USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 494 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 29 TYR OH : rot 15:sc= 0.612 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -112:sc= 0.938 (180deg=0.00359) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.324 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=0.000173 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 29:sc= 0.154 USER MOD Single : A 37 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-7.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.42 F(o=-2.4!,f=-1.4) USER MOD Single : A 44 TYR OH : rot 120:sc= 0.0628 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.181 (180deg=-0.68) USER MOD Single : A 48 TYR OH : rot 84:sc= 0.239 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 85:sc= 0.868 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.077 K(o=-0.077,f=-2!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.215 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.285 5.055 1.952 1.00 0.00 N ATOM 2 CA GLY A 1 -26.783 3.866 1.286 1.00 0.00 C ATOM 3 C GLY A 1 -27.455 2.903 2.244 1.00 0.00 C ATOM 4 O GLY A 1 -28.512 2.351 1.940 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.911 5.719 1.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.060 5.509 2.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.527 4.791 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.492 4.157 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.957 3.360 0.787 1.00 0.00 H new ATOM 8 N SER A 2 -26.841 2.700 3.405 1.00 0.00 N ATOM 9 CA SER A 2 -27.384 1.793 4.409 1.00 0.00 C ATOM 10 C SER A 2 -26.693 1.995 5.754 1.00 0.00 C ATOM 11 O SER A 2 -25.531 2.397 5.813 1.00 0.00 O ATOM 12 CB SER A 2 -27.225 0.341 3.954 1.00 0.00 C ATOM 13 OG SER A 2 -28.168 -0.501 4.595 1.00 0.00 O ATOM 0 H SER A 2 -25.967 3.152 3.674 1.00 0.00 H new ATOM 0 HA SER A 2 -28.444 2.015 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.353 0.279 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.215 -0.004 4.175 1.00 0.00 H new ATOM 0 HG SER A 2 -28.047 -1.423 4.286 1.00 0.00 H new ATOM 19 N SER A 3 -27.416 1.712 6.832 1.00 0.00 N ATOM 20 CA SER A 3 -26.876 1.865 8.178 1.00 0.00 C ATOM 21 C SER A 3 -25.912 0.730 8.509 1.00 0.00 C ATOM 22 O SER A 3 -26.193 -0.437 8.239 1.00 0.00 O ATOM 23 CB SER A 3 -28.009 1.903 9.205 1.00 0.00 C ATOM 24 OG SER A 3 -28.995 2.853 8.841 1.00 0.00 O ATOM 0 H SER A 3 -28.378 1.375 6.800 1.00 0.00 H new ATOM 0 HA SER A 3 -26.329 2.807 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.463 0.916 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.606 2.151 10.187 1.00 0.00 H new ATOM 0 HG SER A 3 -29.709 2.857 9.512 1.00 0.00 H new ATOM 30 N GLY A 4 -24.772 1.082 9.096 1.00 0.00 N ATOM 31 CA GLY A 4 -23.782 0.083 9.455 1.00 0.00 C ATOM 32 C GLY A 4 -22.396 0.673 9.619 1.00 0.00 C ATOM 33 O GLY A 4 -22.235 1.746 10.200 1.00 0.00 O ATOM 0 H GLY A 4 -24.516 2.041 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.080 -0.401 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.756 -0.690 8.687 1.00 0.00 H new ATOM 37 N SER A 5 -21.391 -0.031 9.106 1.00 0.00 N ATOM 38 CA SER A 5 -20.010 0.427 9.204 1.00 0.00 C ATOM 39 C SER A 5 -19.890 1.887 8.776 1.00 0.00 C ATOM 40 O SER A 5 -20.079 2.220 7.607 1.00 0.00 O ATOM 41 CB SER A 5 -19.099 -0.446 8.339 1.00 0.00 C ATOM 42 OG SER A 5 -19.586 -0.533 7.011 1.00 0.00 O ATOM 0 H SER A 5 -21.507 -0.920 8.619 1.00 0.00 H new ATOM 0 HA SER A 5 -19.699 0.345 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.091 -0.031 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.030 -1.445 8.771 1.00 0.00 H new ATOM 0 HG SER A 5 -19.896 0.349 6.718 1.00 0.00 H new ATOM 48 N SER A 6 -19.574 2.753 9.734 1.00 0.00 N ATOM 49 CA SER A 6 -19.432 4.178 9.459 1.00 0.00 C ATOM 50 C SER A 6 -18.517 4.841 10.484 1.00 0.00 C ATOM 51 O SER A 6 -18.874 4.981 11.653 1.00 0.00 O ATOM 52 CB SER A 6 -20.802 4.859 9.466 1.00 0.00 C ATOM 53 OG SER A 6 -20.670 6.270 9.452 1.00 0.00 O ATOM 0 H SER A 6 -19.412 2.493 10.707 1.00 0.00 H new ATOM 0 HA SER A 6 -18.983 4.289 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.377 4.536 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.360 4.552 10.350 1.00 0.00 H new ATOM 0 HG SER A 6 -21.559 6.682 9.455 1.00 0.00 H new ATOM 59 N GLY A 7 -17.332 5.247 10.036 1.00 0.00 N ATOM 60 CA GLY A 7 -16.383 5.889 10.925 1.00 0.00 C ATOM 61 C GLY A 7 -16.398 7.400 10.796 1.00 0.00 C ATOM 62 O GLY A 7 -16.890 7.939 9.805 1.00 0.00 O ATOM 0 H GLY A 7 -17.013 5.142 9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.610 5.613 11.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.381 5.519 10.710 1.00 0.00 H new ATOM 66 N MET A 8 -15.858 8.083 11.800 1.00 0.00 N ATOM 67 CA MET A 8 -15.812 9.541 11.793 1.00 0.00 C ATOM 68 C MET A 8 -15.232 10.061 10.481 1.00 0.00 C ATOM 69 O MET A 8 -14.455 9.384 9.807 1.00 0.00 O ATOM 70 CB MET A 8 -14.979 10.051 12.970 1.00 0.00 C ATOM 71 CG MET A 8 -15.753 10.124 14.276 1.00 0.00 C ATOM 72 SD MET A 8 -17.238 11.139 14.148 1.00 0.00 S ATOM 73 CE MET A 8 -17.992 10.839 15.745 1.00 0.00 C ATOM 0 H MET A 8 -15.447 7.651 12.628 1.00 0.00 H new ATOM 0 HA MET A 8 -16.832 9.912 11.891 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.117 9.398 13.104 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.594 11.042 12.730 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.032 9.117 14.585 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.107 10.529 15.055 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.924 11.400 15.819 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.200 9.775 15.855 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.312 11.159 16.534 1.00 0.00 H new ATOM 83 N PRO A 9 -15.618 11.290 10.109 1.00 0.00 N ATOM 84 CA PRO A 9 -15.147 11.927 8.875 1.00 0.00 C ATOM 85 C PRO A 9 -13.671 12.304 8.943 1.00 0.00 C ATOM 86 O PRO A 9 -13.115 12.849 7.990 1.00 0.00 O ATOM 87 CB PRO A 9 -16.016 13.183 8.771 1.00 0.00 C ATOM 88 CG PRO A 9 -16.416 13.484 10.174 1.00 0.00 C ATOM 89 CD PRO A 9 -16.542 12.153 10.863 1.00 0.00 C ATOM 0 HA PRO A 9 -15.230 11.262 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.462 14.012 8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.887 13.010 8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.671 14.109 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.359 14.029 10.202 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.264 12.217 11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.564 11.776 10.826 1.00 0.00 H new ATOM 97 N SER A 10 -13.042 12.010 10.076 1.00 0.00 N ATOM 98 CA SER A 10 -11.631 12.321 10.270 1.00 0.00 C ATOM 99 C SER A 10 -10.862 11.089 10.738 1.00 0.00 C ATOM 100 O SER A 10 -10.668 10.883 11.936 1.00 0.00 O ATOM 101 CB SER A 10 -11.471 13.452 11.287 1.00 0.00 C ATOM 102 OG SER A 10 -11.568 14.720 10.661 1.00 0.00 O ATOM 0 H SER A 10 -13.487 11.557 10.874 1.00 0.00 H new ATOM 0 HA SER A 10 -11.221 12.642 9.313 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.237 13.364 12.057 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.506 13.362 11.786 1.00 0.00 H new ATOM 0 HG SER A 10 -11.464 15.425 11.333 1.00 0.00 H new ATOM 108 N ARG A 11 -10.426 10.273 9.783 1.00 0.00 N ATOM 109 CA ARG A 11 -9.680 9.061 10.096 1.00 0.00 C ATOM 110 C ARG A 11 -8.305 9.083 9.435 1.00 0.00 C ATOM 111 O ARG A 11 -8.129 9.660 8.361 1.00 0.00 O ATOM 112 CB ARG A 11 -10.457 7.825 9.639 1.00 0.00 C ATOM 113 CG ARG A 11 -10.163 6.582 10.461 1.00 0.00 C ATOM 114 CD ARG A 11 -11.286 5.562 10.352 1.00 0.00 C ATOM 115 NE ARG A 11 -11.330 4.670 11.507 1.00 0.00 N ATOM 116 CZ ARG A 11 -11.927 4.981 12.653 1.00 0.00 