USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 153:sc= -0.404 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.584 (180deg=-0.62) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= -0.032 (180deg=-0.482) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 83:sc= -0.086 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -58:sc= 0.579 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 33 ASN : amide:sc= -0.974 K(o=-0.97,f=-0.16) USER MOD Single : A 45 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.094) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.743 USER MOD Single : A 55 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.8) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.672 -0.836 3.503 1.00 43.22 N ATOM 2 CA MET A 1 1.792 -2.035 2.681 1.00 13.24 C ATOM 3 C MET A 1 2.962 -2.897 3.145 1.00 52.15 C ATOM 4 O MET A 1 4.117 -2.474 3.092 1.00 70.12 O ATOM 5 CB MET A 1 1.973 -1.655 1.211 1.00 65.35 C ATOM 6 CG MET A 1 0.903 -0.709 0.690 1.00 23.52 C ATOM 7 SD MET A 1 -0.760 -1.385 0.856 1.00 54.43 S ATOM 8 CE MET A 1 -1.430 -0.326 2.136 1.00 25.03 C ATOM 0 H1 MET A 1 0.803 -0.326 3.248 1.00 43.22 H new ATOM 0 H2 MET A 1 1.633 -1.106 4.507 1.00 43.22 H new ATOM 0 H3 MET A 1 2.495 -0.221 3.342 1.00 43.22 H new ATOM 0 HA MET A 1 0.874 -2.613 2.788 1.00 13.24 H new ATOM 0 HB2 MET A 1 2.951 -1.190 1.082 1.00 65.35 H new ATOM 0 HB3 MET A 1 1.969 -2.562 0.607 1.00 65.35 H new ATOM 0 HG2 MET A 1 0.963 0.235 1.231 1.00 23.52 H new ATOM 0 HG3 MET A 1 1.098 -0.488 -0.359 1.00 23.52 H new ATOM 0 HE1 MET A 1 -2.513 -0.268 2.030 1.00 25.03 H new ATOM 0 HE2 MET A 1 -1.183 -0.737 3.115 1.00 25.03 H new ATOM 0 HE3 MET A 1 -1.002 0.672 2.043 1.00 25.03 H new ATOM 18 N LYS A 2 2.656 -4.107 3.599 1.00 73.43 N ATOM 19 CA LYS A 2 3.681 -5.030 4.071 1.00 64.15 C ATOM 20 C LYS A 2 3.456 -6.429 3.507 1.00 75.32 C ATOM 21 O LYS A 2 2.323 -6.819 3.218 1.00 4.20 O ATOM 22 CB LYS A 2 3.687 -5.080 5.600 1.00 3.31 C ATOM 23 CG LYS A 2 3.624 -3.710 6.253 1.00 2.13 C ATOM 24 CD LYS A 2 4.328 -3.701 7.600 1.00 31.50 C ATOM 25 CE LYS A 2 3.505 -4.412 8.664 1.00 53.15 C ATOM 26 NZ LYS A 2 3.777 -5.876 8.690 1.00 40.32 N ATOM 0 H LYS A 2 1.705 -4.472 3.650 1.00 73.43 H new ATOM 0 HA LYS A 2 4.648 -4.668 3.722 1.00 64.15 H new ATOM 0 HB2 LYS A 2 2.839 -5.674 5.939 1.00 3.31 H new ATOM 0 HB3 LYS A 2 4.589 -5.592 5.935 1.00 3.31 H new ATOM 0 HG2 LYS A 2 4.084 -2.971 5.596 1.00 2.13 H new ATOM 0 HG3 LYS A 2 2.583 -3.416 6.384 1.00 2.13 H new ATOM 0 HD2 LYS A 2 5.300 -4.185 7.507 1.00 31.50 H new ATOM 0 HD3 LYS A 2 4.512 -2.672 7.908 1.00 31.50 H new ATOM 0 HE2 LYS A 2 3.728 -3.984 9.641 1.00 53.15 H new ATOM 0 HE3 LYS A 2 2.445 -4.243 8.476 1.00 53.15 H new ATOM 0 HZ1 LYS A 2 3.545 -6.256 9.630 1.00 40.32 H new ATOM 0 HZ2 LYS A 2 3.194 -6.350 7.971 1.00 40.32 H new ATOM 0 HZ3 LYS A 2 4.783 -6.046 8.487 1.00 40.32 H new ATOM 40 N THR A 3 4.540 -7.183 3.354 1.00 71.05 N ATOM 41 CA THR A 3 4.460 -8.539 2.825 1.00 11.10 C ATOM 42 C THR A 3 5.521 -9.437 3.451 1.00 12.43 C ATOM 43 O THR A 3 6.562 -8.961 3.904 1.00 64.11 O ATOM 44 CB THR A 3 4.628 -8.556 1.294 1.00 41.20 C ATOM 45 OG1 THR A 3 4.320 -9.857 0.782 1.00 54.14 O ATOM 46 CG2 THR A 3 6.047 -8.174 0.901 1.00 3.02 C ATOM 0 H THR A 3 5.484 -6.877 3.589 1.00 71.05 H new ATOM 0 HA THR A 3 3.470 -8.919 3.079 1.00 11.10 H new ATOM 0 HB THR A 3 3.941 -7.826 0.867 1.00 41.20 H new ATOM 0 HG1 THR A 3 4.428 -9.859 -0.192 1.00 54.14 H new ATOM 0 HG21 THR A 3 6.141 -8.193 -0.185 1.00 3.02 H new ATOM 0 HG22 THR A 3 6.269 -7.171 1.267 1.00 3.02 H new ATOM 0 HG23 THR A 3 6.749 -8.883 1.339 1.00 3.02 H new ATOM 54 N PHE A 4 5.250 -10.737 3.474 1.00 62.50 N ATOM 55 CA PHE A 4 6.182 -11.702 4.045 1.00 22.45 C ATOM 56 C PHE A 4 7.350 -11.959 3.097 1.00 53.51 C ATOM 57 O PHE A 4 7.162 -12.100 1.889 1.00 62.30 O ATOM 58 CB PHE A 4 5.463 -13.017 4.354 1.00 71.33 C ATOM 59 CG PHE A 4 4.131 -12.830 5.022 1.00 53.55 C ATOM 60 CD1 PHE A 4 4.023 -12.087 6.186 1.00 2.50 C ATOM 61 CD2 PHE A 4 2.986 -13.397 4.485 1.00 10.30 C ATOM 62 CE1 PHE A 4 2.799 -11.911 6.803 1.00 72.50 C ATOM 63 CE2 PHE A 4 1.759 -13.225 5.097 1.00 11.32 C ATOM 64 CZ PHE A 4 1.665 -12.482 6.258 1.00 23.32 C ATOM 0 H PHE A 4 4.392 -11.147 3.104 1.00 62.50 H new ATOM 0 HA PHE A 4 6.575 -11.284 4.972 1.00 22.45 H new ATOM 0 HB2 PHE A 4 5.320 -13.570 3.426 1.00 71.33 H new ATOM 0 HB3 PHE A 4 6.099 -13.628 4.995 1.00 71.33 H new ATOM 0 HD1 PHE A 4 4.907 -11.640 6.617 1.00 2.50 H new ATOM 0 HD2 PHE A 4 3.053 -13.980 3.578 1.00 10.30 H new ATOM 0 HE1 PHE A 4 2.729 -11.328 7.710 1.00 72.50 H new ATOM 0 HE2 PHE A 4 0.874 -13.671 4.668 1.00 11.32 H new ATOM 0 HZ PHE A 4 0.707 -12.348 6.739 1.00 23.32 H new ATOM 74 N ALA A 5 8.555 -12.016 3.654 1.00 40.23 N ATOM 75 CA ALA A 5 9.753 -12.256 2.859 1.00 40.11 C ATOM 76 C ALA A 5 9.931 -13.743 2.570 1.00 4.42 C ATOM 77 O ALA A 5 9.462 -14.593 3.328 1.00 62.34 O ATOM 78 CB ALA A 5 10.979 -11.704 3.572 1.00 53.14 C ATOM 0 H ALA A 5 8.728 -11.899 4.652 1.00 40.23 H new ATOM 0 HA ALA A 5 9.637 -11.739 1.907 1.00 40.11 H new ATOM 0 HB1 ALA A 5 11.866 -11.890 2.967 1.00 53.14 H new ATOM 0 HB2 ALA A 5 10.860 -10.631 3.722 1.00 53.14 H new ATOM 0 HB3 ALA A 5 11.089 -12.195 4.539 1.00 53.14 H new ATOM 84 N LEU A 6 10.611 -14.050 1.471 1.00 41.40 N ATOM 85 CA LEU A 6 10.851 -15.435 1.082 1.00 40.24 C ATOM 86 C LEU A 6 12.168 -15.567 0.324 1.00 63.21 C ATOM 87 O LEU A 6 12.901 -14.592 0.160 1.00 30.11 O ATOM 88 CB LEU A 6 9.699 -15.949 0.217 1.00 35.22 C ATOM 89 CG LEU A 6 8.334 -16.039 0.902 1.00 63.10 C ATOM 90 CD1 LEU A 6 7.226 -16.168 -0.131 1.00 71.33 C ATOM 91 CD2 LEU A 6 8.301 -17.211 1.872 1.00 33.02 C ATOM 0 H LEU A 6 11.006 -13.359 0.834 1.00 41.40 H new ATOM 0 HA LEU A 6 10.913 -16.036 1.989 1.00 40.24 H new ATOM 0 HB2 LEU A 6 9.605 -15.298 -0.652 1.00 35.22 H new ATOM 0 HB3 LEU A 6 9.963 -16.939 -0.154 1.00 35.22 H new ATOM 0 HG LEU A 6 8.171 -15.121 1.467 1.00 63.10 H new ATOM 0 HD11 LEU A 6 6.263 -16.231 0.375 1.00 71.33 H new ATOM 0 HD12 LEU A 6 7.236 -15.297 -0.786 1.00 71.33 H new ATOM 0 HD13 LEU A 6 7.384 -17.069 -0.724 1.00 71.33 H new ATOM 0 HD21 LEU A 6 7.323 -17.260 2.350 1.00 33.02 H new ATOM 0 HD22 LEU A 6 8.486 -18.138 1.329 1.00 33.02 H new ATOM 0 HD23 LEU A 6 9.070 -17.076 2.632 1.00 33.02 H new ATOM 103 N GLN A 7 12.461 -16.779 -0.137 1.00 53.01 N ATOM 104 CA GLN A 7 13.689 -17.038 -0.879 1.00 0.31 C ATOM 105 C GLN A 7 13.844 -16.055 -2.035 1.00 20.11 C ATOM 106 O GLN A 7 12.967 -15.944 -2.890 1.00 53.12 O ATOM 107 CB GLN A 7 13.697 -18.473 -1.409 1.00 1.50 C ATOM 108 CG GLN A 7 15.091 -19.011 -1.687 1.00 44.40 C ATOM 109 CD GLN A 7 15.809 -19.451 -0.426 1.00 70.34 C ATOM 110 OE1 GLN A 7 16.227 -18.625 0.385 1.00 41.31 O ATOM 111 NE2 GLN A 7 15.956 -20.760 -0.255 1.00 55.11 N ATOM 0 H GLN A 7 11.865 -17.597 -0.010 1.00 53.01 H new ATOM 0 HA GLN A 7 14.530 -16.905 -0.198 1.00 0.31 H new ATOM 0 HB2 GLN A 7 13.204 -19.122 -0.685 1.00 1.50 H new ATOM 0 HB3 GLN A 7 13.110 -18.516 -2.327 1.00 1.50 H new ATOM 0 HG2 GLN A 7 15.020 -19.855 -2.374 1.00 44.40 H new ATOM 0 HG3 GLN A 7 15.680 -18.242 -2.187 1.00 44.40 H new ATOM 0 HE21 GLN A 7 15.594 -21.409 -0.953 1.00 55.11 H new ATOM 0 HE22 GLN A 7 16.431 -21.116 0.574 1.00 55.11 H new ATOM 120 N GLY A 8 14.967 -15.343 -2.054 1.00 31.03 N ATOM 121 CA GLY A 8 15.216 -14.378 -3.109 1.00 30.40 C ATOM 122 C GLY A 8 14.162 -13.290 -3.160 1.00 43.01 C ATOM 123 O GLY A 8 13.955 -12.666 -4.201 1.00 0.43 O ATOM 0 H GLY A 8 15.709 -15.417 -1.358 1.00 31.03 H new ATOM 0 HA2 GLY A 8 16.195 -13.924 -2.958 1.00 30.40 H new ATOM 0 HA3 GLY A 8 15.248 -14.894 -4.069 1.00 30.40 H new ATOM 127 N ASP A 9 13.494 -13.063 -2.035 1.00 12.32 N ATOM 128 CA ASP A 9 12.455 -12.042 -1.955 1.00 71.44 C ATOM 129 C ASP A 9 12.788 -11.010 -0.883 1.00 32.35 C ATOM 130 O ASP A 9 11.897 -10.368 -0.325 1.00 41.35 O ATOM 131 CB ASP A 9 11.100 -12.686 -1.658 1.00 73.23 C ATOM 132 CG ASP A 9 10.406 -13.180 -2.913 1.00 20.24 C ATOM 133 OD1 ASP A 9 11.089 -13.337 -3.946 1.00 43.34 O ATOM 134 OD2 ASP A 9 9.180 -13.411 -2.860 1.00 61.31 O ATOM 0 H ASP A 9 13.653 -13.572 -1.165 1.00 12.32 H new ATOM 0 HA ASP A 9 12.404 -11.534 -2.918 1.00 71.44 H new ATOM 0 HB2 ASP A 9 11.240 -13.521 -0.971 1.00 73.23 H new ATOM 0 HB3 ASP A 9 10.460 -11.962 -1.153 1.00 73.23 H new ATOM 139 N THR A 10 14.077 -10.857 -0.596 1.00 51.50 N ATOM 140 CA THR A 10 14.528 -9.905 0.411 1.00 12.34 C ATOM 141 C THR A 10 14.363 -8.470 -0.075 1.00 50.44 C ATOM 142 O THR A 10 13.931 -8.232 -1.204 1.00 43.33 O ATOM 143 CB THR A 10 16.003 -10.141 0.787 1.00 33.14 C ATOM 144 OG1 THR A 10 16.860 -9.560 -0.202 1.00 34.31 O ATOM 145 CG2 THR A 10 16.298 -11.628 0.911 1.00 31.24 C ATOM 0 H THR A 10 14.827 -11.381 -1.047 1.00 51.50 H new ATOM 0 HA THR A 10 13.906 -10.061 1.293 1.00 12.34 H new ATOM 0 HB THR A 10 16.190 -9.668 1.751 1.00 33.14 H new ATOM 0 HG1 THR A 10 17.796 -9.713 0.045 1.00 34.31 H new ATOM 0 HG21 THR A 10 17.345 -11.770 1.177 1.00 31.24 H new ATOM 0 HG22 THR A 10 15.665 -12.061 1.685 1.00 31.24 H new ATOM 0 HG23 THR A 10 16.095 -12.120 -0.040 1.00 31.24 H new ATOM 153 N LEU A 11 14.710 -7.516 0.782 1.00 54.34 N ATOM 154 CA LEU A 11 14.601 -6.102 0.438 1.00 31.12 C ATOM 155 C LEU A 11 15.260 -5.816 -0.907 1.00 63.22 C ATOM 156 O LEU A 11 14.719 -5.079 -1.731 1.00 11.20 O ATOM 157 CB LEU A 11 15.244 -5.241 1.527 1.00 33.53 C ATOM 158 CG LEU A 11 14.716 -5.451 2.947 1.00 24.41 C ATOM 159 CD1 LEU A 11 15.821 -5.221 3.966 1.00 24.43 C ATOM 160 CD2 LEU A 11 13.537 -4.530 3.220 1.00 53.43 C ATOM 0 H LEU A 11 15.069 -7.695 1.720 1.00 54.34 H new ATOM 0 HA LEU A 11 13.543 -5.852 0.363 1.00 31.12 H new ATOM 0 HB2 LEU A 11 16.317 -5.433 1.528 1.00 33.53 H new ATOM 0 HB3 LEU A 11 15.108 -4.193 1.261 1.00 33.53 H new ATOM 0 HG LEU A 11 14.374 -6.482 3.038 1.00 24.41 H new ATOM 0 HD11 LEU A 11 15.427 -5.375 4.971 1.00 24.43 H new ATOM 0 HD12 LEU A 11 16.635 -5.922 3.784 1.00 24.43 H new ATOM 0 HD13 LEU A 11 16.194 -4.201 3.875 1.00 24.43 H new ATOM 0 HD21 LEU A 11 13.175 -4.694 4.235 1.00 53.43 H new ATOM 0 HD22 LEU A 11 13.853 -3.493 3.110 1.00 53.43 H new ATOM 0 HD23 LEU A 11 12.737 -4.743 2.511 1.00 53.43 H new ATOM 172 N ASP A 12 16.431 -6.406 -1.124 1.00 33.25 N ATOM 173 CA ASP A 12 17.163 -6.218 -2.371 1.00 10.25 C ATOM 174 C ASP A 12 16.283 -6.547 -3.572 1.00 61.24 C ATOM 175 O ASP A 12 16.388 -5.915 -4.623 1.00 3.11 O ATOM 176 CB ASP A 12 18.418 -7.092 -2.387 1.00 1.32 C ATOM 177 CG ASP A 12 19.442 -6.653 -1.359 1.00 4.02 C ATOM 178 OD1 ASP A 12 20.186 -5.689 -1.637 1.00 32.04 O ATOM 179 OD2 ASP A 12 19.501 -7.274 -0.277 1.00 22.22 O ATOM 0 H ASP A 12 16.893 -7.019 -0.452 1.00 33.25 H new ATOM 0 HA ASP A 12 17.459 -5.171 -2.436 1.00 10.25 H new ATOM 0 HB2 ASP A 12 18.138 -8.128 -2.197 1.00 1.32 H new ATOM 0 HB3 ASP A 12 18.867 -7.060 -3.380 1.00 1.32 H new ATOM 184 N ALA A 13 15.417 -7.542 -3.410 1.00 54.31 N ATOM 185 CA ALA A 13 14.518 -7.954 -4.481 1.00 61.41 C ATOM 186 C ALA A 13 13.227 -7.143 -4.458 1.00 43.22 C ATOM 187 O ALA A 13 12.856 -6.521 -5.454 1.00 62.54 O ATOM 188 CB ALA A 13 14.212 -9.441 -4.369 1.00 55.54 C ATOM 0 H ALA A 13 15.319 -8.078 -2.547 1.00 54.31 H new ATOM 0 HA ALA A 13 15.016 -7.766 -5.432 1.00 61.41 H new ATOM 0 HB1 ALA A 13 13.540 -9.736 -5.175 1.00 55.54 H new ATOM 0 HB2 ALA A 13 15.139 -10.010 -4.443 1.00 55.54 H new ATOM 0 HB3 ALA A 13 13.738 -9.644 -3.409 1.00 55.54 H new ATOM 194 N ILE A 14 12.548 -7.153 -3.317 1.00 35.44 N ATOM 195 CA ILE A 14 11.298 -6.418 -3.165 1.00 44.31 C ATOM 196 C ILE A 14 11.454 -4.971 -3.621 1.00 11.21 C ATOM 197 O ILE A 14 10.667 -4.476 -4.428 1.00 53.35 O ATOM 198 CB ILE A 14 10.809 -6.434 -1.705 1.00 32.30 C ATOM 199 CG1 ILE A 14 10.584 -7.873 -1.236 1.00 21.31 C ATOM 200 CG2 ILE A 14 9.531 -5.620 -1.566 1.00 20.45 C ATOM 201 CD1 ILE A 14 10.354 -7.994 0.254 1.00 20.13 C ATOM 0 H ILE A 14 12.842 -7.662 -2.483 1.00 35.44 H new ATOM 0 HA ILE A 14 10.559 -6.918 -3.792 1.00 44.31 H new ATOM 0 HB ILE A 14 11.575 -5.982 -1.075 1.00 32.30 H new ATOM 0 HG12 ILE A 14 9.725 -8.288 -1.763 1.00 21.31 H new ATOM 0 HG13 ILE A 14 11.449 -8.476 -1.512 1.00 21.31 H new ATOM 0 HG21 ILE A 14 9.197 -5.641 -0.528 1.00 20.45 H new ATOM 0 HG22 ILE A 14 9.722 -4.589 -1.865 1.00 20.45 H new ATOM 0 HG23 ILE A 14 8.757 -6.046 -2.204 1.00 20.45 H new ATOM 0 HD11 ILE A 14 10.202 -9.041 0.515 1.00 20.13 H new ATOM 0 HD12 ILE A 14 11.222 -7.609 0.789 1.00 20.13 H new ATOM 0 HD13 ILE A 14 9.472 -7.419 0.534 1.00 20.13 H new ATOM 213 N CYS A 15 12.474 -4.299 -3.100 1.00 2.33 N ATOM 214 CA CYS A 15 12.734 -2.908 -3.454 1.00 3.22 C ATOM 215 C CYS A 15 12.831 -2.741 -4.967 1.00 0.12 C ATOM 216 O CYS A 15 12.510 -1.682 -5.507 1.00 73.41 O ATOM 217 CB CYS A 15 14.025 -2.424 -2.792 1.00 21.04 C ATOM 218 SG CYS A 15 13.893 -2.186 -1.004 1.00 43.31 S ATOM 0 H CYS A 15 13.135 -4.694 -2.431 1.00 2.33 H new ATOM 0 HA CYS A 15 11.901 -2.305 -3.093 1.00 3.22 H new ATOM 0 HB2 CYS A 15 14.817 -3.145 -2.994 1.00 21.04 H new ATOM 0 HB3 CYS A 15 14.326 -1.483 -3.252 1.00 21.04 H new ATOM 0 HG CYS A 15 14.051 -3.327 -0.402 1.00 43.31 H new ATOM 224 N VAL A 16 13.278 -3.793 -5.646 1.00 14.14 N ATOM 225 CA VAL A 16 13.418 -3.763 -7.097 1.00 33.14 C ATOM 226 C VAL A 16 12.114 -4.155 -7.783 1.00 30.23 C ATOM 227 O VAL A 16 11.849 -3.748 -8.914 1.00 0.11 O ATOM 228 CB VAL A 16 14.539 -4.706 -7.572 1.00 31.23 C ATOM 229 CG1 VAL A 16 14.616 -4.722 -9.091 1.00 10.42 C ATOM 230 CG2 VAL A 16 15.872 -4.295 -6.966 1.00 65.31 C ATOM 0 H VAL A 16 13.549 -4.676 -5.214 1.00 14.14 H new ATOM 0 HA VAL A 16 13.675 -2.739 -7.369 1.00 33.14 H new ATOM 0 HB VAL A 16 14.308 -5.716 -7.234 1.00 31.23 H new ATOM 0 HG11 VAL A 16 15.414 -5.394 -9.408 1.00 10.42 H new ATOM 0 HG12 VAL A 16 13.667 -5.068 -9.500 1.00 10.42 H new ATOM 0 HG13 VAL A 16 14.823 -3.716 -9.455 1.00 10.42 H new ATOM 0 HG21 VAL A 16 16.653 -4.972 -7.312 1.00 65.31 H new ATOM 0 HG22 VAL A 16 16.112 -3.277 -7.272 1.00 65.31 H new ATOM 0 HG23 VAL A 16 15.807 -4.341 -5.879 1.00 65.31 H new ATOM 240 N ARG A 17 11.303 -4.948 -7.090 1.00 73.25 N ATOM 241 CA ARG A 17 10.026 -5.396 -7.633 1.00 71.43 C ATOM 242 C ARG A 17 8.929 -4.371 -7.361 1.00 23.14 C ATOM 243 O ARG A 17 7.851 -4.428 -7.953 1.00 2.33 O ATOM 244 CB ARG A 17 9.637 -6.747 -7.030 1.00 62.43 C ATOM 245 CG ARG A 17 8.689 -6.636 -5.848 1.00 33.32 C ATOM 246 CD ARG A 17 8.435 -7.992 -5.208 1.00 21.23 C ATOM 247 NE ARG A 17 7.867 -8.947 -6.156 1.00 24.35 N ATOM 248 CZ ARG A 17 7.721 -10.242 -5.896 1.00 4.10 C ATOM 249 NH1 ARG A 17 8.099 -10.733 -4.724 1.00 30.12 N ATOM 250 NH2 ARG A 17 7.196 -11.048 -6.810 1.00 1.12 N ATOM 0 H ARG A 17 11.507 -5.293 -6.152 1.00 73.25 H new ATOM 0 HA ARG A 17 10.137 -5.505 -8.712 1.00 71.43 H new ATOM 0 HB2 ARG A 17 9.171 -7.359 -7.802 1.00 62.43 H new ATOM 0 HB3 ARG A 17 10.541 -7.267 -6.713 1.00 62.43 H new ATOM 0 HG2 ARG A 17 9.108 -5.955 -5.107 1.00 33.32 H