.155 -2.612 1.00 50.41 C ATOM 479 CE LYS A 31 12.580 10.374 -2.150 1.00 44.45 C ATOM 480 NZ LYS A 31 11.736 11.322 -1.374 1.00 35.11 N ATOM 0 H LYS A 31 12.279 5.259 -1.032 1.00 2.30 H new ATOM 0 HA LYS A 31 9.795 6.489 -0.020 1.00 5.21 H new ATOM 0 HB2 LYS A 31 11.187 6.548 -2.729 1.00 63.11 H new ATOM 0 HB3 LYS A 31 9.694 7.381 -2.345 1.00 63.11 H new ATOM 0 HG2 LYS A 31 10.850 8.801 -0.718 1.00 45.22 H new ATOM 0 HG3 LYS A 31 12.341 7.910 -0.949 1.00 45.22 H new ATOM 0 HD2 LYS A 31 12.388 8.598 -3.340 1.00 50.41 H new ATOM 0 HD3 LYS A 31 10.888 9.478 -3.119 1.00 50.41 H new ATOM 0 HE2 LYS A 31 13.421 10.052 -1.536 1.00 44.45 H new ATOM 0 HE3 LYS A 31 12.996 10.887 -3.017 1.00 44.45 H new ATOM 0 HZ1 LYS A 31 12.287 12.176 -1.152 1.00 35.11 H new ATOM 0 HZ2 LYS A 31 10.902 11.585 -1.937 1.00 35.11 H new ATOM 0 HZ3 LYS A 31 11.429 10.869 -0.490 1.00 35.11 H new ATOM 494 N ALA A 32 8.230 5.142 -1.622 1.00 25.05 N ATOM 495 CA ALA A 32 7.334 4.150 -2.206 1.00 62.42 C ATOM 496 C ALA A 32 6.232 4.833 -2.999 1.00 40.41 C ATOM 497 O ALA A 32 5.681 5.838 -2.560 1.00 62.54 O ATOM 498 CB ALA A 32 6.731 3.273 -1.120 1.00 23.03 C ATOM 0 H ALA A 32 7.787 6.035 -1.408 1.00 25.05 H new ATOM 0 HA ALA A 32 7.912 3.520 -2.882 1.00 62.42 H new ATOM 0 HB1 ALA A 32 6.065 2.539 -1.573 1.00 23.03 H new ATOM 0 HB2 ALA A 32 7.528 2.758 -0.584 1.00 23.03 H new ATOM 0 HB3 ALA A 32 6.167 3.893 -0.423 1.00 23.03 H new ATOM 504 N ALA A 33 5.913 4.293 -4.165 1.00 4.50 N ATOM 505 CA ALA A 33 4.872 4.863 -5.003 1.00 73.24 C ATOM 506 C ALA A 33 3.588 4.060 -4.852 1.00 2.44 C ATOM 507 O ALA A 33 3.514 2.907 -5.283 1.00 12.24 O ATOM 508 CB ALA A 33 5.321 4.886 -6.456 1.00 31.45 C ATOM 0 H ALA A 33 6.360 3.462 -4.551 1.00 4.50 H new ATOM 0 HA ALA A 33 4.682 5.888 -4.686 1.00 73.24 H new ATOM 0 HB1 ALA A 33 4.532 5.315 -7.074 1.00 31.45 H new ATOM 0 HB2 ALA A 33 6.224 5.490 -6.548 1.00 31.45 H new ATOM 0 HB3 ALA A 33 5.529 3.869 -6.789 1.00 31.45 H new ATOM 514 N VAL A 34 2.591 4.666 -4.230 1.00 1.14 N ATOM 515 CA VAL A 34 1.333 3.992 -3.957 1.00 22.54 C ATOM 516 C VAL A 34 0.275 4.388 -4.974 1.00 55.44 C ATOM 517 O VAL A 34 0.061 5.571 -5.236 1.00 45.54 O ATOM 518 CB VAL A 34 0.827 4.313 -2.539 1.00 13.40 C ATOM 519 CG1 VAL A 34 -0.494 3.616 -2.258 1.00 35.02 C ATOM 520 CG2 VAL A 34 1.865 3.914 -1.509 1.00 23.21 C ATOM 0 H VAL A 34 2.629 5.631 -3.902 1.00 1.14 H new ATOM 0 HA VAL A 34 1.516 2.920 -4.031 1.00 22.54 H new ATOM 0 HB VAL A 34 0.660 5.388 -2.473 1.00 13.40 H new ATOM 0 HG11 VAL A 34 -0.827 3.861 -1.249 1.00 35.02 H new ATOM 0 HG12 VAL A 34 -1.241 3.949 -2.978 1.00 35.02 H new ATOM 0 HG13 VAL A 34 -0.362 2.537 -2.345 1.00 35.02 H new ATOM 0 HG21 VAL A 34 1.495 4.146 -0.510 1.00 23.21 H new ATOM 0 