C ATOM 117 NH1 ARG A 11 -12.527 6.155 12.794 1.00 0.00 N ATOM 118 NH2 ARG A 11 -11.925 4.117 13.659 1.00 0.00 N ATOM 0 H ARG A 11 -10.577 10.430 8.787 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.545 9.017 11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.525 8.039 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.220 7.624 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.229 6.134 10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.023 6.860 11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.240 6.082 10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.154 4.973 9.444 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.878 3.759 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.531 6.822 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.985 6.391 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.465 3.213 13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.383 4.357 14.538 1.00 0.00 H new ATOM 132 N LYS A 12 -7.332 8.451 10.083 1.00 0.00 N ATOM 133 CA LYS A 12 -5.972 8.397 9.559 1.00 0.00 C ATOM 134 C LYS A 12 -5.980 8.227 8.043 1.00 0.00 C ATOM 135 O LYS A 12 -5.133 8.781 7.342 1.00 0.00 O ATOM 136 CB LYS A 12 -5.199 7.247 10.208 1.00 0.00 C ATOM 137 CG LYS A 12 -3.691 7.405 10.124 1.00 0.00 C ATOM 138 CD LYS A 12 -2.979 6.477 11.094 1.00 0.00 C ATOM 139 CE LYS A 12 -1.526 6.882 11.288 1.00 0.00 C ATOM 140 NZ LYS A 12 -0.705 5.764 11.830 1.00 0.00 N ATOM 0 H LYS A 12 -7.460 7.969 10.973 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.479 9.339 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.490 7.170 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.485 6.311 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.358 7.195 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.420 8.438 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.493 6.490 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.026 5.454 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.110 7.209 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.474 7.733 11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.279 6.081 11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.086 5.468 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.733 4.961 11.170 1.00 0.00 H new ATOM 154 N PHE A 13 -6.942 7.459 7.543 1.00 0.00 N ATOM 155 CA PHE A 13 -7.060 7.216 6.110 1.00 0.00 C ATOM 156 C PHE A 13 -8.515 7.315 5.660 1.00 0.00 C ATOM 157 O PHE A 13 -9.368 6.549 6.108 1.00 0.00 O ATOM 158 CB PHE A 13 -6.497 5.838 5.756 1.00 0.00 C ATOM 159 CG PHE A 13 -5.183 5.539 6.420 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.058 6.294 6.130 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.074 4.503 7.334 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.848 6.020 6.739 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.866 4.225 7.946 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.752 4.985 7.649 1.00 0.00 C ATOM 0 H PHE A 13 -7.652 6.994 8.109 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.484 7.980 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.221 5.074 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.372 5.772 4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.127 7.105 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.942 3.906 7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.978 6.615 6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.794 3.414 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.808 4.771 8.127 1.00 0.00 H new ATOM 174 N ALA A 14 -8.789 8.263 4.770 1.00 0.00 N ATOM 175 CA ALA A 14 -10.139 8.462 4.258 1.00 0.00 C ATOM 176 C ALA A 14 -10.526 7.353 3.284 1.00 0.00 C ATOM 177 O ALA A 14 -9.677 6.815 2.574 1.00 0.00 O ATOM 178 CB ALA A 14 -10.254 9.821 3.584 1.00 0.00 C ATOM 0 H ALA A 14 -8.094 8.905 4.389 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.829 8.427 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.268 9.955 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.029 10.606 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.548 9.877 2.755 1.00 0.00 H new ATOM 184 N ASP A 15 -11.810 7.017 3.258 1.00 0.00 N ATOM 185 CA ASP A 15 -12.309 5.972 2.371 1.00 0.00 C ATOM 186 C ASP A 15 -12.035 6.321 0.912 1.00 0.00 C ATOM 187 O ASP A 15 -12.578 7.290 0.383 1.00 0.00 O ATOM 188 CB ASP A 15 -13.809 5.764 2.586 1.00 0.00 C ATOM 189 CG ASP A 15 -14.124 5.192 3.954 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.604 4.104 4.276 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.893 5.832 4.703 1.00 0.00 O ATOM 0 H ASP A 15 -12.525 7.453 3.841 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.784 5.047 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.326 6.716 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.194 5.093 1.818 1.00 0.00 H new ATOM 196 N GLY A 16 -11.188 5.525 0.267 1.00 0.00 N ATOM 197 CA GLY A 16 -10.856 5.767 -1.125 1.00 0.00 C ATOM 198 C GLY A 16 -9.497 6.419 -1.292 1.00 0.00 C ATOM 199 O GLY A 16 -8.950 6.453 -2.393 1.00 0.00 O ATOM 0 H GLY A 16 -10.726 4.717 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.872 4.822 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.619 6.405 -1.572 1.00 0.00 H new ATOM 203 N GLU A 17 -8.953 6.938 -0.195 1.00 0.00 N ATOM 204 CA GLU A 17 -7.652 7.595 -0.227 1.00 0.00 C ATOM 205 C GLU A 17 -6.553 6.606 -0.607 1.00 0.00 C ATOM 206 O GLU A 17 -6.599 5.435 -0.231 1.00 0.00 O ATOM 207 CB GLU A 17 -7.339 8.223 1.133 1.00 0.00 C ATOM 208 CG GLU A 17 -6.350 9.374 1.059 1.00 0.00 C ATOM 209 CD GLU A 17 -5.527 9.518 2.324 1.00 0.00 C ATOM 210 OE1 GLU A 17 -6.107 9.406 3.424 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.303 9.742 2.214 1.00 0.00 O ATOM 0 H GLU A 17 -9.393 6.916 0.725 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.689 8.380 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.266 8.580 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.940 7.455 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.682 9.220 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.891 10.302 0.875 1.00 0.00 H new ATOM 218 N VAL A 18 -5.566 7.086 -1.357 1.00 0.00 N ATOM 219 CA VAL A 18 -4.455 6.247 -1.788 1.00 0.00 C ATOM 220 C VAL A 18 -3.288 6.334 -0.811 1.00 0.00 C ATOM 221 O VAL A 18 -2.568 7.332 -0.774 1.00 0.00 O ATOM 222 CB VAL A 18 -3.964 6.643 -3.193 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.813 5.749 -3.629 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.108 6.579 -4.194 1.00 0.00 C ATOM 0 H VAL A 18 -5.514 8.053 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.826 5.222 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.600 7.670 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.480 6.044 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.987 5.850 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.146 4.711 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.744 6.862 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.503 5.564 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.898 7.265 -3.888 1.00 0.00 H new ATOM 234 N VAL A 19 -3.106 5.282 -0.019 1.00 0.00 N ATOM 235 CA VAL A 19 -2.025 5.238 0.958 1.00 0.00 C ATOM 236 C VAL A 19 -1.135 4.020 0.740 1.00 0.00 C ATOM 237 O VAL A 19 -1.325 3.262 -0.212 1.00 0.00 O ATOM 238 CB VAL A 19 -2.571 5.211 2.398 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.307 6.503 2.715 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.478 4.007 2.600 1.00 0.00 C ATOM 0 H VAL A 19 -3.694 4.449 -0.035 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.435 6.144 0.818 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.730 5.123 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.685 