USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00177 K(o=-0.0018,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00387) USER MOD Single : A 45 SER OG : rot 82:sc= 0.692 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.222 -0.221 -0.867 1.00 0.00 N ATOM 2 CA GLY A 1 11.555 0.170 -1.369 1.00 0.00 C ATOM 3 C GLY A 1 12.259 1.088 -0.387 1.00 0.00 C ATOM 4 O GLY A 1 11.861 2.242 -0.221 1.00 0.00 O ATOM 0 H1 GLY A 1 9.762 -0.849 -1.557 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.325 -0.720 0.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.639 0.630 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.160 -0.721 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.452 0.671 -2.331 1.00 0.00 H new ATOM 10 N SER A 2 13.303 0.583 0.276 1.00 0.00 N ATOM 11 CA SER A 2 14.086 1.277 1.319 1.00 0.00 C ATOM 12 C SER A 2 15.586 0.921 1.256 1.00 0.00 C ATOM 13 O SER A 2 16.303 0.965 2.256 1.00 0.00 O ATOM 14 CB SER A 2 13.474 0.992 2.704 1.00 0.00 C ATOM 15 OG SER A 2 13.350 -0.400 2.970 1.00 0.00 O ATOM 0 H SER A 2 13.646 -0.361 0.098 1.00 0.00 H new ATOM 0 HA SER A 2 14.032 2.350 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.095 1.451 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.491 1.459 2.766 1.00 0.00 H new ATOM 0 HG SER A 2 12.959 -0.530 3.859 1.00 0.00 H new ATOM 21 N GLU A 3 16.068 0.538 0.068 1.00 0.00 N ATOM 22 CA GLU A 3 17.423 0.010 -0.173 1.00 0.00 C ATOM 23 C GLU A 3 18.499 1.109 -0.355 1.00 0.00 C ATOM 24 O GLU A 3 19.671 0.800 -0.578 1.00 0.00 O ATOM 25 CB GLU A 3 17.403 -0.928 -1.401 1.00 0.00 C ATOM 26 CG GLU A 3 16.490 -2.162 -1.263 1.00 0.00 C ATOM 27 CD GLU A 3 14.992 -1.840 -1.433 1.00 0.00 C ATOM 28 OE1 GLU A 3 14.586 -1.340 -2.509 1.00 0.00 O ATOM 29 OE2 GLU A 3 14.202 -2.054 -0.483 1.00 0.00 O1- ATOM 0 H GLU A 3 15.509 0.587 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 3 17.707 -0.542 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.085 -0.355 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.420 -1.267 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.781 -2.904 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.648 -2.613 -0.283 1.00 0.00 H new ATOM 36 N PHE A 4 18.122 2.392 -0.279 1.00 0.00 N ATOM 37 CA PHE A 4 19.020 3.546 -0.430 1.00 0.00 C ATOM 38 C PHE A 4 20.082 3.616 0.689 1.00 0.00 C ATOM 39 O PHE A 4 19.745 3.776 1.866 1.00 0.00 O ATOM 40 CB PHE A 4 18.178 4.834 -0.471 1.00 0.00 C ATOM 41 CG PHE A 4 17.117 4.873 -1.561 1.00 0.00 C ATOM 42 CD1 PHE A 4 17.498 4.889 -2.916 1.00 0.00 C ATOM 43 CD2 PHE A 4 15.749 4.900 -1.222 1.00 0.00 C ATOM 44 CE1 PHE A 4 16.519 4.926 -3.926 1.00 0.00 C ATOM 45 CE2 PHE A 4 14.770 4.939 -2.232 1.00 0.00 C ATOM 46 CZ PHE A 4 15.156 4.952 -3.585 1.00 0.00 C ATOM 0 H PHE A 4 17.155 2.665 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 4 19.569 3.433 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.690 4.962 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.847 5.684 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.545 4.873 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.451 4.891 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.815 4.934 -4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.723 4.959 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.405 4.982 -4.361 1.00 0.00 H new ATOM 56 N THR A 5 21.366 3.521 0.325 1.00 0.00 N ATOM 57 CA THR A 5 22.525 3.478 1.249 1.00 0.00 C ATOM 58 C THR A 5 23.723 4.276 0.702 1.00 0.00 C ATOM 59 O THR A 5 24.842 3.771 0.576 1.00 0.00 O ATOM 60 CB THR A 5 22.924 2.031 1.623 1.00 0.00 C ATOM 61 OG1 THR A 5 23.123 1.219 0.479 1.00 0.00 O ATOM 62 CG2 THR A 5 21.873 1.342 2.497 1.00 0.00 C ATOM 0 H THR A 5 21.646 3.470 -0.655 1.00 0.00 H new ATOM 0 HA THR A 5 22.207 3.964 2.171 1.00 0.00 H new ATOM 0 HB THR A 5 23.857 2.133 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 5 23.375 0.315 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 5 22.202 0.329 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 5 21.743 1.904 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 5 20.925 1.301 1.961 1.00 0.00 H new ATOM 70 N SER A 6 23.480 5.543 0.352 1.00 0.00 N ATOM 71 CA SER A 6 24.424 6.436 -0.352 1.00 0.00 C ATOM 72 C SER A 6 25.049 7.487 0.585 1.00 0.00 C ATOM 73 O SER A 6 25.068 8.685 0.287 1.00 0.00 O ATOM 74 CB SER A 6 23.730 7.076 -1.566 1.00 0.00 C ATOM 75 OG SER A 6 23.227 6.073 -2.439 1.00 0.00 O ATOM 0 H SER A 6 22.590 5.998 0.556 1.00 0.00 H new ATOM 0 HA SER A 6 25.258 5.834 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.914 7.716 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.435 7.712 -2.101 1.00 0.00 H new ATOM 0 HG SER A 6 22.787 6.497 -3.205 1.00 0.00 H new ATOM 81 N SER A 7 25.536 7.041 1.749 1.00 0.00 N ATOM 82 CA SER A 7 26.083 7.876 2.837 1.00 0.00 C ATOM 83 C SER A 7 27.386 7.286 3.428 1.00 0.00 C ATOM 84 O SER A 7 27.383 6.739 4.536 1.00 0.00 O ATOM 85 CB SER A 7 25.004 8.151 3.902 1.00 0.00 C ATOM 86 OG SER A 7 24.311 6.975 4.308 1.00 0.00 O ATOM 0 H SER A 7 25.563 6.046 1.973 1.00 0.00 H new ATOM 0 HA SER A 7 26.370 8.839 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.470 8.611 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.287 8.871 3.507 1.00 0.00 H new ATOM 0 HG SER A 7 23.641 7.207 4.984 1.00 0.00 H new ATOM 92 N PRO A 8 28.516 7.341 2.687 1.00 0.00 N ATOM 93 CA PRO A 8 29.804 6.738 3.062 1.00 0.00 C ATOM 94 C PRO A 8 30.545 7.516 4.178 1.00 0.00 C ATOM 95 O PRO A 8 31.588 8.137 3.946 1.00 0.00 O ATOM 96 CB PRO A 8 30.590 6.648 1.744 1.00 0.00 C ATOM 97 CG PRO A 8 30.103 7.871 0.971 1.00 0.00 C ATOM 98 CD PRO A 8 28.626 7.940 1.358 1.00 0.00 C ATOM 0 HA PRO A 8 29.673 5.755 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 8 31.666 6.679 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.378 5.722 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 30.641 8.774 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.236 7.751 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 8 28.275 8.972 1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 8 28.011 7.401 0.638 1.00 0.00 H new ATOM 106 N ARG A 9 29.998 7.506 5.402 1.00 0.00 N ATOM 107 CA ARG A 9 30.545 8.190 6.592 1.00 0.00 C ATOM 108 C