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 Set 1.1: A 1 MET CE :methyl -160:sc=-0.00484 (180deg=0) USER MOD Set 1.2: A 18 TYR OH : rot 180:sc=-0.000614 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 83:sc= -0.117 USER MOD Single : A 19 TYR OH : rot -47:sc= 0.806 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0594 F(o=-0.94,f=-0.059) USER MOD Single : A 45 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.7) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.851 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.582 -0.666 4.444 1.00 0.25 N ATOM 2 CA MET A 1 2.960 -1.716 3.506 1.00 75.03 C ATOM 3 C MET A 1 4.131 -2.531 4.044 1.00 21.11 C ATOM 4 O MET A 1 5.274 -2.074 4.038 1.00 1.51 O ATOM 5 CB MET A 1 3.325 -1.110 2.149 1.00 3.04 C ATOM 6 CG MET A 1 3.835 -2.131 1.145 1.00 14.00 C ATOM 7 SD MET A 1 3.202 -1.844 -0.519 1.00 10.22 S ATOM 8 CE MET A 1 2.489 -3.444 -0.891 1.00 20.32 C ATOM 0 H1 MET A 1 1.783 -0.125 4.056 1.00 0.25 H new ATOM 0 H2 MET A 1 2.303 -1.094 5.350 1.00 0.25 H new ATOM 0 H3 MET A 1 3.390 -0.029 4.596 1.00 0.25 H new ATOM 0 HA MET A 1 2.106 -2.381 3.381 1.00 75.03 H new ATOM 0 HB2 MET A 1 2.448 -0.612 1.735 1.00 3.04 H new ATOM 0 HB3 MET A 1 4.087 -0.344 2.295 1.00 3.04 H new ATOM 0 HG2 MET A 1 4.924 -2.103 1.125 1.00 14.00 H new ATOM 0 HG3 MET A 1 3.548 -3.131 1.471 1.00 14.00 H new ATOM 0 HE1 MET A 1 2.380 -3.552 -1.970 1.00 20.32 H new ATOM 0 HE2 MET A 1 3.142 -4.230 -0.512 1.00 20.32 H new ATOM 0 HE3 MET A 1 1.510 -3.525 -0.418 1.00 20.32 H new ATOM 18 N LYS A 2 3.840 -3.741 4.510 1.00 71.03 N ATOM 19 CA LYS A 2 4.869 -4.621 5.051 1.00 34.11 C ATOM 20 C LYS A 2 4.684 -6.049 4.547 1.00 52.21 C ATOM 21 O LYS A 2 3.567 -6.474 4.248 1.00 1.41 O ATOM 22 CB LYS A 2 4.833 -4.600 6.581 1.00 70.51 C ATOM 23 CG LYS A 2 3.478 -4.963 7.163 1.00 55.23 C ATOM 24 CD LYS A 2 3.282 -4.355 8.541 1.00 12.43 C ATOM 25 CE LYS A 2 3.850 -5.250 9.631 1.00 33.54 C ATOM 26 NZ LYS A 2 2.907 -6.344 9.998 1.00 44.23 N ATOM 0 H LYS A 2 2.899 -4.135 4.524 1.00 71.03 H new ATOM 0 HA LYS A 2 5.839 -4.258 4.711 1.00 34.11 H new ATOM 0 HB2 LYS A 2 5.581 -5.295 6.963 1.00 70.51 H new ATOM 0 HB3 LYS A 2 5.114 -3.606 6.929 1.00 70.51 H new ATOM 0 HG2 LYS A 2 2.689 -4.615 6.496 1.00 55.23 H new ATOM 0 HG3 LYS A 2 3.387 -6.047 7.226 1.00 55.23 H new ATOM 0 HD2 LYS A 2 3.766 -3.379 8.581 1.00 12.43 H new ATOM 0 HD3 LYS A 2 2.219 -4.192 8.720 1.00 12.43 H new ATOM 0 HE2 LYS A 2 4.792 -5.681 9.293 1.00 33.54 H new ATOM 0 HE3 LYS A 2 4.072 -4.651 10.514 1.00 33.54 H new ATOM 0 HZ1 LYS A 2 3.331 -6.932 10.744 1.00 44.23 H new ATOM 0 HZ2 LYS A 2 2.017 -5.933 10.345 1.00 44.23 H new ATOM 0 HZ3 LYS A 2 2.714 -6.931 9.162 1.00 44.23 H new ATOM 40 N THR A 3 5.786 -6.787 4.456 1.00 51.23 N ATOM 41 CA THR A 3 5.745 -8.167 3.988 1.00 1.43 C ATOM 42 C THR A 3 6.780 -9.022 4.710 1.00 71.31 C ATOM 43 O THR A 3 7.767 -8.508 5.236 1.00 22.43 O ATOM 44 CB THR A 3 5.992 -8.253 2.470 1.00 25.24 C ATOM 45 OG1 THR A 3 5.918 -9.616 2.039 1.00 60.52 O ATOM 46 CG2 THR A 3 7.353 -7.675 2.110 1.00 72.40 C ATOM 0 H THR A 3 6.718 -6.452 4.700 1.00 51.23 H new ATOM 0 HA THR A 3 4.747 -8.547 4.207 1.00 1.43 H new ATOM 0 HB THR A 3 5.222 -7.670 1.965 1.00 25.24 H new ATOM 0 HG1 THR A 3 6.074 -9.662 1.073 1.00 60.52 H new ATOM 0 HG21 THR A 3 7.505 -7.747 1.033 1.00 72.40 H new ATOM 0 HG22 THR A 3 7.396 -6.629 2.414 1.00 72.40 H new ATOM 0 HG23 THR A 3 8.134 -8.235 2.625 1.00 72.40 H new ATOM 54 N PHE A 4 6.548 -10.331 4.730 1.00 5.24 N ATOM 55 CA PHE A 4 7.461 -11.258 5.388 1.00 23.42 C ATOM 56 C PHE A 4 8.706 -11.491 4.537 1.00 24.45 C ATOM 57 O PHE A 4 8.615 -11.703 3.329 1.00 75.13 O ATOM 58 CB PHE A 4 6.760 -12.590 5.661 1.00 74.51 C ATOM 59 CG PHE A 4 5.398 -12.436 6.275 1.00 13.12 C ATOM 60 CD1 PHE A 4 5.260 -12.104 7.613 1.00 5.43 C ATOM 61 CD2 PHE A 4 4.255 -12.622 5.514 1.00 32.24 C ATOM 62 CE1 PHE A 4 4.008 -11.962 8.181 1.00 4.41 C ATOM 63 CE2 PHE A 4 3.000 -12.481 6.077 1.00 60.14 C ATOM 64 CZ PHE A 4 2.877 -12.149 7.412 1.00 71.34 C ATOM 0 H PHE A 4 5.736 -10.773 4.298 1.00 5.24 H new ATOM 0 HA PHE A 4 7.767 -10.816 6.336 1.00 23.42 H new ATOM 0 HB2 PHE A 4 6.668 -13.141 4.725 1.00 74.51 H new ATOM 0 HB3 PHE A 4 7.383 -13.190 6.324 1.00 74.51 H new ATOM 0 HD1 PHE A 4 6.141 -11.954 8.219 1.00 5.43 H new ATOM 0 HD2 PHE A 4 4.345 -12.880 4.469 1.00 32.24 H new ATOM 0 HE1 PHE A 4 3.915 -11.705 9.226 1.00 4.41 H new ATOM 0 HE2 PHE A 4 2.117 -12.630 5.473 1.00 60.14 H new ATOM 0 HZ PHE A 4 1.898 -12.036 7.853 1.00 71.34 H new ATOM 74 N ALA A 5 9.870 -11.450 5.178 1.00 11.04 N ATOM 75 CA ALA A 5 11.133 -11.658 4.482 1.00 5.21 C ATOM 76 C ALA A 5 11.461 -13.143 4.371 1.00 42.12 C ATOM 77 O ALA A 5 11.109 -13.934 5.247 1.00 60.24 O ATOM 78 CB ALA A 5 12.257 -10.919 5.195 1.00 34.41 C ATOM 0 H ALA A 5 9.964 -11.275 6.178 1.00 11.04 H new ATOM 0 HA ALA A 5 11.033 -11.258 3.473 1.00 5.21 H new ATOM 0 HB1 ALA A 5 13.195 -11.083 4.664 1.00 34.41 H new ATOM 0 HB2 ALA A 5 12.035 -9.852 5.217 1.00 34.41 H new ATOM 0 HB3 ALA A 5 12.348 -11.292 6.215 1.00 34.41 H new ATOM 84 N LEU A 6 12.136 -13.515 3.289 1.00 23.41 N ATOM 85 CA LEU A 6 12.511 -14.907 3.063 1.00 44.12 C ATOM 86 C LEU A 6 13.849 -14.999 2.336 1.00 50.05 C ATOM 87 O LEU A 6 14.488 -13.984 2.063 1.00 45.53 O ATOM 88 CB LEU A 6 11.428 -15.623 2.254 1.00 11.42 C ATOM 89 CG LEU A 6 9.985 -15.364 2.689 1.00 30.54 C ATOM 90 CD1 LEU A 6 9.015 -15.771 1.591 1.00 63.32 C ATOM 91 CD2 LEU A 6 9.676 -16.110 3.979 1.00 15.14 C ATOM 0 H LEU A 6 12.435 -12.873 2.555 1.00 23.41 H new ATOM 0 HA LEU A 6 12.611 -15.393 4.034 1.00 44.12 H new ATOM 0 HB2 LEU A 6 11.530 -15.330 1.209 1.00 11.42 H new ATOM 0 HB3 LEU A 6 11.615 -16.696 2.304 1.00 11.42 H new ATOM 0 HG LEU A 6 9.867 -14.296 2.872 1.00 30.54 H new ATOM 0 HD11 LEU A 6 7.993 -15.579 1.919 1.00 63.32 H new ATOM 0 HD12 LEU A 6 9.222 -15.193 0.690 1.00 63.32 H new ATOM 0 HD13 LEU A 6 9.134 -16.833 1.376 1.00 63.32 H new ATOM 0 HD21 LEU A 6 8.645 -15.915 4.274 1.00 15.14 H new ATOM 0 HD22 LEU A 6 9.812 -17.180 3.822 1.00 15.14 H new ATOM 0 HD23 LEU A 6 10.349 -15.770 4.766 1.00 15.14 H new ATOM 103 N GLN A 7 14.264 -16.222 2.023 1.00 32.41 N ATOM 104 CA GLN A 7 15.525 -16.446 1.326 1.00 73.12 C ATOM 105 C GLN A 7 15.600 -15.607 0.054 1.00 31.52 C ATOM 106 O GLN A 7 14.713 -15.671 -0.796 1.00 42.53 O ATOM 107 CB GLN A 7 15.687 -17.928 0.984 1.00 73.23 C ATOM 108 CG GLN A 7 16.807 -18.611 1.751 1.00 45.20 C ATOM 109 CD GLN A 7 17.083 -20.016 1.255 1.00 72.54 C ATOM 110 OE1 GLN A 7 17.432 -20.219 0.091 1.00 31.22 O ATOM 111 NE2 GLN A 7 16.927 -20.997 2.136 1.00 21.13 N ATOM 0 H GLN A 7 13.746 -17.073 2.241 1.00 32.41 H new ATOM 0 HA GLN A 7 16.336 -16.143 1.988 1.00 73.12 H new ATOM 0 HB2 GLN A 7 14.749 -18.444 1.190 1.00 73.23 H new ATOM 0 HB3 GLN A 7 15.877 -18.027 -0.085 1.00 73.23 H new ATOM 0 HG2 GLN A 7 17.716 -18.015 1.666 1.00 45.20 H new ATOM 0 HG3 GLN A 7 16.547 -18.648 2.809 1.00 45.20 H new ATOM 0 HE21 GLN A 7 16.636 -20.784 3.090 1.00 21.13 H new ATOM 0 HE22 GLN A 7 17.098 -21.964 1.859 1.00 21.13 H new ATOM 120 N GLY A 8 16.665 -14.821 -0.068 1.00 62.24 N ATOM 121 CA GLY A 8 16.836 -13.981 -1.239 1.00 50.30 C ATOM 122 C GLY A 8 15.756 -12.924 -1.356 1.00 53.24 C ATOM 123 O GLY A 8 15.508 -12.398 -2.442 1.00 10.45 O ATOM 0 H GLY A 8 17.412 -14.751 0.623 1.00 62.24 H new ATOM 0 HA2 GLY A 8 17.811 -13.496 -1.196 1.00 50.30 H new ATOM 0 HA3 GLY A 8 16.829 -14.604 -2.133 1.00 50.30 H new ATOM 127 N ASP A 9 15.110 -12.613 -0.238 1.00 21.32 N ATOM 128 CA ASP A 9 14.050 -11.613 -0.220 1.00 15.43 C ATOM 129 C ASP A 9 14.330 -10.542 0.830 1.00 24.02 C ATOM 130 O ASP A 9 13.414 -9.884 1.323 1.00 55.32 O ATOM 131 CB ASP A 9 12.699 -12.275 0.058 1.00 40.32 C ATOM 132 CG ASP A 9 12.072 -12.857 -1.194 1.00 12.04 C ATOM 133 OD1 ASP A 9 12.475 -13.968 -1.598 1.00 12.01 O ATOM 134 OD2 ASP A 9 11.177 -12.202 -1.768 1.00 63.22 O ATOM 0 H ASP A 9 15.302 -13.040 0.668 1.00 21.32 H new ATOM 0 HA ASP A 9 14.018 -11.137 -1.200 1.00 15.43 H new ATOM 0 HB2 ASP A 9 12.830 -13.066 0.797 1.00 40.32 H new ATOM 0 HB3 ASP A 9 12.021 -11.541 0.493 1.00 40.32 H new ATOM 139 N THR A 10 15.605 -10.373 1.170 1.00 34.30 N ATOM 140 CA THR A 10 16.006 -9.385 2.163 1.00 44.12 C ATOM 141 C THR A 10 15.894 -7.970 1.607 1.00 63.03 C ATOM 142 O THR A 10 15.527 -7.775 0.447 1.00 4.11 O ATOM 143 CB THR A 10 17.451 -9.624 2.640 1.00 3.43 C ATOM 144 OG1 THR A 10 18.377 -9.103 1.680 1.00 60.45 O ATOM 145 CG2 THR A 10 17.713 -11.107 2.853 1.00 40.03 C ATOM 0 H THR A 10 16.377 -10.908 0.772 1.00 34.30 H new ATOM 0 HA THR A 10 15.328 -9.494 3.010 1.00 44.12 H new ATOM 0 HB THR A 10 17.586 -9.108 3.591 1.00 3.43 H new ATOM 0 HG1 THR A 10 19.293 -9.258 1.992 1.00 60.45 H new ATOM 0 HG21 THR A 10 18.740 -11.250 3.190 1.00 40.03 H new ATOM 0 HG22 THR A 10 17.027 -11.493 3.607 1.00 40.03 H new ATOM 0 HG23 THR A 10 17.560 -11.642 1.916 1.00 40.03 H new ATOM 153 N LEU A 11 16.213 -6.985 2.439 1.00 33.24 N ATOM 154 CA LEU A 11 16.148 -5.586 2.030 1.00 25.42 C ATOM 155 C LEU A 11 16.873 -5.373 0.705 1.00 10.11 C ATOM 156 O LEU A 11 16.392 -4.649 -0.167 1.00 61.21 O ATOM 157 CB LEU A 11 16.760 -4.690 3.109 1.00 73.51 C ATOM 158 CG LEU A 11 16.101 -4.755 4.487 1.00 12.53 C ATOM 159 CD1 LEU A 11 16.786 -3.798 5.451 1.00 34.12 C ATOM 160 CD2 LEU A 11 14.616 -4.438 4.384 1.00 71.12 C ATOM 0 H LEU A 11 16.519 -7.129 3.401 1.00 33.24 H new ATOM 0 HA LEU A 11 15.099 -5.320 1.897 1.00 25.42 H new ATOM 0 HB2 LEU A 11 17.812 -4.954 3.218 1.00 73.51 H new ATOM 0 HB3 LEU A 11 16.725 -3.658 2.760 1.00 73.51 H new ATOM 0 HG LEU A 11 16.210 -5.768 4.873 1.00 12.53 H new ATOM 0 HD11 LEU A 11 16.304 -3.857 6.427 1.00 34.12 H new ATOM 0 HD12 LEU A 11 17.837 -4.070 5.548 1.00 34.12 H new ATOM 0 HD13 LEU A 11 16.709 -2.780 5.070 1.00 34.12 H new ATOM 0 HD21 LEU A 11 14.164 -4.489 5.374 1.00 71.12 H new ATOM 0 HD22 LEU A 11 14.485 -3.435 3.977 1.00 71.12 H new ATOM 0 HD23 LEU A 11 14.134 -5.162 3.727 1.00 71.12 H new ATOM 172 N ASP A 12 18.030 -6.009 0.560 1.00 3.35 N ATOM 173 CA ASP A 12 18.820 -5.891 -0.660 1.00 20.22 C ATOM 174 C ASP A 12 17.982 -6.241 -1.885 1.00 54.55 C ATOM 175 O ASP A 12 18.133 -5.635 -2.946 1.00 61.53 O ATOM 176 CB ASP A 12 20.046 -6.803 -0.589 1.00 3.51 C ATOM 177 CG ASP A 12 21.124 -6.253 0.326 1.00 75.43 C ATOM 178 OD1 ASP A 12 20.779 -5.771 1.425 1.00 60.33 O ATOM 179 OD2 ASP A 12 22.311 -6.305 -0.058 1.00 21.11 O ATOM 0 H ASP A 12 18.442 -6.612 1.272 1.00 3.35 H new ATOM 0 HA ASP A 12 19.151 -4.856 -0.751 1.00 20.22 H new ATOM 0 HB2 ASP A 12 19.742 -7.789 -0.236 1.00 3.51 H new ATOM 0 HB3 ASP A 12 20.456 -6.935 -1.590 1.00 3.51 H new ATOM 184 N ALA A 13 17.098 -7.221 -1.732 1.00 31.24 N ATOM 185 CA ALA A 13 16.235 -7.650 -2.825 1.00 71.31 C ATOM 186 C ALA A 13 14.954 -6.824 -2.871 1.00 4.51 C ATOM 187 O ALA A 13 14.619 -6.238 -3.901 1.00 60.31 O ATOM 188 CB ALA A 13 15.906 -9.130 -2.688 1.00 52.53 C ATOM 0 H ALA A 13 16.961 -7.733 -0.861 1.00 31.24 H new ATOM 0 HA ALA A 13 16.771 -7.493 -3.761 1.00 71.31 H new ATOM 0 HB1 ALA A 13 15.261 -9.437 -3.511 1.00 52.53 H new ATOM 0 HB2 ALA A 13 16.828 -9.711 -2.713 1.00 52.53 H new