6.465 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.623 7.346 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.141 6.626 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.855 4.003 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.316 4.062 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.914 3.092 2.418 1.00 0.00 H new ATOM 250 N ARG A 20 -0.164 3.836 1.628 1.00 0.00 N ATOM 251 CA ARG A 20 0.756 2.709 1.533 1.00 0.00 C ATOM 252 C ARG A 20 0.491 1.695 2.642 1.00 0.00 C ATOM 253 O ARG A 20 0.324 2.061 3.804 1.00 0.00 O ATOM 254 CB ARG A 20 2.204 3.197 1.609 1.00 0.00 C ATOM 255 CG ARG A 20 2.632 4.023 0.407 1.00 0.00 C ATOM 256 CD ARG A 20 4.136 3.954 0.191 1.00 0.00 C ATOM 257 NE ARG A 20 4.624 5.065 -0.622 1.00 0.00 N ATOM 258 CZ ARG A 20 4.394 5.178 -1.925 1.00 0.00 C ATOM 259 NH1 ARG A 20 3.687 4.253 -2.560 1.00 0.00 N ATOM 260 NH2 ARG A 20 4.871 6.218 -2.597 1.00 0.00 N ATOM 0 H ARG A 20 0.006 4.453 2.422 1.00 0.00 H new ATOM 0 HA ARG A 20 0.594 2.221 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.331 3.793 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.865 2.335 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.118 3.663 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.331 5.061 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.642 3.962 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.390 3.011 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 20 5.171 5.794 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.318 3.452 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.512 4.343 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.415 6.932 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.694 6.303 -3.598 1.00 0.00 H new ATOM 274 N GLY A 21 0.453 0.418 2.272 1.00 0.00 N ATOM 275 CA GLY A 21 0.207 -0.629 3.247 1.00 0.00 C ATOM 276 C GLY A 21 1.348 -1.623 3.330 1.00 0.00 C ATOM 277 O GLY A 21 1.925 -2.003 2.310 1.00 0.00 O ATOM 0 H GLY A 21 0.588 0.090 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.049 -0.179 4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.711 -1.155 2.987 1.00 0.00 H new ATOM 281 N ARG A 22 1.676 -2.046 4.547 1.00 0.00 N ATOM 282 CA ARG A 22 2.757 -3.000 4.759 1.00 0.00 C ATOM 283 C ARG A 22 2.269 -4.430 4.550 1.00 0.00 C ATOM 284 O ARG A 22 1.580 -4.992 5.402 1.00 0.00 O ATOM 285 CB ARG A 22 3.332 -2.846 6.168 1.00 0.00 C ATOM 286 CG ARG A 22 4.674 -3.535 6.356 1.00 0.00 C ATOM 287 CD ARG A 22 5.261 -3.246 7.729 1.00 0.00 C ATOM 288 NE ARG A 22 4.412 -3.750 8.805 1.00 0.00 N ATOM 289 CZ ARG A 22 4.425 -5.012 9.222 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.241 -5.891 8.656 1.00 0.00 N ATOM 291 NH2 ARG A 22 3.623 -5.395 10.207 1.00 0.00 N ATOM 0 H ARG A 22 1.208 -1.743 5.401 1.00 0.00 H new ATOM 0 HA ARG A 22 3.540 -2.792 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.443 -1.785 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.621 -3.251 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.553 -4.611 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.367 -3.200 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.249 -3.701 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.395 -2.171 7.847 1.00 0.00 H new ATOM 0 HE ARG A 22 3.774 -3.098 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.860 -5.599 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.250 -6.859 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.995 -4.721 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.634 -6.364 10.526 1.00 0.00 H new ATOM 305 N TRP A 23 2.629 -5.012 3.412 1.00 0.00 N ATOM 306 CA TRP A 23 2.227 -6.377 3.091 1.00 0.00 C ATOM 307 C TRP A 23 2.224 -7.252 4.340 1.00 0.00 C ATOM 308 O TRP A 23 3.109 -7.163 5.191 1.00 0.00 O ATOM 309 CB TRP A 23 3.164 -6.973 2.039 1.00 0.00 C ATOM 310 CG TRP A 23 2.551 -8.104 1.270 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.831 -9.434 1.405 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.556 -8.004 0.245 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.071 -10.166 0.526 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.280 -9.312 -0.196 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.871 -6.936 -0.341 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.348 -9.579 -1.196 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.052 -7.203 -1.334 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.308 -8.515 -1.753 1.00 0.00 C ATOM 0 H TRP A 23 3.198 -4.561 2.696 1.00 0.00 H new ATOM 0 HA TRP A 23 1.214 -6.345 2.689 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.462 -6.189 1.343 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.071 -7.326 2.529 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.545 -9.849 2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.092 -11.181 0.427 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.060 -5.921 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.150 -10.590 -1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.586 -6.385 -1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.037 -8.690 -2.530 1.00 0.00 H new ATOM 329 N PRO A 24 1.206 -8.118 4.455 1.00 0.00 N ATOM 330 CA PRO A 24 1.064 -9.026 5.597 1.00 0.00 C ATOM 331 C PRO A 24 2.125 -10.121 5.602 1.00 0.00 C ATOM 332 O PRO A 24 2.154 -10.966 6.495 1.00 0.00 O ATOM 333 CB PRO A 24 -0.328 -9.631 5.398 1.00 0.00 C ATOM 334 CG PRO A 24 -0.578 -9.532 3.933 1.00 0.00 C ATOM 335 CD PRO A 24 0.116 -8.278 3.478 1.00 0.00 C ATOM 0 HA PRO A 24 1.186 -8.507 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.362 -10.667 5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.082 -9.086 5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.188 -10.405 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.646 -9.485 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.498 -8.376 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.558 -7.421 3.484 1.00 0.00 H new ATOM 343 N GLY A 25 2.997 -10.099 4.598 1.00 0.00 N ATOM 344 CA GLY A 25 4.048 -11.095 4.507 1.00 0.00 C ATOM 345 C GLY A 25 5.434 -10.482 4.550 1.00 0.00 C ATOM 346 O GLY A 25 6.362 -11.067 5.108 1.00 0.00 O ATOM 0 H GLY A 25 2.994 -9.409 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.943 -11.805 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.932 -11.658 3.581 1.00 0.00 H new ATOM 350 N SER A 26 5.575 -9.300 3.959 1.00 0.00 N ATOM 351 CA SER A 26 6.858 -8.609 3.928 1.00 0.00 C ATOM 352 C SER A 26 6.788 -7.297 4.703 1.00 0.00 C ATOM 353 O SER A 26 5.708 -6.748 4.919 1.00 0.00 O ATOM 354 CB SER A 26 7.281 -8.338 2.482 1.00 0.00 C ATOM 355 OG SER A 26 8.692 -8.284 2.365 1.00 0.00 O ATOM 0 H SER A 26 4.816 -8.801 3.495 1.00 0.00 H new ATOM 0 HA SER A 26 7.600 -9.252 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.889 -9.120 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.849 -7.396 2.144 1.00 0.00 H new ATOM 0 HG SER A 26 8.937 -8.112 1.432 1.00 0.00 H new ATOM 361 N SER A 27 7.949 -6.800 5.119 1.00 0.00 N ATOM 362 CA SER A 27 8.020 -5.554 5.874 1.00 0.00 C ATOM 363 C SER A 27 8.169 -4.359 4.938 1.00 0.00 C ATOM 364 O SER A 27 8.761 -3.342 5.300 1.00 0.00 O ATOM 365 CB SER A 27 9.192 -5.596 6.857 1.00 0.00 C ATOM 366 OG SER A 27 10.403 -5.913 6.194 1.00 0.00 O ATOM 0 H SER A 27 8.852 -7.241 4.946 1.00 0.00 H new ATOM 0 HA SER A 27 7.090 -5.442 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.288 -4.631 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.994 -6.336 7.632 1.00 0.00 H new ATOM 0 HG SER A 27 11.136 -5.932 6.844 1.00 0.00 H new ATOM 372 N LEU A 28 7.628 -4.490 3.732 1.00 0.00 N ATOM 373 CA LEU A 28 7.700 -3.422 2.741 1.00 0.00 C ATOM 374 C LEU A 28 6.324 -2.808 