USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.839 (180deg=-0.897) USER MOD Single : A 2 LYS NZ :NH3+ -140:sc= -0.157 (180deg=-3.39!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 124:sc= 0.00202 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.148 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -42:sc= 0.628 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00116 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 33 ASN : amide:sc=-0.00871 X(o=-0.0087,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.867 X(o=-0.87,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 73:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.740 0.630 -1.231 1.00 2.41 N ATOM 2 CA MET A 1 3.813 0.765 -2.210 1.00 34.41 C ATOM 3 C MET A 1 4.836 -0.356 -2.052 1.00 40.52 C ATOM 4 O MET A 1 6.027 -0.161 -2.295 1.00 3.10 O ATOM 5 CB MET A 1 4.500 2.124 -2.062 1.00 72.53 C ATOM 6 CG MET A 1 3.546 3.302 -2.173 1.00 61.04 C ATOM 7 SD MET A 1 2.903 3.520 -3.844 1.00 3.11 S ATOM 8 CE MET A 1 1.175 3.844 -3.502 1.00 2.40 C ATOM 0 H1 MET A 1 2.005 1.341 -1.421 1.00 2.41 H new ATOM 0 H2 MET A 1 2.327 -0.322 -1.298 1.00 2.41 H new ATOM 0 H3 MET A 1 3.122 0.775 -0.275 1.00 2.41 H new ATOM 0 HA MET A 1 3.374 0.695 -3.205 1.00 34.41 H new ATOM 0 HB2 MET A 1 5.003 2.164 -1.096 1.00 72.53 H new ATOM 0 HB3 MET A 1 5.271 2.218 -2.827 1.00 72.53 H new ATOM 0 HG2 MET A 1 2.714 3.157 -1.484 1.00 61.04 H new ATOM 0 HG3 MET A 1 4.061 4.212 -1.864 1.00 61.04 H new ATOM 0 HE1 MET A 1 0.642 4.001 -4.440 1.00 2.40 H new ATOM 0 HE2 MET A 1 0.742 2.993 -2.976 1.00 2.40 H new ATOM 0 HE3 MET A 1 1.088 4.736 -2.882 1.00 2.40 H new ATOM 18 N LYS A 2 4.364 -1.529 -1.644 1.00 3.41 N ATOM 19 CA LYS A 2 5.237 -2.681 -1.454 1.00 44.15 C ATOM 20 C LYS A 2 5.546 -3.355 -2.788 1.00 1.34 C ATOM 21 O LYS A 2 4.747 -3.300 -3.723 1.00 41.52 O ATOM 22 CB LYS A 2 4.589 -3.687 -0.501 1.00 10.34 C ATOM 23 CG LYS A 2 3.356 -4.363 -1.075 1.00 42.55 C ATOM 24 CD LYS A 2 3.669 -5.764 -1.573 1.00 43.55 C ATOM 25 CE LYS A 2 2.447 -6.666 -1.502 1.00 64.53 C ATOM 26 NZ LYS A 2 2.823 -8.107 -1.476 1.00 62.24 N ATOM 0 H LYS A 2 3.381 -1.707 -1.438 1.00 3.41 H new ATOM 0 HA LYS A 2 6.172 -2.329 -1.019 1.00 44.15 H new ATOM 0 HB2 LYS A 2 5.322 -4.450 -0.238 1.00 10.34 H new ATOM 0 HB3 LYS A 2 4.316 -3.176 0.422 1.00 10.34 H new ATOM 0 HG2 LYS A 2 2.579 -4.412 -0.312 1.00 42.55 H new ATOM 0 HG3 LYS A 2 2.960 -3.764 -1.895 1.00 42.55 H new ATOM 0 HD2 LYS A 2 4.027 -5.714 -2.601 1.00 43.55 H new ATOM 0 HD3 LYS A 2 4.474 -6.192 -0.976 1.00 43.55 H new ATOM 0 HE2 LYS A 2 1.869 -6.425 -0.610 1.00 64.53 H new ATOM 0 HE3 LYS A 2 1.803 -6.474 -2.360 1.00 64.53 H new ATOM 0 HZ1 LYS A 2 2.161 -8.649 -2.067 1.00 62.24 H new ATOM 0 HZ2 LYS A 2 3.789 -8.220 -1.845 1.00 62.24 H new ATOM 0 HZ3 LYS A 2 2.782 -8.459 -0.498 1.00 62.24 H new ATOM 40 N THR A 3 6.710 -3.993 -2.868 1.00 12.50 N ATOM 41 CA THR A 3 7.124 -4.677 -4.086 1.00 74.31 C ATOM 42 C THR A 3 7.838 -5.985 -3.766 1.00 33.40 C ATOM 43 O THR A 3 8.422 -6.139 -2.693 1.00 71.11 O ATOM 44 CB THR A 3 8.053 -3.794 -4.939 1.00 41.43 C ATOM 45 OG1 THR A 3 8.493 -4.517 -6.094 1.00 22.31 O ATOM 46 CG2 THR A 3 9.258 -3.337 -4.131 1.00 21.32 C ATOM 0 H THR A 3 7.382 -4.050 -2.103 1.00 12.50 H new ATOM 0 HA THR A 3 6.217 -4.890 -4.652 1.00 74.31 H new ATOM 0 HB THR A 3 7.492 -2.914 -5.254 1.00 41.43 H new ATOM 0 HG1 THR A 3 9.082 -3.947 -6.632 1.00 22.31 H new ATOM 0 HG21 THR A 3 9.900 -2.715 -4.755 1.00 21.32 H new ATOM 0 HG22 THR A 3 8.921 -2.761 -3.269 1.00 21.32 H new ATOM 0 HG23 THR A 3 9.818 -4.207 -3.789 1.00 21.32 H new ATOM 54 N PHE A 4 7.788 -6.926 -4.703 1.00 71.13 N ATOM 55 CA PHE A 4 8.430 -8.222 -4.520 1.00 64.44 C ATOM 56 C PHE A 4 9.940 -8.113 -4.711 1.00 4.44 C ATOM 57 O PHE A 4 10.416 -7.732 -5.780 1.00 10.43 O ATOM 58 CB PHE A 4 7.854 -9.244 -5.503 1.00 23.11 C ATOM 59 CG PHE A 4 6.355 -9.215 -5.587 1.00 71.41 C ATOM 60 CD1 PHE A 4 5.582 -9.308 -4.441 1.00 74.51 C ATOM 61 CD2 PHE A 4 5.719 -9.095 -6.812 1.00 12.30 C ATOM 62 CE1 PHE A 4 4.202 -9.283 -4.516 1.00 32.00 C ATOM 63 CE2 PHE A 4 4.339 -9.068 -6.893 1.00 62.31 C ATOM 64 CZ PHE A 4 3.580 -9.162 -5.743 1.00 52.52 C ATOM 0 H PHE A 4 7.309 -6.815 -5.597 1.00 71.13 H new ATOM 0 HA PHE A 4 8.233 -8.556 -3.501 1.00 64.44 H new ATOM 0 HB2 PHE A 4 8.269 -9.058 -6.493 1.00 23.11 H new ATOM 0 HB3 PHE A 4 8.174 -10.243 -5.206 1.00 23.11 H new ATOM 0 HD1 PHE A 4 6.063 -9.401 -3.478 1.00 74.51 H new ATOM 0 HD2 PHE A 4 6.308 -9.022 -7.714 1.00 12.30 H new ATOM 0 HE1 PHE A 4 3.611 -9.358 -3.615 1.00 32.00 H new ATOM 0 HE2 PHE A 4 3.855 -8.974 -7.854 1.00 62.31 H new ATOM 0 HZ PHE A 4 2.502 -9.141 -5.803 1.00 52.52 H new ATOM 74 N ALA A 5 10.688 -8.449 -3.665 1.00 5.22 N ATOM 75 CA ALA A 5 12.144 -8.390 -3.716 1.00 50.22 C ATOM 76 C ALA A 5 12.708 -9.503 -4.592 1.00 61.40 C ATOM 77 O ALA A 5 12.093 -10.559 -4.745 1.00 34.45 O ATOM 78 CB ALA A 5 12.725 -8.474 -2.313 1.00 4.23 C ATOM 0 H ALA A 5 10.310 -8.765 -2.772 1.00 5.22 H new ATOM 0 HA ALA A 5 12.429 -7.436 -4.159 1.00 50.22 H new ATOM 0 HB1 ALA A 5 13.813 -8.429 -2.366 1.00 4.23 H new ATOM 0 HB2 ALA A 5 12.356 -7.640 -1.716 1.00 4.23 H new ATOM 0 HB3 ALA A 5 12.423 -9.413 -1.850 1.00 4.23 H new ATOM 84 N LEU A 6 13.881 -9.261 -5.166 1.00 62.12 N ATOM 85 CA LEU A 6 14.529 -10.244 -6.028 1.00 54.13 C ATOM 86 C LEU A 6 16.047 -10.133 -5.936 1.00 21.23 C ATOM 87 O LEU A 6 16.574 -9.330 -5.166 1.00 71.23 O ATOM 88 CB LEU A 6 14.079 -10.054 -7.478 1.00 64.22 C ATOM 89 CG LEU A 6 12.569 -10.050 -7.718 1.00 23.20 C ATOM 90 CD1 LEU A 6 12.252 -9.548 -9.118 1.00 5.20 C ATOM 91 CD2 LEU A 6 11.992 -11.442 -7.505 1.00 71.04 C ATOM 0 H LEU A 6 14.403 -8.393 -5.050 1.00 62.12 H new ATOM 0 HA LEU A 6 14.235 -11.238 -5.690 1.00 54.13 H new ATOM 0 HB2 LEU A 6 14.487 -9.112 -7.843 1.00 64.22 H new ATOM 0 HB3 LEU A 6 14.520 -10.848 -8.081 1.00 64.22 H new ATOM 0 HG LEU A 6 12.108 -9.373 -6.999 1.00 23.20 H new ATOM 0 HD11 LEU A 6 11.173 -9.552 -9.270 1.00 5.20 H new ATOM 0 HD12 LEU A 6 12.631 -8.533 -9.235 1.00 5.20 H new ATOM 0 HD13 LEU A 6 12.725 -10.199 -9.854 1.00 5.20 H new ATOM 0 HD21 LEU A 6 10.916 -11.421 -7.680 1.00 71.04 H new ATOM 0 HD22 LEU A 6 12.459 -12.140 -8.200 1.00 71.04 H new ATOM 0 HD23 LEU A 6 12.187 -11.764 -6.482 1.00 71.04 H new ATOM 103 N GLN A 7 16.744 -10.943 -6.726 1.00 74.42 N ATOM 104 CA GLN A 7 18.202 -10.935 -6.734 1.00 13.32 C ATOM 105 C GLN A 7 18.737 -9.520 -6.931 1.00 34.14 C ATOM 106 O GLN A 7 18.411 -8.854 -7.912 1.00 42.51 O ATOM 107 CB GLN A 7 18.732 -11.851 -7.837 1.00 64.54 C ATOM 108 CG GLN A 7 20.100 -12.441 -7.533 1.00 43.33 C ATOM 109 CD GLN A 7 20.842 -12.870 -8.784 1.00 0.31 C ATOM 110 OE1 GLN A 7 20.446 -13.821 -9.459 1.00 3.51 O ATOM 111 NE2 GLN A 7 21.925 -12.169 -9.100 1.00 52.01 N ATOM 0 H GLN A 7 16.322 -11.613 -7.369 1.00 74.42 H new ATOM 0 HA GLN A 7 18.548 -11.304 -5.768 1.00 13.32 H new ATOM 0 HB2 GLN A 7 18.022 -12.663 -7.996 1.00 64.54 H new ATOM 0 HB3 GLN A 7 18.787 -11.289 -8.769 1.00 64.54 H new ATOM 0 HG2 GLN A 7 20.698 -11.705 -6.995 1.00 43.33 H new ATOM 0 HG3 GLN A 7 19.982 -13.300 -6.872 1.00 43.33 H new ATOM 0 HE21 GLN A 7 22.217 -11.388 -8.512 1.00 52.01 H new ATOM 0 HE22 GLN A 7 22.465 -12.411 -9.931 1.00 52.01 H new ATOM 120 N GLY A 8 19.560 -9.067 -5.989 1.00 73.54 N ATOM 121 CA GLY A 8 20.126 -7.734 -6.078 1.00 20.31 C ATOM 122 C GLY A 8 19.067 -6.651 -6.039 1.00 52.43 C ATOM 123 O GLY A 8 19.289 -5.539 -6.520 1.00 14.04 O ATOM 0 H GLY A 8 19.844 -9.599 -5.167 1.00 73.54 H new ATOM 0 HA2 GLY A 8 20.825 -7.584 -5.255 1.00 20.31 H new ATOM 0 HA3 GLY A 8 20.697 -7.646 -7.002 1.00 20.31 H new ATOM 127 N ASP A 9 17.912 -6.975 -5.468 1.00 1.50 N ATOM 128 CA ASP A 9 16.814 -6.020 -5.369 1.00 72.31 C ATOM 129 C ASP A 9 16.341 -5.884 -3.925 1.00 52.12 C ATOM 130 O ASP A 9 15.195 -5.514 -3.668 1.00 13.13 O ATOM 131 CB ASP A 9 15.650 -6.455 -6.261 1.00 60.41 C ATOM 132 CG ASP A 9 15.847 -6.050 -7.709 1.00 11.25 C ATOM 133 OD1 ASP A 9 16.504 -5.016 -7.950 1.00 61.14 O ATOM 134 OD2 ASP A 9 15.343 -6.766 -8.599 1.00 51.45 O ATOM 0 H ASP A 9 17.712 -7.891 -5.067 1.00 1.50 H new ATOM 0 HA ASP A 9 17.177 -5.049 -5.706 1.00 72.31 H new ATOM 0 HB2 ASP A 9 15.536 -7.537 -6.202 1.00 60.41 H new ATOM 0 HB3 ASP A 9 14.725 -6.016 -5.887 1.00 60.41 H new ATOM 139 N THR A 10 17.231 -6.186 -2.985 1.00 71.10 N ATOM 140 CA THR A 10 16.904 -6.100 -1.567 1.00 44.43 C ATOM 141 C THR A 10 16.817 -4.648 -1.111 1.00 12.11 C ATOM 142 O THR A 10 17.045 -3.725 -1.894 1.00 74.14 O ATOM 143 CB THR A 10 17.947 -6.835 -0.705 1.00 24.02 C ATOM 144 OG1 THR A 10 19.149 -6.060 -0.621 1.00 55.24 O ATOM 145 CG2 THR A 10 18.261 -8.205 -1.286 1.00 65.23 C ATOM 0 H THR A 10 18.184 -6.492 -3.180 1.00 71.10 H new ATOM 0 HA THR A 10 15.933 -6.578 -1.436 1.00 44.43 H new ATOM 0 HB THR A 10 17.531 -6.968 0.294 1.00 24.02 H new ATOM 0 HG1 THR A 10 19.369 -5.898 0.320 1.00 55.24 H new ATOM 0 HG21 THR A 10 19.000 -8.705 -0.660 1.00 65.23 H new ATOM 0 HG22 THR A 10 17.350 -8.803 -1.320 1.00 65.23 H new ATOM 0 HG23 THR A 10 18.658 -8.090 -2.295 1.00 65.23 H new ATOM 153 N LEU A 11 16.486 -4.451 0.161 1.00 61.44 N ATOM 154 CA LEU A 11 16.369 -3.110 0.722 1.00 22.13 C ATOM 155 C LEU A 11 17.597 -2.270 0.386 1.00 40.10 C ATOM 156 O LEU A 11 17.482 -1.090 0.055 1.00 2.42 O ATOM 157 CB LEU A 11 16.188 -3.185 2.239 1.00 25.24 C ATOM 158 CG LEU A 11 15.139 -4.177 2.742 1.00 21.31 C ATOM 159 CD1 LEU A 11 15.803 -5.460 3.220 1.00 54.40 C ATOM 160 CD2 LEU A 11 14.309 -3.557 3.856 1.00 1.25 C ATOM 0 H LEU A 11 16.294 -5.203 0.823 1.00 61.44 H new ATOM 0 HA LEU A 11 15.494 -2.633 0.281 1.00 22.13 H new ATOM 0 HB2 LEU A 11 17.148 -3.444 2.687 1.00 25.24 H new ATOM 0 HB3 LEU A 11 15.924 -2.192 2.603 1.00 25.24 H new ATOM 0 HG LEU A 11 14.474 -4.423 1.914 1.00 21.31 H new ATOM 0 HD11 LEU A 11 15.041 -6.154 3.574 1.00 54.40 H new ATOM 0 HD12 LEU A 11 16.352 -5.914 2.395 1.00 54.40 H new ATOM 0 HD13 LEU A 11 16.492 -5.232 4.033 1.00 54.40 H new ATOM 0 HD21 LEU A 11 13.568 -4.278 4.202 1.00 1.25 H new ATOM 0 HD22 LEU A 11 14.961 -3.281 4.685 1.00 1.25 H new ATOM 0 HD23 LEU A 11 13.803 -2.667 3.481 1.00 1.25 H new ATOM 172 N ASP A 12 18.771 -2.887 0.471 1.00 54.43 N ATOM 173 CA ASP A 12 20.020 -2.197 0.172 1.00 1.41 C ATOM 174 C ASP A 12 19.960 -1.534 -1.201 1.00 4.14 C ATOM 175 O ASP A 12 20.476 -0.433 -1.392 1.00 64.33 O ATOM 176 CB ASP A 12 21.194 -3.175 0.229 1.00 21.30 C ATOM 177 CG ASP A 12 21.386 -3.769 1.611 1.00 61.55 C ATOM 178 OD1 ASP A 12 22.072 -3.135 2.440 1.00 70.14 O ATOM 179 OD2 ASP A 12 20.850 -4.868 1.863 1.00 33.40 O ATOM 0 H ASP A 12 18.883 -3.863 0.744 1.00 54.43 H new ATOM 0 HA ASP A 12 20.167 -1.421 0.924 1.00 1.41 H new ATOM 0 HB2 ASP A 12 21.029 -3.978 -0.489 1.00 21.30 H new ATOM 0 HB3 ASP A 12 22.107 -2.661 -0.072 1.00 21.30 H new ATOM 184 N ALA A 13 19.328 -2.212 -2.153 1.00 21.35 N ATOM 185 CA ALA A 13 19.200 -1.689 -3.507 1.00 22.10 C ATOM 186 C ALA A 13 17.960 -0.812 -3.642 1.00 30.12 C ATOM 187 O ALA A 13 18.045 0.337 -4.076 1.00 3.00 O ATOM 188 CB ALA A 13 19.153 -2.831 -4.512 1.00 4.24 C ATOM 0 H ALA A 13 18.896 -3.125 -2.011 1.00 21.35 H new ATOM 0 HA ALA A 13 