ATOM 0 HB3 ALA A 13 15.394 -9.303 -1.741 1.00 52.53 H new ATOM 194 N ILE A 14 14.243 -6.780 -1.749 1.00 62.54 N ATOM 195 CA ILE A 14 13.000 -6.025 -1.663 1.00 12.24 C ATOM 196 C ILE A 14 13.186 -4.600 -2.173 1.00 13.11 C ATOM 197 O ILE A 14 12.417 -4.124 -3.009 1.00 51.12 O ATOM 198 CB ILE A 14 12.471 -5.975 -0.217 1.00 72.40 C ATOM 199 CG1 ILE A 14 12.232 -7.392 0.311 1.00 45.34 C ATOM 200 CG2 ILE A 14 11.190 -5.157 -0.149 1.00 43.33 C ATOM 201 CD1 ILE A 14 11.951 -7.444 1.796 1.00 50.30 C ATOM 0 H ILE A 14 14.507 -7.258 -0.888 1.00 62.54 H new ATOM 0 HA ILE A 14 12.273 -6.541 -2.290 1.00 12.24 H new ATOM 0 HB ILE A 14 13.220 -5.494 0.411 1.00 72.40 H new ATOM 0 HG12 ILE A 14 11.392 -7.834 -0.225 1.00 45.34 H new ATOM 0 HG13 ILE A 14 13.107 -8.005 0.093 1.00 45.34 H new ATOM 0 HG21 ILE A 14 10.829 -5.131 0.879 1.00 43.33 H new ATOM 0 HG22 ILE A 14 11.389 -4.141 -0.489 1.00 43.33 H new ATOM 0 HG23 ILE A 14 10.433 -5.612 -0.788 1.00 43.33 H new ATOM 0 HD11 ILE A 14 11.792 -8.479 2.100 1.00 50.30 H new ATOM 0 HD12 ILE A 14 12.800 -7.032 2.342 1.00 50.30 H new ATOM 0 HD13 ILE A 14 11.059 -6.859 2.018 1.00 50.30 H new ATOM 213 N CYS A 15 14.211 -3.925 -1.666 1.00 22.02 N ATOM 214 CA CYS A 15 14.500 -2.554 -2.071 1.00 54.21 C ATOM 215 C CYS A 15 14.657 -2.456 -3.585 1.00 54.20 C ATOM 216 O CYS A 15 14.399 -1.409 -4.180 1.00 63.31 O ATOM 217 CB CYS A 15 15.769 -2.052 -1.381 1.00 31.20 C ATOM 218 SG CYS A 15 15.568 -1.724 0.386 1.00 40.13 S ATOM 0 H CYS A 15 14.856 -4.305 -0.973 1.00 22.02 H new ATOM 0 HA CYS A 15 13.660 -1.928 -1.770 1.00 54.21 H new ATOM 0 HB2 CYS A 15 16.559 -2.791 -1.515 1.00 31.20 H new ATOM 0 HB3 CYS A 15 16.100 -1.138 -1.874 1.00 31.20 H new ATOM 0 HG CYS A 15 15.690 -2.835 1.050 1.00 40.13 H new ATOM 224 N VAL A 16 15.082 -3.553 -4.203 1.00 25.12 N ATOM 225 CA VAL A 16 15.275 -3.591 -5.648 1.00 32.24 C ATOM 226 C VAL A 16 13.979 -3.953 -6.365 1.00 42.41 C ATOM 227 O VAL A 16 13.752 -3.541 -7.503 1.00 64.42 O ATOM 228 CB VAL A 16 16.367 -4.603 -6.042 1.00 33.41 C ATOM 229 CG1 VAL A 16 16.474 -4.711 -7.555 1.00 41.44 C ATOM 230 CG2 VAL A 16 17.703 -4.210 -5.431 1.00 1.11 C ATOM 0 H VAL A 16 15.299 -4.428 -3.726 1.00 25.12 H new ATOM 0 HA VAL A 16 15.589 -2.593 -5.952 1.00 32.24 H new ATOM 0 HB VAL A 16 16.089 -5.582 -5.651 1.00 33.41 H new ATOM 0 HG11 VAL A 16 17.251 -5.431 -7.814 1.00 41.44 H new ATOM 0 HG12 VAL A 16 15.520 -5.043 -7.964 1.00 41.44 H new ATOM 0 HG13 VAL A 16 16.728 -3.737 -7.972 1.00 41.44 H new ATOM 0 HG21 VAL A 16 18.463 -4.936 -5.720 1.00 1.11 H new ATOM 0 HG22 VAL A 16 17.991 -3.222 -5.790 1.00 1.11 H new ATOM 0 HG23 VAL A 16 17.615 -4.190 -4.345 1.00 1.11 H new ATOM 240 N ARG A 17 13.132 -4.724 -5.692 1.00 14.31 N ATOM 241 CA ARG A 17 11.858 -5.141 -6.266 1.00 20.45 C ATOM 242 C ARG A 17 10.781 -4.087 -6.025 1.00 25.33 C ATOM 243 O ARG A 17 9.702 -4.141 -6.615 1.00 22.31 O ATOM 244 CB ARG A 17 11.419 -6.480 -5.668 1.00 5.54 C ATOM 245 CG ARG A 17 10.496 -6.337 -4.468 1.00 65.44 C ATOM 246 CD ARG A 17 10.193 -7.687 -3.836 1.00 4.42 C ATOM 247 NE ARG A 17 8.911 -7.688 -3.137 1.00 51.21 N ATOM 248 CZ ARG A 17 8.539 -8.636 -2.285 1.00 24.35 C ATOM 249 NH1 ARG A 17 9.349 -9.654 -2.026 1.00 73.33 N ATOM 250 NH2 ARG A 17 7.356 -8.567 -1.688 1.00 22.42 N ATOM 0 H ARG A 17 13.304 -5.073 -4.749 1.00 14.31 H new ATOM 0 HA ARG A 17 11.994 -5.257 -7.341 1.00 20.45 H new ATOM 0 HB2 ARG A 17 10.913 -7.064 -6.437 1.00 5.54 H new ATOM 0 HB3 ARG A 17 12.304 -7.043 -5.370 1.00 5.54 H new ATOM 0 HG2 ARG A 17 10.957 -5.683 -3.728 1.00 65.44 H new ATOM 0 HG3 ARG A 17 9.565 -5.862 -4.778 1.00 65.44 H new ATOM 0 HD2 ARG A 17 10.185 -8.456 -4.609 1.00 4.42 H new ATOM 0 HD3 ARG A 17 10.988 -7.946 -3.136 1.00 4.42 H new ATOM 0 HE ARG A 17 8.266 -6.918 -3.313 1.00 51.21 H new ATOM 0 HH11 ARG A 17 10.260 -9.710 -2.482 1.00 73.33 H new ATOM 0 HH12 ARG A 17 9.061 -10.381 -1.371 1.00 73.33 H new ATOM 0 HH21 ARG A 17 6.731 -7.785 -1.883 1.00 22.42 H new ATOM 0 HH22 ARG A 17 7.072 -9.296 -1.034 1.00 22.42 H new ATOM 264 N TYR A 18 11.082 -3.130 -5.154 1.00 64.22 N ATOM 265 CA TYR A 18 10.140 -2.065 -4.833 1.00 33.21 C ATOM 266 C TYR A 18 10.591 -0.738 -5.436 1.00 34.31 C ATOM 267 O TYR A 18 9.899 -0.156 -6.272 1.00 32.23 O ATOM 268 CB TYR A 18 9.993 -1.926 -3.317 1.00 1.43 C ATOM 269 CG TYR A 18 8.810 -2.678 -2.751 1.00 12.10 C ATOM 270 CD1 TYR A 18 7.554 -2.088 -2.685 1.00 34.24 C ATOM 271 CD2 TYR A 18 8.948 -3.979 -2.284 1.00 22.14 C ATOM 272 CE1 TYR A 18 6.470 -2.772 -2.168 1.00 1.43 C ATOM 273 CE2 TYR A 18 7.870 -4.671 -1.766 1.00 52.25 C ATOM 274 CZ TYR A 18 6.633 -4.063 -1.710 1.00 41.42 C ATOM 275 OH TYR A 18 5.556 -4.747 -1.196 1.00 30.31 O ATOM 0 H TYR A 18 11.971 -3.070 -4.658 1.00 64.22 H new ATOM 0 HA TYR A 18 9.173 -2.328 -5.263 1.00 33.21 H new ATOM 0 HB2 TYR A 18 10.904 -2.285 -2.838 1.00 1.43 H new ATOM 0 HB3 TYR A 18 9.895 -0.870 -3.065 1.00 1.43 H new ATOM 0 HD1 TYR A 18 7.422 -1.078 -3.044 1.00 34.24 H new ATOM 0 HD2 TYR A 18 9.915 -4.458 -2.327 1.00 22.14 H new ATOM 0 HE1 TYR A 18 5.500 -2.298 -2.123 1.00 1.43 H new ATOM 0 HE2 TYR A 18 7.995 -5.682 -1.407 1.00 52.25 H new ATOM 0 HH TYR A 18 5.840 -5.643 -0.919 1.00 30.31 H new ATOM 285 N TYR A 19 11.756 -0.266 -5.006 1.00 75.41 N ATOM 286 CA TYR A 19 12.300 0.992 -5.501 1.00 53.51 C ATOM 287 C TYR A 19 13.235 0.755 -6.683 1.00 32.42 C ATOM 288 O TYR A 19 13.288 1.553 -7.617 1.00 62.25 O ATOM 289 CB TYR A 19 13.047 1.723 -4.384 1.00 52.53 C ATOM 290 CG TYR A 19 12.349 1.658 -3.045 1.00 35.12 C ATOM 291 CD1 TYR A 19 11.356 2.571 -2.711 1.00 1.11 C ATOM 292 CD2 