HG22 VAL A 34 2.060 2.844 -1.584 1.00 23.21 H new ATOM 0 HG23 VAL A 34 2.788 4.464 -1.691 1.00 23.21 H new ATOM 530 N LEU A 35 -0.365 3.389 -5.552 1.00 44.41 N ATOM 531 CA LEU A 35 -1.418 3.615 -6.522 1.00 15.32 C ATOM 532 C LEU A 35 -2.776 3.581 -5.846 1.00 64.55 C ATOM 533 O LEU A 35 -3.087 2.646 -5.103 1.00 50.02 O ATOM 534 CB LEU A 35 -1.373 2.545 -7.611 1.00 12.34 C ATOM 535 CG LEU A 35 -2.320 2.769 -8.784 1.00 5.21 C ATOM 536 CD1 LEU A 35 -1.957 4.045 -9.532 1.00 31.44 C ATOM 537 CD2 LEU A 35 -2.297 1.567 -9.718 1.00 1.35 C ATOM 0 H LEU A 35 -0.171 2.405 -5.364 1.00 44.41 H new ATOM 0 HA LEU A 35 -1.263 4.596 -6.971 1.00 15.32 H new ATOM 0 HB2 LEU A 35 -0.355 2.483 -7.994 1.00 12.34 H new ATOM 0 HB3 LEU A 35 -1.603 1.580 -7.159 1.00 12.34 H new ATOM 0 HG LEU A 35 -3.332 2.883 -8.396 1.00 5.21 H new ATOM 0 HD11 LEU A 35 -2.645 4.186 -10.365 1.00 31.44 H new ATOM 0 HD12 LEU A 35 -2.027 4.896 -8.855 1.00 31.44 H new ATOM 0 HD13 LEU A 35 -0.938 3.967 -9.912 1.00 31.44 H new ATOM 0 HD21 LEU A 35 -2.978 1.741 -10.551 1.00 1.35 H new ATOM 0 HD22 LEU A 35 -1.286 1.422 -10.099 1.00 1.35 H new ATOM 0 HD23 LEU A 35 -2.610 0.677 -9.173 1.00 1.35 H new ATOM 549 N PHE A 36 -3.572 4.603 -6.093 1.00 74.30 N ATOM 550 CA PHE A 36 -4.936 4.629 -5.604 1.00 71.51 C ATOM 551 C PHE A 36 -5.896 4.472 -6.772 1.00 33.30 C ATOM 552 O PHE A 36 -5.711 5.082 -7.827 1.00 63.15 O ATOM 553 CB PHE A 36 -5.227 5.926 -4.851 1.00 20.54 C ATOM 554 CG PHE A 36 -4.299 6.165 -3.693 1.00 12.22 C ATOM 555 CD1 PHE A 36 -4.525 5.552 -2.472 1.00 15.34 C ATOM 556 CD2 PHE A 36 -3.195 6.993 -3.831 1.00 23.11 C ATOM 557 CE1 PHE A 36 -3.668 5.760 -1.409 1.00 44.24 C ATOM 558 CE2 PHE A 36 -2.333 7.203 -2.774 1.00 72.43 C ATOM 559 CZ PHE A 36 -2.571 6.587 -1.561 1.00 71.33 C ATOM 0 H PHE A 36 -3.298 5.426 -6.629 1.00 74.30 H new ATOM 0 HA PHE A 36 -5.071 3.802 -4.907 1.00 71.51 H new ATOM 0 HB2 PHE A 36 -5.154 6.764 -5.544 1.00 20.54 H new ATOM 0 HB3 PHE A 36 -6.254 5.903 -4.486 1.00 20.54 H new ATOM 0 HD1 PHE A 36 -5.381 4.904 -2.350 1.00 15.34 H new ATOM 0 HD2 PHE A 36 -3.008 7.479 -4.777 1.00 23.11 H new ATOM 0 HE1 PHE A 36 -3.855 5.277 -0.461 1.00 44.24 H new ATOM 0 HE2 PHE A 36 -1.475 7.847 -2.895 1.00 72.43 H new ATOM 0 HZ PHE A 36 -1.900 6.752 -0.731 1.00 71.33 H new ATOM 569 N GLU A 37 -6.914 3.657 -6.580 1.00 31.11 N ATOM 570 CA GLU A 37 -7.833 3.318 -7.653 1.00 21.41 C ATOM 571 C GLU A 37 -9.262 3.693 -7.288 1.00 62.31 C ATOM 572 O GLU A 37 -9.828 3.170 -6.323 1.00 70.13 O ATOM 573 CB GLU A 37 -7.740 1.821 -7.973 1.00 11.42 C ATOM 574 CG GLU A 37 -8.715 1.364 -9.041 1.00 54.43 C ATOM 575 CD GLU A 37 -8.514 -0.082 -9.431 1.00 1.11 C ATOM 576 OE1 GLU A 37 -8.930 -0.973 -8.661 1.00 23.41 O ATOM 577 OE2 GLU A 37 -7.936 -0.334 -10.510 1.00 54.34 O ATOM 0 H GLU A 37 -7.128 3.214 -5.686 1.00 31.11 H new ATOM 0 HA GLU A 37 -7.550 3.889 -8.538 1.00 21.41 H new ATOM 0 HB2 GLU A 37 -6.725 1.590 -8.297 1.00 11.42 H new ATOM 0 HB3 GLU A 37 -7.921 1.252 -7.061 1.00 11.42 H new ATOM 0 HG2 GLU A 37 -9.734 1.501 -8.680 1.00 54.43 H new ATOM 0 HG3 GLU A 37 -8.603 1.994 -9.924 1.00 54.43 H new ATOM 584 N ASN A 38 -9.827 4.614 -8.055 1.00 62.15 N ATOM 585 CA ASN A 38 -11.206 5.044 -7.858 1.00 40.53 C ATOM 586 C ASN A 38 -12.083 4.555 -9.009 1.00 13.14 C ATOM 587 O ASN A 38 -13.310 4.609 -8.944 1.00 14.35 O ATOM 588 CB ASN A 38 -11.263 6.574 -7.732 1.00 32.25 C ATOM 589 CG ASN A 38 -12.673 7.115 -7.554 1.00 30.54 C ATOM 590 OD1 ASN A 38 -13.237 7.064 -6.461 1.00 64.24 O ATOM 591 ND2 ASN A 38 -13.235 7.675 -8.616 1.00 70.22 N ATOM 0 H ASN A 38 -9.349 5.081 -8.825 1.00 62.15 H new ATOM 0 HA ASN A 38 -11.589 4.608 -6.935 1.00 40.53 H new ATOM 0 HB2 ASN A 38 -10.653 6.884 -6.883 1.00 32.25 H new ATOM 0 HB3 ASN A 38 -10.820 7.021 -8.622 1.00 32.25 H new ATOM 0 HD21 ASN A 38 -14.167 8.083 -8.544 1.00 70.22 H new ATOM 0 HD22 ASN A 38 -12.735 7.698 -9.505 1.00 70.22 H new ATOM 598 N GLY A 39 -11.446 4.052 -10.056 1.00 53.50 N ATOM 599 CA GLY A 39 -12.176 3.572 -11.210 1.00 10.31 C ATOM 600 C GLY A 39 -11.929 4.439 -12.423 1.00 52.54 C ATOM 601 O GLY A 39 -11.236 4.033 -13.353 1.00 2.34 O ATOM 0 H GLY A 39 -10.432 3.968 -10.126 1.00 53.50 H new ATOM 0 HA2 GLY A 39 -11.879 2.546 -11.428 1.00 10.31 H new ATOM 0 HA3 GLY A 39 -13.242 3.554 -10.985 1.00 10.31 H new ATOM 605 N ASN A 40 -12.489 5.640 -12.410 1.00 10.31 N ATOM 606 CA ASN A 40 -12.276 6.595 -13.493 1.00 42.10 C ATOM 607 C ASN A 40 -11.060 7.463 -13.189 1.00 54.00 C ATOM 608 O ASN A 40 -10.467 8.077 -14.077 1.00 23.15 O ATOM 609 CB ASN A 40 -13.522 7.463 -13.675 1.00 52.43 C ATOM 610 CG ASN A 40 -13.449 8.363 -14.897 1.00 21.12 C ATOM 611 OD1 ASN A 40 -13.031 9.520 -14.813 1.00 72.45 O ATOM 612 ND2 ASN A 40 -13.853 7.837 -16.043 1.00 51.42 N ATOM 0 H ASN A 40 -13.095 5.978 -11.662 1.00 10.31 H new ATOM 0 HA ASN A 40 -12.092 6.051 -14.420 1.00 42.10 H new ATOM 0 HB2 ASN A 40 -14.397 6.819 -13.758 1.00 52.43 H new ATOM 0 HB3 ASN A 40 -13.662 8.078 -12.786 1.00 52.43 H new ATOM 0 HD21 ASN A 40 -13.825 8.393 -16.897 1.00 51.42 H new ATOM 0 HD22 ASN A 40 -14.192 6.876 -16.071 1.00 51.42 H new ATOM 619 N TRP A 41 -10.686 7.486 -11.920 1.00 52.20 N ATOM 620 CA TRP A 41 -9.564 8.291 -11.454 1.00 33.24 C ATOM 621 C TRP A 41 -8.420 7.411 -10.986 1.00 55.24 C ATOM 622 O TRP A 41 -8.623 6.429 -10.269 1.00 65.44 O ATOM 623 CB TRP A 41 -10.023 9.221 -10.331 1.00 32.23 C ATOM 624 CG TRP A 41 -8.925 9.963 -9.626 1.00 20.24 C ATOM 625 CD1 TRP A 41 -8.370 11.151 -10.002 1.00 12.50 C ATOM 626 CD2 TRP A 41 -8.271 9.582 -8.410 1.00 0.13 C ATOM 627 NE1 TRP A 41 -7.407 11.529 -9.099 1.00 5.22 N ATOM 628 CE2 TRP A 41 -7.326 10.582 -8.114 1.00 44.00 C ATOM 629 CE3 TRP A 41 -8.387 8.490 -7.546 1.00 30.02 C ATOM 630 CZ2 TRP A 41 -6.511 10.523 -6.987 1.00 60.40 C ATOM 631 CZ3 TRP A 41 -7.575 8.434 -6.430 1.00 23.31 C ATOM 632 CH2 TRP A 41 -6.648 9.445 -6.160 1.00 64.11 C ATOM 0 H TRP A 41 -11.148 6.950 -11.185 1.00 52.20 H new ATOM 0 HA TRP A 41 -9.200 8.894 -12.286 1.00 33.24 H new ATOM 0 HB2 TRP A 41 -10.722 9.947 -10.745 1.00 32.23 H new ATOM 0 HB3 TRP A 41 -10.572 8.633 -9.596 1.00 32.23 H new ATOM 0 HD1 TRP A 41 -8.648 11.713 -10.882 1.00 12.50 H new ATOM 0 HE1 TRP A 41 -6.844 12.378 -9.153 1.00 5.22 H new ATOM 0 HE3 TRP A 41 -9.099 7.703 -7.747 1.00 30.02 H new ATOM 0 HZ2 TRP A 41 -5.795 11.303 -6.774 1.00 60.40 H new ATOM 0 HZ3 TRP A 41 -7.658 7.595 -5.755 1.00 23.31 H new ATOM 0 HH2 TRP A 41 -6.027 9.372 -5.279 1.00 64.11 H new ATOM 643 N ASP A 42 -7.223 7.781 -11.404 1.00 53.13 N ATOM 644 CA ASP A 42 -6.005 7.067 -11.033 1.00 14.02 C ATOM 645 C ASP A 42 -4.944 8.068 -10.624 1.00 14.11 C ATOM 646 O ASP A 42 -4.919 9.194 -11.129 1.00 71.25 O ATOM 647 CB ASP A 42 -5.461 6.216 -12.190 1.00 12.44 C ATOM 648 CG ASP A 42 -6.369 5.069 -12.584 1.00 54.21 C ATOM 649 OD1 ASP A 42 -7.233 5.268 -13.465 1.00 55.03 O ATOM 650 OD2 ASP A 42 -6.216 3.957 -12.032 1.00 3.40 O ATOM 0 H ASP A 42 -7.063 8.585 -12.011 1.00 53.13 H new ATOM 0 HA ASP A 42 -6.252 6.400 -10.207 1.00 14.02 H new ATOM 0 HB2 ASP A 42 -5.303 6.857 -13.057 1.00 12.44 H new ATOM 0 HB3 ASP A 42 -4.487 5.816 -11.908 1.00 12.44 H new ATOM 655 N LYS A 43 -4.075 7.670 -9.712 1.00 21.32 N ATOM 656 CA LYS A 43 -3.006 8.543 -9.258 1.00 75.02 C ATOM 657 C LYS A 43 -1.947 7.755 -8.503 1.00 44.44 C ATOM 658 O LYS A 43 -2.235 7.118 -7.487 1.00 71.22 O ATOM 659 CB LYS A 43 -3.569 9.652 -8.366 1.00 1.43 C ATOM 660 CG LYS A 43 -2.543 10.689 -7.939 1.00 20.31 C ATOM 661 CD LYS A 43 -3.172 11.748 -7.049 1.00 41.11 C ATOM 662 CE LYS A 43 -2.140 12.728 -6.518 1.00 2.24 C ATOM 663 NZ LYS A 43 -2.749 13.714 -5.590 1.00 42.21 N ATOM 0 H LYS A 43 -4.088 6.750 -9.272 1.00 21.32 H new ATOM 0 HA LYS A 43 -2.541 8.994 -10.134 1.00 75.02 H new ATOM 0 HB2 LYS A 43 -4.378 10.154 -8.897 1.00 1.43 H new ATOM 0 HB3 LYS A 43 -4.005 9.200 -7.475 1.00 1.43 H new ATOM 0 HG2 LYS A 43 -1.727 10.200 -7.407 1.00 20.31 H new ATOM 0 HG3 LYS A 43 -2.110 11.161 -8.821 1.00 20.31 H new ATOM 0 HD2 LYS A 43 -3.932 12.290 -7.612 1.00 41.11 H new ATOM 0 HD3 LYS A 43 -3.678 11.266 -6.213 1.00 41.11 H new ATOM 0 HE2 LYS A 43 -1.350 12.182 -6.002 1.00 2.24 H new ATOM 0 HE3 LYS A 43 -1.673 13.252 -7.352 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 -2.022 14.074 -4.940 1.00 42.21 H new ATOM 0 HZ2 LYS A 43 -3.148 14.504 -6.136 1.00 42.21 H new ATOM 0 HZ3 LYS A 43 -3.505 13.255 -5.043 1.00 42.21 H new ATOM 677 N LEU A 44 -0.733 7.780 -9.026 1.00 34.31 N ATOM 678 CA LEU A 44 0.404 7.166 -8.364 1.00 41.14 C ATOM 679 C LEU A 44 1.114 8.205 -7.498 1.00 51.45 C ATOM 680 O LEU A 44 1.757 9.123 -8.011 1.00 22.23 O ATOM 681 CB LEU A 44 1.367 6.588 -9.405 1.00 15.33 C ATOM 682 CG LEU A 44 2.534 5.781 -8.837 1.00 42.30 C ATOM 683 CD1 LEU A 44 2.025 4.528 -8.141 1.00 1.14 C ATOM 684 CD2 LEU A 44 3.515 5.415 -9.940 1.00 13.55 C ATOM 0 H LEU A 44 -0.509 8.224 -9.917 1.00 34.31 H new ATOM 0 HA LEU A 44 0.056 6.353 -7.727 1.00 41.14 H new ATOM 0 HB2 LEU A 44 0.802 5.950 -10.084 1.00 15.33 H new ATOM 0 HB3 LEU A 44 1.769 7.409 -9.999 1.00 15.33 H new ATOM 0 HG LEU A 44 3.054 6.397 -8.103 1.00 42.30 H new ATOM 0 HD11 LEU A 44 2.869 3.965 -7.742 1.00 1.14 H new ATOM 0 HD12 LEU A 44 1.359 4.810 -7.325 1.00 1.14 H new ATOM 0 HD13 LEU A 44 1.482 3.910 -8.856 1.00 1.14 H new ATOM 0 HD21 LEU A 44 4.340 4.841 -9.518 1.00 13.55 H new ATOM 0 HD22 LEU A 44 3.006 4.817 -10.696 1.00 13.55 H new ATOM 0 HD23 LEU A 44 3.904 6.325 -10.398 1.00 13.55 H new ATOM 696 N VAL A 45 0.980 8.071 -6.189 1.00 11.21 N ATOM 697 CA VAL A 45 1.557 9.038 -5.269 1.00 33.43 C ATOM 698 C VAL A 45 2.749 8.440 -4.535 1.00 44.20 C ATOM 699 O VAL A 45 2.645 7.376 -3.926 1.00 21.14 O ATOM 700 CB VAL A 45 0.528 9.526 -4.229 1.00 15.35 C ATOM 701 CG1 VAL A 45 1.058 10.742 -3.481 1.00 21.32 C ATOM 702 CG2 VAL A 45 -0.808 9.834 -4.885 1.00 30.01 C ATOM 0 H VAL A 45 0.478 7.305 -5.740 1.00 11.21 H new ATOM 0 HA VAL A 45 1.879 9.888 -5.870 1.00 33.43 H new ATOM 0 HB VAL A 45 0.368 8.724 -3.509 1.00 15.35 H new ATOM 0 HG11 VAL A 45 0.318 11.072 -2.752 1.00 21.32 H new ATOM 0 HG12 VAL A 45 1.982 10.478 -2.967 1.00 21.32 H new ATOM 0 HG13 VAL A 45 1.254 11.548 -4.189 1.00 21.32 H new ATOM 0 HG21 VAL A 45 -1.514 10.176 -4.129 1.00 30.01 H new ATOM 0 HG22 VAL A 45 -0.674 10.613 -5.635 1.00 30.01 H new ATOM 0 HG23 VAL A 45 -1.195 8.934 -5.362 1.00 30.01 H new ATOM 712 N THR A 46 3.884 9.112 -4.610 1.00 62.44 N ATOM 713 CA THR A 46 5.071 8.666 -3.911 1.00 32.44 C ATOM 714 C THR A 46 5.072 9.174 -2.473 1.00 32.22 C ATOM 715 O THR A 46 4.846 10.359 -2.209 1.00 72.13 O ATOM 716 CB THR A 46 6.345 9.148 -4.615 1.00 54.23 C ATOM 717 OG1 THR A 46 6.177 9.055 -6.034 1.00 31.51 O ATOM 718 CG2 THR A 46 7.548 8.313 -4.193 1.00 63.41 C ATOM 0 H THR A 46 4.007 9.969 -5.149 1.00 62.44 H new ATOM 0 HA THR A 46 5.058 7.576 -3.912 1.00 32.44 H new ATOM 0 HB THR A 46 6.523 10.185 -4.330 1.00 54.23 H new ATOM 0 HG1 THR A 46 6.992 9.365 -6.481 1.00 31.51 H new ATOM 0 HG21 THR A 46 