20.074 -1.072 -3.715 1.00 22.10 H new ATOM 0 HB1 ALA A 13 19.057 -2.426 -5.519 1.00 4.24 H new ATOM 0 HB2 ALA A 13 20.070 -3.415 -4.442 1.00 4.24 H new ATOM 0 HB3 ALA A 13 18.298 -3.471 -4.296 1.00 4.24 H new ATOM 194 N ILE A 14 16.809 -1.361 -3.268 1.00 63.31 N ATOM 195 CA ILE A 14 15.552 -0.628 -3.347 1.00 60.04 C ATOM 196 C ILE A 14 15.673 0.743 -2.692 1.00 2.43 C ATOM 197 O ILE A 14 15.348 1.764 -3.299 1.00 53.12 O ATOM 198 CB ILE A 14 14.404 -1.405 -2.677 1.00 73.34 C ATOM 199 CG1 ILE A 14 14.215 -2.764 -3.355 1.00 53.02 C ATOM 200 CG2 ILE A 14 13.116 -0.597 -2.730 1.00 73.30 C ATOM 201 CD1 ILE A 14 13.235 -3.666 -2.638 1.00 23.24 C ATOM 0 H ILE A 14 16.721 -2.311 -2.907 1.00 63.31 H new ATOM 0 HA ILE A 14 15.326 -0.503 -4.406 1.00 60.04 H new ATOM 0 HB ILE A 14 14.661 -1.574 -1.631 1.00 73.34 H new ATOM 0 HG12 ILE A 14 13.870 -2.606 -4.377 1.00 53.02 H new ATOM 0 HG13 ILE A 14 15.180 -3.267 -3.418 1.00 53.02 H new ATOM 0 HG21 ILE A 14 12.314 -1.159 -2.252 1.00 73.30 H new ATOM 0 HG22 ILE A 14 13.258 0.348 -2.206 1.00 73.30 H new ATOM 0 HG23 ILE A 14 12.852 -0.400 -3.769 1.00 73.30 H new ATOM 0 HD11 ILE A 14 13.151 -4.611 -3.174 1.00 23.24 H new ATOM 0 HD12 ILE A 14 13.588 -3.854 -1.624 1.00 23.24 H new ATOM 0 HD13 ILE A 14 12.258 -3.183 -2.598 1.00 23.24 H new ATOM 213 N CYS A 15 16.145 0.760 -1.450 1.00 73.50 N ATOM 214 CA CYS A 15 16.310 2.006 -0.711 1.00 44.32 C ATOM 215 C CYS A 15 17.137 3.007 -1.512 1.00 54.33 C ATOM 216 O CYS A 15 16.991 4.219 -1.350 1.00 63.02 O ATOM 217 CB CYS A 15 16.979 1.739 0.638 1.00 31.20 C ATOM 218 SG CYS A 15 15.918 0.893 1.833 1.00 15.51 S ATOM 0 H CYS A 15 16.420 -0.076 -0.934 1.00 73.50 H new ATOM 0 HA CYS A 15 15.321 2.432 -0.540 1.00 44.32 H new ATOM 0 HB2 CYS A 15 17.875 1.139 0.475 1.00 31.20 H new ATOM 0 HB3 CYS A 15 17.304 2.688 1.065 1.00 31.20 H new ATOM 0 HG CYS A 15 16.573 0.710 2.941 1.00 15.51 H new ATOM 224 N VAL A 16 18.006 2.492 -2.376 1.00 55.45 N ATOM 225 CA VAL A 16 18.856 3.341 -3.203 1.00 30.32 C ATOM 226 C VAL A 16 18.143 3.748 -4.488 1.00 5.15 C ATOM 227 O VAL A 16 18.401 4.818 -5.039 1.00 54.15 O ATOM 228 CB VAL A 16 20.175 2.632 -3.563 1.00 2.11 C ATOM 229 CG1 VAL A 16 21.015 3.503 -4.485 1.00 72.23 C ATOM 230 CG2 VAL A 16 20.949 2.275 -2.303 1.00 0.22 C ATOM 0 H VAL A 16 18.140 1.491 -2.522 1.00 55.45 H new ATOM 0 HA VAL A 16 19.079 4.233 -2.617 1.00 30.32 H new ATOM 0 HB VAL A 16 19.938 1.708 -4.091 1.00 2.11 H new ATOM 0 HG11 VAL A 16 21.943 2.986 -4.729 1.00 72.23 H new ATOM 0 HG12 VAL A 16 20.460 3.704 -5.401 1.00 72.23 H new ATOM 0 HG13 VAL A 16 21.245 4.445 -3.986 1.00 72.23 H new ATOM 0 HG21 VAL A 16 21.878 1.775 -2.576 1.00 0.22 H new ATOM 0 HG22 VAL A 16 21.176 3.184 -1.746 1.00 0.22 H new ATOM 0 HG23 VAL A 16 20.348 1.610 -1.683 1.00 0.22 H new ATOM 240 N ARG A 17 17.246 2.888 -4.958 1.00 64.04 N ATOM 241 CA ARG A 17 16.497 3.158 -6.179 1.00 75.12 C ATOM 242 C ARG A 17 15.249 3.983 -5.879 1.00 54.24 C ATOM 243 O ARG A 17 14.600 4.500 -6.790 1.00 22.13 O ATOM 244 CB ARG A 17 16.102 1.847 -6.861 1.00 61.42 C ATOM 245 CG ARG A 17 14.716 1.354 -6.479 1.00 0.04 C ATOM 246 CD ARG A 17 14.457 -0.047 -7.009 1.00 74.24 C ATOM 247 NE ARG A 17 13.271 -0.099 -7.861 1.00 20.45 N ATOM 248 CZ ARG A 17 13.265 0.274 -9.135 1.00 74.44 C ATOM 249 NH1 ARG A 17 14.375 0.723 -9.704 1.00 0.13 N ATOM 250 NH2 ARG A 17 12.146 0.197 -9.845 1.00 31.32 N ATOM 0 H ARG A 17 17.020 1.999 -4.512 1.00 64.04 H new ATOM 0 HA ARG A 17 17.138 3.730 -6.850 1.00 75.12 H new ATOM 0 HB2 ARG A 17 16.145 1.982 -7.942 1.00 61.42 H new ATOM 0 HB3 ARG A 17 16.834 1.080 -6.607 1.00 61.42 H new ATOM 0 HG2 ARG A 17 14.614 1.358 -5.394 1.00 0.04 H new ATOM 0 HG3 ARG A 17 13.964 2.038 -6.873 1.00 0.04 H new ATOM 0 HD2 ARG A 17 15.325 -0.387 -7.574 1.00 74.24 H new ATOM 0 HD3 ARG A 17 14.333 -0.734 -6.172 1.00 74.24 H new ATOM 0 HE ARG A 17 12.400 -0.441 -7.455 1.00 20.45 H new ATOM 0 HH11 ARG A 17 15.237 0.783 -9.163 1.00 0.13 H new ATOM 0 HH12 ARG A 17 14.367 1.009 -10.683 1.00 0.13 H new ATOM 0 HH21 ARG A 17 11.290 -0.149 -9.412 1.00 31.32 H new ATOM 0 HH22 ARG A 17 12.142 0.484 -10.824 1.00 31.32 H new ATOM 264 N TYR A 18 14.918 4.102 -4.598 1.00 70.04 N ATOM 265 CA TYR A 18 13.746 4.862 -4.179 1.00 23.43 C ATOM 266 C TYR A 18 14.156 6.167 -3.503 1.00 65.50 C ATOM 267 O TYR A 18 13.838 7.255 -3.984 1.00 22.53 O ATOM 268 CB TYR A 18 12.887 4.029 -3.226 1.00 22.14 C ATOM 269 CG TYR A 18 11.745 3.312 -3.910 1.00 24.33 C ATOM 270 CD1 TYR A 18 10.509 3.925 -4.068 1.00 33.23 C ATOM 271 CD2 TYR A 18 11.904 2.021 -4.399 1.00 31.20 C ATOM 272 CE1 TYR A 18 9.463 3.273 -4.691 1.00 73.23 C ATOM 273 CE2 TYR A 18 10.864 1.362 -5.025 1.00 72.34 C ATOM 274 CZ TYR A 18 9.645 1.992 -5.169 1.00 21.44 C ATOM 275 OH TYR A 18 8.606 1.339 -5.792 1.00 0.32 O ATOM 0 H TYR A 18 15.444 3.682 -3.832 1.00 70.04 H new ATOM 0 HA TYR A 18 13.163 5.102 -5.068 1.00 23.43 H new ATOM 0 HB2 TYR A 18 13.520 3.294 -2.728 1.00 22.14 H new ATOM 0 HB3 TYR A 18 12.484 4.680 -2.451 1.00 22.14 H new ATOM 0 HD1 TYR A 18 10.363 4.929 -3.697 1.00 33.23 H new ATOM 0 HD2 TYR A 18 12.857 1.525 -4.288 1.00 31.20 H new ATOM 0 HE1 TYR A 18 8.507 3.764 -4.803 1.00 73.23 H new ATOM 0 HE2 TYR A 18 11.004 0.359 -5.400 1.00 72.34 H new ATOM 0 HH TYR A 18 8.900 0.447 -6.070 1.00 0.32 H new ATOM 285 N TYR A 19 14.865 6.049 -2.386 1.00 2.02 N ATOM 286 CA TYR A 19 15.318 7.218 -1.642 1.00 4.23 C ATOM 287 C TYR A 19 16.720 7.633 -2.079 1.00 21.40 C ATOM 288 O TYR A 19 17.042 8.819 -2.127 1.00 65.11 O ATOM 289 CB TYR A 19 15.305 6.929 -0.140 1.00 3.44 C ATOM 290 CG TYR A 19 