TYR A 19 12.681 0.682 -2.113 1.00 73.24 C ATOM 293 CE1 TYR A 19 10.716 2.515 -1.488 1.00 2.30 C ATOM 294 CE2 TYR A 19 12.045 0.617 -0.889 1.00 10.45 C ATOM 295 CZ TYR A 19 11.064 1.537 -0.580 1.00 71.43 C ATOM 296 OH TYR A 19 10.428 1.477 0.638 1.00 32.24 O ATOM 0 H TYR A 19 12.341 -0.736 -4.316 1.00 75.41 H new ATOM 0 HA TYR A 19 11.468 1.610 -5.838 1.00 53.51 H new ATOM 0 HB2 TYR A 19 14.045 1.295 -4.285 1.00 52.53 H new ATOM 0 HB3 TYR A 19 13.175 2.768 -4.667 1.00 52.53 H new ATOM 0 HD1 TYR A 19 11.080 3.338 -3.420 1.00 1.11 H new ATOM 0 HD2 TYR A 19 13.450 -0.038 -2.350 1.00 73.24 H new ATOM 0 HE1 TYR A 19 9.947 3.233 -1.244 1.00 2.30 H new ATOM 0 HE2 TYR A 19 12.314 -0.150 -0.177 1.00 10.45 H new ATOM 0 HH TYR A 19 10.397 2.372 1.035 1.00 32.24 H new ATOM 306 N GLY A 20 13.971 -0.352 -6.633 1.00 41.53 N ATOM 307 CA GLY A 20 14.894 -0.677 -7.705 1.00 2.32 C ATOM 308 C GLY A 20 16.303 -0.193 -7.423 1.00 20.40 C ATOM 309 O GLY A 20 17.087 0.027 -8.346 1.00 41.01 O ATOM 0 H GLY A 20 13.944 -1.029 -5.870 1.00 41.53 H new ATOM 0 HA2 GLY A 20 14.907 -1.757 -7.854 1.00 2.32 H new ATOM 0 HA3 GLY A 20 14.539 -0.231 -8.634 1.00 2.32 H new ATOM 313 N ARG A 21 16.625 -0.027 -6.144 1.00 40.34 N ATOM 314 CA ARG A 21 17.948 0.437 -5.744 1.00 21.41 C ATOM 315 C ARG A 21 18.175 0.209 -4.252 1.00 65.34 C ATOM 316 O ARG A 21 17.230 -0.012 -3.495 1.00 73.11 O ATOM 317 CB ARG A 21 18.114 1.921 -6.075 1.00 31.01 C ATOM 318 CG ARG A 21 17.197 2.830 -5.272 1.00 44.04 C ATOM 319 CD ARG A 21 15.930 3.165 -6.044 1.00 5.12 C ATOM 320 NE ARG A 21 15.497 4.541 -5.814 1.00 22.34 N ATOM 321 CZ ARG A 21 14.290 4.994 -6.133 1.00 42.21 C ATOM 322 NH1 ARG A 21 13.401 4.185 -6.693 1.00 3.41 N ATOM 323 NH2 ARG A 21 13.970 6.259 -5.892 1.00 43.31 N ATOM 0 H ARG A 21 15.988 -0.207 -5.368 1.00 40.34 H new ATOM 0 HA ARG A 21 18.690 -0.137 -6.299 1.00 21.41 H new ATOM 0 HB2 ARG A 21 19.149 2.211 -5.894 1.00 31.01 H new ATOM 0 HB3 ARG A 21 17.922 2.071 -7.137 1.00 31.01 H new ATOM 0 HG2 ARG A 21 16.934 2.345 -4.332 1.00 44.04 H new ATOM 0 HG3 ARG A 21 17.725 3.750 -5.020 1.00 44.04 H new ATOM 0 HD2 ARG A 21 16.104 3.013 -7.109 1.00 5.12 H new ATOM 0 HD3 ARG A 21 15.134 2.481 -5.750 1.00 5.12 H new ATOM 0 HE ARG A 21 16.158 5.189 -5.385 1.00 22.34 H new ATOM 0 HH11 ARG A 21 13.643 3.212 -6.880 1.00 3.41 H new ATOM 0 HH12 ARG A 21 12.475 4.536 -6.937 1.00 3.41 H new ATOM 0 HH21 ARG A 21 14.651 6.884 -5.461 1.00 43.31 H new ATOM 0 HH22 ARG A 21 13.043 6.606 -6.137 1.00 43.31 H new ATOM 337 N THR A 22 19.437 0.263 -3.836 1.00 50.11 N ATOM 338 CA THR A 22 19.789 0.061 -2.436 1.00 43.14 C ATOM 339 C THR A 22 20.460 1.300 -1.854 1.00 62.20 C ATOM 340 O THR A 22 20.371 1.559 -0.654 1.00 75.44 O ATOM 341 CB THR A 22 20.729 -1.147 -2.262 1.00 74.33 C ATOM 342 OG1 THR A 22 21.548 -1.302 -3.426 1.00 62.42 O ATOM 343 CG2 THR A 22 19.933 -2.421 -2.023 1.00 34.40 C ATOM 0 H THR A 22 20.232 0.445 -4.449 1.00 50.11 H new ATOM 0 HA THR A 22 18.859 -0.131 -1.901 1.00 43.14 H new ATOM 0 HB THR A 22 21.363 -0.965 -1.394 1.00 74.33 H new ATOM 0 HG1 THR A 22 22.144 -2.071 -3.307 1.00 62.42 H new ATOM 0 HG21 THR A 22 20.618 -3.261 -1.903 1.00 34.40 H new ATOM 0 HG22 THR A 22 19.332 -2.311 -1.120 1.00 34.40 H new ATOM 0 HG23 THR A 22 19.278 -2.606 -2.874 1.00 34.40 H new ATOM 351 N GLU A 23 21.132 2.062 -2.712 1.00 15.14 N ATOM 352 CA GLU A 23 21.818 3.274 -2.280 1.00 54.31 C ATOM 353 C GLU A 23 20.817 4.377 -1.948 1.00 15.10 C ATOM 354 O GLU A 23 20.132 4.896 -2.829 1.00 64.53 O ATOM 355 CB GLU A 23 22.782 3.756 -3.367 1.00 35.45 C ATOM 356 CG GLU A 23 23.825 4.738 -2.862 1.00 65.24 C ATOM 357 CD GLU A 23 23.283 6.147 -2.726 1.00 52.22 C ATOM 358 OE1 GLU A 23 22.437 6.541 -3.556 1.00 64.14 O ATOM 359 OE2 GLU A 23 23.704 6.856 -1.788 1.00 41.33 O ATOM 0 H GLU A 23 21.216 1.862 -3.709 1.00 15.14 H new ATOM 0 HA GLU A 23 22.385 3.038 -1.379 1.00 54.31 H new ATOM 0 HB2 GLU A 23 23.287 2.893 -3.801 1.00 35.45 H new ATOM 0 HB3 GLU A 23 22.209 4.226 -4.167 1.00 35.45 H new ATOM 0 HG2 GLU A 23 24.197 4.401 -1.894 1.00 65.24 H new ATOM 0 HG3 GLU A 23 24.674 4.744 -3.546 1.00 65.24 H new ATOM 366 N GLY A 24 20.737 4.730 -0.669 1.00 14.35 N ATOM 367 CA GLY A 24 19.817 5.768 -0.242 1.00 13.44 C ATOM 368 C GLY A 24 18.518 5.205 0.300 1.00 54.14 C ATOM 369 O GLY A 24 17.777 5.895 1.000 1.00 1.50 O ATOM 0 H GLY A 24 21.293 4.316 0.079 1.00 14.35 H new ATOM 0 HA2 GLY A 24 20.293 6.378 0.526 1.00 13.44 H new ATOM 0 HA3 GLY A 24 19.601 6.426 -1.084 1.00 13.44 H new ATOM 373 N VAL A 25 18.238 3.947 -0.027 1.00 4.13 N ATOM 374 CA VAL A 25 17.019 3.291 0.431 1.00 42.21 C ATOM 375 C VAL A 25 17.287 2.427 1.658 1.00 4.31 C ATOM 376 O VAL A 25 16.504 2.419 2.608 1.00 24.00 O ATOM 377 CB VAL A 25 16.404 2.415 -0.676 1.00 62.51 C ATOM 378 CG1 VAL A 25 15.038 1.899 -0.252 1.00 34.25 C ATOM 379 CG2 VAL A 25 16.308 3.193 -1.980 1.00 21.33 C ATOM 0 H VAL A 25 18.839 3.362 -0.607 1.00 4.13 H new ATOM 0 HA VAL A 25 16.314 4.080 0.693 1.00 42.21 H new ATOM 0 HB VAL A 25 17.055 1.556 -0.839 1.00 62.51 H new ATOM 0 HG11 VAL A 25 14.619 1.282 -1.047 1.00 34.25 H new ATOM 0 HG12 VAL A 25 15.140 1.303 0.655 1.00 34.25 H new ATOM 0 HG13 VAL A 25 14.374 2.742 -0.059 1.00 34.25 H new ATOM 0 HG21 VAL A 25 15.871 2.558 -2.751 1.00 21.33 H new ATOM 0 HG22 VAL A 25 15.680 4.072 -1.834 1.00 21.33 H new ATOM 0 HG23 VAL A 25 17.304 3.507 -2.290 1.00 21.33 H new ATOM 389 N VAL A 26 18.400 1.701 1.632 1.00 62.32 N ATOM 390 CA VAL A 26 18.774 0.834 2.743 1.00 74.30 C ATOM 391 C VAL A 26 18.807 1.607 4.056 1.00 12.14 C ATOM 392 O VAL A 26 18.610 