8.439 8.674 -4.706 1.00 63.41 H new ATOM 0 HG22 THR A 46 7.690 8.398 -3.116 1.00 63.41 H new ATOM 0 HG23 THR A 46 7.376 7.269 -4.455 1.00 63.41 H new ATOM 726 N PHE A 47 5.318 8.264 -1.557 1.00 3.30 N ATOM 727 CA PHE A 47 5.408 8.571 -0.139 1.00 23.20 C ATOM 728 C PHE A 47 6.741 8.063 0.390 1.00 50.51 C ATOM 729 O PHE A 47 7.651 7.766 -0.387 1.00 5.13 O ATOM 730 CB PHE A 47 4.268 7.899 0.640 1.00 3.13 C ATOM 731 CG PHE A 47 2.889 8.296 0.200 1.00 64.03 C ATOM 732 CD1 PHE A 47 2.367 9.536 0.532 1.00 23.24 C ATOM 733 CD2 PHE A 47 2.106 7.418 -0.534 1.00 23.54 C ATOM 734 CE1 PHE A 47 1.092 9.891 0.138 1.00 22.23 C ATOM 735 CE2 PHE A 47 0.834 7.770 -0.929 1.00 32.21 C ATOM 736 CZ PHE A 47 0.325 9.008 -0.593 1.00 55.24 C ATOM 0 H PHE A 47 5.463 7.278 -1.774 1.00 3.30 H new ATOM 0 HA PHE A 47 5.329 9.650 -0.007 1.00 23.20 H new ATOM 0 HB2 PHE A 47 4.368 6.818 0.544 1.00 3.13 H new ATOM 0 HB3 PHE A 47 4.380 8.137 1.698 1.00 3.13 H new ATOM 0 HD1 PHE A 47 2.963 10.231 1.104 1.00 23.24 H new ATOM 0 HD2 PHE A 47 2.498 6.447 -0.799 1.00 23.54 H new ATOM 0 HE1 PHE A 47 0.695 10.860 0.402 1.00 22.23 H new ATOM 0 HE2 PHE A 47 0.235 7.077 -1.502 1.00 32.21 H new ATOM 0 HZ PHE A 47 -0.672 9.285 -0.902 1.00 55.24 H new ATOM 746 N ARG A 48 6.864 7.971 1.701 1.00 1.11 N ATOM 747 CA ARG A 48 8.015 7.338 2.311 1.00 33.42 C ATOM 748 C ARG A 48 7.607 5.981 2.866 1.00 70.53 C ATOM 749 O ARG A 48 6.421 5.721 3.066 1.00 42.42 O ATOM 750 CB ARG A 48 8.596 8.214 3.422 1.00 4.02 C ATOM 751 CG ARG A 48 9.161 9.534 2.925 1.00 14.53 C ATOM 752 CD ARG A 48 9.722 10.370 4.061 1.00 24.21 C ATOM 753 NE ARG A 48 8.691 10.765 5.020 1.00 52.34 N ATOM 754 CZ ARG A 48 8.950 11.219 6.245 1.00 15.51 C ATOM 755 NH1 ARG A 48 10.205 11.371 6.656 1.00 34.31 N ATOM 756 NH2 ARG A 48 7.952 11.543 7.052 1.00 14.40 N ATOM 0 H ARG A 48 6.177 8.329 2.365 1.00 1.11 H new ATOM 0 HA ARG A 48 8.787 7.204 1.553 1.00 33.42 H new ATOM 0 HB2 ARG A 48 7.818 8.416 4.158 1.00 4.02 H new ATOM 0 HB3 ARG A 48 9.384 7.661 3.934 1.00 4.02 H new ATOM 0 HG2 ARG A 48 9.946 9.341 2.194 1.00 14.53 H new ATOM 0 HG3 ARG A 48 8.379 10.094 2.413 1.00 14.53 H new ATOM 0 HD2 ARG A 48 10.498 9.804 4.577 1.00 24.21 H new ATOM 0 HD3 ARG A 48 10.197 11.262 3.653 1.00 24.21 H new ATOM 0 HE ARG A 48 7.715 10.688 4.734 1.00 52.34 H new ATOM 0 HH11 ARG A 48 10.978 11.139 6.032 1.00 34.31 H new ATOM 0 HH12 ARG A 48 10.395 11.719 7.596 1.00 34.31 H new ATOM 0 HH21 ARG A 48 6.987 11.445 6.735 1.00 14.40 H new ATOM 0 HH22 ARG A 48 8.148 11.891 7.991 1.00 14.40 H new ATOM 770 N LEU A 49 8.582 5.135 3.131 1.00 52.03 N ATOM 771 CA LEU A 49 8.321 3.791 3.636 1.00 22.45 C ATOM 772 C LEU A 49 7.888 3.859 5.087 1.00 20.15 C ATOM 773 O LEU A 49 7.192 2.976 5.584 1.00 34.35 