new ATOM 0 HG3 ARG A 17 7.744 -6.205 -6.178 1.00 33.32 H new ATOM 0 HD2 ARG A 17 9.371 -8.387 -4.812 1.00 21.23 H new ATOM 0 HD3 ARG A 17 7.757 -7.873 -4.363 1.00 21.23 H new ATOM 0 HE ARG A 17 7.566 -8.601 -7.067 1.00 24.35 H new ATOM 0 HH11 ARG A 17 8.503 -10.116 -4.019 1.00 30.12 H new ATOM 0 HH12 ARG A 17 7.986 -11.727 -4.527 1.00 30.12 H new ATOM 0 HH21 ARG A 17 6.904 -10.674 -7.713 1.00 1.12 H new ATOM 0 HH22 ARG A 17 7.084 -12.042 -6.610 1.00 1.12 H new ATOM 264 N TYR A 18 9.212 -3.436 -6.461 1.00 12.32 N ATOM 265 CA TYR A 18 8.249 -2.399 -6.107 1.00 72.53 C ATOM 266 C TYR A 18 8.672 -1.047 -6.672 1.00 51.12 C ATOM 267 O TYR A 18 7.968 -0.455 -7.491 1.00 34.51 O ATOM 268 CB TYR A 18 8.103 -2.307 -4.588 1.00 13.25 C ATOM 269 CG TYR A 18 6.908 -3.060 -4.047 1.00 41.30 C ATOM 270 CD1 TYR A 18 6.994 -4.413 -3.744 1.00 54.04 C ATOM 271 CD2 TYR A 18 5.694 -2.417 -3.838 1.00 31.20 C ATOM 272 CE1 TYR A 18 5.904 -5.105 -3.251 1.00 44.22 C ATOM 273 CE2 TYR A 18 4.600 -3.101 -3.344 1.00 12.33 C ATOM 274 CZ TYR A 18 4.710 -4.444 -3.052 1.00 71.43 C ATOM 275 OH TYR A 18 3.623 -5.130 -2.560 1.00 0.32 O ATOM 0 H TYR A 18 10.100 -3.375 -5.963 1.00 12.32 H new ATOM 0 HA TYR A 18 7.287 -2.669 -6.542 1.00 72.53 H new ATOM 0 HB2 TYR A 18 9.008 -2.695 -4.120 1.00 13.25 H new ATOM 0 HB3 TYR A 18 8.021 -1.258 -4.302 1.00 13.25 H new ATOM 0 HD1 TYR A 18 7.928 -4.933 -3.896 1.00 54.04 H new ATOM 0 HD2 TYR A 18 5.604 -1.365 -4.066 1.00 31.20 H new ATOM 0 HE1 TYR A 18 5.987 -6.157 -3.023 1.00 44.22 H new ATOM 0 HE2 TYR A 18 3.663 -2.586 -3.187 1.00 12.33 H new ATOM 0 HH TYR A 18 2.861 -4.519 -2.477 1.00 0.32 H new ATOM 285 N TYR A 19 9.827 -0.564 -6.229 1.00 42.34 N ATOM 286 CA TYR A 19 10.345 0.720 -6.688 1.00 60.33 C ATOM 287 C TYR A 19 11.253 0.539 -7.901 1.00 73.32 C ATOM 288 O TYR A 19 11.270 1.370 -8.808 1.00 12.23 O ATOM 289 CB TYR A 19 11.112 1.416 -5.563 1.00 31.12 C ATOM 290 CG TYR A 19 10.414 1.350 -4.223 1.00 54.03 C ATOM 291 CD1 TYR A 19 9.405 2.249 -3.898 1.00 62.33 C ATOM 292 CD2 TYR A 19 10.762 0.388 -3.283 1.00 51.00 C ATOM 293 CE1 TYR A 19 8.765 2.192 -2.675 1.00 42.54 C ATOM 294 CE2 TYR A 19 10.126 0.323 -2.058 1.00 42.41 C ATOM 295 CZ TYR A 19 9.129 1.228 -1.759 1.00 0.12 C ATOM 296 OH TYR A 19 8.493 1.168 -0.540 1.00 71.11 O ATOM 0 H TYR A 19 10.423 -1.042 -5.553 1.00 42.34 H new ATOM 0 HA TYR A 19 9.498 1.341 -6.980 1.00 60.33 H new ATOM 0 HB2 TYR A 19 12.099 0.962 -5.472 1.00 31.12 H new ATOM 0 HB3 TYR A 19 11.266 2.461 -5.832 1.00 31.12 H new ATOM 0 HD1 TYR A 19 9.116 3.005 -4.614 1.00 62.33 H new ATOM 0 HD2 TYR A 19 11.543 -0.321 -3.514 1.00 51.00 H new ATOM 0 HE1 TYR A 19 7.984 2.899 -2.438 1.00 42.54 H new ATOM 0 HE2 TYR A 19 10.408 -0.432 -1.339 1.00 42.41 H new ATOM 0 HH TYR A 19 8.596 2.024 -0.075 1.00 71.11 H new ATOM 306 N GLY A 20 12.007 -0.556 -7.910 1.00 33.52 N ATOM 307 CA GLY A 20 12.907 -0.829 -9.015 1.00 54.23 C ATOM 308 C GLY A 20 14.312 -0.321 -8.758 1.00 34.44 C ATOM 309 O GLY A 20 15.070 -0.070 -9.695 1.00 35.03 O ATOM 0 H GLY A 20 12.010 -1.259 -7.171 1.00 33.52 H new ATOM 0 HA2 GLY A 20 12.940 -1.903 -9.196 1.00 54.23 H new ATOM 0 HA3 GLY A 20 12.516 -0.365 -9.921 1.00 54.23 H new ATOM 313 N ARG A 21 14.660 -0.169 -7.484 1.00 53.32 N ATOM 314 CA ARG A 21 15.982 0.315 -7.106 1.00 41.13 C ATOM 315 C ARG A 21 16.249 0.066 -5.625 1.00 1.33 C ATOM 316 O ARG A 21 15.329 -0.210 -4.854 1.00 61.31 O ATOM 317 CB ARG A 21 16.110 1.808 -7.415 1.00 33.02 C ATOM 318 CG ARG A 21 15.188 2.683 -6.581 1.00 51.14 C ATOM 319 CD ARG A 21 13.918 3.035 -7.340 1.00 35.33 C ATOM 320 NE ARG A 21 13.446 4.380 -7.023 1.00 52.12 N ATOM 321 CZ ARG A 21 12.206 4.797 -7.253 1.00 53.10 C ATOM 322 NH1 ARG A 21 11.317 3.977 -7.798 1.00 4.31 N ATOM 323 NH2 ARG A 21 11.852 6.036 -6.937 1.00 52.32 N ATOM 0 H ARG A 21 14.045 -0.374 -6.697 1.00 53.32 H new ATOM 0 HA ARG A 21 16.722 -0.234 -7.688 1.00 41.13 H new ATOM 0 HB2 ARG A 21 17.141 2.118 -7.247 1.00 33.02 H new ATOM 0 HB3 ARG A 21 15.896 1.972 -8.471 1.00 33.02 H new ATOM 0 HG2 ARG A 21 14.930 2.165 -5.658 1.00 51.14 H new ATOM 0 HG3 ARG A 21 15.710 3.597 -6.298 1.00 51.14 H new ATOM 0 HD2 ARG A 21 14.103 2.959 -8.411 1.00 35.33 H new ATOM 0 HD3 ARG A 21 13.139 2.311 -7.099 1.00 35.33 H new ATOM 0 HE ARG A 21 14.105 5.035 -6.602 1.00 52.12 H new ATOM 0 HH11 ARG A 21 11.585 3.023 -8.042 1.00 4.31 H new ATOM 0 HH12 ARG A 21 10.366 4.300 -7.973 1.00 4.31 H new ATOM 0 HH21 ARG A 21 12.532 6.669 -6.517 1.00 52.32 H new ATOM 0 HH22 ARG A 21 10.900 6.355 -7.114 1.00 52.32 H new ATOM 337 N THR A 22 17.515 0.166 -5.232 1.00 23.11 N ATOM 338 CA THR A 22 17.904 -0.050 -3.844 1.00 2.20 C ATOM 339 C THR A 22 18.572 1.190 -3.261 1.00 42.31 C ATOM 340 O THR A 22 18.451 1.468 -2.069 1.00 2.44 O ATOM 341 CB THR A 22 18.864 -1.247 -3.709 1.00 33.20 C ATOM 342 OG1 THR A 22 19.700 -1.338 -4.868 1.00 75.41 O ATOM 343 CG2 THR A 22 18.089 -2.544 -3.533 1.00 31.40 C ATOM 0 H THR A 22 18.289 0.395 -5.856 1.00 23.11 H new ATOM 0 HA THR A 22 16.990 -0.262 -3.289 1.00 2.20 H new ATOM 0 HB THR A 22 19.484 -1.090 -2.826 1.00 33.20 H new ATOM 0 HG1 THR A 22 20.308 -2.100 -4.773 1.00 75.41 H new ATOM 0 HG21 THR A 22 18.788 -3.375 -3.440 1.00 31.40 H new ATOM 0 HG22 THR A 22 17.476 -2.482 -2.634 1.00 31.40 H new ATOM 0 HG23 THR A 22 17.447 -2.705 -4.399 1.00 31.40 H new ATOM 351 N GLU A 23 19.276 1.932 -4.110 1.00 44.13 N ATOM 352 CA GLU A 23 19.964 3.143 -3.677 1.00 55.14 C ATOM 353 C GLU A 23 18.965 4.194 -3.199 1.00 63.41 C ATOM 354 O GLU A 23 18.189 4.732 -3.987 1.00 34.21 O ATOM 355 CB GLU A 23 20.811 3.711 -4.818 1.00 73.11 C ATOM 356 CG GLU A 23 21.685 4.882 -4.402 1.00 64.42 C ATOM 357 CD GLU A 23 22.270 5.623 -5.589 1.00 1.45 C ATOM 358 OE1 GLU A 23 22.732 4.954 -6.537 1.00 14.42 O ATOM 359 OE2 GLU A 23 22.266 6.872 -5.569 1.00 24.12 O ATOM 0 H GLU A 23 19.385 1.716 -5.101 1.00 44.13 H new ATOM 0 HA GLU A 23 20.617 2.881 -2.845 1.00 55.14 H new ATOM 0 HB2 GLU A 23 21.445 2.919 -5.218 1.00 73.11 H new ATOM 0 HB3 GLU A 23 20.151 4.029 -5.625 1.00 73.11 H new ATOM 0 HG2 GLU A 23 21.096 5.574 -3.800 1.00 64.42 H new ATOM 0 HG3 GLU A 23 22.495 4.519 -3.769 1.00 64.42 H new ATOM 366 N GLY A 24 18.993 4.480 -1.901 1.00 35.21 N ATOM 367 CA GLY A 24 18.086 5.464 -1.339 1.00 33.41 C ATOM 368 C GLY A 24 16.830 4.835 -0.768 1.00 0.21 C ATOM 369 O GLY A 24 16.183 5.409 0.108 1.00 54.32 O ATOM 0 H GLY A 24 19.627 4.048 -1.229 1.00 35.21 H new ATOM 0 HA2 GLY A 24 18.599 6.020 -0.555 1.00 33.41 H new ATOM 0 HA3 GLY A 24 17.810 6.182 -2.111 1.00 33.41 H new ATOM 373 N VAL A 25 16.483 3.652 -1.266 1.00 11.53 N ATOM 374 CA VAL A 25 15.296 2.946 -0.800 1.00 32.40 C ATOM 375 C VAL A 25 15.632 2.007 0.354 1.00 41.34 C ATOM 376 O VAL A 25 14.904 1.937 1.343 1.00 35.25 O ATOM 377 CB VAL A 25 14.645 2.133 -1.935 1.00 50.11 C ATOM 378 CG1 VAL A 25 13.323 1.537 -1.475 1.00 42.14 C ATOM 379 CG2 VAL A 25 14.447 3.003 -3.167 1.00 1.50 C ATOM 0 H VAL A 25 17.007 3.163 -1.992 1.00 11.53 H new ATOM 0 HA VAL A 25 14.592 3.704 -0.455 1.00 32.40 H new ATOM 0 HB VAL A 25 15.313 1.313 -2.200 1.00 50.11 H new ATOM 0 HG11 VAL A 25 12.878 0.966 -2.290 1.00 42.14 H new ATOM 0 HG12 VAL A 25 13.497 0.879 -0.624 1.00 42.14 H new ATOM 0 HG13 VAL A 25 12.645 2.338 -1.181 1.00 42.14 H new ATOM 0 HG21 VAL A 25 13.986 2.413 -3.959 1.00 1.50 H new ATOM 0 HG22 VAL A 25 13.800 3.844 -2.918 1.00 1.50 H new ATOM 0 HG23 VAL A 25 15.413 3.376 -3.508 1.00 1.50 H new ATOM 389 N VAL A 26 16.742 1.287 