1.036 5.129 1.00 44.54 O ATOM 393 CB VAL A 26 20.149 0.182 2.509 1.00 43.03 C ATOM 394 CG1 VAL A 26 20.093 -0.774 1.327 1.00 22.32 C ATOM 395 CG2 VAL A 26 21.213 1.248 2.293 1.00 63.44 C ATOM 0 H VAL A 26 19.059 1.696 0.853 1.00 62.32 H new ATOM 0 HA VAL A 26 18.016 0.053 2.803 1.00 74.30 H new ATOM 0 HB VAL A 26 20.416 -0.392 3.397 1.00 43.03 H new ATOM 0 HG11 VAL A 26 21.074 -1.225 1.177 1.00 22.32 H new ATOM 0 HG12 VAL A 26 19.360 -1.556 1.526 1.00 22.32 H new ATOM 0 HG13 VAL A 26 19.804 -0.227 0.430 1.00 22.32 H new ATOM 0 HG21 VAL A 26 22.179 0.770 2.129 1.00 63.44 H new ATOM 0 HG22 VAL A 26 20.953 1.850 1.422 1.00 63.44 H new ATOM 0 HG23 VAL A 26 21.270 1.889 3.173 1.00 63.44 H new ATOM 405 N GLU A 27 19.056 2.910 3.964 1.00 63.43 N ATOM 406 CA GLU A 27 19.115 3.761 5.146 1.00 44.42 C ATOM 407 C GLU A 27 17.716 4.034 5.691 1.00 62.52 C ATOM 408 O GLU A 27 17.528 4.204 6.896 1.00 65.11 O ATOM 409 CB GLU A 27 19.812 5.083 4.815 1.00 12.01 C ATOM 410 CG GLU A 27 21.327 4.977 4.764 1.00 73.30 C ATOM 411 CD GLU A 27 21.930 4.595 6.102 1.00 61.03 C ATOM 412 OE1 GLU A 27 22.062 5.485 6.968 1.00 45.23 O ATOM 413 OE2 GLU A 27 22.270 3.407 6.283 1.00 41.24 O ATOM 0 H GLU A 27 19.220 3.398 3.084 1.00 63.43 H new ATOM 0 HA GLU A 27 19.688 3.237 5.911 1.00 44.42 H new ATOM 0 HB2 GLU A 27 19.449 5.444 3.853 1.00 12.01 H new ATOM 0 HB3 GLU A 27 19.533 5.827 5.561 1.00 12.01 H new ATOM 0 HG2 GLU A 27 21.611 4.236 4.017 1.00 73.30 H new ATOM 0 HG3 GLU A 27 21.744 5.931 4.441 1.00 73.30 H new ATOM 420 N THR A 28 16.736 4.074 4.794 1.00 74.30 N ATOM 421 CA THR A 28 15.354 4.327 5.183 1.00 60.30 C ATOM 422 C THR A 28 14.792 3.169 6.000 1.00 72.35 C ATOM 423 O THR A 28 14.435 3.334 7.166 1.00 10.01 O ATOM 424 CB THR A 28 14.457 4.555 3.952 1.00 13.31 C ATOM 425 OG1 THR A 28 15.239 5.055 2.861 1.00 31.45 O ATOM 426 CG2 THR A 28 13.339 5.536 4.272 1.00 51.40 C ATOM 0 H THR A 28 16.874 3.934 3.793 1.00 74.30 H new ATOM 0 HA THR A 28 15.358 5.230 5.793 1.00 60.30 H new ATOM 0 HB THR A 28 14.013 3.600 3.672 1.00 13.31 H new ATOM 0 HG1 THR A 28 14.661 5.196 2.082 1.00 31.45 H new ATOM 0 HG21 THR A 28 12.718 5.682 3.388 1.00 51.40 H new ATOM 0 HG22 THR A 28 12.728 5.139 5.083 1.00 51.40 H new ATOM 0 HG23 THR A 28 13.768 6.491 4.575 1.00 51.40 H new ATOM 434 N VAL A 29 14.716 1.995 5.379 1.00 10.35 N ATOM 435 CA VAL A 29 14.199 0.808 6.050 1.00 54.51 C ATOM 436 C VAL A 29 14.910 0.574 7.378 1.00 74.41 C ATOM 437 O VAL A 29 14.333 0.017 8.314 1.00 50.54 O ATOM 438 CB VAL A 29 14.352 -0.446 5.169 1.00 44.40 C ATOM 439 CG1 VAL A 29 13.787 -1.668 5.876 1.00 1.23 C ATOM 440 CG2 VAL A 29 13.674 -0.237 3.823 1.00 24.22 C ATOM 0 H VAL A 29 15.006 1.841 4.413 1.00 10.35 H new ATOM 0 HA VAL A 29 13.140 0.985 6.235 1.00 54.51 H new ATOM 0 HB VAL A 29 15.414 -0.617 4.993 1.00 44.40 H new ATOM 0 HG11 VAL A 29 13.904 -2.544 5.238 1.00 1.23 H new ATOM 0 HG12 VAL A 29 14.322 -1.827 6.812 1.00 1.23 H new ATOM 0 HG13 VAL A 29 12.729 -1.510 6.085 1.00 1.23 H new ATOM 0 HG21 VAL A 29 13.792 -1.133 3.213 1.00 24.22 H new ATOM 0 HG22 VAL A 29 12.613 -0.040 3.977 1.00 24.22 H new ATOM 0 HG23 VAL A 29 14.131 0.611 3.313 1.00 24.22 H new ATOM 450 N LEU A 30 16.165 1.001 7.454 1.00 20.10 N ATOM 451 CA LEU A 30 16.956 0.838 8.669 1.00 44.03 C ATOM 452 C LEU A 30 16.401 1.697 9.800 1.00 51.42 C ATOM 453 O LEU A 30 16.258 1.235 10.931 1.00 32.12 O ATOM 454 CB LEU A 30 18.417 1.207 8.403 1.00 71.23 C ATOM 455 CG LEU A 30 19.311 0.078 7.887 1.00 11.53 C ATOM 456 CD1 LEU A 30 20.694 0.608 7.543 1.00 42.41 C ATOM 457 CD2 LEU A 30 19.407 -1.038 8.916 1.00 33.44 C ATOM 0 H LEU A 30 16.657 1.463 6.689 1.00 20.10 H new ATOM 0 HA LEU A 30 16.900 -0.208 8.971 1.00 44.03 H new ATOM 0 HB2 LEU A 30 18.439 2.021 7.679 1.00 71.23 H new ATOM 0 HB3 LEU A 30 18.848 1.591 9.328 1.00 71.23 H new ATOM 0 HG LEU A 30 18.864 -0.328 6.980 1.00 11.53 H new ATOM 0 HD11 LEU A 30 21.316 -0.209 7.178 1.00 42.41 H new ATOM 0 HD12 LEU A 30 20.609 1.373 6.771 1.00 42.41 H new ATOM 0 HD13 LEU A 30 21.150 1.041 8.434 1.00 42.41 H new ATOM 0 HD21 LEU A 30 20.047 -1.833 8.532 1.00 33.44 H new ATOM 0 HD22 LEU A 30 19.831 -0.645 9.840 1.00 33.44 H new ATOM 0 HD23 LEU A 30 18.412 -1.437 9.114 1.00 33.44 H new ATOM 469 N ALA A 31 16.088 2.950 9.485 1.00 13.13 N ATOM 470 CA ALA A 31 15.544 3.873 10.474 1.00 73.21 C ATOM 471 C ALA A 31 14.185 3.399 10.978 1.00 73.21 C ATOM 472 O ALA A 31 13.851 3.573 12.150 1.00 45.34 O ATOM 473 CB ALA A 31 15.432 5.271 9.885 1.00 10.42 C ATOM 0 H ALA A 31 16.202 3.349 8.553 1.00 13.13 H new ATOM 0 HA ALA A 31 16.227 3.902 11.323 1.00 73.21 H new ATOM 0 HB1 ALA A 31 15.024 5.950 10.634 1.00 10.42 H new ATOM 0 HB2 ALA A 31 16.419 5.618 9.580 1.00 10.42 H new ATOM 0 HB3 ALA A 31 14.772 5.249 9.018 1.00 10.42 H new ATOM 479 N ALA A 32 13.404 2.799 10.085 1.00 11.31 N ATOM 480 CA ALA A 32 12.082 2.299 10.440 1.00 14.23 C ATOM 481 C ALA A 32 12.175 0.944 11.133 1.00 61.35 C ATOM 482 O ALA A 32 11.307 0.580 11.924 1.00 32.52 O ATOM 483 CB ALA A 32 11.204 2.202 9.201 1.00 32.13 C ATOM 0 H ALA A 32 13.664 2.648 9.111 1.00 11.31 H new ATOM 0 HA ALA A 32 11.630 3.004 11.138 1.00 14.23 H new ATOM 0 HB1 ALA A 32 10.220 1.827 9.481 1.00 32.13 H new ATOM 0 HB2 ALA A 32 11.102 3.189 8.749 1.00 32.13 H new ATOM 0 HB3 ALA A 32 11.661 1.520 8.484 1.00 32.13 H new ATOM 489 N ASN A 33 13.234 0.201 10.828 1.00 60.42 N ATOM 490 CA ASN A 33 13.440 -1.116 11.420 1.00 32.13 C ATOM 491 C ASN A 33 14.887 -1.290 11.871 1.00 41.32 C ATOM 492 O ASN A 33 15.674 -2.006 11.252 1.00 22.43 O ATOM 493 CB ASN A 33 13.071 -2.212 