2.502 1.00 0.00 C ATOM 375 O LEU A 28 5.304 -3.493 2.586 1.00 0.00 O ATOM 376 CB LEU A 28 8.268 -3.957 1.425 1.00 0.00 C ATOM 377 CG LEU A 28 9.659 -4.587 1.501 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.982 -5.325 0.212 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.710 -3.525 1.788 1.00 0.00 C ATOM 0 H LEU A 28 7.135 -5.325 3.417 1.00 0.00 H new ATOM 0 HA LEU A 28 8.362 -2.647 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.576 -4.700 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.301 -3.138 0.707 1.00 0.00 H new ATOM 0 HG LEU A 28 9.667 -5.307 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.976 -5.767 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.246 -6.112 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.956 -4.626 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.694 -3.991 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.702 -2.780 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.488 -3.041 2.739 1.00 0.00 H new ATOM 391 N TYR A 29 6.303 -1.514 2.201 1.00 0.00 N ATOM 392 CA TYR A 29 5.053 -0.808 1.950 1.00 0.00 C ATOM 393 C TYR A 29 4.849 -0.576 0.456 1.00 0.00 C ATOM 394 O TYR A 29 5.786 -0.228 -0.264 1.00 0.00 O ATOM 395 CB TYR A 29 5.040 0.530 2.691 1.00 0.00 C ATOM 396 CG TYR A 29 5.332 0.405 4.170 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.629 0.210 4.628 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.310 0.485 5.108 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.899 0.094 5.978 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.572 0.372 6.460 1.00 0.00 C ATOM 401 CZ TYR A 29 5.868 0.177 6.890 1.00 0.00 C ATOM 402 OH TYR A 29 6.133 0.064 8.235 1.00 0.00 O ATOM 0 H TYR A 29 7.138 -0.933 2.125 1.00 0.00 H new ATOM 0 HA TYR A 29 4.236 -1.428 2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.777 1.194 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.065 0.999 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.440 0.148 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.294 0.638 4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.913 -0.061 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.766 0.436 7.176 1.00 0.00 H new ATOM 0 HH TYR A 29 7.095 0.169 8.389 1.00 0.00 H new ATOM 412 N TYR A 30 3.618 -0.770 -0.004 1.00 0.00 N ATOM 413 CA TYR A 30 3.290 -0.584 -1.412 1.00 0.00 C ATOM 414 C TYR A 30 2.098 0.354 -1.575 1.00 0.00 C ATOM 415 O TYR A 30 1.317 0.548 -0.644 1.00 0.00 O ATOM 416 CB TYR A 30 2.986 -1.932 -2.069 1.00 0.00 C ATOM 417 CG TYR A 30 4.116 -2.930 -1.954 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.231 -2.844 -2.779 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.068 -3.959 -1.022 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.266 -3.754 -2.678 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.098 -4.873 -0.913 1.00 0.00 C ATOM 422 CZ TYR A 30 6.195 -4.766 -1.744 1.00 0.00 C ATOM 423 OH TYR A 30 7.223 -5.675 -1.639 1.00 0.00 O ATOM 0 H TYR A 30 2.831 -1.056 0.578 1.00 0.00 H new ATOM 0 HA TYR A 30 4.153 -0.134 -1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.091 -2.355 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.761 -1.770 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.290 -2.053 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.210 -4.046 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.126 -3.673 -3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.045 -5.666 -0.182 1.00 0.00 H new ATOM 0 HH TYR A 30 7.017 -6.322 -0.932 1.00 0.00 H new ATOM 433 N GLU A 31 1.965 0.931 -2.765 1.00 0.00 N ATOM 434 CA GLU A 31 0.868 1.849 -3.050 1.00 0.00 C ATOM 435 C GLU A 31 -0.461 1.104 -3.117 1.00 0.00 C ATOM 436 O GLU A 31 -0.724 0.365 -4.066 1.00 0.00 O ATOM 437 CB GLU A 31 1.120 2.586 -4.367 1.00 0.00 C ATOM 438 CG GLU A 31 0.234 3.806 -4.560 1.00 0.00 C ATOM 439 CD GLU A 31 0.743 4.728 -5.652 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.444 4.239 -6.562 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.439 5.938 -5.595 1.00 0.00 O ATOM 0 H GLU A 31 2.602 0.779 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 31 0.816 2.576 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.164 2.896 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.960 1.896 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.777 3.481 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.173 4.358 -3.622 1.00 0.00 H new ATOM 448 N VAL A 32 -1.297 1.303 -2.103 1.00 0.00 N ATOM 449 CA VAL A 32 -2.600 0.650 -2.046 1.00 0.00 C ATOM 450 C VAL A 32 -3.706 1.658 -1.754 1.00 0.00 C ATOM 451 O VAL A 32 -3.441 2.773 -1.307 1.00 0.00 O ATOM 452 CB VAL A 32 -2.629 -0.453 -0.972 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.627 -1.549 -1.304 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.351 0.135 0.403 1.00 0.00 C ATOM 0 H VAL A 32 -1.095 1.911 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.771 0.199 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.625 -0.896 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.662 -2.319 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.876 -1.989 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.624 -1.124 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.375 -0.659 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.368 0.606 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.110 0.880 0.640 1.00 0.00 H new ATOM 464 N GLU A 33 -4.947 1.256 -2.009 1.00 0.00 N ATOM 465 CA GLU A 33 -6.095 2.124 -1.773 1.00 0.00 C ATOM 466 C GLU A 33 -6.905 1.642 -0.573 1.00 0.00 C ATOM 467 O GLU A 33 -6.897 0.456 -0.242 1.00 0.00 O ATOM 468 CB GLU A 33 -6.986 2.178 -3.016 1.00 0.00 C ATOM 469 CG GLU A 33 -8.421 2.580 -2.719 1.00 0.00 C ATOM 470 CD GLU A 33 -9.240 2.790 -3.977 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.045 2.025 -4.945 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.075 3.718 -3.995 1.00 0.00 O ATOM 0 H GLU A 33 -5.183 0.335 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.722 3.126 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.560 2.885 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.984 1.200 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.891 1.809 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.423 3.498 -2.131 1.00 0.00 H new ATOM 479 N ILE A 34 -7.601 2.570 0.074 1.00 0.00 N ATOM 480 CA ILE A 34 -8.417 2.240 1.237 1.00 0.00 C ATOM 481 C ILE A 34 -9.848 1.910 0.828 1.00 0.00 C ATOM 482 O ILE A 34 -10.534 2.727 0.212 1.00 0.00 O ATOM 483 CB ILE A 34 -8.439 3.396 2.255 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.013 3.767 2.669 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.267 3.013 3.472 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.478 2.930 3.809 1.00 0.00 C ATOM 0 H ILE A 34 -7.617 3.556 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.964 1.365 1.703 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.899 4.266 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.353 3.658 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.989 4.818 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.273 3.840 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.289 2.793 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.833 2.132 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.463 3.248 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.115 3.058 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.469 1.880 3.517 1.00 0.00 H new ATOM 498 N LEU A 35 -10.295 0.708 1.177 1.00 0.00 N ATOM 499 CA LEU A 35 -11.647 0.270 0.848 1.00 0.00 C ATOM 500 C LEU A 35 -12.576 0.425 2.047 1.00 0.00 C ATOM 501 O LEU A 35 -13.614 1.081 1.960 1.00 0.00 O ATOM 