ARG A 9 30.233 7.416 7.882 1.00 0.00 C ATOM 109 O ARG A 9 29.073 7.090 8.144 1.00 0.00 O ATOM 110 CB ARG A 9 29.946 9.612 6.637 1.00 0.00 C ATOM 111 CG ARG A 9 30.549 10.555 7.693 1.00 0.00 C ATOM 112 CD ARG A 9 32.027 10.873 7.423 1.00 0.00 C ATOM 113 NE ARG A 9 32.495 12.004 8.249 1.00 0.00 N ATOM 114 CZ ARG A 9 33.665 12.614 8.158 1.00 0.00 C ATOM 115 NH1 ARG A 9 34.594 12.216 7.333 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 33.927 13.652 8.900 1.00 0.00 N ATOM 0 H ARG A 9 29.132 7.005 5.602 1.00 0.00 H new ATOM 0 HA ARG A 9 31.631 8.241 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 9 30.068 10.070 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 9 28.874 9.530 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 9 29.979 11.484 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 9 30.453 10.100 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 9 32.634 9.992 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 9 32.163 11.111 6.368 1.00 0.00 H new ATOM 0 HE ARG A 9 31.852 12.349 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.430 11.409 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.485 12.711 7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.228 13.999 9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 9 34.831 14.118 8.825 1.00 0.00 H new ATOM 130 N GLY A 10 31.258 7.147 8.695 1.00 0.00 N ATOM 131 CA GLY A 10 31.132 6.609 10.058 1.00 0.00 C ATOM 132 C GLY A 10 32.320 5.735 10.472 1.00 0.00 C ATOM 133 O GLY A 10 33.213 6.195 11.181 1.00 0.00 O ATOM 0 H GLY A 10 32.228 7.301 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.035 7.436 10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.216 6.023 10.127 1.00 0.00 H new ATOM 137 N ASP A 11 32.339 4.479 10.003 1.00 0.00 N ATOM 138 CA ASP A 11 33.393 3.463 10.225 1.00 0.00 C ATOM 139 C ASP A 11 33.849 3.281 11.700 1.00 0.00 C ATOM 140 O ASP A 11 35.008 2.956 11.982 1.00 0.00 O ATOM 141 CB ASP A 11 34.561 3.708 9.250 1.00 0.00 C ATOM 142 CG ASP A 11 34.108 3.688 7.780 1.00 0.00 C ATOM 143 OD1 ASP A 11 33.713 2.605 7.283 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 34.152 4.750 7.112 1.00 0.00 O ATOM 0 H ASP A 11 31.579 4.119 9.425 1.00 0.00 H new ATOM 0 HA ASP A 11 32.942 2.496 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 11 35.022 4.670 9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 11 35.325 2.946 9.403 1.00 0.00 H new ATOM 149 N LYS A 12 32.934 3.516 12.654 1.00 0.00 N ATOM 150 CA LYS A 12 33.166 3.473 14.112 1.00 0.00 C ATOM 151 C LYS A 12 33.629 2.107 14.651 1.00 0.00 C ATOM 152 O LYS A 12 33.387 1.064 14.039 1.00 0.00 O ATOM 153 CB LYS A 12 31.914 3.997 14.859 1.00 0.00 C ATOM 154 CG LYS A 12 30.780 2.986 15.144 1.00 0.00 C ATOM 155 CD LYS A 12 30.154 2.263 13.941 1.00 0.00 C ATOM 156 CE LYS A 12 29.450 3.221 12.973 1.00 0.00 C ATOM 157 NZ LYS A 12 28.795 2.480 11.860 1.00 0.00 N1+ ATOM 0 H LYS A 12 31.969 3.752 12.423 1.00 0.00 H new ATOM 0 HA LYS A 12 34.010 4.134 14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 12 32.240 4.414 15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 12 31.495 4.818 14.278 1.00 0.00 H new ATOM 0 HG2 LYS A 12 31.168 2.230 15.826 1.00 0.00 H new ATOM 0 HG3 LYS A 12 29.984 3.513 15.671 1.00 0.00 H new ATOM 0 HD2 LYS A 12 30.932 1.719 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 12 29.437 1.524 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 12 28.704 3.804 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 12 30.174 3.927 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 28.327 3.155 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 29.512 1.943 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 28.088 1.824 12.249 1.00 0.00 H new ATOM 171 N ALA A 13 34.206 2.116 15.856 1.00 0.00 N ATOM 172 CA ALA A 13 34.587 0.912 16.610 1.00 0.00 C ATOM 173 C ALA A 13 33.667 0.627 17.821 1.00 0.00 C ATOM 174 O ALA A 13 33.531 -0.525 18.235 1.00 0.00 O ATOM 175 CB ALA A 13 36.050 1.072 17.048 1.00 0.00 C ATOM 0 H ALA A 13 34.428 2.981 16.349 1.00 0.00 H new ATOM 0 HA ALA A 13 34.471 0.046 15.959 1.00 0.00 H new ATOM 0 HB1 ALA A 13 36.360 0.191 17.611 1.00 0.00 H new ATOM 0 HB2 ALA A 13 36.683 1.182 16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 13 36.147 1.957 17.677 1.00 0.00 H new ATOM 181 N ALA A 14 32.995 1.651 18.363 1.00 0.00 N ATOM 182 CA ALA A 14 32.148 1.587 19.564 1.00 0.00 C ATOM 183 C ALA A 14 30.688 1.144 19.285 1.00 0.00 C ATOM 184 O ALA A 14 29.747 1.570 19.964 1.00 0.00 O ATOM 185 CB ALA A 14 32.239 2.958 20.251 1.00 0.00 C ATOM 0 H ALA A 14 33.027 2.587 17.960 1.00 0.00 H new ATOM 0 HA ALA A 14 32.517 0.803 20.226 1.00 0.00 H new ATOM 0 HB1 ALA A 14 31.623 2.956 21.150 1.00 0.00 H new ATOM 0 HB2 ALA A 14 33.275 3.162 20.521 1.00 0.00 H new ATOM 0 HB3 ALA A 14 31.883 3.731 19.570 1.00 0.00 H new ATOM 191 N TYR A 15 30.469 0.313 18.260 1.00 0.00 N ATOM 192 CA TYR A 15 29.138 -0.164 17.846 1.00 0.00 C ATOM 193 C TYR A 15 28.397 -0.994 18.921 1.00 0.00 C ATOM 194 O TYR A 15 27.190 -1.209 18.816 1.00 0.00 O ATOM 195 CB TYR A 15 29.258 -0.955 16.531 1.00 0.00 C ATOM 196 CG TYR A 15 29.703 -2.399 16.697 1.00 0.00 C ATOM 197 CD1 TYR A 15 31.072 -2.734 16.683 1.00 0.00 C ATOM 198 CD2 TYR A 15 28.738 -3.407 16.902 1.00 0.00 C ATOM 199 CE1 TYR A 15 31.473 -4.069 16.891 1.00 0.00 C ATOM 200 CE2 TYR A 15 29.135 -4.740 17.117 1.00 0.00 C ATOM 201 CZ TYR A 15 30.508 -5.075 17.115 1.00 0.00 C ATOM 202 OH TYR A 15 30.903 -6.360 17.331 1.00 0.00 O ATOM 0 H TYR A 15 31.224 -0.056 17.682 1.00 0.00 H new ATOM 0 HA TYR A 15 28.524 0.724 17.697 1.00 0.00 H new ATOM 0 HB2 TYR A 15 28.292 -0.942 16.026 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.966 -0.444 15.878 1.00 0.00 H new ATOM 0 HD1 TYR A 15 31.814 -1.968 16.513 1.00 0.00 H new ATOM 0 HD2 TYR A 15 27.688 -3.154 16.894 1.00 0.00 H new ATOM 0 HE1 TYR A 15 32.523 -4.323 16.879 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.392 -5.506 17.283 1.00 0.00 H new ATOM 0 HH TYR A 15 30.115 -6.926 17.469 1.00 0.00 H new ATOM 212 N ASP A 16 29.102 -1.471 19.952 1.00 0.00 N ATOM 213 CA ASP A 16 28.543 -2.202 21.097 1.00 0.00 C ATOM 214 C ASP A 16 27.851 -1.299 22.143 1.00 0.00 C ATOM 215 O ASP A 16 