0.220 1.00 55.45 N ATOM 390 CA VAL A 26 17.176 0.354 1.251 1.00 24.35 C ATOM 391 C VAL A 26 17.311 1.050 2.601 1.00 30.21 C ATOM 392 O VAL A 26 17.118 0.435 3.649 1.00 33.22 O ATOM 393 CB VAL A 26 18.523 -0.299 0.886 1.00 32.24 C ATOM 394 CG1 VAL A 26 18.385 -1.138 -0.375 1.00 31.42 C ATOM 395 CG2 VAL A 26 19.600 0.761 0.716 1.00 52.52 C ATOM 0 H VAL A 26 17.356 1.333 -0.593 1.00 55.45 H new ATOM 0 HA VAL A 26 16.412 -0.420 1.319 1.00 24.35 H new ATOM 0 HB VAL A 26 18.820 -0.958 1.701 1.00 32.24 H new ATOM 0 HG11 VAL A 26 19.346 -1.591 -0.617 1.00 31.42 H new ATOM 0 HG12 VAL A 26 17.645 -1.922 -0.212 1.00 31.42 H new ATOM 0 HG13 VAL A 26 18.065 -0.503 -1.201 1.00 31.42 H new ATOM 0 HG21 VAL A 26 20.545 0.282 0.458 1.00 52.52 H new ATOM 0 HG22 VAL A 26 19.312 1.448 -0.080 1.00 52.52 H new ATOM 0 HG23 VAL A 26 19.716 1.314 1.648 1.00 52.52 H new ATOM 405 N GLU A 27 17.643 2.337 2.567 1.00 61.43 N ATOM 406 CA GLU A 27 17.804 3.116 3.788 1.00 12.34 C ATOM 407 C GLU A 27 16.447 3.458 4.398 1.00 42.10 C ATOM 408 O GLU A 27 16.330 3.660 5.607 1.00 14.31 O ATOM 409 CB GLU A 27 18.584 4.401 3.501 1.00 23.42 C ATOM 410 CG GLU A 27 20.044 4.161 3.156 1.00 44.05 C ATOM 411 CD GLU A 27 20.826 3.562 4.309 1.00 43.44 C ATOM 412 OE1 GLU A 27 20.896 4.206 5.377 1.00 74.34 O ATOM 413 OE2 GLU A 27 21.369 2.450 4.142 1.00 31.24 O ATOM 0 H GLU A 27 17.805 2.861 1.707 1.00 61.43 H new ATOM 0 HA GLU A 27 18.363 2.512 4.503 1.00 12.34 H new ATOM 0 HB2 GLU A 27 18.106 4.930 2.676 1.00 23.42 H new ATOM 0 HB3 GLU A 27 18.528 5.053 4.373 1.00 23.42 H new ATOM 0 HG2 GLU A 27 20.105 3.495 2.296 1.00 44.05 H new ATOM 0 HG3 GLU A 27 20.504 5.105 2.862 1.00 44.05 H new ATOM 420 N THR A 28 15.424 3.522 3.552 1.00 73.42 N ATOM 421 CA THR A 28 14.076 3.840 4.005 1.00 11.52 C ATOM 422 C THR A 28 13.459 2.670 4.762 1.00 60.20 C ATOM 423 O THR A 28 13.172 2.771 5.955 1.00 63.40 O ATOM 424 CB THR A 28 13.160 4.214 2.825 1.00 74.34 C ATOM 425 OG1 THR A 28 13.928 4.827 1.783 1.00 32.40 O ATOM 426 CG2 THR A 28 12.058 5.161 3.274 1.00 55.45 C ATOM 0 H THR A 28 15.504 3.358 2.548 1.00 73.42 H new ATOM 0 HA THR A 28 14.162 4.696 4.674 1.00 11.52 H new ATOM 0 HB THR A 28 12.700 3.301 2.447 1.00 74.34 H new ATOM 0 HG1 THR A 28 13.338 5.060 1.036 1.00 32.40 H new ATOM 0 HG21 THR A 28 11.424 5.411 2.423 1.00 55.45 H new ATOM 0 HG22 THR A 28 11.457 4.680 4.046 1.00 55.45 H new ATOM 0 HG23 THR A 28 12.502 6.072 3.675 1.00 55.45 H new ATOM 434 N VAL A 29 13.258 1.558 4.061 1.00 15.33 N ATOM 435 CA VAL A 29 12.676 0.367 4.668 1.00 21.10 C ATOM 436 C VAL A 29 13.457 -0.055 5.907 1.00 31.55 C ATOM 437 O VAL A 29 12.877 -0.500 6.899 1.00 75.33 O ATOM 438 CB VAL A 29 12.639 -0.808 3.673 1.00 34.42 C ATOM 439 CG1 VAL A 29 11.895 -1.992 4.272 1.00 14.04 C ATOM 440 CG2 VAL A 29 12.001 -0.376 2.362 1.00 54.42 C ATOM 0 H VAL A 29 13.490 1.458 3.073 1.00 15.33 H new ATOM 0 HA VAL A 29 11.656 0.623 4.955 1.00 21.10 H new ATOM 0 HB VAL A 29 13.663 -1.119 3.467 1.00 34.42 H new ATOM 0 HG11 VAL A 29 11.879 -2.812 3.555 1.00 14.04 H new ATOM 0 HG12 VAL A 29 12.399 -2.316 5.182 1.00 14.04 H new ATOM 0 HG13 VAL A 29 10.873 -1.697 4.509 1.00 14.04 H new ATOM 0 HG21 VAL A 29 11.983 -1.219 1.671 1.00 54.42 H new ATOM 0 HG22 VAL A 29 10.982 -0.037 2.548 1.00 54.42 H new ATOM 0 HG23 VAL A 29 12.580 0.438 1.926 1.00 54.42 H new ATOM 450 N LEU A 30 14.776 0.087 5.846 1.00 62.24 N ATOM 451 CA LEU A 30 15.638 -0.279 6.964 1.00 65.52 C ATOM 452 C LEU A 30 15.247 0.483 8.226 1.00 71.52 C ATOM 453 O LEU A 30 15.075 -0.108 9.291 1.00 33.53 O ATOM 454 CB LEU A 30 17.102 0.001 6.618 1.00 11.42 C ATOM 455 CG LEU A 30 17.869 -1.148 5.963 1.00 42.51 C ATOM 456 CD1 LEU A 30 19.274 -0.704 5.585 1.00 21.33 C ATOM 457 CD2 LEU A 30 17.919 -2.353 6.890 1.00 4.14 C ATOM 0 H LEU A 30 15.272 0.453 5.034 1.00 62.24 H new ATOM 0 HA LEU A 30 15.513 -1.345 7.153 1.00 65.52 H new ATOM 0 HB2 LEU A 30 17.138 0.862 5.951 1.00 11.42 H new ATOM 0 HB3 LEU A 30 17.623 0.284 7.533 1.00 11.42 H new ATOM 0 HG LEU A 30 17.344 -1.438 5.053 1.00 42.51 H new ATOM 0 HD11 LEU A 30 19.805 -1.534 5.120 1.00 21.33 H new ATOM 0 HD12 LEU A 30 19.216 0.128 4.883 1.00 21.33 H new ATOM 0 HD13 LEU A 30 19.809 -0.387 6.480 1.00 21.33 H new ATOM 0 HD21 LEU A 30 18.469 -3.161 6.407 1.00 4.14 H new ATOM 0 HD22 LEU A 30 18.420 -2.077 7.818 1.00 4.14 H new ATOM 0 HD23 LEU A 30 16.904 -2.685 7.110 1.00 4.14 H new ATOM 469 N ALA A 31 15.106 1.798 8.097 1.00 72.32 N ATOM 470 CA ALA A 31 14.730 2.640 9.226 1.00 42.04 C ATOM 471 C ALA A 31 13.392 2.205 9.814 1.00 24.21 C ATOM 472 O ALA A 31 13.125 2.417 10.996 1.00 4.04 O ATOM 473 CB ALA A 31 14.671 4.099 8.799 1.00 44.24 C ATOM 0 H ALA A 31 15.246 2.303 7.222 1.00 72.32 H new ATOM 0 HA ALA A 31 15.490 2.529 9.999 1.00 42.04 H new ATOM 0 HB1 ALA A 31 14.389 4.717 9.652 1.00 44.24 H new ATOM 0 HB2 ALA A 31 15.649 4.411 8.433 1.00 44.24 H new ATOM 0 HB3 ALA A 31 13.932 4.216 8.006 1.00 44.24 H new ATOM 479 N ALA A 32 12.555 1.596 8.981 1.00 30.41 N ATOM 480 CA ALA A 32 11.245 1.130 9.420 1.00 64.51 C ATOM 481 C ALA A 32 11.327 -0.285 9.983 1.00 33.14 C ATOM 482 O ALA A 32 10.498 -0.687 10.799 1.00 74.05 O ATOM 483 CB ALA A 32 10.253 1.185 8.268 1.00 35.23 C ATOM 0 H ALA A 32 12.760 1.414 7.999 1.00 30.41 H new ATOM 0 HA ALA A 32 10.899 1.790 10.215 1.00 64.51 H new ATOM 0 HB1 ALA A 32 9.279 0.834 8.609 1.00 35.23 H new ATOM 0 HB2 ALA A 32 10.165 2.212 7.912 1.00 35.23 H new ATOM 0 HB3 ALA A 32 10.603 0.548 7.455 1.00 35.23 H new ATOM 489 N ASN A 33 12.331 -1.036 9.543 1.00 51.04 N ATOM 490 CA ASN A 33 12.519 -2.407 10.003 1.00 63.04 C ATOM 491 C ASN A 33 13.954 -2.632 10.470 1.00 0.31 C ATOM 492 O ASN A 33 14.756 -3.285 9.802 1.00 33.23 O ATOM 493 CB ASN A 33 12.175 -3.394 8.885 1.00 13.23 C ATOM 494 CG ASN A 33 10.712 -3.795 8.899 1.00 42.44 C ATOM 495 OD1 ASN A 33 10.374 -4.941 9.195 1.00 52.25 O ATOM 496 ND2 ASN A 33 9.837 -2.849 8.577 1.00 72.32 N ATOM 0 H ASN A 33 13.027 -0.718 8.868 1.00 51.04 H new ATOM 0 HA ASN A 33 11.850 -2.576 10.847 1.00 63.04 H new ATOM 0 HB2 ASN A 33 12.417 -2.946 7.921 1.00 13.23 H new ATOM 0 HB3 ASN A 33 12.794 -4.285 8.987 1.00 13.23 H new ATOM 0 HD21 ASN A 33 8.839 -3.059 8.568 1.00 72.32 H new ATOM 0 HD22 ASN A 33 10.163 -1.912 8.338 1.00 72.32 H new ATOM 503 N PRO A 34 14.287 -2.078 11.646 1.00 72.13 N ATOM 504 CA PRO A 34 15.625 -2.205 12.230 1.00 63.22 C ATOM 505 C PRO A 34 15.919 -3.624 12.704 1.00 74.52 C ATOM 506 O PRO A 34 15.206 -4.168 13.547 1.00 51.43 O ATOM 507 CB PRO A 34 15.586 -1.242 13.419 1.00 44.34 C ATOM 508 CG PRO A 34 14.145 -1.148 13.784 1.00 61.53 C ATOM 509 CD PRO A 34 13.382 -1.286 12.495 1.00 11.04 C ATOM 0 HA PRO A 34 16.408 -1.979 11.506 1.00 63.22 H new ATOM 0 HB2 PRO A 34 16.181 -1.617 14.251 1.00 44.34 H new ATOM 0 HB3 PRO A 34 15.991 -0.266 13.151 1.00 44.34 H new ATOM 0 HG2 PRO A 34 13.868 -1.933 14.487 1.00 61.53 H new ATOM 0 HG3 PRO A 34 13.926 -0.196 14.267 1.00 61.53 H new ATOM 0 HD2 PRO A 34 12.428 -1.791 12.645 1.00 11.04 H new ATOM 0 HD3 PRO A 34 13.163 -0.315 12.052 1.00 11.04 H new ATOM 517 N GLY A 35 16.974 -4.220 12.156 1.00 34.52 N ATOM 518 CA GLY A 35 17.342 -5.572 12.536 1.00 5.41 C ATOM 519 C GLY A 35 17.640 -6.450 11.337 1.00 24.13 C ATOM 520 O GLY A 35 18.298 -7.484 11.464 1.00 71.03 O ATOM 0 H GLY A 35 17.580 -3.791 11.456 1.00 34.52 H new ATOM 0 HA2 GLY A 35 18.218 -5.538 13.184 1.00 5.41 H new ATOM 0 HA3 GLY A 35 16.533 -6.016 13.116 1.00 5.41 H new ATOM 524 N