14.063 6.204 0.327 1.00 42.04 C ATOM 291 CD1 TYR A 19 12.870 6.887 0.528 1.00 22.12 C ATOM 292 CD2 TYR A 19 14.083 4.835 0.565 1.00 53.23 C ATOM 293 CE1 TYR A 19 11.733 6.228 0.955 1.00 44.32 C ATOM 294 CE2 TYR A 19 12.950 4.168 0.990 1.00 23.02 C ATOM 295 CZ TYR A 19 11.778 4.869 1.184 1.00 23.13 C ATOM 296 OH TYR A 19 10.648 4.209 1.608 1.00 73.10 O ATOM 0 H TYR A 19 15.138 5.156 -1.976 1.00 2.02 H new ATOM 0 HA TYR A 19 14.633 8.039 -1.854 1.00 4.23 H new ATOM 0 HB2 TYR A 19 16.181 6.332 0.114 1.00 3.44 H new ATOM 0 HB3 TYR A 19 15.392 7.870 0.403 1.00 3.44 H new ATOM 0 HD1 TYR A 19 12.831 7.951 0.347 1.00 22.12 H new ATOM 0 HD2 TYR A 19 14.999 4.283 0.415 1.00 53.23 H new ATOM 0 HE1 TYR A 19 10.814 6.774 1.109 1.00 44.32 H new ATOM 0 HE2 TYR A 19 12.982 3.103 1.169 1.00 23.02 H new ATOM 0 HH TYR A 19 10.191 4.747 2.288 1.00 73.10 H new ATOM 306 N GLY A 20 17.550 6.644 -2.398 1.00 21.01 N ATOM 307 CA GLY A 20 18.907 6.925 -2.828 1.00 25.42 C ATOM 308 C GLY A 20 19.902 6.862 -1.686 1.00 0.24 C ATOM 309 O GLY A 20 21.018 7.369 -1.797 1.00 42.42 O ATOM 0 H GLY A 20 17.307 5.654 -2.366 1.00 21.01 H new ATOM 0 HA2 GLY A 20 19.196 6.210 -3.598 1.00 25.42 H new ATOM 0 HA3 GLY A 20 18.943 7.915 -3.283 1.00 25.42 H new ATOM 313 N ARG A 21 19.497 6.240 -0.583 1.00 54.14 N ATOM 314 CA ARG A 21 20.359 6.116 0.585 1.00 5.12 C ATOM 315 C ARG A 21 19.813 5.074 1.556 1.00 30.34 C ATOM 316 O ARG A 21 18.619 4.770 1.552 1.00 25.11 O ATOM 317 CB ARG A 21 20.494 7.466 1.292 1.00 50.21 C ATOM 318 CG ARG A 21 19.335 7.785 2.222 1.00 32.10 C ATOM 319 CD ARG A 21 18.027 7.918 1.457 1.00 3.51 C ATOM 320 NE ARG A 21 18.100 8.948 0.424 1.00 3.20 N ATOM 321 CZ ARG A 21 17.942 10.245 0.666 1.00 30.41 C ATOM 322 NH1 ARG A 21 17.703 10.668 1.900 1.00 65.22 N ATOM 323 NH2 ARG A 21 18.023 11.121 -0.327 1.00 73.10 N ATOM 0 H ARG A 21 18.577 5.814 -0.475 1.00 54.14 H new ATOM 0 HA ARG A 21 21.343 5.791 0.246 1.00 5.12 H new ATOM 0 HB2 ARG A 21 21.421 7.476 1.865 1.00 50.21 H new ATOM 0 HB3 ARG A 21 20.574 8.253 0.542 1.00 50.21 H new ATOM 0 HG2 ARG A 21 19.241 6.999 2.971 1.00 32.10 H new ATOM 0 HG3 ARG A 21 19.541 8.712 2.757 1.00 32.10 H new ATOM 0 HD2 ARG A 21 17.776 6.962 0.998 1.00 3.51 H new ATOM 0 HD3 ARG A 21 17.223 8.158 2.153 1.00 3.51 H new ATOM 0 HE ARG A 21 18.282 8.656 -0.536 1.00 3.20 H new ATOM 0 HH11 ARG A 21 17.640 9.997 2.666 1.00 65.22 H new ATOM 0 HH12 ARG A 21 17.582 11.664 2.083 1.00 65.22 H new ATOM 0 HH21 ARG A 21 18.207 10.799 -1.277 1.00 73.10 H new ATOM 0 HH22 ARG A 21 17.902 12.116 -0.140 1.00 73.10 H new ATOM 337 N THR A 22 20.695 4.528 2.389 1.00 75.25 N ATOM 338 CA THR A 22 20.302 3.519 3.364 1.00 73.32 C ATOM 339 C THR A 22 20.405 4.059 4.786 1.00 62.53 C ATOM 340 O THR A 22 19.696 3.606 5.684 1.00 50.14 O ATOM 341 CB THR A 22 21.170 2.252 3.243 1.00 4.41 C ATOM 342 OG1 THR A 22 22.497 2.605 2.835 1.00 11.54 O ATOM 343 CG2 THR A 22 20.569 1.277 2.242 1.00 4.31 C ATOM 0 H THR A 22 21.686 4.768 2.407 1.00 75.25 H new ATOM 0 HA THR A 22 19.265 3.261 3.151 1.00 73.32 H new ATOM 0 HB THR A 22 21.206 1.769 4.219 1.00 4.41 H new ATOM 0 HG1 THR A 22 23.043 1.795 2.762 1.00 11.54 H new ATOM 0 HG21 THR A 22 21.200 0.391 2.174 1.00 4.31 H new ATOM 0 HG22 THR A 22 19.571 0.988 2.570 1.00 4.31 H new ATOM 0 HG23 THR A 22 20.506 1.753 1.264 1.00 4.31 H new ATOM 351 N GLU A 23 21.293 5.029 4.982 1.00 32.54 N ATOM 352 CA GLU A 23 21.488 5.629 6.297 1.00 50.34 C ATOM 353 C GLU A 23 20.223 6.346 6.761 1.00 70.43 C ATOM 354 O GLU A 23 19.829 7.364 6.193 1.00 24.25 O ATOM 355 CB GLU A 23 22.661 6.612 6.264 1.00 74.23 C ATOM 356 CG GLU A 23 22.975 7.230 7.616 1.00 62.52 C ATOM 357 CD GLU A 23 23.469 6.209 8.623 1.00 72.12 C ATOM 358 OE1 GLU A 23 24.179 5.267 8.212 1.00 2.24 O ATOM 359 OE2 GLU A 23 23.145 6.351 9.820 1.00 0.42 O ATOM 0 H GLU A 23 21.887 5.415 4.249 1.00 32.54 H new ATOM 0 HA GLU A 23 21.712 4.830 7.003 1.00 50.34 H new ATOM 0 HB2 GLU A 23 23.547 6.095 5.896 1.00 74.23 H new ATOM 0 HB3 GLU A 23 22.438 7.408 5.553 1.00 74.23 H new ATOM 0 HG2 GLU A 23 23.730 8.006 7.490 1.00 62.52 H new ATOM 0 HG3 GLU A 23 22.081 7.716 8.006 1.00 62.52 H new ATOM 366 N GLY A 24 19.590 5.804 7.797 1.00 13.31 N ATOM 367 CA GLY A 24 18.376 6.403 8.320 1.00 12.50 C ATOM 368 C GLY A 24 17.126 5.837 7.677 1.00 72.34 C ATOM 369 O GLY A 24 16.025 5.977 8.211 1.00 44.35 O ATOM 0 H GLY A 24 19.896 4.961 8.283 1.00 13.31 H new ATOM 0 HA2 GLY A 24 18.331 6.243 9.397 1.00 12.50 H new ATOM 0 HA3 GLY A 24 18.408 7.481 8.159 1.00 12.50 H new ATOM 373 N VAL A 25 17.294 5.195 6.525 1.00 51.14 N ATOM 374 CA VAL A 25 16.170 4.606 5.807 1.00 60.52 C ATOM 375 C VAL A 25 16.009 3.130 6.154 1.00 21.15 C ATOM 376 O VAL A 25 14.897 2.651 6.375 1.00 31.42 O ATOM 377 CB VAL A 25 16.341 4.747 4.283 1.00 62.13 C ATOM 378 CG1 VAL A 25 15.074 4.315 3.561 1.00 62.45 C ATOM 379 CG2 VAL A 25 16.710 6.177 3.919 1.00 45.02 C ATOM 0 H VAL A 25 18.198 5.070 6.069 1.00 51.14 H new ATOM 0 HA VAL A 25 15.277 5.149 6.117 1.00 60.52 H new ATOM 0 HB VAL A 25 17.153 4.094 3.964 1.00 62.13 H new ATOM 0 HG11 VAL A 25 15.214 4.422 2.485 1.00 62.45 H new ATOM 0 HG12 VAL A 25 14.858 3.273 3.797 1.00 62.45 H new ATOM 0 HG13 VAL A 25 14.241 4.940 3.882 1.00 62.45 H new ATOM 0 HG21 VAL A 25 16.827 6.259 2.838 1.00 45.02 H new ATOM 0 HG22 VAL A 25 15.921 6.852 4.251 1.00 45.02 H new ATOM 0 HG23 VAL A 25 17.647 6.446 4.407 1.00 45.02 H new ATOM 389 N VAL A 26 17.128 2.413 6.202 1.00 13.40 N ATOM 390 CA VAL A 26 17.112 0.992 6.525 1.00 73.44 C ATOM 391 C VAL A 26 16.336 0.728 7.810 1.00 11.53 C ATOM 392 O VAL A 26 15.636 -0.276 7.929 1.00 32.42 O ATOM 393 CB VAL A 26 18.540 0.434 6.677 1.00 54.45 C ATOM 394 CG1 VAL A 26 19.273 0.474 5.344 1.00 11.04 C ATOM 395 CG2 VAL A 26 19.304 1.211 7.738 1.00 32.44 C ATOM 0 H VAL A 26 18.057 2.794 6.021 1.00 13.40 H new ATOM 0 HA VAL A 26 16.618 0.486 5.696 1.00 73.44 H new ATOM 0 HB VAL A 26 18.474 -0.606 6.997 1.00 54.45 H new ATOM 0 HG11 VAL A 26 20.280 0.076 5.470 1.00 11.04 H new ATOM 0 HG12 VAL A 26 18.733 -0.129 4.614 1.00 11.04 H new ATOM 0 HG13 VAL A 26 19.331 1.504 4.992 1.00 11.04 H new ATOM 0 HG21 VAL A 26 20.311 0.804 7.833 1.00 32.44 H new ATOM 0 HG22 VAL A 26 19.363 2.260 7.449 1.00 32.44 H new ATOM 0 HG23 VAL A 26 18.787 1.126 8.694 1.00 32.44 H new ATOM 405 N GLU A 27 16.465 1.639 8.770 1.00 4.11 N ATOM 406 CA GLU A 27 15.776 1.504 10.048 1.00 51.41 C ATOM 407 C GLU A 27 14.265 1.614 9.865 1.00 11.31 C ATOM 408 O GLU A 27 13.493 0.963 10.570 1.00 61.12 O ATOM 409 CB GLU A 27 16.261 2.573 11.030 1.00 51.45 C ATOM 410 CG GLU A 27 16.630 2.022 12.396 1.00 23.13 C ATOM 411 CD GLU A 27 15.491 2.120 13.392 1.00 21.13 C ATOM 412 OE1 GLU A 27 14.732 3.110 13.329 1.00 22.21 O ATOM 413 OE2 GLU A 27 15.359 1.208 14.235 1.00 75.35 O ATOM 0 H GLU A 27 17.040 2.478 8.687 1.00 4.11 H new ATOM 0 HA GLU A 27 16.005 0.518 10.453 1.00 51.41 H new ATOM 0 HB2 GLU A 27 17.128 3.078 10.605 1.00 51.45 H new ATOM 0 HB3 GLU A 27 15.481 3.325 11.150 1.00 51.45 H new ATOM 0 HG2 GLU A 27 16.930 0.979 12.294 1.00 23.13 H new ATOM 0 HG3 GLU A 27 17.493 2.565 12.782 1.00 23.13 H new ATOM 420 N THR A 28 13.849 2.444 8.914 1.00 54.25 N ATOM 421 CA THR A 28 12.431 2.642 8.638 1.00 21.22 C ATOM 422 C THR A 28 11.781 1.352 8.150 1.00 51.41 C ATOM 423 O THR A 28 10.898 0.802 8.808 1.00 2.24 O ATOM 424 CB THR A 28 12.212 3.745 7.585 1.00 33.44 C ATOM 425 OG1 THR A 28 13.202 4.768 7.735 1.00 51.24 O ATOM 426 CG2 THR A 28 10.823 4.352 7.719 1.00 23.30 C ATOM 0 H THR A 28 14.474 2.990 8.321 1.00 54.25 H new ATOM 0 HA THR A 28 11.966 2.948 9.575 1.00 21.22 H new ATOM 0 HB THR A 28 12.301 3.296 6.596 1.00 33.44 H new ATOM 0 HG1 THR A 28 13.057 5.465 7.061 1.00 51.24 H new ATOM 0 HG21 THR A 28 10.691 5.128 6.965 1.00 23.30 H new ATOM 0 HG22 THR A 28 10.071 3.576 7.576 1.00 23.30 H new ATOM 0 HG23 THR A 28 10.710 4.787 8.712 1.00 23.30 H new ATOM 434 N VAL A 29 12.223 0.874 6.991 1.00 22.12 N ATOM 435 CA VAL A 29 11.685 -0.353 6.415 1.00 2.23 C ATOM 436 C VAL A 29 11.865 -1.531 7.366 1.00 61.02 C ATOM 437 O VAL A 29 10.964 -2.355 7.529 1.00 52.23 O ATOM 438 CB VAL A 29 12.359 -0.684 5.071 1.00 65.42 C ATOM 439 CG1 VAL A 29 11.657 -1.852 4.395 1.00 41.14 C ATOM 440 CG2 VAL A 29 12.371 0.538 4.165 1.00 4.14 C ATOM 0 H VAL A 29 12.952 1.318 6.433 1.00 22.12 H new ATOM 0 HA VAL A 29 10.621 -0.185 6.247 1.00 2.23 H new ATOM 0 HB VAL A 29 13.392 -0.974 5.264 1.00 65.42 H new ATOM 0 HG11 VAL A 29 12.147 -2.072 3.447 1.00 41.14 H new ATOM 0 HG12 VAL A 29 11.706 -2.729 5.040 1.00 41.14 H new ATOM 0 HG13 VAL A 29 10.614 -1.594 4.213 1.00 41.14 H new ATOM 0 HG21 VAL A 29 12.851 0.285 3.220 1.00 4.14 H new ATOM 0 HG22 VAL A 29 11.347 0.862 3.977 1.00 4.14 H new ATOM 0 HG23 VAL A 29 12.923 1.344 4.648 1.00 4.14 H new ATOM 450 N LEU A 30 13.034 -1.606 7.992 1.00 2.40 N ATOM 451 CA LEU A 30 13.333 -2.684 8.928 1.00 4.43 C ATOM 452 C LEU A 30 12.235 -2.813 9.978 1.00 35.52 C ATOM 453 O LEU A 30 11.885 -3.919 10.391 1.00 14.42 O ATOM 454 CB LEU A 30 14.680 -2.434 9.611 1.00 75.24 C ATOM 455 CG LEU A 30 15.118 -3.483 10.634 1.00 50.44 C ATOM 456 CD1 LEU A 30 15.353 -4.824 9.956 1.00 5.32 C ATOM 457 CD2 LEU A 30 16.372 -3.024 11.363 1.00 22.02 C ATOM 0 H LEU A 30 13.791 -0.933 7.868 1.00 2.40 H new ATOM 0 HA LEU A 30 13.385 -3.616 8.366 1.00 4.43 H new ATOM 0 HB2 LEU A 30 15.448 -2.364 8.841 1.00 75.24 H new ATOM 0 HB3 LEU A 30 14.638 -1.465 10.109 1.00 75.24 H new ATOM 0 HG LEU A 30 14.320 -3.605 11.366 1.00 50.44 H new ATOM 0 HD11 LEU A 30 15.664 -5.558 10.699 1.00 5.32 H new ATOM 0 HD12 LEU A 30 14.431 -5.158 9.480 1.00 5.32 H new ATOM 0 HD13 LEU A 30 16.133 -4.719 9.202 1.00 5.32 H new ATOM 0 HD21 LEU A 30 16.670 -3.782 12.087 1.00 22.02 H new ATOM 0 HD22 LEU A 30 17.177 -2.874 10.643 1.00 22.02 H new ATOM 0 HD23 LEU A 30 16.169 -2.087 11.881 1.00 22.02 H new ATOM 469 N ALA A 31 11.693 -1.677 10.404 1.00 31.01 N ATOM 470 CA ALA A 31 10.631 -1.664 11.402 1.00 32.04 C ATOM 471 C ALA A 31 9.327 -2.204 10.824 1.00 23.42 C ATOM 472 O ALA A 31 8.530 -2.817 11.533 1.00 30.52 O ATOM 473 CB ALA A 31 10.428 -0.255 11.939 1.00 3.21 C ATOM 0 H ALA A 31 11.972 -0.753 10.073 1.00 31.01 H new ATOM 0 HA ALA A 31 10.931 -2.315 12.223 1.00 32.04 H new ATOM 0 HB1 ALA A 31 9.632 -0.261 12.683 1.00 3.21 H new ATOM 0 HB2 ALA A 31 11.352 0.096 12.399 1.00 3.21 H new ATOM 0 HB3 ALA A 31 10.155 0.411 11.120 1.00 3.21 H new ATOM 479 N ALA A 32 9.117 -1.972 9.533 1.00 61.13 N ATOM 480 CA ALA A 32 7.911 -2.437 8.859 1.00 13.14 C ATOM 481 C ALA A 32 7.938 -3.949 8.666 1.00 61.22 C ATOM 482 O ALA A 32 6.900 -4.608 8.706 1.00 62.22 O ATOM 483 CB ALA A 32 7.750 -1.734 7.519 1.00 21.15 C ATOM 0 H ALA A 32 9.767 -1.465 8.932 1.00 61.13 H new ATOM 0 HA ALA A 32 7.056 -2.193 9.489 1.00 13.14 H new ATOM 0 HB1 ALA A 32 6.845 -2.091 7.027 1.00 21.15 H new ATOM 0 HB2 ALA A 32 7.675 -0.658 7.679 1.00 21.15 H new ATOM 0 HB3 ALA A 32 8.614 -1.948 6.890 1.00 21.15 H new ATOM 489 N ASN A 33 9.133 -4.493 8.455 1.00 14.43 N ATOM 490 CA ASN A 33 9.295 -5.928 8.254 1.00 14.00 C ATOM 491 C ASN A 33 10.147 -6.540 9.362 1.00 53.13 C ATOM 492 O ASN A 33 11.283 -6.962 9.144 1.00 52.50 O ATOM 493 CB ASN A 33 