10.419 1.00 73.32 C ATOM 494 CG ASN A 33 11.629 -2.662 10.559 1.00 23.23 C ATOM 495 OD1 ASN A 33 10.698 -1.786 10.200 1.00 4.53 O flip ATOM 496 ND2 ASN A 33 11.356 -3.785 10.985 1.00 5.22 N flip ATOM 0 H ASN A 33 13.963 0.488 10.175 1.00 60.42 H new ATOM 0 HA ASN A 33 12.793 -1.199 12.294 1.00 32.13 H new ATOM 0 HB2 ASN A 33 13.238 -1.846 9.406 1.00 73.32 H new ATOM 0 HB3 ASN A 33 13.731 -3.068 10.561 1.00 73.32 H new ATOM 0 HD21 ASN A 33 12.104 -4.426 11.249 1.00 5.22 H new ATOM 0 HD22 ASN A 33 10.382 -4.074 11.073 1.00 5.22 H new ATOM 503 N PRO A 34 15.248 -0.619 12.975 1.00 54.21 N ATOM 504 CA PRO A 34 16.601 -0.684 13.534 1.00 42.40 C ATOM 505 C PRO A 34 16.913 -2.047 14.142 1.00 14.20 C ATOM 506 O PRO A 34 16.029 -2.715 14.678 1.00 4.43 O ATOM 507 CB PRO A 34 16.589 0.396 14.619 1.00 33.23 C ATOM 508 CG PRO A 34 15.157 0.523 15.010 1.00 12.33 C ATOM 509 CD PRO A 34 14.361 0.254 13.763 1.00 44.21 C ATOM 0 HA PRO A 34 17.365 -0.533 12.771 1.00 42.40 H new ATOM 0 HB2 PRO A 34 17.208 0.110 15.469 1.00 33.23 H new ATOM 0 HB3 PRO A 34 16.982 1.340 14.242 1.00 33.23 H new ATOM 0 HG2 PRO A 34 14.903 -0.188 15.796 1.00 12.33 H new ATOM 0 HG3 PRO A 34 14.946 1.519 15.400 1.00 12.33 H new ATOM 0 HD2 PRO A 34 13.413 -0.234 13.989 1.00 44.21 H new ATOM 0 HD3 PRO A 34 14.126 1.175 13.230 1.00 44.21 H new ATOM 517 N GLY A 35 18.175 -2.454 14.055 1.00 24.20 N ATOM 518 CA GLY A 35 18.581 -3.736 14.601 1.00 35.14 C ATOM 519 C GLY A 35 18.511 -4.851 13.577 1.00 73.20 C ATOM 520 O GLY A 35 19.134 -5.900 13.746 1.00 3.11 O ATOM 0 H GLY A 35 18.924 -1.919 13.616 1.00 24.20 H new ATOM 0 HA2 GLY A 35 19.600 -3.659 14.981 1.00 35.14 H new ATOM 0 HA3 GLY A 35 17.943 -3.985 15.449 1.00 35.14 H new ATOM 524 N LEU A 36 17.749 -4.627 12.512 1.00 10.10 N ATOM 525 CA LEU A 36 17.598 -5.622 11.456 1.00 21.11 C ATOM 526 C LEU A 36 18.921 -5.853 10.732 1.00 13.21 C ATOM 527 O LEU A 36 19.204 -6.959 10.273 1.00 54.10 O ATOM 528 CB LEU A 36 16.528 -5.177 10.458 1.00 40.13 C ATOM 529 CG LEU A 36 15.723 -6.295 9.794 1.00 14.52 C ATOM 530 CD1 LEU A 36 16.630 -7.181 8.956 1.00 61.22 C ATOM 531 CD2 LEU A 36 14.990 -7.118 10.843 1.00 75.42 C ATOM 0 H LEU A 36 17.226 -3.765 12.357 1.00 10.10 H new ATOM 0 HA LEU A 36 17.289 -6.560 11.916 1.00 21.11 H new ATOM 0 HB2 LEU A 36 15.834 -4.513 10.972 1.00 40.13 H new ATOM 0 HB3 LEU A 36 17.010 -4.590 9.676 1.00 40.13 H new ATOM 0 HG LEU A 36 14.983 -5.842 9.134 1.00 14.52 H new ATOM 0 HD11 LEU A 36 16.039 -7.971 8.492 1.00 61.22 H new ATOM 0 HD12 LEU A 36 17.109 -6.582 8.181 1.00 61.22 H new ATOM 0 HD13 LEU A 36 17.394 -7.627 9.594 1.00 61.22 H new ATOM 0 HD21 LEU A 36 14.422 -7.909 10.353 1.00 75.42 H new ATOM 0 HD22 LEU A 36 15.713 -7.561 11.528 1.00 75.42 H new ATOM 0 HD23 LEU A 36 14.309 -6.474 11.400 1.00 75.42 H new ATOM 543 N ALA A 37 19.728 -4.801 10.636 1.00 31.41 N ATOM 544 CA ALA A 37 21.023 -4.890 9.972 1.00 35.52 C ATOM 545 C ALA A 37 21.955 -5.842 10.713 1.00 23.25 C ATOM 546 O ALA A 37 22.789 -6.510 10.102 1.00 11.50 O ATOM 547 CB ALA A 37 21.654 -3.511 9.859 1.00 12.35 C ATOM 0 H ALA A 37 19.508 -3.878 11.009 1.00 31.41 H new ATOM 0 HA ALA A 37 20.863 -5.287 8.969 1.00 35.52 H new ATOM 0 HB1 ALA A 37 22.620 -3.593 9.361 1.00 12.35 H new ATOM 0 HB2 ALA A 37 21.001 -2.859 9.279 1.00 12.35 H new ATOM 0 HB3 ALA A 37 21.793 -3.092 10.856 1.00 12.35 H new ATOM 553 N GLU A 38 21.809 -5.898 12.034 1.00 71.44 N ATOM 554 CA GLU A 38 22.641 -6.768 12.857 1.00 35.03 C ATOM 555 C GLU A 38 22.007 -8.149 13.003 1.00 53.51 C ATOM 556 O GLU A 38 22.453 -8.968 13.807 1.00 4.31 O ATOM 557 CB GLU A 38 22.856 -6.146 14.238 1.00 4.44 C ATOM 558 CG GLU A 38 23.409 -4.731 14.189 1.00 63.22 C ATOM 559 CD GLU A 38 23.914 -4.255 15.537 1.00 43.31 C ATOM 560 OE1 GLU A 38 23.270 -4.575 16.558 1.00 65.40 O ATOM 561 OE2 GLU A 38 24.952 -3.561 15.571 1.00 22.41 O ATOM 0 H GLU A 38 21.123 -5.352 12.556 1.00 71.44 H new ATOM 0 HA GLU A 38 23.605 -6.880 12.362 1.00 35.03 H new ATOM 0 HB2 GLU A 38 21.908 -6.138 14.775 1.00 4.44 H new ATOM 0 HB3 GLU A 38 23.540 -6.775 14.808 1.00 4.44 H new ATOM 0 HG2 GLU A 38 24.222 -4.688 13.465 1.00 63.22 H new ATOM 0 HG3 GLU A 38 22.632 -4.053 13.836 1.00 63.22 H new ATOM 568 N LEU A 39 20.963 -8.399 12.220 1.00 21.22 N ATOM 569 CA LEU A 39 20.266 -9.680 12.261 1.00 22.12 C ATOM 570 C LEU A 39 21.169 -10.807 11.770 1.00 70.20 C ATOM 571 O LEU A 39 21.197 -11.892 12.350 1.00 1.54 O ATOM 572 CB LEU A 39 18.997 -9.620 11.410 1.00 71.04 C ATOM 573 CG LEU A 39 18.055 -10.819 11.523 1.00 12.04 C ATOM 574 CD1 LEU A 39 17.719 -11.097 12.980 1.00 35.12 C ATOM 575 CD2 LEU A 39 16.786 -10.579 10.718 1.00 44.12 C ATOM 0 H LEU A 39 20.581 -7.732 11.550 1.00 21.22 H new ATOM 0 HA LEU A 39 19.992 -9.884 13.296 1.00 22.12 H new ATOM 0 HB2 LEU A 39 18.443 -8.722 11.682 1.00 71.04 H new ATOM 0 HB3 LEU A 39 19.289 -9.510 10.366 1.00 71.04 H new ATOM 0 HG LEU A 39 18.560 -11.694 11.114 1.00 12.04 H new ATOM 0 HD11 LEU A 39 17.048 -11.953 13.042 1.00 35.12 H new ATOM 0 HD12 LEU A 39 18.635 -11.314 13.530 1.00 35.12 H new ATOM 0 HD13 LEU A 39 17.233 -10.223 13.414 1.00 35.12 H new ATOM 0 HD21 LEU A 39 16.128 -11.443 10.810 1.00 44.12 H new ATOM 0 HD22 LEU A 39 16.277 -9.693 11.097 1.00 44.12 H new ATOM 0 HD23 LEU A 39 17.043 -10.429 9.669 1.00 44.12 H new ATOM 587 N GLY A 40 21.908 -10.542 10.697 1.00 40.21 N ATOM 588 CA GLY A 40 22.804 -11.543 10.147 1.00 54.50 C ATOM 589 C GLY A 40 22.986 -11.397 8.649 1.00 4.33 C ATOM 590 O GLY A 40 22.597 -10.386 8.065 1.00 34.12 O ATOM 0 H GLY A 40 21.902 -9.652 10.199 1.00 40.21 H new ATOM 0 HA2 