27.100 -1.803 22.983 1.00 0.00 O ATOM 216 CB ASP A 16 29.657 -3.027 21.759 1.00 0.00 C ATOM 217 CG ASP A 16 30.689 -2.149 22.489 1.00 0.00 C ATOM 218 OD1 ASP A 16 31.429 -1.398 21.809 1.00 0.00 O ATOM 219 OD2 ASP A 16 30.762 -2.212 23.740 1.00 0.00 O1- ATOM 0 H ASP A 16 30.113 -1.355 20.016 1.00 0.00 H new ATOM 0 HA ASP A 16 27.759 -2.851 20.706 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.214 -3.726 22.468 1.00 0.00 H new ATOM 0 HB3 ASP A 16 30.164 -3.622 20.999 1.00 0.00 H new ATOM 224 N ILE A 17 28.066 0.023 22.079 1.00 0.00 N ATOM 225 CA ILE A 17 27.422 1.033 22.940 1.00 0.00 C ATOM 226 C ILE A 17 26.539 1.977 22.115 1.00 0.00 C ATOM 227 O ILE A 17 25.397 2.224 22.502 1.00 0.00 O ATOM 228 CB ILE A 17 28.464 1.751 23.839 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.849 2.843 24.751 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.697 2.278 23.083 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.749 4.267 24.172 1.00 0.00 C ATOM 0 H ILE A 17 28.713 0.435 21.406 1.00 0.00 H new ATOM 0 HA ILE A 17 26.744 0.532 23.631 1.00 0.00 H new ATOM 0 HB ILE A 17 28.826 0.958 24.493 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.847 2.522 25.034 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.439 2.891 25.666 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.374 2.765 23.785 1.00 0.00 H new ATOM 0 HG22 ILE A 17 30.211 1.446 22.601 1.00 0.00 H new ATOM 0 HG23 ILE A 17 29.380 2.996 22.327 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.301 4.930 24.912 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.746 4.627 23.918 1.00 0.00 H new ATOM 0 HD13 ILE A 17 27.129 4.253 23.276 1.00 0.00 H new ATOM 243 N LEU A 18 27.006 2.432 20.947 1.00 0.00 N ATOM 244 CA LEU A 18 26.184 3.175 19.984 1.00 0.00 C ATOM 245 C LEU A 18 25.031 2.301 19.448 1.00 0.00 C ATOM 246 O LEU A 18 25.224 1.114 19.174 1.00 0.00 O ATOM 247 CB LEU A 18 27.080 3.660 18.828 1.00 0.00 C ATOM 248 CG LEU A 18 28.127 4.719 19.224 1.00 0.00 C ATOM 249 CD1 LEU A 18 29.179 4.851 18.125 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.492 6.096 19.426 1.00 0.00 C ATOM 0 H LEU A 18 27.969 2.295 20.641 1.00 0.00 H new ATOM 0 HA LEU A 18 25.737 4.034 20.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 27.597 2.800 18.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 26.446 4.072 18.043 1.00 0.00 H new ATOM 0 HG LEU A 18 28.577 4.387 20.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.915 5.602 18.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.677 3.892 17.981 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.698 5.154 17.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.263 6.815 19.704 1.00 0.00 H new ATOM 0 HD22 LEU A 18 27.015 6.416 18.500 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.745 6.040 20.218 1.00 0.00 H new ATOM 262 N ARG A 19 23.842 2.886 19.246 1.00 0.00 N ATOM 263 CA ARG A 19 22.623 2.174 18.806 1.00 0.00 C ATOM 264 C ARG A 19 21.942 2.945 17.670 1.00 0.00 C ATOM 265 O ARG A 19 21.663 4.137 17.813 1.00 0.00 O ATOM 266 CB ARG A 19 21.706 1.985 20.033 1.00 0.00 C ATOM 267 CG ARG A 19 20.730 0.794 19.989 1.00 0.00 C ATOM 268 CD ARG A 19 19.612 0.897 18.940 1.00 0.00 C ATOM 269 NE ARG A 19 18.514 -0.056 19.216 1.00 0.00 N ATOM 270 CZ ARG A 19 18.443 -1.337 18.891 1.00 0.00 C ATOM 271 NH1 ARG A 19 19.395 -1.955 18.250 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 17.394 -2.038 19.217 1.00 0.00 N ATOM 0 H ARG A 19 23.693 3.885 19.385 1.00 0.00 H new ATOM 0 HA ARG A 19 22.867 1.190 18.405 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.336 1.876 20.916 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.124 2.897 20.167 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.301 -0.115 19.799 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.273 0.684 20.973 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.218 1.913 18.927 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.023 0.702 17.950 1.00 0.00 H new ATOM 0 HE ARG A 19 17.711 0.322 19.720 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.238 -1.450 17.978 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.297 -2.944 18.020 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.625 -1.600 19.724 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.342 -3.025 18.965 1.00 0.00 H new ATOM 286 N ARG A 20 21.710 2.268 16.536 1.00 0.00 N ATOM 287 CA ARG A 20 21.080 2.830 15.325 1.00 0.00 C ATOM 288 C ARG A 20 19.544 2.818 15.390 1.00 0.00 C ATOM 289 O ARG A 20 18.950 1.827 15.818 1.00 0.00 O ATOM 290 CB ARG A 20 21.595 2.128 14.045 1.00 0.00 C ATOM 291 CG ARG A 20 21.430 0.595 13.963 1.00 0.00 C ATOM 292 CD ARG A 20 22.662 -0.198 14.434 1.00 0.00 C ATOM 293 NE ARG A 20 23.760 -0.165 13.444 1.00 0.00 N ATOM 294 CZ ARG A 20 24.894 -0.842 13.506 1.00 0.00 C ATOM 295 NH1 ARG A 20 25.218 -1.568 14.538 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.737 -0.808 12.513 1.00 0.00 N ATOM 0 H ARG A 20 21.962 1.285 16.430 1.00 0.00 H new ATOM 0 HA ARG A 20 21.378 3.877 15.281 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.083 2.569 13.189 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.655 2.360 13.936 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.570 0.301 14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.207 0.319 12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.016 0.212 15.380 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.376 -1.233 14.622 1.00 0.00 H new ATOM 0 HE ARG A 20 23.630 0.440 12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.587 -1.629 15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.103 -2.076 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.524 -0.257 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.610 -1.333 12.567 1.00 0.00 H new ATOM 310 N CYS A 21 18.904 3.891 14.921 1.00 0.00 N ATOM 311 CA CYS A 21 17.463 3.929 14.650 1.00 0.00 C ATOM 312 C CYS A 21 17.157 3.188 13.334 1.00 0.00 C ATOM 313 O CYS A 21 17.655 3.567 12.268 1.00 0.00 O ATOM 314 CB CYS A 21 17.019 5.397 14.601 1.00 0.00 C ATOM 315 SG CYS A 21 15.216 5.500 14.375 1.00 0.00 S ATOM 0 H CYS A 21 19.377 4.771 14.715 1.00 0.00 H new ATOM 0 HA CYS A 21 16.907 3.423 15.439 