LEU A 36 17.155 -6.040 10.171 1.00 60.44 N ATOM 525 CA LEU A 36 17.372 -6.799 8.943 1.00 15.51 C ATOM 526 C LEU A 36 18.758 -6.524 8.371 1.00 43.53 C ATOM 527 O LEU A 36 19.432 -7.432 7.887 1.00 63.42 O ATOM 528 CB LEU A 36 16.301 -6.448 7.908 1.00 3.41 C ATOM 529 CG LEU A 36 15.934 -7.556 6.921 1.00 55.44 C ATOM 530 CD1 LEU A 36 17.168 -8.037 6.175 1.00 62.23 C ATOM 531 CD2 LEU A 36 15.260 -8.713 7.644 1.00 50.31 C ATOM 0 H LEU A 36 16.609 -5.187 10.049 1.00 60.44 H new ATOM 0 HA LEU A 36 17.303 -7.860 9.183 1.00 15.51 H new ATOM 0 HB2 LEU A 36 15.397 -6.147 8.438 1.00 3.41 H new ATOM 0 HB3 LEU A 36 16.642 -5.582 7.341 1.00 3.41 H new ATOM 0 HG LEU A 36 15.231 -7.150 6.194 1.00 55.44 H new ATOM 0 HD11 LEU A 36 16.887 -8.826 5.477 1.00 62.23 H new ATOM 0 HD12 LEU A 36 17.608 -7.205 5.625 1.00 62.23 H new ATOM 0 HD13 LEU A 36 17.896 -8.426 6.888 1.00 62.23 H new ATOM 0 HD21 LEU A 36 15.006 -9.492 6.926 1.00 50.31 H new ATOM 0 HD22 LEU A 36 15.939 -9.118 8.394 1.00 50.31 H new ATOM 0 HD23 LEU A 36 14.352 -8.358 8.131 1.00 50.31 H new ATOM 543 N ALA A 37 19.179 -5.264 8.431 1.00 31.34 N ATOM 544 CA ALA A 37 20.487 -4.870 7.923 1.00 31.41 C ATOM 545 C ALA A 37 21.598 -5.681 8.581 1.00 5.44 C ATOM 546 O ALA A 37 22.528 -6.132 7.914 1.00 71.35 O ATOM 547 CB ALA A 37 20.713 -3.382 8.145 1.00 23.34 C ATOM 0 H ALA A 37 18.632 -4.499 8.827 1.00 31.34 H new ATOM 0 HA ALA A 37 20.510 -5.073 6.852 1.00 31.41 H new ATOM 0 HB1 ALA A 37 21.694 -3.102 7.761 1.00 23.34 H new ATOM 0 HB2 ALA A 37 19.943 -2.815 7.622 1.00 23.34 H new ATOM 0 HB3 ALA A 37 20.665 -3.162 9.211 1.00 23.34 H new ATOM 553 N GLU A 38 21.496 -5.860 9.895 1.00 51.43 N ATOM 554 CA GLU A 38 22.495 -6.615 10.642 1.00 15.44 C ATOM 555 C GLU A 38 22.135 -8.097 10.687 1.00 12.13 C ATOM 556 O GLU A 38 22.746 -8.874 11.422 1.00 12.24 O ATOM 557 CB GLU A 38 22.621 -6.066 12.065 1.00 1.11 C ATOM 558 CG GLU A 38 21.314 -6.078 12.841 1.00 45.14 C ATOM 559 CD GLU A 38 20.612 -4.734 12.821 1.00 71.32 C ATOM 560 OE1 GLU A 38 19.923 -4.439 11.822 1.00 35.24 O ATOM 561 OE2 GLU A 38 20.752 -3.978 13.805 1.00 52.12 O ATOM 0 H GLU A 38 20.733 -5.493 10.463 1.00 51.43 H new ATOM 0 HA GLU A 38 23.452 -6.507 10.132 1.00 15.44 H new ATOM 0 HB2 GLU A 38 23.361 -6.654 12.608 1.00 1.11 H new ATOM 0 HB3 GLU A 38 22.997 -5.044 12.019 1.00 1.11 H new ATOM 0 HG2 GLU A 38 20.653 -6.835 12.420 1.00 45.14 H new ATOM 0 HG3 GLU A 38 21.511 -6.365 13.874 1.00 45.14 H new ATOM 568 N LEU A 39 21.139 -8.482 9.897 1.00 40.01 N ATOM 569 CA LEU A 39 20.696 -9.871 9.846 1.00 62.03 C ATOM 570 C LEU A 39 21.616 -10.703 8.958 1.00 21.53 C ATOM 571 O LEU A 39 22.058 -11.784 9.346 1.00 64.00 O ATOM 572 CB LEU A 39 19.259 -9.950 9.327 1.00 65.14 C ATOM 573 CG LEU A 39 18.552 -11.293 9.512 1.00 13.21 C ATOM 574 CD1 LEU A 39 18.560 -11.703 10.977 1.00 50.35 C ATOM 575 CD2 LEU A 39 17.126 -11.222 8.984 1.00 2.43 C ATOM 0 H LEU A 39 20.623 -7.852 9.283 1.00 40.01 H new ATOM 0 HA LEU A 39 20.733 -10.276 10.857 1.00 62.03 H new ATOM 0 HB2 LEU A 39 18.671 -9.180 9.827 1.00 65.14 H new ATOM 0 HB3 LEU A 39 19.264 -9.708 8.264 1.00 65.14 H new ATOM 0 HG LEU A 39 19.093 -12.048 8.941 1.00 13.21 H new ATOM 0 HD11 LEU A 39 18.053 -12.661 11.089 1.00 50.35 H new ATOM 0 HD12 LEU A 39 19.589 -11.795 11.324 1.00 50.35 H new ATOM 0 HD13 LEU A 39 18.044 -10.947 11.569 1.00 50.35 H new ATOM 0 HD21 LEU A 39 16.638 -12.186 9.124 1.00 2.43 H new ATOM 0 HD22 LEU A 39 16.575 -10.454 9.527 1.00 2.43 H new ATOM 0 HD23 LEU A 39 17.143 -10.974 7.923 1.00 2.43 H new ATOM 587 N GLY A 40 21.902 -10.191 7.765 1.00 31.11 N ATOM 588 CA GLY A 40 22.770 -10.899 6.842 1.00 35.22 C ATOM 589 C GLY A 40 22.357 -10.708 5.396 1.00 2.11 C ATOM 590 O GLY A 40 21.593 -9.797 5.077 1.00 63.52 O ATOM 0 H GLY A 40 21.548 -9.298 7.421 1.00 31.11 H new ATOM 0 HA2 GLY A 40 23.795 -10.552 6.973 1.00 35.22 H new ATOM 0 HA3 GLY A 40 22.761 -11.962 7.082 1.00 35.22 H new ATOM 594 N ALA A 41 22.865 -11.567 4.519 1.00 63.31 N ATOM 595 CA ALA A 41 22.545 -11.489 3.099 1.00 10.31 C ATOM 596 C ALA A 41 21.055 -11.710 2.859 1.00 3.53 C ATOM 597 O ALA A 41 20.335 -10.789 2.472 1.00 3.14 O ATOM 598 CB ALA A 41 23.364 -12.505 2.316 1.00 12.53 C ATOM 0 H ALA A 41 23.500 -12.326 4.767 1.00 63.31 H new ATOM 0 HA ALA A 41 22.798 -10.488 2.750 1.00 10.31 H new ATOM 0 HB1 ALA A 41 23.114 -12.435 1.257 1.00 12.53 H new ATOM 0 HB2 ALA A 41 24.426 -12.300 2.453 1.00 12.53 H new ATOM 0 HB3 ALA A 41 23.139 -13.509 2.676 1.00 12.53 H new ATOM 604 N VAL A 42 20.599 -12.936 3.091 1.00 73.31 N ATOM 605 CA VAL A 42 19.194 -13.278 2.900 1.00 2.14 C ATOM 606 C VAL A 42 18.448 -13.299 4.230 1.00 44.31 C ATOM 607 O VAL A 42 19.034 -13.574 5.278 1.00 15.24 O ATOM 608 CB VAL A 42 19.038 -14.648 2.215 1.00 31.41 C ATOM 609 CG1 VAL A 42 17.586 -14.891 1.830 1.00 45.52 C ATOM 610 CG2 VAL A 42 19.944 -14.741 0.997 1.00 41.12 C ATOM 0 H VAL A 42 21.182 -13.709 3.412 1.00 73.31 H new ATOM 0 HA VAL A 42 18.765 -12.508 2.258 1.00 2.14 H new ATOM 0 HB VAL A 42 19.336 -15.423 2.921 1.00 31.41 H new ATOM 0 HG11 VAL A 42 17.496 -15.864 1.347 1.00 45.52 H new ATOM 0 HG12 VAL A 42 16.964 -14.871 2.725 1.00 45.52 H new ATOM 0 HG13 VAL A 42 17.257 -14.113 1.142 1.00 45.52 H new ATOM 0 HG21 VAL A 42 19.821 -15.716 0.525 1.00 41.12 H new ATOM 0 HG22 VAL A 42 19.680 -13.958 0.286 1.00 41.12 H new ATOM 0 HG23 VAL A 42 20.982 -14.616 1.305 1.00 41.12 H new ATOM 620 N LEU A 43 17.153 -13.007 4.180 1.00 45.30 N ATOM 621 CA LEU A 43 16.326 -12.992 5.381 1.00 34.31 C ATOM 622 C LEU A 43 15.480 -14.258 5.475 1.00 62.40 C ATOM 623 O LEU A 43 15.234 -14.945 4.483 1.00 21.01 O ATOM 624 CB LEU A 43 15.420 -11.759 5.385 1.00 22.45 C ATOM 625 CG LEU A 43 14.880 -11.318 4.025 1.00 61.44 C ATOM 626 CD1 LEU A 43 14.085 -12.441 3.376 1.00 21.25 C ATOM 627 CD2 LEU A 43 14.022 -10.070 4.170 1.00 21.13 C ATOM 0 H LEU A 43 16.653 -12.778 3.321 1.00 45.30 H new ATOM 0 HA LEU A 43 16.987 -12.953 6.247 1.00 34.31 H new ATOM 0 HB2 LEU A 43 14.574 -11.957 6.043 1.00 22.45 H new ATOM 0 HB3 LEU A 43 15.974 -10.927 5.820 1.00 22.45 H new ATOM 0 HG LEU A 43 15.726 -11.080 3.380 1.00 61.44 H new ATOM 0 HD11 LEU A 43 13.709 -12.108 2.409 1.00 21.25 H new ATOM 0 HD12 LEU A 43 14.729 -13.309 3.236 1.00 21.25 H new ATOM 0 HD13 LEU A 43 13.247 -12.711 4.018 1.00 21.25 H new ATOM 0 HD21 LEU A 43 13.646 -9.771 3.191 1.00 21.13 H new ATOM 0 HD22 LEU A 43 13.182 -10.281 4.832 1.00 21.13 H new ATOM 0 HD23 LEU A 43 14.622 -9.263 4.590 1.00 21.13 H new ATOM 639 N PRO A 44 15.022 -14.575 6.695 1.00 23.42 N ATOM 640 CA PRO A 44 14.195 -15.759 6.947 1.00 11.15 C ATOM 641 C PRO A 44 12.798 -15.628 6.350 1.00 0.41 C ATOM 642 O PRO A 44 12.179 -14.565 6.421 1.00 71.50 O ATOM 643 CB PRO A 44 14.120 -15.820 8.475 1.00 14.01 C ATOM 644 CG PRO A 44 14.334 -14.415 8.921 1.00 2.05 C ATOM 645 CD PRO A 44 15.277 -13.802 7.923 1.00 74.54 C ATOM 0 HA PRO A 44 14.616 -16.655 6.491 1.00 11.15 H new ATOM 0 HB2 PRO A 44 13.154 -16.199 8.809 1.00 14.01 H new ATOM 0 HB3 PRO A 44 14.881 -16.485 8.883 1.00 14.01 H new ATOM 0 HG2 PRO A 44 13.392 -13.868 8.954 1.00 2.05 H new ATOM 0 HG3 PRO A 44 14.755 -14.385 9.926 1.00 2.05 H new ATOM 0 HD2 PRO A 44 15.076 -12.740 7.779 1.00 74.54 H new ATOM 0 HD3 PRO A 44 16.315 -13.889 8.245 1.00 74.54 H new ATOM 653 N HIS A 45 12.306 -16.714 5.762 1.00 45.42 N ATOM 654 CA HIS A 45 10.981 -16.720 5.153 1.00 41.52 C ATOM 655 C HIS A 45 9.900 -16.481 6.202 1.00 32.55 C ATOM 656 O HIS A 45 9.931 -17.066 7.284 1.00 24.34 O ATOM 657 CB HIS A 45 10.731 -18.048 4.438 1.00 0.13 C ATOM 658 CG HIS A 45 10.533 -19.202 5.372 1.00 71.22 C ATOM 659 ND1 HIS A 45 9.368 -19.939 5.421 1.00 3.24 N ATOM 660 CD2 HIS A 45 11.360 -19.747 6.294 1.00 4.12 C ATOM 661 CE1 HIS A 45 9.487 -20.885 6.335 1.00 22.41 C ATOM 662 NE2 HIS A 45 10.687 -20.791 6.879 1.00 21.02 N ATOM 0 H HIS A 45 12.805 -17.601 5.694 1.00 45.42 H new ATOM 0 HA HIS A 45 10.939 -15.911 4.424 1.00 41.52 H new ATOM 0 HB2 HIS A 45 9.850 -17.950 3.803 1.00 0.13 H new ATOM 0 HB3 HIS A 45 11.575 -18.263 3.782 1.00 0.13 H new ATOM 0 HD2 HIS A 45 12.363 -19.421 6.527 1.00 4.12 H new ATOM 0 HE1 HIS A 45 8.731 -21.612 6.594 1.00 22.41 H new ATOM 0 HE2 HIS A 45 11.054 -21.396 7.614 1.00 21.02 H new ATOM 670 N GLY A 46 8.943 -15.618 5.875 1.00 44.31 N ATOM 671 CA GLY A 46 7.867 -15.317 6.800 1.00 13.03 C ATOM 672 C GLY A 46 7.945 -13.903 7.341 1.00 31.12 C ATOM 673 O GLY A 46 6.926 -13.225 7.478 1.00 2.24 O ATOM 0 H GLY A 46 8.894 -15.122 4.985 1.00 44.31 H new ATOM 0 HA2 GLY A 46 6.910 -15.458 6.297 1.00 13.03 H new ATOM 0 HA3 GLY A 46 7.898 -16.022 7.630 1.00 13.03 H new ATOM 677 N THR A 47 9.158 -13.456 7.651 1.00 31.05 N ATOM 678 CA THR A 47 9.365 -12.115 8.183 1.00 23.12 C ATOM 679 C THR A 47 8.740 -11.061 7.276 1.00 24.23 C ATOM 680 O THR A 47 9.119 -10.926 6.113 1.00 3.04 O ATOM 681 CB THR A 47 10.864 -11.804 8.355 1.00 22.51 C ATOM 682 OG1 THR A 47 11.451 -12.722 9.285 1.00 62.04 O ATOM 683 CG2 THR A 47 11.069 -10.379 8.844 1.00 12.33 C ATOM 0 H THR A 47 10.012 -14.003 7.543 1.00 31.05 H new ATOM 0 HA THR A 47 8.881 -12.084 9.159 1.00 23.12 H new ATOM 0 HB THR A 47 11.348 -11.911 7.384 1.00 22.51 H new ATOM 0 HG1 THR A 47 12.196 -12.286 9.749 1.00 62.04 H new ATOM 0 HG21 THR A 47 12.135 -10.183 8.958 1.00 12.33 H new ATOM 0 HG22 THR A 47 10.647 -9.682 8.120 1.00 12.33 H new ATOM 0 HG23 THR A 47 10.572 -10.249 9.805 1.00 12.33 H new ATOM 691 N ALA A 48 7.781 -10.316 7.816 1.00 24.12 N ATOM 692 CA ALA A 48 7.106 -9.272 7.056 1.00 51.02 C ATOM 693 C ALA A 48 7.981 -8.029 6.933 1.00 71.24 C ATOM 694 O ALA A 48 8.737 -7.697 7.845 1.00 23.24 O ATOM 695 CB ALA A 48 5.776 -8.921 7.707 1.00 62.31 C ATOM 0 H ALA A 48 7.454 -10.416 8.777 1.00 24.12 H new ATOM 0 HA ALA A 48 6.918 -9.652 6.052 1.00 51.02 H new ATOM 0 HB1 ALA A 48 5.283 -8.140 7.129 1.00 62.31 H new ATOM 0 HB2 ALA A 48 5.141 -9.806 7.737 1.00 62.31 H new ATOM 0 HB3 ALA A 48 5.951 -8.565 8.722 1.00 62.31 H new ATOM 701 N VAL A 49 7.873 -7.345 5.798 1.00 64.53 N ATOM 702 CA VAL A 49 8.655 -6.139 5.555 1.00 12.44 C ATOM 703 C VAL A 49 7.752 -4.957 5.220 1.00 35.20 C ATOM 704 O VAL A 49 6.861 -5.064 4.378 1.00 70.23 O ATOM 705 CB VAL A 49 9.662 -6.343 4.408 1.00 54.12 C ATOM 706 CG1 VAL A 49 10.582 -5.138 4.284 1.00 22.41 C ATOM 707 CG2 VAL A 49 10.464 -7.617 4.624 1.00 73.32 C ATOM 0 H VAL A 49 7.251 -7.606 5.033 1.00 64.53 H new ATOM 0 HA VAL A 49 9.202 -5.926 6.474 1.00 12.44 H new ATOM 0 HB VAL A 49 9.108 -6.444 3.475 1.00 54.12 H new ATOM 0 HG11 VAL A 49 11.287 -5.301 3.468 1.00 22.41 H new ATOM 0 HG12 VAL A 49 9.989 -4.247 4.079 1.00 22.41 H new ATOM 0 HG13 VAL A 49 11.131 -5.002 5.216 1.00 22.41 H new ATOM 0 HG21 VAL A 49 11.171 -7.745 3.804 1.00 73.32 H new ATOM 0 HG22 VAL A 49 11.009 -7.549 5.565 1.00 73.32 H new ATOM 0 HG23 VAL A 49 9.788 -8.471 4.657 1.00 73.32 H new ATOM 717 N GLU A 50 7.988 -3.831 5.885 1.00 3.31 N ATOM 718 CA GLU A 50 7.195 -2.629 5.657 1.00 11.31 C ATOM 719 C GLU A 50 7.713 -1.856 4.447 1.00 30.23 C ATOM 720 O GLU A 50 8.906 -1.569 4.344 1.00 24.12 O ATOM 721 CB GLU A 50 7.219 -1.732 6.897 1.00 72.21 C ATOM 722 CG GLU A 50 6.585 -0.369 6.675 1.00 75.41 C ATOM 723 CD GLU A 50 6.620 0.500 7.917 1.00 73.30 C ATOM 724 OE1 GLU A 50 6.112 0.053 8.967 1.00 14.50 O ATOM 725 OE2 GLU A 50 7.155 1.625 7.839 1.00 15.32 O ATOM 0 H GLU A 50 8.722 -3.726 6.586 1.00 3.31 H new ATOM 0 HA GLU A 50 6.168 -2.935 5.458 1.00 11.31 H new ATOM 0 HB2 GLU A 50 6.698 -2.237 7.711 1.00 72.21 H new ATOM 0 HB3 GLU A 50 8.252 -1.595 7.216 1.00 72.21 H new ATOM 0 HG2 GLU A 50 7.105 0.142 5.864 1.00 75.41 H new ATOM 0 HG3 GLU A 50 5.551 -0.501 6.357 1.00 75.41 H new ATOM 732 N LEU A 51 6.808 -1.523 3.534 1.00 71.22 N ATOM 733 CA LEU A 51 7.172 -0.784 2.330 1.00 61.22 C ATOM 734 C LEU A 51 6.672 0.655 2.402 1.00 5.13 C ATOM 735 O LEU A 51 5.541 0.965 2.029 1.00 41.05 O ATOM 736 CB LEU A 51 6.598 -1.474 1.091 1.00 14.21 C ATOM 737 CG LEU A 51 7.460 -2.577 0.477 1.00 73.04 C ATOM 738 CD1 LEU A 51 7.588 -3.750 1.435 1.00 24.45 C ATOM 739 CD2 LEU A 51 6.875 -3.033 -0.852 1.00 73.40 C ATOM 0 H LEU A 51 5.817 -1.753 3.604 1.00 71.22 H new ATOM 0 HA LEU A 51 8.260 -0.768 2.258 1.00 61.22 H new ATOM 0 HB2 LEU A 51 5.630 -1.901 1.353 1.00 14.21 H new ATOM 0 HB3 LEU A 51 6.416 -0.716 0.329 1.00 14.21 H new ATOM 0 HG LEU A 51 8.456 -2.174 0.294 1.00 73.04 H new ATOM 0 HD11 LEU A 51 8.205 -4.525 0.981 1.00 24.45 H new ATOM 0 HD12 LEU A 51 8.052 -3.414 2.362 1.00 24.45 H new ATOM 0 HD13 LEU A 51 6.599 -4.154 1.650 1.00 24.45 H new ATOM 0 HD21 LEU A 51 7.501 -3.818 -1.275 1.00 73.40 H new ATOM 0 HD22 LEU A 51 5.868 -3.418 -0.693 1.00 73.40 H new ATOM 0 HD23 LEU A 51 6.836 -2.189 -1.541 1.00 73.40 H new ATOM 751 N PRO A 52 7.535 1.557 2.893 1.00 44.43 N ATOM 752 CA PRO A 52 7.205 2.980 3.023 1.00 72.41 C ATOM 753 C PRO A 52 7.094 3.675 1.671 1.00 43.25 C ATOM 754 O PRO A 52 7.804 3.331 0.725 1.00 13.20 O ATOM 755 CB PRO A 52 8.382 3.546 3.821 1.00 61.32 C ATOM 756 CG PRO A 52 9.514 2.620 3.535 1.00 52.14 C ATOM 757 CD PRO A 52 8.900 1.259 3.357 1.00 25.41 C ATOM 0 HA PRO A 52 6.237 3.132 3.500 1.00 72.41 H new ATOM 0 HB2 PRO A 52 8.616 4.565 3.512 1.00 61.32 H new ATOM 0 HB3 PRO A 52 8.158 3.580 4.887 1.00 61.32 H new ATOM 0 HG2 PRO A 52 10.052 2.926 2.638 1.00 52.14 H new ATOM 0 HG3 PRO A 52 10.234 2.619 4.353 1.00 52.14 H new ATOM 0 HD2 PRO A 52 9.450 0.662 2.629 1.00 25.41 H new ATOM 0 HD3 PRO A 52 8.893 0.696 4.291 1.00 25.41 H new ATOM 765 N ASP A 53 6.201 4.655 1.586 1.00 61.12 N ATOM 766 CA ASP A 53 5.999 5.400 0.349 1.00 51.42 C ATOM 767 C ASP A 53 5.489 4.485 -0.760 1.00 51.20 C ATOM 768 O ASP A 53 6.096 4.387 -1.826 1.00 60.25 O ATOM 769 CB ASP A 53 7.303 6.072 -0.086 1.00 74.41 C ATOM 770 CG ASP A 53 8.024 6.738 1.069 1.00 62.40 C ATOM 771 OD1 ASP A 53 7.418 7.613 1.721 1.00 42.11 O ATOM 772 OD2 ASP A 53 9.195 6.384 1.320 1.00 25.25 O ATOM 0 H ASP A 53 5.606 4.952 2.359 1.00 61.12 H new ATOM 0 HA ASP A 53 5.248 6.168 0.535 1.00 51.42 H new ATOM 0 HB2 ASP A 53 7.958 5.328 -0.539 1.00 74.41 H new ATOM 0 HB3 ASP A 53 7.087 6.816 -0.853 1.00 74.41 H new ATOM 777 N VAL A 54 4.370 3.816 -0.500 1.00 61.04 N ATOM 778 CA VAL A 54 3.778 2.909 -1.476 1.00 62.51 C ATOM 779 C VAL A 54 2.256 2.924 -1.388 1.00 42.03 C ATOM 780 O VAL A 54 1.689 3.028 -0.301 1.00 40.02 O ATOM 781 CB VAL A 54 4.278 1.466 -1.276 1.00 63.51 C ATOM 782 CG1 VAL A 54 3.521 0.507 -2.183 1.00 10.33 C ATOM 783 CG2 VAL A 54 5.776 1.381 -1.530 1.00 11.23 C ATOM 0 H VAL A 54 3.856 3.885 0.378 1.00 61.04 H new ATOM 0 HA VAL A 54 4.086 3.260 -2.461 1.00 62.51 H new ATOM 0 HB VAL A 54 4.090 1.176 -0.242 1.00 63.51 H new ATOM 0 HG11 VAL A 54 3.888 -0.507 -2.027 1.00 10.33 H new ATOM 0 HG12 VAL A 54 2.457 0.548 -1.949 1.00 10.33 H new ATOM 0 HG13 VAL A 54 3.674 0.793 -3.224 1.00 10.33 H new ATOM 0 HG21 VAL A 54 6.112 0.354 -1.384 1.00 11.23 H new ATOM 0 HG22 VAL A 54 5.990 1.691 -2.553 1.00 11.23 H new ATOM 0 HG23 