GLY A 40 23.775 -11.466 10.637 1.00 54.50 H new ATOM 0 HA3 GLY A 40 22.413 -12.536 10.367 1.00 54.50 H new ATOM 594 N ALA A 41 23.583 -12.408 8.026 1.00 14.13 N ATOM 595 CA ALA A 41 23.816 -12.388 6.588 1.00 41.24 C ATOM 596 C ALA A 41 22.505 -12.253 5.821 1.00 41.25 C ATOM 597 O ALA A 41 22.273 -11.255 5.138 1.00 3.43 O ATOM 598 CB ALA A 41 24.556 -13.645 6.155 1.00 34.34 C ATOM 0 H ALA A 41 23.914 -13.251 8.495 1.00 14.13 H new ATOM 0 HA ALA A 41 24.433 -11.519 6.357 1.00 41.24 H new ATOM 0 HB1 ALA A 41 24.723 -13.616 5.078 1.00 34.34 H new ATOM 0 HB2 ALA A 41 25.515 -13.698 6.670 1.00 34.34 H new ATOM 0 HB3 ALA A 41 23.960 -14.523 6.406 1.00 34.34 H new ATOM 604 N VAL A 42 21.650 -13.264 5.936 1.00 22.11 N ATOM 605 CA VAL A 42 20.362 -13.258 5.254 1.00 52.04 C ATOM 606 C VAL A 42 19.211 -13.297 6.252 1.00 34.14 C ATOM 607 O VAL A 42 19.255 -14.033 7.239 1.00 72.30 O ATOM 608 CB VAL A 42 20.232 -14.452 4.290 1.00 75.23 C ATOM 609 CG1 VAL A 42 20.170 -15.760 5.065 1.00 40.35 C ATOM 610 CG2 VAL A 42 19.006 -14.290 3.404 1.00 52.14 C ATOM 0 H VAL A 42 21.827 -14.098 6.496 1.00 22.11 H new ATOM 0 HA VAL A 42 20.311 -12.331 4.682 1.00 52.04 H new ATOM 0 HB VAL A 42 21.114 -14.478 3.650 1.00 75.23 H new ATOM 0 HG11 VAL A 42 20.078 -16.592 4.367 1.00 40.35 H new ATOM 0 HG12 VAL A 42 21.080 -15.878 5.653 1.00 40.35 H new ATOM 0 HG13 VAL A 42 19.307 -15.748 5.731 1.00 40.35 H new ATOM 0 HG21 VAL A 42 18.930 -15.143 2.729 1.00 52.14 H new ATOM 0 HG22 VAL A 42 18.112 -14.238 4.026 1.00 52.14 H new ATOM 0 HG23 VAL A 42 19.097 -13.373 2.822 1.00 52.14 H new ATOM 620 N LEU A 43 18.180 -12.501 5.990 1.00 2.33 N ATOM 621 CA LEU A 43 17.015 -12.444 6.866 1.00 31.02 C ATOM 622 C LEU A 43 16.338 -13.808 6.961 1.00 51.44 C ATOM 623 O LEU A 43 16.521 -14.679 6.110 1.00 32.14 O ATOM 624 CB LEU A 43 16.019 -11.402 6.355 1.00 12.45 C ATOM 625 CG LEU A 43 16.251 -9.965 6.825 1.00 50.13 C ATOM 626 CD1 LEU A 43 17.684 -9.538 6.548 1.00 22.12 C ATOM 627 CD2 LEU A 43 15.271 -9.018 6.148 1.00 14.12 C ATOM 0 H LEU A 43 18.127 -11.886 5.178 1.00 2.33 H new ATOM 0 HA LEU A 43 17.353 -12.157 7.862 1.00 31.02 H new ATOM 0 HB2 LEU A 43 16.038 -11.414 5.265 1.00 12.45 H new ATOM 0 HB3 LEU A 43 15.018 -11.706 6.660 1.00 12.45 H new ATOM 0 HG LEU A 43 16.082 -9.923 7.901 1.00 50.13 H new ATOM 0 HD11 LEU A 43 17.831 -8.513 6.889 1.00 22.12 H new ATOM 0 HD12 LEU A 43 18.370 -10.199 7.079 1.00 22.12 H new ATOM 0 HD13 LEU A 43 17.880 -9.596 5.477 1.00 22.12 H new ATOM 0 HD21 LEU A 43 15.451 -8.000 6.494 1.00 14.12 H new ATOM 0 HD22 LEU A 43 15.408 -9.063 5.068 1.00 14.12 H new ATOM 0 HD23 LEU A 43 14.251 -9.311 6.397 1.00 14.12 H new ATOM 639 N PRO A 44 15.535 -13.998 8.018 1.00 52.21 N ATOM 640 CA PRO A 44 14.812 -15.252 8.247 1.00 33.22 C ATOM 641 C PRO A 44 13.693 -15.470 7.234 1.00 12.13 C ATOM 642 O PRO A 44 13.560 -14.716 6.270 1.00 72.14 O ATOM 643 CB PRO A 44 14.233 -15.076 9.653 1.00 22.25 C ATOM 644 CG PRO A 44 14.123 -13.602 9.836 1.00 53.22 C ATOM 645 CD PRO A 44 15.270 -13.003 9.071 1.00 43.23 C ATOM 0 HA PRO A 44 15.462 -16.121 8.144 1.00 33.22 H new ATOM 0 HB2 PRO A 44 13.260 -15.560 9.744 1.00 22.25 H new ATOM 0 HB3 PRO A 44 14.882 -15.521 10.407 1.00 22.25 H new ATOM 0 HG2 PRO A 44 13.169 -13.232 9.461 1.00 53.22 H new ATOM 0 HG3 PRO A 44 14.176 -13.335 10.891 1.00 53.22 H new ATOM 0 HD2 PRO A 44 15.009 -12.032 8.650 1.00 43.23 H new ATOM 0 HD3 PRO A 44 16.141 -12.850 9.708 1.00 43.23 H new ATOM 653 N HIS A 45 12.890 -16.505 7.460 1.00 52.13 N ATOM 654 CA HIS A 45 11.781 -16.821 6.566 1.00 12.25 C ATOM 655 C HIS A 45 10.453 -16.795 7.318 1.00 24.23 C ATOM 656 O HIS A 45 9.983 -17.824 7.802 1.00 13.31 O ATOM 657 CB HIS A 45 11.990 -18.193 5.924 1.00 2.55 C ATOM 658 CG HIS A 45 12.400 -19.254 6.899 1.00 41.42 C ATOM 659 ND1 HIS A 45 11.529 -20.204 7.387 1.00 34.03 N ATOM 660 CD2 HIS A 45 13.598 -19.512 7.474 1.00 34.14 C ATOM 661 CE1 HIS A 45 12.172 -21.000 8.223 1.00 71.15 C ATOM 662 NE2 HIS A 45 13.429 -20.602 8.293 1.00 43.03 N ATOM 0 H HIS A 45 12.986 -17.139 8.254 1.00 52.13 H new ATOM 0 HA HIS A 45 11.751 -16.063 5.783 1.00 12.25 H new ATOM 0 HB2 HIS A 45 11.067 -18.500 5.433 1.00 2.55 H new ATOM 0 HB3 HIS A 45 12.751 -18.110 5.148 1.00 2.55 H new ATOM 0 HD2 HIS A 45 14.515 -18.964 7.318 1.00 34.14 H new ATOM 0 HE1 HIS A 45 11.743 -21.834 8.758 1.00 71.15 H new ATOM 0 HE2 HIS A 45 14.157 -21.034 8.863 1.00 43.03 H new ATOM 670 N GLY A 46 9.855 -15.612 7.413 1.00 52.41 N ATOM 671 CA GLY A 46 8.588 -15.474 8.108 1.00 62.32 C ATOM 672 C GLY A 46 8.495 -14.181 8.893 1.00 50.01 C ATOM 673 O GLY A 46 7.412 -13.785 9.326 1.00 4.23 O ATOM 0 H GLY A 46 10.225 -14.746 7.021 1.00 52.41 H new ATOM 0 HA2 GLY A 46 7.774 -15.515 7.384 1.00 62.32 H new ATOM 0 HA3 GLY A 46 8.455 -16.317 8.786 1.00 62.32 H new ATOM 677 N THR A 47 9.633 -13.520 9.079 1.00 3.02 N ATOM 678 CA THR A 47 9.676 -12.266 9.820 1.00 44.41 C ATOM 679 C THR A 47 9.138 -11.113 8.981 1.00 55.32 C ATOM 680 O THR A 47 9.609 -10.867 7.871 1.00 73.42 O ATOM 681 CB THR A 47 11.110 -11.930 10.273 1.00 13.31 C ATOM 682 OG1 THR A 47 11.609 -12.965 11.128 1.00 54.42 O ATOM 683 CG2 THR A 47 11.147 -10.597 11.006 1.00 22.33 C ATOM 0 H THR A 47 10.538 -13.833 8.726 1.00 3.02 H new ATOM 0 HA THR A 47 9.046 -12.397 10.700 1.00 44.41 H new ATOM 0 HB THR A 47 11.740 -11.857 9.387 1.00 13.31 H new ATOM 0 HG1 THR A 47 12.247 -12.583 11.766 1.00 54.42 H new ATOM 0 HG21 THR A 47 12.169 -10.381 11.316 1.00 22.33 H new ATOM 0 HG22 THR A 47 10.794 -9.807 10.343 1.00 22.33 H new ATOM 0 HG23 THR A 47 10.504 -10.647 11.885 1.00 