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.307 5.903 15.523 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.525 5.911 13.784 1.00 0.00 H new ATOM 320 N SER A 22 16.329 2.142 13.394 1.00 0.00 N ATOM 321 CA SER A 22 15.905 1.343 12.230 1.00 0.00 C ATOM 322 C SER A 22 15.022 2.098 11.219 1.00 0.00 C ATOM 323 O SER A 22 14.756 1.573 10.134 1.00 0.00 O ATOM 324 CB SER A 22 15.195 0.065 12.701 1.00 0.00 C ATOM 325 OG SER A 22 14.079 0.372 13.528 1.00 0.00 O ATOM 0 H SER A 22 15.923 1.816 14.271 1.00 0.00 H new ATOM 0 HA SER A 22 16.821 1.098 11.692 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.863 -0.510 11.836 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.897 -0.563 13.251 1.00 0.00 H new ATOM 0 HG SER A 22 13.644 -0.459 13.812 1.00 0.00 H new ATOM 331 N GLN A 23 14.603 3.332 11.534 1.00 0.00 N ATOM 332 CA GLN A 23 13.756 4.181 10.681 1.00 0.00 C ATOM 333 C GLN A 23 14.442 5.507 10.273 1.00 0.00 C ATOM 334 O GLN A 23 13.997 6.144 9.313 1.00 0.00 O ATOM 335 CB GLN A 23 12.419 4.413 11.417 1.00 0.00 C ATOM 336 CG GLN A 23 11.232 4.837 10.531 1.00 0.00 C ATOM 337 CD GLN A 23 10.635 3.682 9.720 1.00 0.00 C ATOM 338 OE1 GLN A 23 11.255 3.109 8.834 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.401 3.296 9.977 1.00 0.00 N ATOM 0 H GLN A 23 14.851 3.781 12.416 1.00 0.00 H new ATOM 0 HA GLN A 23 13.574 3.668 9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.149 3.495 11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.572 5.179 12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.454 5.269 11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.560 5.620 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.864 3.758 10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.983 2.535 9.442 1.00 0.00 H new ATOM 348 N CYS A 24 15.552 5.886 10.929 1.00 0.00 N ATOM 349 CA CYS A 24 16.251 7.165 10.722 1.00 0.00 C ATOM 350 C CYS A 24 17.739 7.009 10.317 1.00 0.00 C ATOM 351 O CYS A 24 18.320 7.932 9.744 1.00 0.00 O ATOM 352 CB CYS A 24 16.142 8.024 11.998 1.00 0.00 C ATOM 353 SG CYS A 24 14.447 8.146 12.652 1.00 0.00 S ATOM 0 H CYS A 24 15.998 5.298 11.633 1.00 0.00 H new ATOM 0 HA CYS A 24 15.758 7.655 9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.790 7.602 12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.513 9.026 11.784 1.00 0.00 H new ATOM 358 N GLY A 25 18.373 5.867 10.618 1.00 0.00 N ATOM 359 CA GLY A 25 19.764 5.545 10.261 1.00 0.00 C ATOM 360 C GLY A 25 20.853 6.193 11.136 1.00 0.00 C ATOM 361 O GLY A 25 22.004 5.754 11.094 1.00 0.00 O ATOM 0 H GLY A 25 17.917 5.115 11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.888 4.463 10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.931 5.845 9.226 1.00 0.00 H new ATOM 365 N ILE A 26 20.518 7.213 11.935 1.00 0.00 N ATOM 366 CA ILE A 26 21.413 7.852 12.917 1.00 0.00 C ATOM 367 C ILE A 26 21.761 6.901 14.079 1.00 0.00 C ATOM 368 O ILE A 26 20.941 6.068 14.472 1.00 0.00 O ATOM 369 CB ILE A 26 20.785 9.183 13.404 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.783 10.003 14.254 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.457 8.967 14.154 1.00 0.00 C ATOM 372 CD1 ILE A 26 21.341 11.448 14.518 1.00 0.00 C ATOM 0 H ILE A 26 19.588 7.632 11.918 1.00 0.00 H new ATOM 0 HA ILE A 26 22.361 8.083 12.432 1.00 0.00 H new ATOM 0 HB ILE A 26 20.552 9.762 12.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.930 9.499 15.209 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.749 10.016 13.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 19.059 9.930 14.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.741 8.480 13.493 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.630 8.338 15.027 1.00 0.00 H new ATOM 0 HD11 ILE A 26 22.095 11.955 15.120 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.222 11.971 13.569 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.391 11.446 15.052 1.00 0.00 H new ATOM 384 N LEU A 27 22.965 7.050 14.650 1.00 0.00 N ATOM 385 CA LEU A 27 23.453 6.311 15.824 1.00 0.00 C ATOM 386 C LEU A 27 23.608 7.264 17.020 1.00 0.00 C ATOM 387 O LEU A 27 24.209 8.333 16.882 1.00 0.00 O ATOM 388 CB LEU A 27 24.820 5.655 15.531 1.00 0.00 C ATOM 389 CG LEU A 27 24.797 4.329 14.752 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.376 4.492 13.292 1.00 0.00 C ATOM 391 CD2 LEU A 27 26.200 3.720 14.752 1.00 0.00 C ATOM 0 H LEU A 27 23.652 7.714 14.293 1.00 0.00 H new ATOM 0 HA LEU A 27 22.725 5.534 16.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.427 6.368 14.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.325 5.483 16.481 1.00 0.00 H new ATOM 0 HG LEU A 27 24.066 3.694 15.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.381 3.519 12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.373 4.915 13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.074 5.158 12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 27 26.188 2.780 14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.896 4.411 14.277 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.516 3.535 15.779 1.00 0.00 H new ATOM 403 N LEU A 28 23.125 6.849 18.195 1.00 0.00 N ATOM 404 CA LEU A 28 23.197 7.611 19.452 1.00 0.00 C ATOM 405 C LEU A 28 23.866 6.768 20.564 1.00 0.00 C ATOM 406 O LEU A 28 23.727 5.541 20.543 1.00 0.00 O ATOM 407 CB LEU A 28 21.780 8.023 19.912 1.00 0.00 C ATOM 408 CG LEU A 28 20.928 8.982 19.054 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.704 10.184 18.522 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.213 8.284 17.898 1.00 0.00 C ATOM 0 H LEU A 28 22.659 5.948 18.304 1.00 0.00 H new ATOM 0 HA LEU A 28 23.795 8.504 19.270 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.204 7.107 20.040 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.881 8.476 20.898 1.00 0.00 H new ATOM 0 HG LEU A 28 20.176 9.351 19.751 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.040 10.812 17.929 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.099 10.761 19.358 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.529 9.838 17.899 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.632 9.015 17.