502 CB LEU A 35 -11.632 -1.188 0.385 1.00 0.00 C ATOM 503 CG LEU A 35 -10.534 -1.566 -0.610 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.569 -3.058 -0.902 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.681 -0.766 -1.895 1.00 0.00 C ATOM 0 H LEU A 35 -9.741 0.020 1.687 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.020 0.898 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.534 -1.826 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.598 -1.415 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.568 -1.326 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.781 -3.308 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.414 -3.614 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.537 -3.323 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.891 -1.048 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.652 -0.974 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.605 0.298 -1.672 1.00 0.00 H new ATOM 517 N SER A 36 -12.195 -0.180 3.168 1.00 0.00 N ATOM 518 CA SER A 36 -12.995 -0.110 4.385 1.00 0.00 C ATOM 519 C SER A 36 -12.109 -0.207 5.623 1.00 0.00 C ATOM 520 O SER A 36 -10.885 -0.290 5.520 1.00 0.00 O ATOM 521 CB SER A 36 -14.037 -1.230 4.400 1.00 0.00 C ATOM 522 OG SER A 36 -15.236 -0.820 3.766 1.00 0.00 O ATOM 0 H SER A 36 -11.337 -0.724 3.258 1.00 0.00 H new ATOM 0 HA SER A 36 -13.506 0.852 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.637 -2.109 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.247 -1.521 5.429 1.00 0.00 H new ATOM 0 HG SER A 36 -15.031 -0.153 3.078 1.00 0.00 H new ATOM 528 N HIS A 37 -12.737 -0.195 6.795 1.00 0.00 N ATOM 529 CA HIS A 37 -12.007 -0.282 8.055 1.00 0.00 C ATOM 530 C HIS A 37 -12.717 -1.216 9.030 1.00 0.00 C ATOM 531 O HIS A 37 -13.946 -1.286 9.055 1.00 0.00 O ATOM 532 CB HIS A 37 -11.856 1.106 8.677 1.00 0.00 C ATOM 533 CG HIS A 37 -11.725 1.083 10.169 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.656 0.505 10.821 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.535 1.572 11.137 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.815 0.638 12.126 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.947 1.282 12.344 1.00 0.00 N ATOM 0 H HIS A 37 -13.749 -0.126 6.898 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.017 -0.688 7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.979 1.592 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.720 1.713 8.406 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.866 0.047 10.367 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.469 2.093 10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.135 0.281 12.885 1.00 0.00 H new ATOM 546 N ASP A 38 -11.935 -1.930 9.832 1.00 0.00 N ATOM 547 CA ASP A 38 -12.489 -2.860 10.810 1.00 0.00 C ATOM 548 C ASP A 38 -12.183 -2.399 12.232 1.00 0.00 C ATOM 549 O ASP A 38 -11.119 -2.696 12.776 1.00 0.00 O ATOM 550 CB ASP A 38 -11.928 -4.265 10.584 1.00 0.00 C ATOM 551 CG ASP A 38 -12.874 -5.349 11.063 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.072 -5.286 10.718 1.00 0.00 O ATOM 553 OD2 ASP A 38 -12.415 -6.260 11.784 1.00 0.00 O ATOM 0 H ASP A 38 -10.916 -1.883 9.825 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.571 -2.884 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.726 -4.406 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.976 -4.361 11.105 1.00 0.00 H new ATOM 558 N SER A 39 -13.121 -1.670 12.827 1.00 0.00 N ATOM 559 CA SER A 39 -12.950 -1.164 14.184 1.00 0.00 C ATOM 560 C SER A 39 -12.750 -2.310 15.170 1.00 0.00 C ATOM 561 O SER A 39 -12.158 -2.132 16.236 1.00 0.00 O ATOM 562 CB SER A 39 -14.163 -0.327 14.596 1.00 0.00 C ATOM 563 OG SER A 39 -15.330 -1.127 14.675 1.00 0.00 O ATOM 0 H SER A 39 -14.007 -1.416 12.391 1.00 0.00 H new ATOM 0 HA SER A 39 -12.061 -0.534 14.201 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.974 0.143 15.561 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.317 0.476 13.875 1.00 0.00 H new ATOM 0 HG SER A 39 -16.091 -0.570 14.942 1.00 0.00 H new ATOM 569 N THR A 40 -13.247 -3.488 14.808 1.00 0.00 N ATOM 570 CA THR A 40 -13.125 -4.664 15.660 1.00 0.00 C ATOM 571 C THR A 40 -11.663 -4.986 15.947 1.00 0.00 C ATOM 572 O THR A 40 -11.241 -5.025 17.103 1.00 0.00 O ATOM 573 CB THR A 40 -13.793 -5.895 15.018 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.167 -5.612 14.731 1.00 0.00 O ATOM 575 CG2 THR A 40 -13.700 -7.103 15.938 1.00 0.00 C ATOM 0 H THR A 40 -13.738 -3.653 13.930 1.00 0.00 H new ATOM 0 HA THR A 40 -13.633 -4.430 16.595 1.00 0.00 H new ATOM 0 HB THR A 40 -13.268 -6.124 14.091 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.584 -6.398 14.322 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.178 -7.960 15.463 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.652 -7.333 16.131 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.203 -6.883 16.880 1.00 0.00 H new ATOM 583 N SER A 41 -10.893 -5.215 14.887 1.00 0.00 N ATOM 584 CA SER A 41 -9.478 -5.537 15.026 1.00 0.00 C ATOM 585 C SER A 41 -8.610 -4.448 14.402 1.00 0.00 C ATOM 586 O SER A 41 -7.480 -4.704 13.985 1.00 0.00 O ATOM 587 CB SER A 41 -9.173 -6.886 14.372 1.00 0.00 C ATOM 588 OG SER A 41 -9.702 -7.955 15.138 1.00 0.00 O ATOM 0 H SER A 41 -11.226 -5.183 13.923 1.00 0.00 H new ATOM 0 HA SER A 41 -9.247 -5.597 16.090 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.595 -6.910 13.367 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.095 -7.008 14.268 1.00 0.00 H new ATOM 0 HG SER A 41 -9.495 -8.806 14.698 1.00 0.00 H new ATOM 594 N GLN A 42 -9.147 -3.234 14.342 1.00 0.00 N ATOM 595 CA GLN A 42 -8.422 -2.107 13.768 1.00 0.00 C ATOM 596 C GLN A 42 -7.739 -2.506 12.464 1.00 0.00 C ATOM 597 O GLN A 42 -6.653 -2.019 12.145 1.00 0.00 O ATOM 598 CB GLN A 42 -7.384 -1.581 14.761 1.00 0.00 C ATOM 599 CG GLN A 42 -7.994 -0.894 15.972 1.00 0.00 C ATOM 600 CD GLN A 42 -8.610 -1.874 16.951 1.00 0.00 C ATOM 601 OE1 GLN A 42 -9.887 -1.682 17.257 1.00 0.00 O flip ATOM 602 NE2 GLN A 42 -7.944 -2.794 17.427 1.00 0.00 N flip ATOM 0 H GLN A 42 -10.081 -3.006 14.683 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.141 -1.317 13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.763 -2.411 15.099 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.726 -0.879 14.249 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.225 -0.313 16.481 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.757 -0.190 15.640 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.965 -2.904 17.164 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.372 -3.446 18.085 1.00 0.00 H new ATOM 611 N LEU A 43 -8.381 -3.393 11.713 1.00 0.00 N ATOM 612 CA LEU A 43 -7.835 -3.858 10.442 1.00 0.00 C ATOM 613 C LEU A 43 -8.488 -3.131 9.271 1.00 0.00 C ATOM 614 O LEU A 43 -9.713 -3.079 9.164 1.00 0.00 O ATOM 615 CB LEU A 43 -8.040 -5.368 10.299 1.00 0.00 C ATOM 616 CG LEU A 43 -7.097 -6.253 11.113 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.566 -7.700 11.085 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.673 -6.142 10.586 1.00 0.00 C ATOM 0 H LEU A 43 -9.280 -3.805 11.961 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.767 -3.640 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.065 -5.604 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.934 -5.631 9.246 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.108 -5.908 12.