9.934 -6.204 6.892 1.00 60.13 C ATOM 494 CG ASN A 33 8.902 -6.394 5.797 1.00 63.34 C ATOM 495 OD1 ASN A 33 8.814 -7.462 5.191 1.00 73.24 O ATOM 496 ND2 ASN A 33 8.116 -5.356 5.538 1.00 42.21 N ATOM 0 H ASN A 33 10.003 -3.961 8.419 1.00 14.43 H new ATOM 0 HA ASN A 33 8.307 -6.388 8.284 1.00 14.00 H new ATOM 0 HB2 ASN A 33 10.592 -5.376 6.628 1.00 60.13 H new ATOM 0 HB3 ASN A 33 10.556 -7.096 6.960 1.00 60.13 H new ATOM 0 HD21 ASN A 33 7.403 -5.425 4.811 1.00 42.21 H new ATOM 0 HD22 ASN A 33 8.225 -4.490 6.066 1.00 42.21 H new ATOM 503 N PRO A 34 9.587 -6.591 10.579 1.00 14.24 N ATOM 504 CA PRO A 34 10.277 -7.150 11.745 1.00 32.34 C ATOM 505 C PRO A 34 10.442 -8.663 11.651 1.00 72.24 C ATOM 506 O PRO A 34 9.573 -9.361 11.129 1.00 50.30 O ATOM 507 CB PRO A 34 9.355 -6.785 12.912 1.00 64.00 C ATOM 508 CG PRO A 34 8.006 -6.641 12.298 1.00 33.30 C ATOM 509 CD PRO A 34 8.236 -6.107 10.912 1.00 42.44 C ATOM 0 HA PRO A 34 11.290 -6.759 11.845 1.00 32.34 H new ATOM 0 HB2 PRO A 34 9.360 -7.560 13.678 1.00 64.00 H new ATOM 0 HB3 PRO A 34 9.672 -5.859 13.393 1.00 64.00 H new ATOM 0 HG2 PRO A 34 7.488 -7.599 12.266 1.00 33.30 H new ATOM 0 HG3 PRO A 34 7.383 -5.961 12.880 1.00 33.30 H new ATOM 0 HD2 PRO A 34 7.491 -6.480 10.209 1.00 42.44 H new ATOM 0 HD3 PRO A 34 8.182 -5.019 10.887 1.00 42.44 H new ATOM 517 N GLY A 35 11.563 -9.165 12.159 1.00 4.21 N ATOM 518 CA GLY A 35 11.821 -10.592 12.122 1.00 63.43 C ATOM 519 C GLY A 35 12.547 -11.018 10.861 1.00 52.35 C ATOM 520 O GLY A 35 13.063 -12.133 10.778 1.00 33.21 O ATOM 0 H GLY A 35 12.298 -8.608 12.596 1.00 4.21 H new ATOM 0 HA2 GLY A 35 12.415 -10.873 12.992 1.00 63.43 H new ATOM 0 HA3 GLY A 35 10.876 -11.131 12.193 1.00 63.43 H new ATOM 524 N LEU A 36 12.586 -10.129 9.874 1.00 11.32 N ATOM 525 CA LEU A 36 13.252 -10.418 8.609 1.00 23.12 C ATOM 526 C LEU A 36 14.764 -10.261 8.742 1.00 72.43 C ATOM 527 O LEU A 36 15.524 -10.744 7.903 1.00 54.14 O ATOM 528 CB LEU A 36 12.727 -9.493 7.510 1.00 73.41 C ATOM 529 CG LEU A 36 13.488 -9.526 6.184 1.00 2.14 C ATOM 530 CD1 LEU A 36 12.519 -9.552 5.013 1.00 63.24 C ATOM 531 CD2 LEU A 36 14.425 -8.331 6.078 1.00 74.22 C ATOM 0 H LEU A 36 12.164 -9.202 9.926 1.00 11.32 H new ATOM 0 HA LEU A 36 13.034 -11.452 8.340 1.00 23.12 H new ATOM 0 HB2 LEU A 36 11.686 -9.749 7.315 1.00 73.41 H new ATOM 0 HB3 LEU A 36 12.739 -8.470 7.887 1.00 73.41 H new ATOM 0 HG LEU A 36 14.087 -10.436 6.153 1.00 2.14 H new ATOM 0 HD11 LEU A 36 13.079 -9.575 4.078 1.00 63.24 H new ATOM 0 HD12 LEU A 36 11.890 -10.439 5.081 1.00 63.24 H new ATOM 0 HD13 LEU A 36 11.893 -8.660 5.039 1.00 63.24 H new ATOM 0 HD21 LEU A 36 14.959 -8.370 5.128 1.00 74.22 H new ATOM 0 HD22 LEU A 36 13.846 -7.409 6.131 1.00 74.22 H new ATOM 0 HD23 LEU A 36 15.142 -8.357 6.898 1.00 74.22 H new ATOM 543 N ALA A 37 15.193 -9.585 9.802 1.00 33.45 N ATOM 544 CA ALA A 37 16.613 -9.369 10.047 1.00 22.03 C ATOM 545 C ALA A 37 17.360 -10.694 10.153 1.00 21.25 C ATOM 546 O ALA A 37 18.574 -10.749 9.961 1.00 61.53 O ATOM 547 CB ALA A 37 16.812 -8.546 11.312 1.00 75.43 C ATOM 0 H ALA A 37 14.577 -9.177 10.505 1.00 33.45 H new ATOM 0 HA ALA A 37 17.022 -8.818 9.200 1.00 22.03 H new ATOM 0 HB1 ALA A 37 17.878 -8.393 11.482 1.00 75.43 H new ATOM 0 HB2 ALA A 37 16.320 -7.580 11.199 1.00 75.43 H new ATOM 0 HB3 ALA A 37 16.381 -9.075 12.162 1.00 75.43 H new ATOM 553 N GLU A 38 16.626 -11.759 10.462 1.00 42.11 N ATOM 554 CA GLU A 38 17.221 -13.083 10.595 1.00 22.50 C ATOM 555 C GLU A 38 17.227 -13.814 9.255 1.00 23.45 C ATOM 556 O GLU A 38 17.871 -14.853 9.105 1.00 25.41 O ATOM 557 CB GLU A 38 16.458 -13.907 11.635 1.00 65.45 C ATOM 558 CG GLU A 38 15.030 -14.227 11.229 1.00 75.03 C ATOM 559 CD GLU A 38 14.725 -15.711 11.286 1.00 71.42 C ATOM 560 OE1 GLU A 38 15.317 -16.470 10.491 1.00 64.23 O ATOM 561 OE2 GLU A 38 13.894 -16.114 12.126 1.00 14.25 O ATOM 0 H GLU A 38 15.619 -11.730 10.625 1.00 42.11 H new ATOM 0 HA GLU A 38 18.252 -12.959 10.926 1.00 22.50 H new ATOM 0 HB2 GLU A 38 16.994 -14.839 11.812 1.00 65.45 H new ATOM 0 HB3 GLU A 38 16.445 -13.363 12.579 1.00 65.45 H new ATOM 0 HG2 GLU A 38 14.342 -13.693 11.884 1.00 75.03 H new ATOM 0 HG3 GLU A 38 14.854 -13.862 10.217 1.00 75.03 H new ATOM 568 N LEU A 39 16.505 -13.265 8.285 1.00 3.33 N ATOM 569 CA LEU A 39 16.426 -13.864 6.957 1.00 1.54 C ATOM 570 C LEU A 39 17.819 -14.130 6.396 1.00 22.13 C ATOM 571 O LEU A 39 18.125 -15.242 5.968 1.00 73.11 O ATOM 572 CB LEU A 39 15.649 -12.949 6.009 1.00 15.24 C ATOM 573 CG LEU A 39 15.212 -13.572 4.683 1.00 33.12 C ATOM 574 CD1 LEU A 39 14.400 -14.834 4.928 1.00 32.54 C ATOM 575 CD2 LEU A 39 14.411 -12.572 3.862 1.00 41.00 C ATOM 0 H LEU A 39 15.966 -12.406 8.393 1.00 3.33 H new ATOM 0 HA LEU A 39 15.902 -14.816 7.045 1.00 1.54 H new ATOM 0 HB2 LEU A 39 14.761 -12.590 6.529 1.00 15.24 H new ATOM 0 HB3 LEU A 39 16.265 -12.077 5.792 1.00 15.24 H new ATOM 0 HG LEU A 39 16.105 -13.843 4.119 1.00 33.12 H new ATOM 0 HD11 LEU A 39 14.098 -15.263 3.973 1.00 32.54 H new ATOM 0 HD12 LEU A 39 15.006 -15.556 5.475 1.00 32.54 H new ATOM 0 HD13 LEU A 39 13.513 -14.588 5.512 1.00 32.54 H new ATOM 0 HD21 LEU A 39 14.108 -13.033 2.922 1.00 41.00 H new ATOM 0 HD22 LEU A 39 13.525 -12.270 4.420 1.00 41.00 H new ATOM 0 HD23 LEU A 39 15.025 -11.696 3.655 1.00 41.00 H new ATOM 587 N GLY A 40 18.662 -13.101 6.404 1.00 32.50 N ATOM 588 CA GLY A 40 20.013 -13.246 5.895 1.00 3.34 C ATOM 589 C GLY A 40 20.453 -12.052 5.072 1.00 4.51 C ATOM 590 O GLY A 40 19.934 -10.949 5.239 1.00 54.32 O ATOM 0 H GLY A 40 18.433 -12.171 6.754 1.00 32.50 H new ATOM 0 HA2 GLY A 40 20.700 -13.381 6.730 1.00 3.34 H new ATOM 0 HA3 GLY A 40 20.073 -14.147 5.284 1.00 3.34 H new ATOM 594 N ALA A 41 21.416 -12.271 4.182 1.00 55.22 N ATOM 595 CA ALA A 41 21.925 -11.204 3.329 1.00 2.15 C ATOM 596 C ALA A 41 20.916 -10.836 2.248 1.00 54.14 C ATOM 597 O ALA A 41 20.250 -9.804 2.331 1.00 53.21 O ATOM 598 CB ALA A 41 23.248 -11.617 2.701 1.00 0.22 C ATOM 0 H ALA A 41 21.859 -13.178 4.033 1.00 55.22 H new ATOM 0 HA ALA A 41 22.089 -10.323 3.950 1.00 2.15 H new ATOM 0 HB1 ALA A 41 23.617 -10.811 2.067 1.00 0.22 H new ATOM 0 HB2 ALA A 41 23.975 -11.822 3.487 1.00 0.22 H new ATOM 0 HB3 ALA A 41 23.101 -12.514 2.099 1.00 0.22 H new ATOM 604 N VAL A 42 20.807 -11.686 1.232 1.00 63.34 N ATOM 605 CA VAL A 42 19.878 -11.450 0.133 1.00 63.50 C ATOM 606 C VAL A 42 18.518 -12.076 0.420 1.00 71.03 C ATOM 607 O VAL A 42 18.431 -13.215 0.880 1.00 74.31 O ATOM 608 CB VAL A 42 20.422 -12.016 -1.193 1.00 12.33 C ATOM 609 CG1 VAL A 42 19.546 -11.581 -2.358 1.00 35.33 C ATOM 610 CG2 VAL A 42 21.863 -11.578 -1.407 1.00 30.42 C ATOM 0 H VAL A 42 21.351 -12.545 1.147 1.00 63.34 H new ATOM 0 HA VAL A 42 19.765 -10.370 0.039 1.00 63.50 H new ATOM 0 HB VAL A 42 20.401 -13.104 -1.140 1.00 12.33 H new ATOM 0 HG11 VAL A 42 19.945 -11.990 -3.286 1.00 35.33 H new ATOM 0 HG12 VAL A 42 18.531 -11.948 -2.207 1.00 35.33 H new ATOM 0 HG13 VAL A 42 19.533 -10.493 -2.417 1.00 35.33 H new ATOM 0 HG21 VAL A 42 22.232 -11.987 -2.348 1.00 30.42 H new ATOM 0 HG22 VAL A 42 21.911 -10.490 -1.440 1.00 30.42 H new ATOM 0 HG23 VAL A 42 22.480 -11.944 -0.586 1.00 30.42 H new ATOM 620 N LEU A 43 17.458 -11.324 0.145 1.00 74.42 N ATOM 621 CA LEU A 43 16.099 -11.805 0.372 1.00 22.15 C ATOM 622 C LEU A 43 15.657 -12.739 -0.750 1.00 13.24 C ATOM 623 O LEU A 43 16.120 -12.646 -1.887 1.00 13.14 O ATOM 624 CB LEU A 43 15.131 -10.626 0.481 1.00 3.44 C ATOM 625 CG LEU A 43 15.559 -9.491 1.413 1.00 55.43 C ATOM 626 CD1 LEU A 43 15.280 -8.140 0.771 1.00 22.20 C ATOM 627 CD2 LEU A 43 14.846 -9.603 2.753 1.00 60.44 C ATOM 0 H LEU A 43 17.513 -10.379 -0.235 1.00 74.42 H new ATOM 0 HA LEU A 43 16.089 -12.363 1.309 1.00 22.15 H new ATOM 0 HB2 LEU A 43 14.979 -10.213 -0.516 1.00 3.44 H new ATOM 0 HB3 LEU A 43 14.166 -11.004 0.820 1.00 3.44 H new ATOM 0 HG LEU A 43 16.632 -9.574 1.587 1.00 55.43 H new ATOM 0 HD11 LEU A 43 15.591 -7.344 1.448 1.00 22.20 H new ATOM 0 HD12 LEU A 43 15.836 -8.059 -0.163 1.00 22.20 H new ATOM 0 HD13 LEU A 43 14.213 -8.047 0.567 1.00 22.20 H new ATOM 0 HD21 LEU A 43 15.163 -8.787 3.403 1.00 60.44 H new ATOM 0 HD22 LEU A 43 13.769 -9.546 2.598 1.00 60.44 H new ATOM 0 HD23 LEU A 43 15.095 -10.556 3.219 1.00 60.44 H new ATOM 639 N PRO A 44 14.737 -13.660 -0.425 1.00 41.13 N ATOM 640 CA PRO A 44 14.210 -14.627 -1.393 1.00 14.43 C ATOM 641 C PRO A 44 13.322 -13.969 -2.444 1.00 65.14 C ATOM 642 O PRO A 44 12.417 -13.202 -2.116 1.00 32.24 O ATOM 643 CB PRO A 44 13.390 -15.585 -0.525 1.00 71.23 C ATOM 644 CG PRO A 44 13.003 -14.780 0.667 1.00 23.42 C ATOM 645 CD PRO A 44 14.141 -13.828 0.911 1.00 62.02 C ATOM 0 HA PRO A 44 15.005 -15.115 -1.957 1.00 14.43 H new ATOM 0 HB2 PRO A 44 12.512 -15.949 -1.059 1.00 71.23 H new ATOM 0 HB3 PRO A 44 13.975 -16.459 -0.239 1.00 71.23 H new ATOM 0 HG2 PRO A 44 12.074 -14.239 0.488 1.00 23.42 H new ATOM 0 HG3 PRO A 44 12.837 -15.420 1.533 1.00 23.42 H new ATOM 0 HD2 PRO A 44 13.791 -12.879 1.317 1.00 62.02 H new ATOM 0 HD3 PRO A 44 14.859 -14.234 1.623 1.00 62.02 H new ATOM 653 N HIS A 45 13.588 -14.274 -3.711 1.00 20.24 N ATOM 654 CA HIS A 45 12.812 -13.713 -4.811 1.00 63.00 C ATOM 655 C HIS A 45 11.317 -13.898 -4.572 1.00 31.45 C ATOM 656 O HIS A 45 10.787 -15.000 -4.712 1.00 45.12 O ATOM 657 CB HIS A 45 13.214 -14.369 -6.133 1.00 1.35 C ATOM 658 CG HIS A 45 13.171 -15.865 -6.096 1.00 25.42 C ATOM 659 ND1 HIS A 45 12.114 -16.601 -6.589 1.00 2.50 N ATOM 660 CD2 HIS A 45 14.065 -16.765 -5.622 1.00 60.24 C ATOM 661 CE1 HIS A 45 12.358 -17.888 -6.419 1.00 5.41 C ATOM 662 NE2 HIS A 45 13.536 -18.015 -5.835 1.00 3.42 N ATOM 0 H HIS A 45 14.334 -14.906 -4.001 1.00 20.24 H new ATOM 0 HA HIS A 45 13.024 -12.645 -4.864 1.00 63.00 H new ATOM 0 HB2 HIS A 45 12.551 -14.014 -6.922 1.00 1.35 H new ATOM 0 HB3 HIS A 45 14.222 -14.049 -6.396 1.00 1.35 H new ATOM 0 HD2 HIS A 45 15.016 -16.542 -5.162 1.00 60.24 H new ATOM 0 HE1 HIS A 45 11.705 -18.698 -6.708 1.00 5.41 H new ATOM 0 HE2 HIS A 45 13.981 -18.898 -5.583 1.00 3.42 H new ATOM 670 N GLY A 46 10.641 -12.812 -4.208 1.00 24.31 N ATOM 671 CA GLY A 46 9.214 -12.877 -3.954 1.00 1.03 C ATOM 672 C GLY A 46 8.839 -12.299 -2.604 1.00 31.35 C ATOM 673 O GLY A 46 7.679 -12.358 -2.195 1.00 33.14 O ATOM 0 H GLY A 46 11.057 -11.889 -4.085 1.00 24.31 H new ATOM 0 HA2 GLY A 46 8.684 -12.336 -4.738 1.00 1.03 H new ATOM 0 HA3 GLY A 46 8.886 -13.915 -4.005 1.00 1.03 H new ATOM 677 N THR A 47 9.823 -11.740 -1.907 1.00 2.25 N ATOM 678 CA THR A 47 9.591 -11.152 -0.593 1.00 44.23 C ATOM 679 C THR A 47 8.783 -9.864 -0.702 1.00 43.15 C ATOM 680 O THR A 47 9.148 -8.952 -1.445 1.00 34.53 O ATOM 681 CB THR A 47 10.918 -10.852 0.130 1.00 31.31 C ATOM 682 OG1 THR A 47 11.769 -12.003 0.090 1.00 72.44 O ATOM 683 CG2 THR A 47 10.667 -10.451 1.576 1.00 62.30 C ATOM 0 H THR A 47 10.789 -11.682 -2.230 1.00 2.25 H new ATOM 0 HA THR A 47 9.027 -11.884 -0.014 1.00 44.23 H new ATOM 0 HB THR A 47 11.406 -10.022 -0.382 1.00 31.31 H new ATOM 0 HG1 THR A 47 12.126 -12.114 -0.816 1.00 72.44 H new ATOM 0 HG21 THR A 47 11.618 -10.244 2.067 1.00 62.30 H new ATOM 0 HG22 THR A 47 10.043 -9.558 1.603 1.00 62.30 H new ATOM 0 HG23 THR A 47 10.160 -11.264 