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.949 7.822 17.241 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.547 7.517 18.292 1.00 0.00 H new ATOM 422 N PRO A 29 24.564 7.386 21.542 1.00 0.00 N ATOM 423 CA PRO A 29 25.270 6.660 22.604 1.00 0.00 C ATOM 424 C PRO A 29 24.334 6.028 23.648 1.00 0.00 C ATOM 425 O PRO A 29 24.305 4.807 23.777 1.00 0.00 O ATOM 426 CB PRO A 29 26.245 7.675 23.218 1.00 0.00 C ATOM 427 CG PRO A 29 25.619 9.037 22.916 1.00 0.00 C ATOM 428 CD PRO A 29 24.902 8.804 21.587 1.00 0.00 C ATOM 0 HA PRO A 29 25.796 5.798 22.193 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.357 7.519 24.291 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.238 7.588 22.778 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.926 9.344 23.699 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.375 9.818 22.834 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.005 9.419 21.517 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.542 9.077 20.748 1.00 0.00 H new ATOM 436 N LEU A 30 23.573 6.840 24.396 1.00 0.00 N ATOM 437 CA LEU A 30 22.679 6.404 25.488 1.00 0.00 C ATOM 438 C LEU A 30 21.749 7.545 25.963 1.00 0.00 C ATOM 439 O LEU A 30 20.534 7.403 25.805 1.00 0.00 O ATOM 440 CB LEU A 30 23.513 5.812 26.657 1.00 0.00 C ATOM 441 CG LEU A 30 23.347 4.287 26.825 1.00 0.00 C ATOM 442 CD1 LEU A 30 24.556 3.693 27.550 1.00 0.00 C ATOM 443 CD2 LEU A 30 22.087 3.956 27.628 1.00 0.00 C ATOM 0 H LEU A 30 23.560 7.850 24.256 1.00 0.00 H new ATOM 0 HA LEU A 30 22.028 5.620 25.102 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.566 6.038 26.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.223 6.305 27.585 1.00 0.00 H new ATOM 0 HG LEU A 30 23.263 3.857 25.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 24.422 2.617 27.660 1.00 0.00 H new ATOM 0 HD12 LEU A 30 25.459 3.889 26.972 1.00 0.00 H new ATOM 0 HD13 LEU A 30 24.650 4.149 28.535 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.995 2.875 27.731 1.00 0.00 H new ATOM 0 HD22 LEU A 30 22.156 4.410 28.616 1.00 0.00 H new ATOM 0 HD23 LEU A 30 21.212 4.347 27.109 1.00 0.00 H new ATOM 455 N PRO A 31 22.261 8.702 26.448 1.00 0.00 N ATOM 456 CA PRO A 31 21.406 9.813 26.890 1.00 0.00 C ATOM 457 C PRO A 31 20.631 10.484 25.741 1.00 0.00 C ATOM 458 O PRO A 31 19.525 10.984 25.948 1.00 0.00 O ATOM 459 CB PRO A 31 22.341 10.796 27.607 1.00 0.00 C ATOM 460 CG PRO A 31 23.718 10.506 27.013 1.00 0.00 C ATOM 461 CD PRO A 31 23.660 9.006 26.746 1.00 0.00 C ATOM 0 HA PRO A 31 20.621 9.447 27.552 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.042 11.829 27.432 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.332 10.639 28.686 1.00 0.00 H new ATOM 0 HG2 PRO A 31 23.892 11.073 26.099 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.520 10.763 27.705 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.305 8.733 25.910 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.006 8.442 27.612 1.00 0.00 H new ATOM 469 N ILE A 32 21.187 10.463 24.522 1.00 0.00 N ATOM 470 CA ILE A 32 20.572 11.050 23.315 1.00 0.00 C ATOM 471 C ILE A 32 19.613 10.054 22.632 1.00 0.00 C ATOM 472 O ILE A 32 18.617 10.463 22.032 1.00 0.00 O ATOM 473 CB ILE A 32 21.664 11.553 22.329 1.00 0.00 C ATOM 474 CG1 ILE A 32 22.810 12.316 23.044 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.022 12.453 21.255 1.00 0.00 C ATOM 476 CD1 ILE A 32 23.949 12.786 22.127 1.00 0.00 C ATOM 0 H ILE A 32 22.093 10.031 24.340 1.00 0.00 H new ATOM 0 HA ILE A 32 19.978 11.910 23.625 1.00 0.00 H new ATOM 0 HB ILE A 32 22.108 10.673 21.863 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.388 13.185 23.548 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.229 11.671 23.817 1.00 0.00 H new ATOM 0 HG21 ILE A 32 21.791 12.803 20.566 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.273 11.884 20.704 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.547 13.309 21.734 1.00 0.00 H new ATOM 0 HD11 ILE A 32 24.701 13.308 22.719 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.405 11.923 21.641 1.00 0.00 H new ATOM 0 HD13 ILE A 32 23.551 13.461 21.369 1.00 0.00 H new ATOM 488 N LEU A 33 19.864 8.739 22.757 1.00 0.00 N ATOM 489 CA LEU A 33 19.030 7.682 22.161 1.00 0.00 C ATOM 490 C LEU A 33 17.585 7.778 22.672 1.00 0.00 C ATOM 491 O LEU A 33 16.647 7.741 21.881 1.00 0.00 O ATOM 492 CB LEU A 33 19.635 6.293 22.473 1.00 0.00 C ATOM 493 CG LEU A 33 19.304 5.141 21.490 1.00 0.00 C ATOM 494 CD1 LEU A 33 19.416 3.806 22.229 1.00 0.00 C ATOM 495 CD2 LEU A 33 17.924 5.160 20.828 1.00 0.00 C ATOM 0 H LEU A 33 20.661 8.377 23.281 1.00 0.00 H new ATOM 0 HA LEU A 33 19.011 7.817 21.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.719 6.399 22.518 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.303 5.995 23.467 1.00 0.00 H new ATOM 0 HG LEU A 33 20.026 5.278 20.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 19.185 2.990 21.544 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.430 3.684 22.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.713 3.791 23.062 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.826 4.299 20.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.152 5.118 21.596 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.811 6.077 20.250 1.00 0.00 H new ATOM 507 N ASN A 34 17.406 7.976 23.982 1.00 0.00 N ATOM 508 CA ASN A 34 16.086 8.119 24.601 1.00 0.00 C ATOM 509 C ASN A 34 15.270 9.253 23.954 1.00 0.00 C ATOM 510 O ASN A 34 14.134 9.029 23.539 1.00 0.00 O ATOM 511 CB ASN A 34 16.252 8.334 26.119 1.00 0.00 C ATOM 512 CG ASN A 34 16.711 7.098 26.884 1.00 0.00 C ATOM 513 OD1 ASN A 34 16.957 6.027 26.345 1.00 0.00 O ATOM 514 ND2 ASN A 34 16.825 7.205 28.189 1.00 0.00 N ATOM 0 H ASN A 34 18.178 8.042 24.646 1.00 0.00 H new ATOM 0 HA ASN A 34 15.522 7.201 24.434 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.972 9.136 26.283 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.301 8.670 26.532 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.116 6.400 28.743 1.00 0.00 H new ATOM 0 HD22 ASN A 34 16.622 8.093 28.648 1.00 0.00 H new ATOM 521 N GLN A 35 15.860 10.444 23.792 1.00 0.00 N ATOM 522 CA GLN A 35 15.198 11.581 23.141 1.00 0.00 C ATOM 523 C GLN A 35 14.829 11.281 21.678 1.00 0.00 C ATOM 524 O GLN A 35 13.708 11.579 21.258 1.00 0.00 O ATOM 525 CB GLN A 35 16.087 12.830 23.260 1.00 