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.882 -8.315 11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.568 -7.766 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.584 -8.057 10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.015 -6.779 11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.645 -6.460 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.338 -5.107 10.659 1.00 0.00 H new ATOM 630 N TYR A 44 -7.661 -2.574 8.393 1.00 0.00 N ATOM 631 CA TYR A 44 -8.157 -1.850 7.229 1.00 0.00 C ATOM 632 C TYR A 44 -8.046 -2.703 5.969 1.00 0.00 C ATOM 633 O TYR A 44 -7.031 -3.359 5.735 1.00 0.00 O ATOM 634 CB TYR A 44 -7.380 -0.545 7.045 1.00 0.00 C ATOM 635 CG TYR A 44 -7.735 0.519 8.059 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.522 0.312 9.416 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.284 1.732 7.660 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.846 1.281 10.346 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.609 2.707 8.582 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.388 2.477 9.924 1.00 0.00 C ATOM 641 OH TYR A 44 -8.712 3.445 10.847 1.00 0.00 O ATOM 0 H TYR A 44 -6.644 -2.610 8.465 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.209 -1.618 7.398 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.312 -0.755 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.568 -0.158 6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.096 -0.623 9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.459 1.915 6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.676 1.103 11.398 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.034 3.644 8.254 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.201 4.260 10.660 1.00 0.00 H new ATOM 651 N THR A 45 -9.099 -2.687 5.157 1.00 0.00 N ATOM 652 CA THR A 45 -9.122 -3.459 3.921 1.00 0.00 C ATOM 653 C THR A 45 -8.672 -2.612 2.736 1.00 0.00 C ATOM 654 O THR A 45 -9.412 -1.753 2.257 1.00 0.00 O ATOM 655 CB THR A 45 -10.529 -4.017 3.633 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.006 -4.751 4.767 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.513 -4.919 2.408 1.00 0.00 C ATOM 0 H THR A 45 -9.947 -2.148 5.333 1.00 0.00 H new ATOM 0 HA THR A 45 -8.430 -4.290 4.055 1.00 0.00 H new ATOM 0 HB THR A 45 -11.196 -3.178 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.901 -5.101 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.517 -5.301 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.177 -4.350 1.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.833 -5.753 2.579 1.00 0.00 H new ATOM 665 N VAL A 46 -7.453 -2.860 2.267 1.00 0.00 N ATOM 666 CA VAL A 46 -6.904 -2.121 1.136 1.00 0.00 C ATOM 667 C VAL A 46 -6.839 -2.995 -0.111 1.00 0.00 C ATOM 668 O VAL A 46 -6.790 -4.222 -0.022 1.00 0.00 O ATOM 669 CB VAL A 46 -5.495 -1.584 1.448 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.539 -0.619 2.623 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.537 -2.732 1.725 1.00 0.00 C ATOM 0 H VAL A 46 -6.827 -3.567 2.653 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.572 -1.280 0.952 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.131 -1.040 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.534 -0.250 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.191 0.220 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.923 -1.135 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.546 -2.334 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.894 -3.306 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.483 -3.380 0.850 1.00 0.00 H new ATOM 681 N LYS A 47 -6.838 -2.355 -1.276 1.00 0.00 N ATOM 682 CA LYS A 47 -6.777 -3.072 -2.544 1.00 0.00 C ATOM 683 C LYS A 47 -5.485 -2.751 -3.289 1.00 0.00 C ATOM 684 O LYS A 47 -5.072 -1.593 -3.364 1.00 0.00 O ATOM 685 CB LYS A 47 -7.983 -2.714 -3.415 1.00 0.00 C ATOM 686 CG LYS A 47 -8.068 -3.522 -4.698 1.00 0.00 C ATOM 687 CD LYS A 47 -9.248 -3.090 -5.552 1.00 0.00 C ATOM 688 CE LYS A 47 -9.652 -4.177 -6.536 1.00 0.00 C ATOM 689 NZ LYS A 47 -8.857 -4.111 -7.793 1.00 0.00 N ATOM 0 H LYS A 47 -6.879 -1.340 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.796 -4.141 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.895 -2.867 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.938 -1.654 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.145 -3.404 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.161 -4.581 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.094 -2.847 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.991 -2.182 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.518 -5.154 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.712 -4.078 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.820 -5.054 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.304 -3.441 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.891 -3.792 -7.577 1.00 0.00 H new ATOM 703 N TYR A 48 -4.853 -3.782 -3.838 1.00 0.00 N ATOM 704 CA TYR A 48 -3.608 -3.609 -4.577 1.00 0.00 C ATOM 705 C TYR A 48 -3.868 -3.552 -6.079 1.00 0.00 C ATOM 706 O TYR A 48 -4.933 -3.951 -6.552 1.00 0.00 O ATOM 707 CB TYR A 48 -2.639 -4.749 -4.259 1.00 0.00 C ATOM 708 CG TYR A 48 -2.083 -4.697 -2.854 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.799 -5.217 -1.783 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.841 -4.128 -2.598 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.295 -5.171 -0.497 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.329 -4.079 -1.316 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.060 -4.601 -0.269 1.00 0.00 C ATOM 714 OH TYR A 48 -0.553 -4.553 1.010 1.00 0.00 O ATOM 0 H TYR A 48 -5.182 -4.746 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.161 -2.664 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.151 -5.700 -4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.813 -4.721 -4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.766 -5.665 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.267 -3.717 -3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.865 -5.579 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.638 -3.634 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.111 -5.402 1.219 1.00 0.00 H new ATOM 724 N LYS A 49 -2.888 -3.054 -6.825 1.00 0.00 N ATOM 725 CA LYS A 49 -3.007 -2.945 -8.274 1.00 0.00 C ATOM 726 C LYS A 49 -3.244 -4.314 -8.904 1.00 0.00 C ATOM 727 O LYS A 49 -3.835 -4.418 -9.979 1.00 0.00 O ATOM 728 CB LYS A 49 -1.746 -2.311 -8.864 1.00 0.00 C ATOM 729 CG LYS A 49 -1.773 -2.198 -10.378 1.00 0.00 C ATOM 730 CD LYS A 49 -2.619 -1.021 -10.834 1.00 0.00 C ATOM 731 CE LYS A 49 -2.225 -0.558 -12.229 1.00 0.00 C ATOM 732 NZ LYS A 49 -3.355 0.108 -12.933 1.00 0.00 N ATOM 0 H LYS A 49 -2.001 -2.719 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.863 -2.309 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.615 -1.317 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.880 -2.902 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.756 -2.084 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.169 -3.119 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.672 -1.304 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.506 -0.196 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.384 0.132 -12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.887 -1.414 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.046 0.408 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.149 -0.558 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.661 0.940 -12.389 1.00 0.00 H new ATOM 746 N ASP A 50 -2.781 -5.359 -8.228 1.00 0.00 N ATOM 747 CA ASP A 50 -2.945 -6.722 -8.721 1.00 0.00 C ATOM 748 C ASP A 50 -4.299 -7.290 -8.307 1.00 0.00 C ATOM 749 O ASP A 50 -4.510 -8.502 -8.338 1.00 0.00 O ATOM 750 CB ASP A 50 -1.820 -7.616 -8.197 1.00 0.00 C ATOM 751 CG ASP A 50 -1.620 -7.476 -6.700 1.00 0.00 C ATOM 752 OD1 ASP A 50 -2.590 -7.111 -6.003 1.00 0.00 O ATOM 753 OD2 ASP A 50 -0.494 -7.734 -6.226 1.00 