2.096 1.00 62.30 H new ATOM 691 N ALA A 48 7.685 -9.795 0.042 1.00 33.23 N ATOM 692 CA ALA A 48 6.826 -8.617 0.031 1.00 65.11 C ATOM 693 C ALA A 48 7.278 -7.599 1.072 1.00 43.40 C ATOM 694 O ALA A 48 6.999 -7.747 2.262 1.00 43.41 O ATOM 695 CB ALA A 48 5.379 -9.017 0.274 1.00 14.41 C ATOM 0 H ALA A 48 7.369 -10.542 0.661 1.00 33.23 H new ATOM 0 HA ALA A 48 6.902 -8.151 -0.951 1.00 65.11 H new ATOM 0 HB1 ALA A 48 4.749 -8.128 0.263 1.00 14.41 H new ATOM 0 HB2 ALA A 48 5.054 -9.701 -0.510 1.00 14.41 H new ATOM 0 HB3 ALA A 48 5.295 -9.509 1.243 1.00 14.41 H new ATOM 701 N VAL A 49 7.978 -6.565 0.617 1.00 45.54 N ATOM 702 CA VAL A 49 8.469 -5.521 1.509 1.00 51.12 C ATOM 703 C VAL A 49 7.713 -4.215 1.295 1.00 53.45 C ATOM 704 O VAL A 49 7.477 -3.802 0.159 1.00 4.25 O ATOM 705 CB VAL A 49 9.975 -5.269 1.304 1.00 34.21 C ATOM 706 CG1 VAL A 49 10.502 -4.303 2.354 1.00 41.25 C ATOM 707 CG2 VAL A 49 10.743 -6.581 1.341 1.00 25.31 C ATOM 0 H VAL A 49 8.218 -6.428 -0.365 1.00 45.54 H new ATOM 0 HA VAL A 49 8.302 -5.871 2.528 1.00 51.12 H new ATOM 0 HB VAL A 49 10.121 -4.816 0.323 1.00 34.21 H new ATOM 0 HG11 VAL A 49 11.567 -4.137 2.194 1.00 41.25 H new ATOM 0 HG12 VAL A 49 9.971 -3.354 2.275 1.00 41.25 H new ATOM 0 HG13 VAL A 49 10.346 -4.724 3.347 1.00 41.25 H new ATOM 0 HG21 VAL A 49 11.805 -6.385 1.195 1.00 25.31 H new ATOM 0 HG22 VAL A 49 10.593 -7.063 2.307 1.00 25.31 H new ATOM 0 HG23 VAL A 49 10.382 -7.236 0.548 1.00 25.31 H new ATOM 717 N GLU A 50 7.335 -3.569 2.393 1.00 10.43 N ATOM 718 CA GLU A 50 6.605 -2.308 2.325 1.00 73.43 C ATOM 719 C GLU A 50 7.564 -1.122 2.335 1.00 25.01 C ATOM 720 O GLU A 50 8.578 -1.135 3.035 1.00 12.34 O ATOM 721 CB GLU A 50 5.625 -2.196 3.495 1.00 25.42 C ATOM 722 CG GLU A 50 4.890 -0.868 3.548 1.00 11.04 C ATOM 723 CD GLU A 50 3.698 -0.898 4.486 1.00 63.13 C ATOM 724 OE1 GLU A 50 2.823 -1.770 4.306 1.00 61.42 O ATOM 725 OE2 GLU A 50 3.642 -0.049 5.400 1.00 55.24 O ATOM 0 H GLU A 50 7.522 -3.898 3.340 1.00 10.43 H new ATOM 0 HA GLU A 50 6.046 -2.292 1.390 1.00 73.43 H new ATOM 0 HB2 GLU A 50 4.895 -3.003 3.425 1.00 25.42 H new ATOM 0 HB3 GLU A 50 6.169 -2.338 4.429 1.00 25.42 H new ATOM 0 HG2 GLU A 50 5.580 -0.088 3.868 1.00 11.04 H new ATOM 0 HG3 GLU A 50 4.553 -0.603 2.546 1.00 11.04 H new ATOM 732 N LEU A 51 7.239 -0.098 1.554 1.00 73.44 N ATOM 733 CA LEU A 51 8.071 1.097 1.471 1.00 23.34 C ATOM 734 C LEU A 51 7.405 2.274 2.176 1.00 21.02 C ATOM 735 O LEU A 51 6.608 3.009 1.592 1.00 25.11 O ATOM 736 CB LEU A 51 8.345 1.452 0.009 1.00 62.31 C ATOM 737 CG LEU A 51 8.802 0.300 -0.887 1.00 42.02 C ATOM 738 CD1 LEU A 51 8.823 0.734 -2.345 1.00 31.43 C ATOM 739 CD2 LEU A 51 10.174 -0.198 -0.457 1.00 44.14 C ATOM 0 H LEU A 51 6.404 -0.071 0.969 1.00 73.44 H new ATOM 0 HA LEU A 51 9.017 0.886 1.970 1.00 23.34 H new ATOM 0 HB2 LEU A 51 7.437 1.879 -0.417 1.00 62.31 H new ATOM 0 HB3 LEU A 51 9.107 2.231 -0.018 1.00 62.31 H new ATOM 0 HG LEU A 51 8.091 -0.520 -0.783 1.00 42.02 H new ATOM 0 HD11 LEU A 51 9.151 -0.098 -2.968 1.00 31.43 H new ATOM 0 HD12 LEU A 51 7.822 1.042 -2.648 1.00 31.43 H new ATOM 0 HD13 LEU A 51 9.512 1.570 -2.466 1.00 31.43 H new ATOM 0 HD21 LEU A 51 10.483 -1.018 -1.106 1.00 44.14 H new ATOM 0 HD22 LEU A 51 10.896 0.615 -0.531 1.00 44.14 H new ATOM 0 HD23 LEU A 51 10.127 -0.549 0.574 1.00 44.14 H new ATOM 751 N PRO A 52 7.739 2.460 3.462 1.00 41.32 N ATOM 752 CA PRO A 52 7.187 3.549 4.273 1.00 33.14 C ATOM 753 C PRO A 52 7.704 4.916 3.839 1.00 21.11 C ATOM 754 O PRO A 52 8.725 5.016 3.159 1.00 43.22 O ATOM 755 CB PRO A 52 7.671 3.218 5.687 1.00 3.33 C ATOM 756 CG PRO A 52 8.905 2.408 5.485 1.00 32.32 C ATOM 757 CD PRO A 52 8.682 1.623 4.222 1.00 62.10 C ATOM 0 HA PRO A 52 6.103 3.615 4.183 1.00 33.14 H new ATOM 0 HB2 PRO A 52 7.881 4.124 6.256 1.00 3.33 H new ATOM 0 HB3 PRO A 52 6.918 2.660 6.243 1.00 3.33 H new ATOM 0 HG2 PRO A 52 9.782 3.049 5.397 1.00 32.32 H new ATOM 0 HG3 PRO A 52 9.079 1.744 6.332 1.00 32.32 H new ATOM 0 HD2 PRO A 52 9.612 1.468 3.676 1.00 62.10 H new ATOM 0 HD3 PRO A 52 8.267 0.637 4.430 1.00 62.10 H new ATOM 765 N ASP A 53 6.994 5.966 4.237 1.00 72.34 N ATOM 766 CA ASP A 53 7.383 7.328 3.889 1.00 35.34 C ATOM 767 C ASP A 53 7.447 7.505 2.376 1.00 53.44 C ATOM 768 O ASP A 53 8.168 8.366 1.871 1.00 24.30 O ATOM 769 CB ASP A 53 8.737 7.669 4.513 1.00 14.13 C ATOM 770 CG ASP A 53 8.674 7.745 6.026 1.00 23.32 C ATOM 771 OD1 ASP A 53 7.647 7.327 6.600 1.00 74.42 O ATOM 772 OD2 ASP A 53 9.654 8.221 6.637 1.00 53.22 O ATOM 0 H ASP A 53 6.146 5.900 4.801 1.00 72.34 H new ATOM 0 HA ASP A 53 6.628 8.008 4.284 1.00 35.34 H new ATOM 0 HB2 ASP A 53 9.469 6.916 4.220 1.00 14.13 H new ATOM 0 HB3 ASP A 53 9.086 8.623 4.118 1.00 14.13 H new ATOM 777 N VAL A 54 6.688 6.685 1.656 1.00 53.11 N ATOM 778 CA VAL A 54 6.658 6.751 0.200 1.00 42.33 C ATOM 779 C VAL A 54 5.301 7.233 -0.301 1.00 43.41 C ATOM 780 O VAL A 54 4.264 6.905 0.275 1.00 64.35 O ATOM 781 CB VAL A 54 6.968 5.381 -0.431 1.00 25.20 C ATOM 782 CG1 VAL A 54 6.862 5.454 -1.947 1.00 32.34 C ATOM 783 CG2 VAL A 54 8.348 4.900 -0.008 1.00 4.31 C ATOM 0 H VAL A 54 6.085 5.967 2.058 1.00 53.11 H new ATOM 0 HA VAL A 54 7.427 7.463 -0.100 1.00 42.33 H new ATOM 0 HB VAL A 54 6.231 4.661 -0.074 1.00 25.20 H new ATOM 0 HG11 VAL A 54 7.085 4.476 -2.375 1.00 32.34 H new ATOM 0 HG12 VAL A 54 5.851 5.751 -2.227 1.00 32.34 H new ATOM 0 HG13 VAL A 54 7.574 6.187 -2.327 1.00 32.34 H new ATOM 0 HG21 VAL A 54 8.551 3.930 -0.463 1.00 4.31 H new ATOM 0 HG22 VAL A 54 9.100 5.618 -0.335 1.00 4.31 H new ATOM 0 HG23 VAL A 54 8.384 4.806 1.077 1.00 4.31 H new