0.00 C ATOM 526 CG GLN A 35 15.389 14.087 22.714 1.00 0.00 C ATOM 527 CD GLN A 35 16.187 15.355 23.008 1.00 0.00 C ATOM 528 OE1 GLN A 35 17.235 15.616 22.428 1.00 0.00 O ATOM 529 NE2 GLN A 35 15.732 16.196 23.915 1.00 0.00 N ATOM 0 H GLN A 35 16.808 10.646 24.108 1.00 0.00 H new ATOM 0 HA GLN A 35 14.255 11.769 23.655 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.353 12.988 24.305 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.017 12.666 22.716 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.251 13.987 21.637 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.396 14.172 23.156 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.862 15.994 24.407 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.250 17.049 24.125 1.00 0.00 H new ATOM 538 N HIS A 36 15.726 10.645 20.914 1.00 0.00 N ATOM 539 CA HIS A 36 15.419 10.202 19.551 1.00 0.00 C ATOM 540 C HIS A 36 14.253 9.198 19.527 1.00 0.00 C ATOM 541 O HIS A 36 13.345 9.333 18.709 1.00 0.00 O ATOM 542 CB HIS A 36 16.673 9.614 18.884 1.00 0.00 C ATOM 543 CG HIS A 36 16.449 9.322 17.419 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.626 10.208 16.381 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.933 8.172 16.882 1.00 0.00 C ATOM 546 CE1 HIS A 36 16.222 9.616 15.246 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.771 8.367 15.496 1.00 0.00 N ATOM 0 H HIS A 36 16.674 10.426 21.220 1.00 0.00 H new ATOM 0 HA HIS A 36 15.101 11.074 18.979 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.503 10.313 18.992 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.960 8.696 19.397 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.000 11.153 16.461 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.692 7.271 17.427 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.253 10.074 14.269 1.00 0.00 H new ATOM 555 N GLN A 37 14.239 8.226 20.444 1.00 0.00 N ATOM 556 CA GLN A 37 13.208 7.189 20.531 1.00 0.00 C ATOM 557 C GLN A 37 11.818 7.761 20.853 1.00 0.00 C ATOM 558 O GLN A 37 10.836 7.357 20.228 1.00 0.00 O ATOM 559 CB GLN A 37 13.642 6.138 21.568 1.00 0.00 C ATOM 560 CG GLN A 37 12.886 4.805 21.445 1.00 0.00 C ATOM 561 CD GLN A 37 13.104 4.114 20.097 1.00 0.00 C ATOM 562 OE1 GLN A 37 12.177 3.861 19.339 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.329 3.789 19.734 1.00 0.00 N ATOM 0 H GLN A 37 14.959 8.137 21.161 1.00 0.00 H new ATOM 0 HA GLN A 37 13.111 6.718 19.553 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.710 5.952 21.459 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.489 6.542 22.569 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.206 4.137 22.245 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.820 4.984 21.587 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.115 3.992 20.352 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.491 3.335 18.835 1.00 0.00 H new ATOM 572 N GLU A 38 11.717 8.739 21.764 1.00 0.00 N ATOM 573 CA GLU A 38 10.451 9.446 22.017 1.00 0.00 C ATOM 574 C GLU A 38 9.962 10.222 20.780 1.00 0.00 C ATOM 575 O GLU A 38 8.759 10.257 20.511 1.00 0.00 O ATOM 576 CB GLU A 38 10.555 10.417 23.210 1.00 0.00 C ATOM 577 CG GLU A 38 10.924 9.799 24.568 1.00 0.00 C ATOM 578 CD GLU A 38 10.137 8.517 24.913 1.00 0.00 C ATOM 579 OE1 GLU A 38 8.882 8.541 24.884 1.00 0.00 O ATOM 580 OE2 GLU A 38 10.765 7.482 25.240 1.00 0.00 O1- ATOM 0 H GLU A 38 12.496 9.059 22.339 1.00 0.00 H new ATOM 0 HA GLU A 38 9.725 8.669 22.257 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.298 11.177 22.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.599 10.929 23.317 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.990 9.570 24.573 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.753 10.539 25.350 1.00 0.00 H new ATOM 587 N LYS A 39 10.875 10.819 20.000 1.00 0.00 N ATOM 588 CA LYS A 39 10.535 11.567 18.776 1.00 0.00 C ATOM 589 C LYS A 39 10.082 10.637 17.639 1.00 0.00 C ATOM 590 O LYS A 39 9.044 10.905 17.029 1.00 0.00 O ATOM 591 CB LYS A 39 11.717 12.488 18.403 1.00 0.00 C ATOM 592 CG LYS A 39 11.291 13.796 17.707 1.00 0.00 C ATOM 593 CD LYS A 39 11.013 13.685 16.200 1.00 0.00 C ATOM 594 CE LYS A 39 12.271 13.445 15.350 1.00 0.00 C ATOM 595 NZ LYS A 39 13.142 14.650 15.285 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.875 10.798 20.200 1.00 0.00 H new ATOM 0 HA LYS A 39 9.670 12.203 18.962 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.274 12.733 19.307 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.397 11.944 17.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.393 14.172 18.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.073 14.540 17.860 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.310 12.869 16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.527 14.600 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.836 12.612 15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.976 13.156 14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.961 14.454 14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.602 15.448 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.473 14.891 16.241 1.00 0.00 H new ATOM 609 N CYS A 40 10.774 9.514 17.414 1.00 0.00 N ATOM 610 CA CYS A 40 10.335 8.434 16.520 1.00 0.00 C ATOM 611 C CYS A 40 8.927 7.924 16.898 1.00 0.00 C ATOM 612 O CYS A 40 8.049 7.842 16.033 1.00 0.00 O ATOM 613 CB CYS A 40 11.364 7.285 16.550 1.00 0.00 C ATOM 614 SG CYS A 40 12.772 7.596 15.443 1.00 0.00 S ATOM 0 H CYS A 40 11.673 9.326 17.857 1.00 0.00 H new ATOM 0 HA CYS A 40 10.272 8.829 15.506 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.728 7.151 17.569 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.876 6.354 16.261 1.00 0.00 H new ATOM 619 N ARG A 41 8.683 7.644 18.190 1.00 0.00 N ATOM 620 CA ARG A 41 7.359 7.265 18.723 1.00 0.00 C ATOM 621 C ARG A 41 6.287 8.310 18.424 1.00 0.00 C ATOM 622 O ARG A 41 5.223 7.949 17.920 1.00 0.00 O ATOM 623 CB ARG A 41 7.445 7.019 20.242 1.00 0.00 C ATOM 624 CG ARG A 41 7.847 5.589 20.628 1.00 0.00 C ATOM 625 CD ARG A 41 6.699 4.596 20.377 1.00 0.00 C ATOM 626 NE ARG A 41 6.921 3.311 21.070 1.00 0.00 N ATOM 627 CZ ARG A 41 6.650 3.032 22.334 1.00 0.00 C ATOM 628 NH1 ARG A 41 6.162 3.918 23.158 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 6.870 1.838 22.806 1.00 0.00 N ATOM 0 H ARG A 41 9.409 7.675 18.905 1.00 0.00 H new ATOM 0 HA ARG A 41 7.064 6.345 18.218 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.166 7.715 20.671 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.478 7.246 20.690 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.723 5.288 20.