VAL A 54 6.301 2.037 -0.835 1.00 11.23 H new ATOM 793 N GLN A 55 1.602 2.819 -2.540 1.00 55.42 N ATOM 794 CA GLN A 55 0.144 2.822 -2.593 1.00 63.40 C ATOM 795 C GLN A 55 -0.416 4.155 -2.110 1.00 1.31 C ATOM 796 O GLN A 55 -1.400 4.197 -1.371 1.00 31.12 O ATOM 797 CB GLN A 55 -0.420 1.681 -1.744 1.00 65.44 C ATOM 798 CG GLN A 55 -1.823 1.259 -2.148 1.00 31.42 C ATOM 799 CD GLN A 55 -2.061 -0.227 -1.964 1.00 33.21 C ATOM 800 OE1 GLN A 55 -1.241 -1.053 -2.364 1.00 62.42 O ATOM 801 NE2 GLN A 55 -3.189 -0.575 -1.355 1.00 60.32 N ATOM 0 H GLN A 55 2.057 2.731 -3.448 1.00 55.42 H new ATOM 0 HA GLN A 55 -0.157 2.677 -3.631 1.00 63.40 H new ATOM 0 HB2 GLN A 55 0.245 0.821 -1.819 1.00 65.44 H new ATOM 0 HB3 GLN A 55 -0.429 1.987 -0.698 1.00 65.44 H new ATOM 0 HG2 GLN A 55 -2.550 1.816 -1.557 1.00 31.42 H new ATOM 0 HG3 GLN A 55 -1.992 1.524 -3.192 1.00 31.42 H new ATOM 0 HE21 GLN A 55 -3.841 0.143 -1.039 1.00 60.32 H new ATOM 0 HE22 GLN A 55 -3.403 -1.561 -1.203 1.00 60.32 H new ATOM 810 N THR A 56 0.218 5.245 -2.532 1.00 14.42 N ATOM 811 CA THR A 56 -0.216 6.581 -2.141 1.00 73.21 C ATOM 812 C THR A 56 -0.680 7.384 -3.351 1.00 33.02 C ATOM 813 O THR A 56 -0.736 6.868 -4.466 1.00 64.44 O ATOM 814 CB THR A 56 0.911 7.352 -1.429 1.00 21.21 C ATOM 815 OG1 THR A 56 1.990 7.593 -2.339 1.00 1.22 O ATOM 816 CG2 THR A 56 1.421 6.575 -0.224 1.00 52.04 C ATOM 0 H THR A 56 1.034 5.229 -3.144 1.00 14.42 H new ATOM 0 HA THR A 56 -1.050 6.453 -1.451 1.00 73.21 H new ATOM 0 HB THR A 56 0.508 8.304 -1.083 1.00 21.21 H new ATOM 0 HG1 THR A 56 2.702 8.085 -1.879 1.00 1.22 H new ATOM 0 HG21 THR A 56 2.216 7.139 0.263 1.00 52.04 H new ATOM 0 HG22 THR A 56 0.604 6.418 0.480 1.00 52.04 H new ATOM 0 HG23 THR A 56 1.808 5.610 -0.551 1.00 52.04 H new ATOM 824 N ALA A 57 -1.012 8.650 -3.122 1.00 52.44 N ATOM 825 CA ALA A 57 -1.469 9.526 -4.195 1.00 22.22 C ATOM 826 C ALA A 57 -0.484 9.527 -5.359 1.00 75.44 C ATOM 827 O ALA A 57 0.682 9.160 -5.218 1.00 22.31 O ATOM 828 CB ALA A 57 -1.672 10.940 -3.671 1.00 64.04 C ATOM 0 H ALA A 57 -0.973 9.092 -2.204 1.00 52.44 H new ATOM 0 HA ALA A 57 -2.423 9.146 -4.561 1.00 22.22 H new ATOM 0 HB1 ALA A 57 -2.013 11.583 -4.482 1.00 64.04 H new ATOM 0 HB2 ALA A 57 -2.419 10.930 -2.877 1.00 64.04 H new ATOM 0 HB3 ALA A 57 -0.730 11.321 -3.278 1.00 64.04 H new ATOM 834 N PRO A 58 -0.963 9.948 -6.540 1.00 32.35 N ATOM 835 CA PRO A 58 -0.141 10.006 -7.752 1.00 11.11 C ATOM 836 C PRO A 58 0.919 11.099 -7.681 1.00 44.40 C ATOM 837 O PRO A 58 0.657 12.255 -8.013 1.00 50.43 O ATOM 838 CB PRO A 58 -1.157 10.317 -8.854 1.00 64.23 C ATOM 839 CG PRO A 58 -2.276 11.008 -8.155 1.00 22.33 C ATOM 840 CD PRO A 58 -2.344 10.400 -6.781 1.00 64.21 C ATOM 0 HA PRO A 58 0.414 9.082 -7.913 1.00 11.11 H new ATOM 0 HB2 PRO A 58 -0.721 10.951 -9.626 1.00 64.23 H new ATOM 0 HB3 PRO A 58 -1.500 9.406 -9.345 1.00 64.23 H new ATOM 0 HG2 PRO A 58 -2.097 12.082 -8.098 1.00 22.33 H new ATOM 0 HG3 PRO A 58 -3.215 10.869 -8.690 1.00 22.33 H new ATOM 0 HD2 PRO A 58 -2.665 11.127 -6.035 1.00 64.21 H new ATOM 0 HD3 PRO A 58 -3.051 9.571 -6.743 1.00 64.21 H new ATOM 848 N VAL A 59 2.119 10.727 -7.246 1.00 60.32 N ATOM 849 CA VAL A 59 3.220 11.676 -7.133 1.00 62.34 C ATOM 850 C VAL A 59 4.395 11.261 -8.011 1.00 63.25 C ATOM 851 O VAL A 59 5.449 10.869 -7.511 1.00 43.32 O ATOM 852 CB VAL A 59 3.703 11.805 -5.676 1.00 74.14 C ATOM 853 CG1 VAL A 59 2.698 12.593 -4.849 1.00 63.50 C ATOM 854 CG2 VAL A 59 3.943 10.430 -5.071 1.00 51.12 C ATOM 0 H VAL A 59 2.353 9.775 -6.966 1.00 60.32 H new ATOM 0 HA VAL A 59 2.841 12.641 -7.469 1.00 62.34 H new ATOM 0 HB VAL A 59 4.648 12.349 -5.671 1.00 74.14 H new ATOM 0 HG11 VAL A 59 3.056 12.674 -3.823 1.00 63.50 H new ATOM 0 HG12 VAL A 59 2.581 13.591 -5.272 1.00 63.50 H new ATOM 0 HG13 VAL A 59 1.737 12.080 -4.859 1.00 63.50 H new ATOM 0 HG21 VAL A 59 4.284 10.540 -4.041 1.00 51.12 H new ATOM 0 HG22 VAL A 59 3.015 9.858 -5.087 1.00 51.12 H new ATOM 0 HG23 VAL A 59 4.702 9.905 -5.650 1.00 51.12 H new ATOM 864 N ALA A 60 4.207 11.350 -9.324 1.00 34.20 N ATOM 865 CA ALA A 60 5.252 10.986 -10.273 1.00 11.25 C ATOM 866 C ALA A 60 4.796 11.220 -11.709 1.00 14.04 C ATOM 867 O ALA A 60 3.657 10.918 -12.064 1.00 50.11 O ATOM 868 CB ALA A 60 5.661 9.534 -10.076 1.00 75.33 C ATOM 0 H ALA A 60 3.340 11.671 -9.755 1.00 34.20 H new ATOM 0 HA ALA A 60 6.116 11.624 -10.086 1.00 11.25 H new ATOM 0 HB1 ALA A 60 6.442 9.276 -10.791 1.00 75.33 H new ATOM 0 HB2 ALA A 60 6.037 9.396 -9.062 1.00 75.33 H new ATOM 0 HB3 ALA A 60 4.797 8.888 -10.233 1.00 75.33 H new ATOM 874 N GLU A 61 5.692 11.760 -12.529 1.00 14.11 N ATOM 875 CA GLU A 61 5.379 12.035 -13.926 1.00 54.53 C ATOM 876 C GLU A 61 5.953 10.953 -14.836 1.00 2.31 C ATOM 877 O GLU A 61 6.780 11.231 -15.705 1.00 63.43 O ATOM 878 CB GLU A 61 5.927 13.404 -14.335 1.00 10.44 C ATOM 879 CG GLU A 61 5.176 14.040 -15.493 1.00 25.21 C ATOM 880 CD GLU A 61 5.721 13.617 -16.843 1.00 62.43 C ATOM 881 OE1 GLU A 61 6.936 13.789 -17.074 1.00 62.30 O ATOM 882 OE2 GLU A 61 4.931 13.113 -17.669 1.00 65.34 O ATOM 0 H GLU A 61 6.639 12.015 -12.250 1.00 14.11 H new ATOM 0 HA GLU A 61 4.294 12.039 -14.034 1.00 54.53 H new ATOM 0 HB2 GLU A 61 5.887 14.073 -13.476 1.00 10.44 H new ATOM 0 HB3 GLU A 61 6.977 13.299 -14.608 1.00 10.44 H new ATOM 0 HG2 GLU A 61 4.122 13.770 -15.430 1.00 25.21 H new ATOM 0 HG3 GLU A 61 5.233 15.125 -15.406 1.00 25.21 H new ATOM 889 N THR A 62 5.509 9.717 -14.629 1.00 41.31 N ATOM 890 CA THR A 62 5.979 8.593 -15.428 1.00 22.41 C ATOM 891 C THR A 62 4.841 7.630 -15.746 1.00 54.31 C ATOM 892 O THR A 62 3.707 7.828 -15.310 1.00 14.41 O ATOM 893 CB THR A 62 7.101 7.822 -14.707 1.00 64.22 C ATOM 894 OG1 THR A 62 6.720 7.553 -13.353 1.00 41.53 O ATOM 895 CG2 THR A 62 8.400 8.614 -14.726 1.00 62.41 C ATOM 0 H THR A 62 4.824 9.470 -13.914 1.00 41.31 H new ATOM 0 HA THR A 62 6.371 9.008 -16.357 1.00 22.41 H new ATOM 0 HB THR A 62 7.260 6.880 -15.232 1.00 64.22 H new ATOM 0 HG1 THR A 62 7.438 7.061 -12.903 1.00 41.53 H new ATOM 0 HG21 THR A 62 9.178 8.050 -14.211 1.00 62.41 H new ATOM 0 HG22 THR A 62 8.703 8.791 -15.758 1.00 62.41 H new ATOM 0 HG23 THR A 62 8.251 9.569 -14.223 1.00 62.41 H new ATOM 903 N VAL A 63 5.150 6.586 -16.509 1.00 11.42 N ATOM 904 CA VAL A 63 4.152 5.591 -16.884 1.00 43.50 C ATOM 905 C VAL A 63 4.813 4.320 -17.404 1.00 30.32 C ATOM 906 O VAL A 63 5.702 4.372 -18.252 1.00 41.44 O ATOM 907 CB VAL A 63 3.194 6.136 -17.960 1.00 31.30 C ATOM 908 CG1 VAL A 63 3.972 6.603 -19.181 1.00 74.30 C ATOM 909 CG2 VAL A 63 2.168 5.080 -18.343 1.00 23.53 C ATOM 0 H VAL A 63 6.083 6.407 -16.879 1.00 11.42 H new ATOM 0 HA VAL A 63 3.582 5.359 -15.985 1.00 43.50 H new ATOM 0 HB VAL A 63 2.663 6.994 -17.548 1.00 31.30 H new ATOM 0 HG11 VAL A 63 3.278 6.985 -19.930 1.00 74.30 H new ATOM 0 HG12 VAL A 63 4.664 7.394 -18.891 1.00 74.30 H new ATOM 0 HG13 VAL A 63 4.532 5.766 -19.598 1.00 74.30 H new ATOM 0 HG21 VAL A 63 1.499 5.482 -19.104 1.00 23.53 H new ATOM 0 HG22 VAL A 63 2.679 4.202 -18.736 1.00 23.53 H new ATOM 0 HG23 VAL A 63 1.589 4.799 -17.463 1.00 23.53 H new ATOM 919 N ASN A 64 4.371 3.177 -16.889 1.00 23.13 N ATOM 920 CA ASN A 64 4.920 1.890 -17.301 1.00 10.10 C ATOM 921 C ASN A 64 3.865 1.054 -18.018 1.00 71.53 C ATOM 922 O ASN A 64 2.681 1.394 -18.018 1.00 20.44 O ATOM 923 CB ASN A 64 5.453 1.127 -16.087 1.00 21.12 C ATOM 924 CG ASN A 64 6.723 1.741 -15.530 1.00 62.20 C ATOM 925 OD1 ASN A 64 6.753 2.205 -14.390 1.00 45.23 O ATOM 