O ATOM 774 CB LEU A 49 9.564 2.905 3.499 1.00 74.33 C ATOM 775 CG LEU A 49 9.950 2.537 2.065 1.00 73.53 C ATOM 776 CD1 LEU A 49 11.237 1.730 2.050 1.00 33.11 C ATOM 777 CD2 LEU A 49 8.833 1.752 1.396 1.00 42.42 C ATOM 0 H LEU A 49 9.571 5.351 3.006 1.00 52.03 H new ATOM 0 HA LEU A 49 7.520 3.350 3.043 1.00 22.45 H new ATOM 0 HB2 LEU A 49 10.407 3.415 3.965 1.00 74.33 H new ATOM 0 HB3 LEU A 49 9.398 1.986 4.060 1.00 74.33 H new ATOM 0 HG LEU A 49 10.110 3.460 1.508 1.00 73.53 H new ATOM 0 HD11 LEU A 49 11.496 1.477 1.022 1.00 33.11 H new ATOM 0 HD12 LEU A 49 12.041 2.319 2.492 1.00 33.11 H new ATOM 0 HD13 LEU A 49 11.099 0.814 2.625 1.00 33.11 H new ATOM 0 HD21 LEU A 49 9.126 1.499 0.377 1.00 42.42 H new ATOM 0 HD22 LEU A 49 8.645 0.837 1.957 1.00 42.42 H new ATOM 0 HD23 LEU A 49 7.926 2.357 1.374 1.00 42.42 H new ATOM 789 N SER A 50 8.301 4.920 5.759 1.00 53.31 N ATOM 790 CA SER A 50 7.898 5.159 7.131 1.00 44.32 C ATOM 791 C SER A 50 6.524 5.817 7.175 1.00 61.43 C ATOM 792 O SER A 50 5.921 5.953 8.239 1.00 33.52 O ATOM 793 CB SER A 50 8.935 6.038 7.831 1.00 12.11 C ATOM 794 OG SER A 50 9.272 7.162 7.033 1.00 1.42 O ATOM 0 H SER A 50 8.919 5.633 5.372 1.00 53.31 H new ATOM 0 HA SER A 50 7.836 4.204 7.653 1.00 44.32 H new ATOM 0 HB2 SER A 50 8.543 6.374 8.791 1.00 12.11 H new ATOM 0 HB3 SER A 50 9.831 5.454 8.039 1.00 12.11 H new ATOM 0 HG SER A 50 9.935 7.710 7.503 1.00 1.42 H new ATOM 800 N GLU A 51 6.030 6.225 6.009 1.00 20.43 N ATOM 801 CA GLU A 51 4.709 6.849 5.927 1.00 50.32 C ATOM 802 C GLU A 51 3.622 5.799 5.745 1.00 3.25 C ATOM 803 O GLU A 51 2.430 6.080 5.889 1.00 0.13 O ATOM 804 CB GLU A 51 4.650 7.842 4.765 1.00 33.32 C ATOM 805 CG GLU A 51 5.644 8.985 4.877 1.00 21.51 C ATOM 806 CD GLU A 51 5.332 9.944 6.006 1.00 24.43 C ATOM 807 OE1 GLU A 51 4.858 9.495 7.068 1.00 25.35 O ATOM 808 OE2 GLU A 51 5.598 11.150 5.845 1.00 71.34 O ATOM 0 H GLU A 51 6.516 6.137 5.117 1.00 20.43 H new ATOM 0 HA GLU A 51 4.538 7.380 6.863 1.00 50.32 H new ATOM 0 HB2 GLU A 51 4.832 7.306 3.833 1.00 33.32 H new ATOM 0 HB3 GLU A 51 3.643 8.255 4.704 1.00 33.32 H new ATOM 0 HG2 GLU A 51 6.643 8.575 5.024 1.00 21.51 H new ATOM 0 HG3 GLU A 51 5.661 9.536 3.936 1.00 21.51 H new ATOM 815 N LEU A 52 4.045 4.588 5.428 1.00 1.33 N ATOM 816 CA LEU A 52 3.129 3.518 5.096 1.00 54.53 C ATOM 817 C LEU A 52 3.399 2.294 5.953 1.00 34.13 C ATOM 818 O LEU A 52 4.416 2.217 6.639 1.00 35.31 O ATOM 819 CB LEU A 52 3.319 3.147 3.630 1.00 12.43 C ATOM 820 CG LEU A 52 3.155 4.299 2.640 1.00 41.42 C ATOM 821 CD1 LEU A 52 3.730 3.915 1.288 1.00 1.31 C ATOM 822 CD2 LEU A 52 1.690 4.685 2.505 1.00 14.01 C ATOM 0 H LEU A 52 5.029 4.322 5.394 1.00 1.33 H new ATOM 0 HA LEU A 52 2.109 3.856 5.279 1.00 54.53 H new ATOM 