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.131 5.561 21.680 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.760 5.034 20.716 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.600 4.419 19.306 1.00 0.00 H new ATOM 0 HE ARG A 41 7.327 2.558 20.514 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.975 4.867 22.834 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.967 3.662 24.126 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.253 1.113 22.200 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.659 1.628 23.782 1.00 0.00 H new ATOM 643 N TRP A 42 6.552 9.588 18.708 1.00 0.00 N ATOM 644 CA TRP A 42 5.589 10.672 18.486 1.00 0.00 C ATOM 645 C TRP A 42 5.221 10.819 17.004 1.00 0.00 C ATOM 646 O TRP A 42 4.036 10.859 16.669 1.00 0.00 O ATOM 647 CB TRP A 42 6.127 11.990 19.062 1.00 0.00 C ATOM 648 CG TRP A 42 5.094 13.072 19.179 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.398 13.360 20.303 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.587 13.986 18.153 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.496 14.375 20.048 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.556 14.787 18.734 1.00 0.00 C ATOM 653 CE3 TRP A 42 4.879 14.214 16.789 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.841 15.746 18.001 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.165 15.173 16.042 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.146 15.935 16.642 1.00 0.00 C ATOM 0 H TRP A 42 7.441 9.901 19.099 1.00 0.00 H new ATOM 0 HA TRP A 42 4.670 10.414 19.013 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.550 11.798 20.048 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.941 12.346 18.430 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.528 12.870 21.257 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.865 14.770 20.745 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.662 13.644 16.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.067 16.331 18.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.403 15.324 14.999 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.600 16.663 16.060 1.00 0.00 H new ATOM 667 N LEU A 43 6.213 10.830 16.104 1.00 0.00 N ATOM 668 CA LEU A 43 5.987 10.895 14.655 1.00 0.00 C ATOM 669 C LEU A 43 5.197 9.685 14.137 1.00 0.00 C ATOM 670 O LEU A 43 4.200 9.870 13.440 1.00 0.00 O ATOM 671 CB LEU A 43 7.330 11.012 13.911 1.00 0.00 C ATOM 672 CG LEU A 43 7.990 12.402 13.977 1.00 0.00 C ATOM 673 CD1 LEU A 43 9.363 12.335 13.307 1.00 0.00 C ATOM 674 CD2 LEU A 43 7.176 13.475 13.249 1.00 0.00 C ATOM 0 H LEU A 43 7.199 10.794 16.362 1.00 0.00 H new ATOM 0 HA LEU A 43 5.386 11.783 14.460 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.022 10.278 14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.173 10.750 12.865 1.00 0.00 H new ATOM 0 HG LEU A 43 8.059 12.672 15.031 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.837 13.316 13.350 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.987 11.608 13.827 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.246 12.034 12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.687 14.435 13.327 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.073 13.203 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.188 13.552 13.702 1.00 0.00 H new ATOM 686 N ALA A 44 5.590 8.462 14.503 1.00 0.00 N ATOM 687 CA ALA A 44 4.906 7.241 14.075 1.00 0.00 C ATOM 688 C ALA A 44 3.455 7.153 14.594 1.00 0.00 C ATOM 689 O ALA A 44 2.564 6.711 13.865 1.00 0.00 O ATOM 690 CB ALA A 44 5.736 6.033 14.527 1.00 0.00 C ATOM 0 H ALA A 44 6.394 8.291 15.107 1.00 0.00 H new ATOM 0 HA ALA A 44 4.825 7.253 12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.240 5.114 14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.726 6.082 14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.832 6.044 15.613 1.00 0.00 H new ATOM 696 N SER A 45 3.201 7.607 15.827 1.00 0.00 N ATOM 697 CA SER A 45 1.852 7.653 16.419 1.00 0.00 C ATOM 698 C SER A 45 0.976 8.756 15.808 1.00 0.00 C ATOM 699 O SER A 45 -0.226 8.554 15.619 1.00 0.00 O ATOM 700 CB SER A 45 1.927 7.862 17.937 1.00 0.00 C ATOM 701 OG SER A 45 2.662 6.821 18.559 1.00 0.00 O ATOM 0 H SER A 45 3.929 7.956 16.450 1.00 0.00 H new ATOM 0 HA SER A 45 1.392 6.690 16.197 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.396 8.822 18.152 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.920 7.899 18.352 1.00 0.00 H new ATOM 0 HG SER A 45 3.621 7.004 18.478 1.00 0.00 H new ATOM 707 N SER A 46 1.564 9.910 15.465 1.00 0.00 N ATOM 708 CA SER A 46 0.880 11.015 14.777 1.00 0.00 C ATOM 709 C SER A 46 0.534 10.666 13.318 1.00 0.00 C ATOM 710 O SER A 46 -0.593 10.909 12.874 1.00 0.00 O ATOM 711 CB SER A 46 1.768 12.268 14.826 1.00 0.00 C ATOM 712 OG SER A 46 1.120 13.384 14.236 1.00 0.00 O ATOM 0 H SER A 46 2.546 10.106 15.661 1.00 0.00 H new ATOM 0 HA SER A 46 -0.062 11.202 15.293 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.020 12.497 15.