0.00 O ATOM 0 H ASP A 50 -2.289 -5.289 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.900 -6.696 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.045 -8.656 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.891 -7.365 -8.710 1.00 0.00 H new ATOM 758 N GLY A 51 -5.213 -6.406 -7.918 1.00 0.00 N ATOM 759 CA GLY A 51 -6.534 -6.840 -7.501 1.00 0.00 C ATOM 760 C GLY A 51 -6.489 -7.765 -6.301 1.00 0.00 C ATOM 761 O GLY A 51 -7.048 -8.861 -6.331 1.00 0.00 O ATOM 0 H GLY A 51 -5.062 -5.398 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.141 -5.967 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.024 -7.350 -8.330 1.00 0.00 H new ATOM 765 N THR A 52 -5.820 -7.324 -5.240 1.00 0.00 N ATOM 766 CA THR A 52 -5.702 -8.121 -4.026 1.00 0.00 C ATOM 767 C THR A 52 -6.192 -7.344 -2.809 1.00 0.00 C ATOM 768 O THR A 52 -5.807 -6.195 -2.599 1.00 0.00 O ATOM 769 CB THR A 52 -4.247 -8.565 -3.785 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.760 -9.287 -4.923 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.146 -9.438 -2.543 1.00 0.00 C ATOM 0 H THR A 52 -5.352 -6.419 -5.197 1.00 0.00 H new ATOM 0 HA THR A 52 -6.325 -9.004 -4.166 1.00 0.00 H new ATOM 0 HB THR A 52 -3.639 -7.673 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.423 -8.655 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.109 -9.739 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.490 -8.876 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.767 -10.325 -2.670 1.00 0.00 H new ATOM 779 N GLU A 53 -7.042 -7.981 -2.010 1.00 0.00 N ATOM 780 CA GLU A 53 -7.584 -7.348 -0.813 1.00 0.00 C ATOM 781 C GLU A 53 -7.021 -7.997 0.448 1.00 0.00 C ATOM 782 O GLU A 53 -7.167 -9.202 0.658 1.00 0.00 O ATOM 783 CB GLU A 53 -9.112 -7.440 -0.808 1.00 0.00 C ATOM 784 CG GLU A 53 -9.772 -6.656 -1.931 1.00 0.00 C ATOM 785 CD GLU A 53 -11.239 -7.000 -2.097 1.00 0.00 C ATOM 786 OE1 GLU A 53 -12.060 -6.501 -1.299 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.567 -7.767 -3.027 1.00 0.00 O ATOM 0 H GLU A 53 -7.370 -8.934 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.290 -6.298 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.405 -8.487 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.487 -7.075 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.673 -5.589 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.248 -6.855 -2.866 1.00 0.00 H new ATOM 794 N LEU A 54 -6.378 -7.190 1.284 1.00 0.00 N ATOM 795 CA LEU A 54 -5.792 -7.684 2.526 1.00 0.00 C ATOM 796 C LEU A 54 -6.179 -6.795 3.703 1.00 0.00 C ATOM 797 O LEU A 54 -6.746 -5.719 3.519 1.00 0.00 O ATOM 798 CB LEU A 54 -4.269 -7.752 2.402 1.00 0.00 C ATOM 799 CG LEU A 54 -3.726 -8.575 1.233 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.271 -8.223 0.963 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.873 -10.063 1.516 1.00 0.00 C ATOM 0 H LEU A 54 -6.249 -6.191 1.125 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.181 -8.686 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.886 -6.735 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.867 -8.164 3.328 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.308 -8.335 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.902 -8.818 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.193 -7.164 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.675 -8.434 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.482 -10.634 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.316 -10.319 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.926 -10.304 1.659 1.00 0.00 H new ATOM 813 N GLU A 55 -5.866 -7.252 4.911 1.00 0.00 N ATOM 814 CA GLU A 55 -6.181 -6.496 6.118 1.00 0.00 C ATOM 815 C GLU A 55 -4.907 -6.019 6.809 1.00 0.00 C ATOM 816 O GLU A 55 -4.122 -6.824 7.313 1.00 0.00 O ATOM 817 CB GLU A 55 -7.007 -7.352 7.081 1.00 0.00 C ATOM 818 CG GLU A 55 -8.490 -7.376 6.754 1.00 0.00 C ATOM 819 CD GLU A 55 -9.258 -8.372 7.602 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.272 -9.569 7.245 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.845 -7.954 8.622 1.00 0.00 O ATOM 0 H GLU A 55 -5.395 -8.141 5.080 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.765 -5.623 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.624 -8.372 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.873 -6.975 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.907 -6.380 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.622 -7.623 5.701 1.00 0.00 H new ATOM 828 N LEU A 56 -4.707 -4.706 6.827 1.00 0.00 N ATOM 829 CA LEU A 56 -3.528 -4.120 7.455 1.00 0.00 C ATOM 830 C LEU A 56 -3.925 -3.184 8.592 1.00 0.00 C ATOM 831 O LEU A 56 -4.709 -2.254 8.401 1.00 0.00 O ATOM 832 CB LEU A 56 -2.699 -3.359 6.419 1.00 0.00 C ATOM 833 CG LEU A 56 -2.460 -4.078 5.091 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.810 -3.141 4.086 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.601 -5.317 5.302 1.00 0.00 C ATOM 0 H LEU A 56 -5.346 -4.027 6.414 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.927 -4.930 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.195 -2.411 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.731 -3.122 6.860 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.424 -4.393 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.648 -3.670 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.462 -2.285 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.853 -2.795 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.441 -5.816 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.639 -5.025 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.107 -5.998 5.987 1.00 0.00 H new ATOM 847 N LYS A 57 -3.378 -3.435 9.777 1.00 0.00 N ATOM 848 CA LYS A 57 -3.671 -2.613 10.945 1.00 0.00 C ATOM 849 C LYS A 57 -3.424 -1.138 10.648 1.00 0.00 C ATOM 850 O LYS A 57 -2.678 -0.796 9.731 1.00 0.00 O ATOM 851 CB LYS A 57 -2.814 -3.056 12.133 1.00 0.00 C ATOM 852 CG LYS A 57 -3.419 -4.200 12.927 1.00 0.00 C ATOM 853 CD LYS A 57 -2.662 -4.442 14.223 1.00 0.00 C ATOM 854 CE LYS A 57 -3.295 -5.559 15.038 1.00 0.00 C ATOM 855 NZ LYS A 57 -2.402 -6.017 16.138 1.00 0.00 N ATOM 0 H LYS A 57 -2.729 -4.202 9.954 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.724 -2.743 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.832 -3.357 11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.661 -2.205 12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.462 -3.977 13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.409 -5.108 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.626 -4.696 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.645 -3.525 14.812 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.239 -5.212 15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.526 -6.400 14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.869 -6.779 16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.511 -6.372 15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.202 -5.221 16.777 1.00 0.00 H new ATOM 869 N GLU A 58 -4.055 -0.268 11.431 1.00 0.00 N ATOM 870 CA GLU A 58 -3.903 1.171 11.251 1.00 0.00 C ATOM 871 C GLU A 58 -2.430 1.568 11.267 1.00 0.00 C ATOM 872 O GLU A 58 -2.030 2.538 10.623 1.00 0.00 O ATOM 873 CB GLU A 58 -4.658 1.927 12.346 1.00 0.00 C ATOM 874 CG GLU A 58 -5.109 3.316 11.927 1.00 0.00 C ATOM 875 CD GLU A 58 -5.361 4.230 13.110 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.455 4.140 13.706 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.466 5.035 13.440 1.00 0.00 O ATOM 0 H GLU A 58 -4.676 -0.535 12.195 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.323 1.436 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.531 