926 ND2 ASN A 64 7.780 1.746 -16.334 1.00 73.35 N ATOM 0 H ASN A 64 3.635 3.116 -16.186 1.00 23.13 H new ATOM 0 HA ASN A 64 5.741 2.078 -17.993 1.00 10.10 H new ATOM 0 HB2 ASN A 64 4.690 1.109 -15.309 1.00 21.12 H new ATOM 0 HB3 ASN A 64 5.646 0.092 -16.368 1.00 21.12 H new ATOM 0 HD21 ASN A 64 8.662 2.145 -16.014 1.00 73.35 H new ATOM 0 HD22 ASN A 64 7.710 1.350 -17.271 1.00 73.35 H new ATOM 933 N LEU A 65 4.302 -0.042 -18.629 1.00 73.22 N ATOM 934 CA LEU A 65 3.395 -0.929 -19.350 1.00 63.14 C ATOM 935 C LEU A 65 4.113 -2.201 -19.790 1.00 22.10 C ATOM 936 O LEU A 65 5.322 -2.194 -20.023 1.00 30.33 O ATOM 937 CB LEU A 65 2.811 -0.212 -20.569 1.00 63.31 C ATOM 938 CG LEU A 65 3.805 0.154 -21.672 1.00 71.02 C ATOM 939 CD1 LEU A 65 3.923 -0.977 -22.682 1.00 34.32 C ATOM 940 CD2 LEU A 65 3.385 1.444 -22.361 1.00 2.40 C ATOM 0 H LEU A 65 5.278 -0.338 -18.640 1.00 73.22 H new ATOM 0 HA LEU A 65 2.584 -1.206 -18.676 1.00 63.14 H new ATOM 0 HB2 LEU A 65 2.036 -0.845 -21.001 1.00 63.31 H new ATOM 0 HB3 LEU A 65 2.323 0.702 -20.229 1.00 63.31 H new ATOM 0 HG LEU A 65 4.783 0.310 -21.216 1.00 71.02 H new ATOM 0 HD11 LEU A 65 4.635 -0.698 -23.459 1.00 34.32 H new ATOM 0 HD12 LEU A 65 4.270 -1.879 -22.179 1.00 34.32 H new ATOM 0 HD13 LEU A 65 2.949 -1.165 -23.133 1.00 34.32 H new ATOM 0 HD21 LEU A 65 4.104 1.689 -23.143 1.00 2.40 H new ATOM 0 HD22 LEU A 65 2.397 1.315 -22.803 1.00 2.40 H new ATOM 0 HD23 LEU A 65 3.353 2.253 -21.631 1.00 2.40 H new ATOM 952 N TRP A 66 3.361 -3.289 -19.903 1.00 73.43 N ATOM 953 CA TRP A 66 3.925 -4.569 -20.318 1.00 2.15 C ATOM 954 C TRP A 66 3.267 -5.065 -21.600 1.00 50.44 C ATOM 955 O TRP A 66 2.187 -4.606 -21.971 1.00 43.51 O ATOM 956 CB TRP A 66 3.755 -5.608 -19.208 1.00 0.10 C ATOM 957 CG TRP A 66 4.255 -5.140 -17.875 1.00 22.43 C ATOM 958 CD1 TRP A 66 5.546 -4.841 -17.543 1.00 15.54 C ATOM 959 CD2 TRP A 66 3.474 -4.922 -16.695 1.00 40.40 C ATOM 960 NE1 TRP A 66 5.613 -4.448 -16.227 1.00 65.45 N ATOM 961 CE2 TRP A 66 4.356 -4.489 -15.686 1.00 1.34 C ATOM 962 CE3 TRP A 66 2.115 -5.047 -16.394 1.00 3.03 C ATOM 963 CZ2 TRP A 66 3.922 -4.183 -14.399 1.00 15.03 C ATOM 964 CZ3 TRP A 66 1.686 -4.744 -15.116 1.00 14.52 C ATOM 965 CH2 TRP A 66 2.586 -4.315 -14.131 1.00 50.14 C ATOM 0 H TRP A 66 2.359 -3.311 -19.713 1.00 73.43 H new ATOM 0 HA TRP A 66 4.988 -4.423 -20.511 1.00 2.15 H new ATOM 0 HB2 TRP A 66 2.700 -5.868 -19.122 1.00 0.10 H new ATOM 0 HB3 TRP A 66 4.285 -6.518 -19.488 1.00 0.10 H new ATOM 0 HD1 TRP A 66 6.389 -4.904 -18.215 1.00 15.54 H new ATOM 0 HE1 TRP A 66 6.462 -4.171 -15.734 1.00 65.45 H new ATOM 0 HE3 TRP A 66 1.413 -5.374 -17.147 1.00 3.03 H new ATOM 0 HZ2 TRP A 66 4.615 -3.853 -13.639 1.00 15.03 H new ATOM 0 HZ3 TRP A 66 0.638 -4.839 -14.872 1.00 14.52 H new ATOM 0 HH2 TRP A 66 2.219 -4.084 -13.142 1.00 50.14 H new ATOM 976 N GLU A 67 3.924 -6.004 -22.273 1.00 44.13 N ATOM 977 CA GLU A 67 3.401 -6.560 -23.515 1.00 63.44 C ATOM 978 C GLU A 67 3.892 -7.991 -23.720 1.00 42.31 C ATOM 979 O GLU A 67 5.056 -8.218 -24.051 1.00 31.31 O ATOM 980 CB GLU A 67 3.817 -5.692 -24.704 1.00 43.34 C ATOM 981 CG GLU A 67 3.457 -6.293 -26.053 1.00 0.43 C ATOM 982 CD GLU A 67 3.409 -5.257 -27.159 1.00 11.30 C ATOM 983 OE1 GLU A 67 2.907 -4.141 -26.907 1.00 21.51 O ATOM 984 OE2 GLU A 67 3.874 -5.562 -28.277 1.00 51.13 O ATOM 0 H GLU A 67 4.819 -6.395 -21.979 1.00 44.13 H new ATOM 0 HA GLU A 67 2.313 -6.573 -23.447 1.00 63.44 H new ATOM 0 HB2 GLU A 67 3.343 -4.715 -24.613 1.00 43.34 H new ATOM 0 HB3 GLU A 67 4.894 -5.529 -24.664 1.00 43.34 H new ATOM 0 HG2 GLU A 67 4.187 -7.061 -26.311 1.00 0.43 H new ATOM 0 HG3 GLU A 67 2.488 -6.786 -25.980 1.00 0.43 H new ATOM 991 N VAL A 68 2.996 -8.952 -23.520 1.00 41.01 N ATOM 992 CA VAL A 68 3.336 -10.360 -23.683 1.00 24.32 C ATOM 993 C VAL A 68 2.666 -10.949 -24.919 1.00 14.40 C ATOM 994 O VAL A 68 3.156 -11.914 -25.503 1.00 23.45 O ATOM 995 CB VAL A 68 2.925 -11.184 -22.448 1.00 15.41 C ATOM 996 CG1 VAL A 68 3.698 -10.728 -21.220 1.00 11.11 C ATOM 997 CG2 VAL A 68 1.425 -11.078 -22.213 1.00 42.25 C ATOM 0 H VAL A 68 2.029 -8.781 -23.245 1.00 41.01 H new ATOM 0 HA VAL A 68 4.418 -10.411 -23.801 1.00 24.32 H new ATOM 0 HB VAL A 68 3.169 -12.230 -22.633 1.00 15.41 H new ATOM 0 HG11 VAL A 68 3.394 -11.321 -20.358 1.00 11.11 H new ATOM 0 HG12 VAL A 68 4.766 -10.860 -21.393 1.00 11.11 H new ATOM 0 HG13 VAL A 68 3.488 -9.676 -21.028 1.00 11.11 H new ATOM 0 HG21 VAL A 68 1.152 -11.666 -21.337 1.00 42.25 H new ATOM 0 HG22 VAL A 68 1.155 -10.035 -22.049 1.00 42.25 H new ATOM 0 HG23 VAL A 68 0.892 -11.457 -23.085 1.00 42.25 H new ATOM 1007 N GLU A 69 1.541 -10.359 -25.313 1.00 1.24 N ATOM 1008 CA GLU A 69 0.803 -10.826 -26.480 1.00 52.52 C ATOM 1009 C GLU A 69 1.547 -10.483 -27.767 1.00 65.24 C ATOM 1010 O GLU A 69 1.269 -9.469 -28.408 1.00 72.23 O ATOM 1011 CB GLU A 69 -0.596 -10.207 -26.507 1.00 53.45 C ATOM 1012 CG GLU A 69 -1.541 -10.792 -25.471 1.00 51.23 C ATOM 1013 CD GLU A 69 -2.052 -12.166 -25.858 1.00 23.32 C ATOM 1014 OE1 GLU A 69 -2.939 -12.246 -26.733 1.00 1.12 O ATOM 1015 OE2 GLU A 69 -1.563 -13.163 -25.285 1.00 12.33 O ATOM 0 H GLU A 69 1.122 -9.558 -24.841 1.00 1.24 H new ATOM 0 HA GLU A 69 0.712 -11.910 -26.411 1.00 52.52 H new ATOM 0 HB2 GLU A 69 -0.512 -9.133 -26.344 1.00 53.45 H new ATOM 0 HB3 GLU A 69 -1.027 -10.346 -27.499 1.00 53.45 H new ATOM 0 HG2 GLU A 69 -1.028 -10.856 -24.512 1.00 51.23 H new ATOM 0 HG3 GLU A 69 -2.387 -10.119 -25.335 1.00 51.23 H new ATOM 1022 N HIS A 70 2.497 -11.336 -28.140 1.00 34.22 N ATOM 1023 CA HIS A 70 3.282 -11.125 -29.350 1.00 43.14 C ATOM 1024 C HIS A 70 2.519 -11.600 -30.583 1.00 61.01 C ATOM 1025 O HIS A 70 2.139 -12.768 -30.679 1.00 2.50 O ATOM 1026 CB HIS A 70 4.620 -11.859 -29.250 1.00 51.42 C ATOM 1027 CG HIS A 70 5.707 -11.039 -28.626 1.00 21.35 C ATOM 1028 ND1 HIS A 70 6.275 -9.945 -29.244 1.00 32.42 N ATOM 1029 CD2 HIS A 70 6.329 -11.159 -27.429 1.00 44.45 C ATOM 1030 CE1 HIS A 70 7.201 -9.428 -28.456 1.00 34.31 C ATOM 1031 NE2 HIS A 70 7.253 -10.146 -27.348 1.00 42.23 N ATOM 0 H HIS A 70 2.741 -12.179 -27.621 1.00 34.22 H new ATOM 0 HA HIS A 70 3.469 -10.056 -29.450 1.00 43.14 H new ATOM 0 HB2 HIS A 70 4.483 -12.770 -28.667 1.00 51.42 H new ATOM 0 HB3 HIS A 70 4.934 -12.164 -30.248 1.00 51.42 H new ATOM 0 HD2 HIS A 70 6.135 -11.911 -26.678 1.00 44.45 H new ATOM 0 HE1 HIS A 70 7.811 -8.566 -28.679 1.00 34.31 H new ATOM 0 HE2 HIS A 70 7.878 -9.976 -26.560 1.00 42.23 H new ATOM 1039 N HIS A 71 2.297 -10.688 -31.524 1.00 43.41 N ATOM 1040 CA HIS A 71 1.579 -11.014 -32.751 1.00 41.30 C ATOM 1041 C HIS A 71 0.242 -11.678 -32.437 1.00 72.05 C ATOM 1042 O HIS A 71 -0.019 -12.802 -32.867 1.00 31.43 O ATOM 1043 CB HIS A 71 2.424 -11.933 -33.633 1.00 24.43 C ATOM 1044 CG HIS A 71 2.093 -11.837 -35.090 1.00 40.51 C ATOM 1045 ND1 HIS A 71 1.487 -12.856 -35.794 1.00 22.15 N ATOM 1046 CD2 HIS A 71 2.285 -10.832 -35.977 1.00 12.03 C ATOM 1047 CE1 HIS A 71 1.322 -12.484 -37.050 1.00 43.42 C ATOM 1048 NE2 HIS A 71 1.798 -11.259 -37.188 1.00 14.15 N ATOM 0 H HIS A 71 2.604 -9.717 -31.460 1.00 43.41 H new ATOM 0 HA HIS A 71 1.386 -10.085 -33.288 1.00 41.30 H new ATOM 0 HB2 HIS A 71 3.477 -11.690 -33.492 1.00 24.43 H new ATOM 0 HB3 HIS A 71 2.287 -12.964 -33.305 1.00 24.43 H new ATOM 0 HD2 HIS A 71 2.737 -9.873 -35.771 1.00 12.03 H new ATOM 0 HE1 HIS A 71 0.874 -13.080 -37.832 1.00 43.42 H new ATOM 0 HE2 HIS A 71 1.803 -10.719 -38.053 1.00 14.15 H new TER 1056 HIS A 71