0 HB2 LEU A 52 4.315 2.722 3.506 1.00 12.43 H new ATOM 0 HB3 LEU A 52 2.604 2.365 3.374 1.00 12.43 H new ATOM 0 HG LEU A 52 3.702 5.162 3.019 1.00 41.42 H new ATOM 0 HD11 LEU A 52 3.607 4.744 0.591 1.00 1.31 H new ATOM 0 HD12 LEU A 52 4.790 3.686 1.395 1.00 1.31 H new ATOM 0 HD13 LEU A 52 3.206 3.039 0.905 1.00 1.31 H new ATOM 0 HD21 LEU A 52 1.594 5.507 1.796 1.00 14.01 H new ATOM 0 HD22 LEU A 52 1.119 3.828 2.147 1.00 14.01 H new ATOM 0 HD23 LEU A 52 1.305 4.997 3.476 1.00 14.01 H new ATOM 834 N GLU A 53 2.469 1.357 5.924 1.00 3.33 N ATOM 835 CA GLU A 53 2.686 0.031 6.473 1.00 64.33 C ATOM 836 C GLU A 53 1.826 -0.966 5.713 1.00 45.35 C ATOM 837 O GLU A 53 0.764 -0.611 5.198 1.00 23.31 O ATOM 838 CB GLU A 53 2.429 -0.010 7.993 1.00 13.33 C ATOM 839 CG GLU A 53 1.174 0.717 8.464 1.00 54.32 C ATOM 840 CD GLU A 53 -0.078 -0.132 8.407 1.00 41.53 C ATOM 841 OE1 GLU A 53 -0.210 -1.064 9.230 1.00 71.30 O ATOM 842 OE2 GLU A 53 -0.945 0.142 7.561 1.00 33.54 O ATOM 0 H GLU A 53 1.543 1.494 5.520 1.00 3.33 H new ATOM 0 HA GLU A 53 3.733 -0.243 6.345 1.00 64.33 H new ATOM 0 HB2 GLU A 53 2.363 -1.052 8.305 1.00 13.33 H new ATOM 0 HB3 GLU A 53 3.291 0.422 8.502 1.00 13.33 H new ATOM 0 HG2 GLU A 53 1.325 1.058 9.488 1.00 54.32 H new ATOM 0 HG3 GLU A 53 1.028 1.606 7.850 1.00 54.32 H new ATOM 849 N ALA A 54 2.303 -2.193 5.596 1.00 3.55 N ATOM 850 CA ALA A 54 1.618 -3.192 4.801 1.00 54.41 C ATOM 851 C ALA A 54 0.480 -3.813 5.588 1.00 25.01 C ATOM 852 O ALA A 54 0.601 -4.044 6.794 1.00 1.35 O ATOM 853 CB ALA A 54 2.596 -4.261 4.341 1.00 55.44 C ATOM 0 H ALA A 54 3.161 -2.519 6.041 1.00 3.55 H new ATOM 0 HA ALA A 54 1.197 -2.705 3.921 1.00 54.41 H new ATOM 0 HB1 ALA A 54 2.068 -5.005 3.745 1.00 55.44 H new ATOM 0 HB2 ALA A 54 3.379 -3.802 3.738 1.00 55.44 H new ATOM 0 HB3 ALA A 54 3.043 -4.743 5.210 1.00 55.44 H new ATOM 859 N VAL A 55 -0.626 -4.071 4.911 1.00 74.01 N ATOM 860 CA VAL A 55 -1.759 -4.718 5.545 1.00 61.15 C ATOM 861 C VAL A 55 -1.427 -6.190 5.759 1.00 12.52 C ATOM 862 O VAL A 55 -0.422 -6.689 5.247 1.00 0.41 O ATOM 863 CB VAL A 55 -3.046 -4.592 4.698 1.00 31.03 C ATOM 864 CG1 VAL A 55 -4.290 -4.769 5.559 1.00 53.41 C ATOM 865 CG2 VAL A 55 -3.088 -3.260 3.962 1.00 72.03 C ATOM 0 H VAL A 55 -0.762 -3.843 3.926 1.00 74.01 H new ATOM 0 HA VAL A 55 -1.947 -4.223 6.498 1.00 61.15 H new ATOM 0 HB VAL A 55 -3.032 -5.390 3.956 1.00 31.03 H new ATOM 0 HG11 VAL A 55 -5.180 -4.675 4.936 1.00 53.41 H new ATOM 0 HG12 VAL A 55 -4.274 -5.755 6.023 1.00 53.41 H new ATOM 0 HG13 VAL A 55 -4.308 -4.003 6.335 1.00 53.41 H new ATOM 0 HG21 VAL A 55 -4.004 -3.198 3.374 1.00 72.03 H new ATOM 0 HG22 VAL A 55 -3.065 -2.444 4.685 1.00 72.03 H new ATOM 0 HG23 VAL A 55 -2.226 -3.183 3.300 1.00 72.03 H new