1.345 12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.018 2.012 13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.350 3.762 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.021 3.235 11.335 1.00 0.00 H new ATOM 884 N ASN A 59 -1.627 0.812 12.008 1.00 0.00 N ATOM 885 CA ASN A 59 -0.198 1.085 12.110 1.00 0.00 C ATOM 886 C ASN A 59 0.538 0.600 10.864 1.00 0.00 C ATOM 887 O ASN A 59 1.359 1.321 10.296 1.00 0.00 O ATOM 888 CB ASN A 59 0.384 0.412 13.354 1.00 0.00 C ATOM 889 CG ASN A 59 -0.127 1.032 14.640 1.00 0.00 C ATOM 890 OD1 ASN A 59 -1.114 1.767 14.638 1.00 0.00 O ATOM 891 ND2 ASN A 59 0.546 0.739 15.747 1.00 0.00 N ATOM 0 H ASN A 59 -1.942 0.005 12.547 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.064 2.164 12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.133 -0.649 13.341 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.471 0.483 13.327 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.250 1.128 16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.359 0.125 15.702 1.00 0.00 H new ATOM 898 N ASP A 60 0.238 -0.624 10.446 1.00 0.00 N ATOM 899 CA ASP A 60 0.870 -1.206 9.267 1.00 0.00 C ATOM 900 C ASP A 60 0.706 -0.292 8.056 1.00 0.00 C ATOM 901 O ASP A 60 1.497 -0.345 7.114 1.00 0.00 O ATOM 902 CB ASP A 60 0.272 -2.581 8.967 1.00 0.00 C ATOM 903 CG ASP A 60 0.555 -3.587 10.066 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.739 -3.163 11.225 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.595 -4.799 9.765 1.00 0.00 O ATOM 0 H ASP A 60 -0.439 -1.233 10.906 1.00 0.00 H new ATOM 0 HA ASP A 60 1.934 -1.319 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.806 -2.485 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.676 -2.952 8.025 1.00 0.00 H new ATOM 910 N ILE A 61 -0.326 0.545 8.089 1.00 0.00 N ATOM 911 CA ILE A 61 -0.593 1.470 6.995 1.00 0.00 C ATOM 912 C ILE A 61 0.052 2.828 7.253 1.00 0.00 C ATOM 913 O ILE A 61 -0.089 3.400 8.334 1.00 0.00 O ATOM 914 CB ILE A 61 -2.105 1.666 6.779 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.799 0.311 6.622 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.358 2.541 5.561 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.302 0.415 6.486 1.00 0.00 C ATOM 0 H ILE A 61 -0.990 0.601 8.861 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.160 1.029 6.097 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.520 2.167 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.397 -0.195 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.562 -0.312 7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.431 2.670 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.892 3.515 5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.932 2.066 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.728 -0.583 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.716 0.892 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.547 1.011 5.607 1.00 0.00 H new ATOM 929 N LYS A 62 0.760 3.340 6.252 1.00 0.00 N ATOM 930 CA LYS A 62 1.425 4.632 6.367 1.00 0.00 C ATOM 931 C LYS A 62 0.902 5.609 5.319 1.00 0.00 C ATOM 932 O LYS A 62 0.172 5.223 4.406 1.00 0.00 O ATOM 933 CB LYS A 62 2.939 4.466 6.214 1.00 0.00 C ATOM 934 CG LYS A 62 3.531 3.414 7.136 1.00 0.00 C ATOM 935 CD LYS A 62 3.879 3.996 8.496 1.00 0.00 C ATOM 936 CE LYS A 62 4.353 2.918 9.459 1.00 0.00 C ATOM 937 NZ LYS A 62 5.825 2.711 9.379 1.00 0.00 N ATOM 0 H LYS A 62 0.888 2.879 5.351 1.00 0.00 H new ATOM 0 HA LYS A 62 1.208 5.036 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.165 4.200 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.423 5.423 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.821 2.597 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.427 2.992 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.657 4.751 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.006 4.499 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.080 3.195 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.842 1.981 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.022 1.773 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.246 3.444 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.236 2.770 10.332 1.00 0.00 H new ATOM 951 N SER A 63 1.282 6.876 5.455 1.00 0.00 N ATOM 952 CA SER A 63 0.849 7.908 4.520 1.00 0.00 C ATOM 953 C SER A 63 1.656 9.189 4.714 1.00 0.00 C ATOM 954 O SER A 63 2.417 9.318 5.672 1.00 0.00 O ATOM 955 CB SER A 63 -0.642 8.198 4.703 1.00 0.00 C ATOM 956 OG SER A 63 -1.141 8.991 3.639 1.00 0.00 O ATOM 0 H SER A 63 1.888 7.212 6.203 1.00 0.00 H new ATOM 0 HA SER A 63 1.019 7.542 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.195 7.260 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.802 8.712 5.651 1.00 0.00 H new ATOM 0 HG SER A 63 -2.096 9.161 3.778 1.00 0.00 H new ATOM 962 N GLY A 64 1.483 10.134 3.795 1.00 0.00 N ATOM 963 CA GLY A 64 2.200 11.393 3.882 1.00 0.00 C ATOM 964 C GLY A 64 1.284 12.593 3.750 1.00 0.00 C ATOM 965 O GLY A 64 0.060 12.466 3.720 1.00 0.00 O ATOM 0 H GLY A 64 0.859 10.050 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.724 11.444 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.958 11.431 3.099 1.00 0.00 H new ATOM 969 N PRO A 65 1.880 13.792 3.670 1.00 0.00 N ATOM 970 CA PRO A 65 1.128 15.043 3.541 1.00 0.00 C ATOM 971 C PRO A 65 0.456 15.177 2.178 1.00 0.00 C ATOM 972 O PRO A 65 0.829 14.498 1.222 1.00 0.00 O ATOM 973 CB PRO A 65 2.200 16.121 3.716 1.00 0.00 C ATOM 974 CG PRO A 65 3.471 15.462 3.305 1.00 0.00 C ATOM 975 CD PRO A 65 3.335 14.018 3.699 1.00 0.00 C ATOM 0 HA PRO A 65 0.317 15.108 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.989 16.993 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.249 16.466 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.632 15.560 2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.327 15.922 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.858 13.361 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.751 13.831 4.689 1.00 0.00 H new ATOM 983 N SER A 66 -0.537 16.058 2.097 1.00 0.00 N ATOM 984 CA SER A 66 -1.263 16.278 0.852 1.00 0.00 C ATOM 985 C SER A 66 -0.303 16.616 -0.284 1.00 0.00 C ATOM 986 O SER A 66 0.296 17.691 -0.306 1.00 0.00 O ATOM 987 CB SER A 66 -2.283 17.405 1.025 1.00 0.00 C ATOM 988 OG SER A 66 -2.831 17.794 -0.223 1.00 0.00 O ATOM 0 H SER A 66 -0.856 16.630 2.879 1.00 0.00 H new ATOM 0 HA SER A 66 -1.788 15.357 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.082 17.077 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.805 18.262 1.499 1.00 0.00 H new ATOM 0 HG SER A 66 -3.481 18.514 -0.085 1.00 0.00 H new ATOM 994 N SER A 67 -0.163 15.690 -1.227 1.00 0.00 N ATOM 995 CA SER A 67 0.727 15.887 -2.365 1.00 0.00 C ATOM 996 C SER A 67 0.132 16.886 -3.353 1.00 0.00 C ATOM 997 O SER A 67 -1.027 16.771 -3.748 1.00 0.00 O ATOM 998 CB SER A 67 0.993 14.554 -3.068 1.00 0.00 C ATOM 999 OG SER A 67 2.025 13.832 -2.419 1.00 0.00 O ATOM 0 H SER A 67 -0.654 14.796 -1.225 1.00 0.00 H new ATOM 0 HA SER A 67 1.670 16.288 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.081 13.958 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.270 14.736 -4.106 1.00 0.00 H new ATOM 0 HG SER A 67 2.175 12.984 -2.886 1.00 0.00 H new ATOM 1005 N GLY A 68 0.937 17.867 -3.749 1.00 0.00 N ATOM 1006 CA GLY A 68 0.474 18.873 -4.687 1.00 0.00 C ATOM 1007 C GLY A 68 1.614 19.533 -5.438 1.00 0.00 C ATOM 1008 O GLY A 68 2.169 20.534 -4.983 1.00 0.00 O ATOM 0 H GLY A 68 1.901 17.983 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.209 18.413 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.092 19.634 -4.149 1.00 0.00 H new TER 1012 GLY A 68