22.33 H new ATOM 691 N ALA A 48 8.148 -10.408 9.519 1.00 53.54 N ATOM 692 CA ALA A 48 7.547 -9.278 8.820 1.00 72.32 C ATOM 693 C ALA A 48 8.544 -8.135 8.666 1.00 54.43 C ATOM 694 O ALA A 48 9.477 -8.001 9.457 1.00 42.51 O ATOM 695 CB ALA A 48 6.304 -8.802 9.557 1.00 21.02 C ATOM 0 H ALA A 48 7.745 -10.599 10.436 1.00 53.54 H new ATOM 0 HA ALA A 48 7.259 -9.611 7.823 1.00 72.32 H new ATOM 0 HB1 ALA A 48 5.866 -7.958 9.024 1.00 21.02 H new ATOM 0 HB2 ALA A 48 5.579 -9.614 9.610 1.00 21.02 H new ATOM 0 HB3 ALA A 48 6.576 -8.492 10.566 1.00 21.02 H new ATOM 701 N VAL A 49 8.340 -7.312 7.641 1.00 30.24 N ATOM 702 CA VAL A 49 9.221 -6.179 7.384 1.00 71.33 C ATOM 703 C VAL A 49 8.437 -4.981 6.861 1.00 34.01 C ATOM 704 O VAL A 49 7.620 -5.111 5.950 1.00 63.33 O ATOM 705 CB VAL A 49 10.320 -6.543 6.367 1.00 13.43 C ATOM 706 CG1 VAL A 49 11.248 -5.359 6.138 1.00 34.31 C ATOM 707 CG2 VAL A 49 11.101 -7.759 6.840 1.00 73.51 C ATOM 0 H VAL A 49 7.573 -7.409 6.976 1.00 30.24 H new ATOM 0 HA VAL A 49 9.687 -5.918 8.334 1.00 71.33 H new ATOM 0 HB VAL A 49 9.845 -6.791 5.418 1.00 13.43 H new ATOM 0 HG11 VAL A 49 12.018 -5.634 5.417 1.00 34.31 H new ATOM 0 HG12 VAL A 49 10.674 -4.516 5.752 1.00 34.31 H new ATOM 0 HG13 VAL A 49 11.718 -5.077 7.080 1.00 34.31 H new ATOM 0 HG21 VAL A 49 11.873 -8.002 6.110 1.00 73.51 H new ATOM 0 HG22 VAL A 49 11.566 -7.541 7.801 1.00 73.51 H new ATOM 0 HG23 VAL A 49 10.424 -8.607 6.948 1.00 73.51 H new ATOM 717 N GLU A 50 8.691 -3.814 7.445 1.00 71.01 N ATOM 718 CA GLU A 50 8.008 -2.592 7.038 1.00 55.05 C ATOM 719 C GLU A 50 8.795 -1.865 5.951 1.00 13.21 C ATOM 720 O GLU A 50 10.018 -1.747 6.028 1.00 24.52 O ATOM 721 CB GLU A 50 7.806 -1.669 8.241 1.00 54.31 C ATOM 722 CG GLU A 50 7.064 -0.386 7.906 1.00 14.20 C ATOM 723 CD GLU A 50 5.558 -0.562 7.920 1.00 74.21 C ATOM 724 OE1 GLU A 50 5.057 -1.322 8.775 1.00 75.13 O ATOM 725 OE2 GLU A 50 4.880 0.060 7.075 1.00 2.43 O ATOM 0 H GLU A 50 9.364 -3.689 8.201 1.00 71.01 H new ATOM 0 HA GLU A 50 7.034 -2.868 6.634 1.00 55.05 H new ATOM 0 HB2 GLU A 50 7.255 -2.207 9.012 1.00 54.31 H new ATOM 0 HB3 GLU A 50 8.779 -1.417 8.662 1.00 54.31 H new ATOM 0 HG2 GLU A 50 7.342 0.388 8.622 1.00 14.20 H new ATOM 0 HG3 GLU A 50 7.376 -0.037 6.922 1.00 14.20 H new ATOM 732 N LEU A 51 8.084 -1.379 4.939 1.00 3.33 N ATOM 733 CA LEU A 51 8.715 -0.663 3.836 1.00 42.03 C ATOM 734 C LEU A 51 8.262 0.793 3.801 1.00 1.12 C ATOM 735 O LEU A 51 7.240 1.137 3.206 1.00 24.04 O ATOM 736 CB LEU A 51 8.385 -1.343 2.506 1.00 65.31 C ATOM 737 CG LEU A 51 8.874 -2.784 2.350 1.00 50.24 C ATOM 738 CD1 LEU A 51 8.169 -3.463 1.186 1.00 33.31 C ATOM 739 CD2 LEU A 51 10.383 -2.817 2.154 1.00 73.00 C ATOM 0 H LEU A 51 7.071 -1.468 4.860 1.00 3.33 H new ATOM 0 HA LEU A 51 9.794 -0.685 3.991 1.00 42.03 H new ATOM 0 HB2 LEU A 51 7.303 -1.331 2.373 1.00 65.31 H new ATOM 0 HB3 LEU A 51 8.812 -0.746 1.700 1.00 65.31 H new ATOM 0 HG LEU A 51 8.634 -3.330 3.262 1.00 50.24 H new ATOM 0 HD11 LEU A 51 8.529 -4.487 1.090 1.00 33.31 H new ATOM 0 HD12 LEU A 51 7.094 -3.472 1.367 1.00 33.31 H new ATOM 0 HD13 LEU A 51 8.378 -2.917 0.266 1.00 33.31 H new ATOM 0 HD21 LEU A 51 10.713 -3.850 2.045 1.00 73.00 H new ATOM 0 HD22 LEU A 51 10.646 -2.255 1.258 1.00 73.00 H new ATOM 0 HD23 LEU A 51 10.872 -2.369 3.019 1.00 73.00 H new ATOM 751 N PRO A 52 9.040 1.671 4.452 1.00 60.21 N ATOM 752 CA PRO A 52 8.740 3.105 4.508 1.00 22.41 C ATOM 753 C PRO A 52 8.928 3.789 3.159 1.00 41.43 C ATOM 754 O PRO A 52 9.692 3.320 2.315 1.00 40.32 O ATOM 755 CB PRO A 52 9.752 3.639 5.524 1.00 4.05 C ATOM 756 CG PRO A 52 10.885 2.673 5.475 1.00 62.21 C ATOM 757 CD PRO A 52 10.273 1.331 5.183 1.00 54.15 C ATOM 0 HA PRO A 52 7.702 3.294 4.780 1.00 22.41 H new ATOM 0 HB2 PRO A 52 10.079 4.646 5.265 1.00 4.05 H new ATOM 0 HB3 PRO A 52 9.320 3.691 6.523 1.00 4.05 H new ATOM 0 HG2 PRO A 52 11.602 2.951 4.703 1.00 62.21 H new ATOM 0 HG3 PRO A 52 11.426 2.658 6.421 1.00 62.21 H new ATOM 0 HD2 PRO A 52 10.937 0.708 4.584 1.00 54.15 H new ATOM 0 HD3 PRO A 52 10.059 0.779 6.098 1.00 54.15 H new ATOM 765 N ASP A 53 8.227 4.901 2.962 1.00 64.31 N ATOM 766 CA ASP A 53 8.318 5.651 1.715 1.00 44.31 C ATOM 767 C ASP A 53 7.811 4.819 0.541 1.00 12.15 C ATOM 768 O ASP A 53 8.418 4.802 -0.529 1.00 72.44 O ATOM 769 CB ASP A 53 9.763 6.086 1.461 1.00 54.22 C ATOM 770 CG ASP A 53 9.848 7.376 0.669 1.00 11.31 C ATOM 771 OD1 ASP A 53 8.785 7.961 0.373 1.00 44.41 O ATOM 772 OD2 ASP A 53 10.977 7.800 0.345 1.00 42.31 O ATOM 0 H ASP A 53 7.590 5.302 3.650 1.00 64.31 H new ATOM 0 HA ASP A 53 7.690 6.537 1.807 1.00 44.31 H new ATOM 0 HB2 ASP A 53 10.274 6.215 2.415 1.00 54.22 H new ATOM 0 HB3 ASP A 53 10.288 5.297 0.922 1.00 54.22 H new ATOM 777 N VAL A 54 6.694 4.129 0.751 1.00 0.20 N ATOM 778 CA VAL A 54 6.104 3.295 -0.289 1.00 24.40 C ATOM 779 C VAL A 54 4.668 3.713 -0.580 1.00 74.24 C ATOM 780 O VAL A 54 3.925 4.090 0.326 1.00 44.12 O ATOM 781 CB VAL A 54 6.124 1.806 0.107 1.00 1.43 C ATOM 782 CG1 VAL A 54 5.439 0.961 -0.956 1.00 10.51 C ATOM 783 CG2 VAL A 54 7.552 1.335 0.336 1.00 43.21 C ATOM 0 H VAL A 54 6.180 4.131 1.632 1.00 0.20 H new ATOM 0 HA VAL A 54 6.708 3.433 -1.186 1.00 24.40 H new ATOM 0 HB VAL A 54 5.573 1.689 1.040 1.00 1.43 H new ATOM 0 HG11 VAL A 54 5.463 -0.087 -0.659 1.00 10.51 H new ATOM 0 HG12 VAL A 54 4.404 1.283 -1.066 1.00 10.51 H new ATOM 0 HG13 VAL A 54 5.959 1.081 -1.907 1.00 10.51 H new ATOM 0 HG21 VAL A 54 7.547 0.281 0.615 1.00 43.21 H new ATOM 0 HG22 VAL A 54 8.129 1.466 -0.579 1.00 43.21 H new ATOM 0 HG23 VAL A 54 8.004 1.920 1.137 1.00 43.21 H new