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.705 12.072 14.305 1.00 0.00 H new ATOM 0 HG SER A 46 1.708 14.166 14.283 1.00 0.00 H new ATOM 718 N LYS A 47 1.479 10.057 12.583 1.00 0.00 N ATOM 719 CA LYS A 47 1.362 9.706 11.156 1.00 0.00 C ATOM 720 C LYS A 47 2.269 8.524 10.760 1.00 0.00 C ATOM 721 O LYS A 47 3.435 8.692 10.407 1.00 0.00 O ATOM 722 CB LYS A 47 1.563 10.970 10.284 1.00 0.00 C ATOM 723 CG LYS A 47 2.904 11.714 10.454 1.00 0.00 C ATOM 724 CD LYS A 47 2.839 13.110 9.822 1.00 0.00 C ATOM 725 CE LYS A 47 4.227 13.760 9.841 1.00 0.00 C ATOM 726 NZ LYS A 47 4.182 15.159 9.346 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.379 9.785 12.980 1.00 0.00 H new ATOM 0 HA LYS A 47 0.352 9.342 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.462 10.683 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.755 11.668 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.145 11.801 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.705 11.138 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.477 13.037 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.130 13.732 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.622 13.745 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.911 13.177 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.138 15.568 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.828 15.170 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.548 15.721 9.950 1.00 0.00 H new ATOM 740 N GLY A 48 1.702 7.314 10.782 1.00 0.00 N ATOM 741 CA GLY A 48 2.364 6.057 10.375 1.00 0.00 C ATOM 742 C GLY A 48 1.740 5.374 9.144 1.00 0.00 C ATOM 743 O GLY A 48 2.112 4.246 8.812 1.00 0.00 O ATOM 0 H GLY A 48 0.741 7.171 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.413 6.265 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.338 5.360 11.213 1.00 0.00 H new ATOM 747 N LYS A 49 0.784 6.043 8.479 1.00 0.00 N ATOM 748 CA LYS A 49 -0.014 5.529 7.339 1.00 0.00 C ATOM 749 C LYS A 49 -0.391 6.581 6.276 1.00 0.00 C ATOM 750 O LYS A 49 -0.877 6.221 5.205 1.00 0.00 O ATOM 751 CB LYS A 49 -1.282 4.827 7.876 1.00 0.00 C ATOM 752 CG LYS A 49 -2.177 5.732 8.751 1.00 0.00 C ATOM 753 CD LYS A 49 -2.011 5.487 10.262 1.00 0.00 C ATOM 754 CE LYS A 49 -2.788 4.259 10.758 1.00 0.00 C ATOM 755 NZ LYS A 49 -4.244 4.536 10.887 1.00 0.00 N1+ ATOM 0 H LYS A 49 0.530 6.999 8.727 1.00 0.00 H new ATOM 0 HA LYS A 49 0.632 4.824 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.867 4.461 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.983 3.956 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.948 6.775 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.220 5.571 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.953 5.357 10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.349 6.369 10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.636 3.430 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.392 3.945 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.731 3.681 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.391 5.310 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.628 4.811 9.961 1.00 0.00 H new ATOM 769 N GLN A 50 -0.148 7.867 6.551 1.00 0.00 N ATOM 770 CA GLN A 50 -0.490 9.021 5.699 1.00 0.00 C ATOM 771 C GLN A 50 0.782 9.815 5.326 1.00 0.00 C ATOM 772 O GLN A 50 0.796 11.043 5.277 1.00 0.00 O ATOM 773 CB GLN A 50 -1.569 9.883 6.390 1.00 0.00 C ATOM 774 CG GLN A 50 -2.935 9.178 6.459 1.00 0.00 C ATOM 775 CD GLN A 50 -3.984 10.029 7.177 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.330 11.129 6.763 1.00 0.00 O ATOM 777 NE2 GLN A 50 -4.537 9.563 8.280 1.00 0.00 N ATOM 0 H GLN A 50 0.315 8.150 7.415 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.918 8.674 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.240 10.130 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.677 10.824 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.279 8.955 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.825 8.225 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.263 8.649 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.239 10.116 8.772 1.00 0.00 H new ATOM 786 N VAL A 51 1.878 9.090 5.070 1.00 0.00 N ATOM 787 CA VAL A 51 3.222 9.596 4.711 1.00 0.00 C ATOM 788 C VAL A 51 3.319 10.201 3.291 1.00 0.00 C ATOM 789 O VAL A 51 4.414 10.367 2.748 1.00 0.00 O ATOM 790 CB VAL A 51 4.287 8.496 4.929 1.00 0.00 C ATOM 791 CG1 VAL A 51 4.298 8.019 6.390 1.00 0.00 C ATOM 792 CG2 VAL A 51 4.092 7.273 4.023 1.00 0.00 C ATOM 0 H VAL A 51 1.856 8.071 5.109 1.00 0.00 H new ATOM 0 HA VAL A 51 3.419 10.430 5.385 1.00 0.00 H new ATOM 0 HB VAL A 51 5.238 8.962 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.056 7.246 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.526 8.860 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.320 7.613 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.873 6.540 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.116 6.828 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.148 7.581 2.979 1.00 0.00 H new ATOM 802 N ARG A 52 2.175 10.525 2.672 1.00 0.00 N ATOM 803 CA ARG A 52 2.019 11.048 1.303 1.00 0.00 C ATOM 804 C ARG A 52 1.126 12.293 1.323 1.00 0.00 C ATOM 805 O ARG A 52 0.092 12.312 1.993 1.00 0.00 O ATOM 806 CB ARG A 52 1.392 9.963 0.400 1.00 0.00 C ATOM 807 CG ARG A 52 2.267 8.715 0.179 1.00 0.00 C ATOM 808 CD ARG A 52 3.451 8.940 -0.772 1.00 0.00 C ATOM 809 NE ARG A 52 3.010 9.045 -2.180 1.00 0.00 N ATOM 810 CZ ARG A 52 3.767 8.937 -3.258 1.00 0.00 C ATOM 811 NH1 ARG A 52 5.062 8.803 -3.188 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 3.231 8.947 -4.445 1.00 0.00 N ATOM 0 H ARG A 52 1.276 10.423 3.142 1.00 0.00 H new ATOM 0 HA ARG A 52 2.998 11.319 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.444 9.651 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.165 10.405 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.648 8.376 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.644 7.913 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.979 9.850 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.159 8.117 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 52 2.017 9.219 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.524 8.779 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.613 8.722 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.220 9.039 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.822 8.863 -5.272 1.00 0.00 H new ATOM 826 N ASN A 53 1.523 13.316 0.568 1.00 0.00 N ATOM 827 CA ASN A 53 0.861 14.629 0.492 1.00 0.00 C ATOM 828 C ASN A 53 0.587 15.105 -0.954 1.00 0.00 C ATOM 829 O ASN A 53 -0.223 16.012 -1.156 1.00 0.00 O ATOM 830 CB ASN A 53 1.684 15.649 1.310 1.00 0.00 C ATOM 831 CG ASN A 53 3.141 15.802 0.887 1.00 0.00 C ATOM 832 OD1 ASN A 53 3.602 15.294 -0.127 1.00 0.00 O ATOM 833 ND2 ASN A 53 3.934 16.492 1.676 1.00 0.00 N ATOM 0 H ASN A 53 2.345 13.257 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.133 14.535 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.199 16.622 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.657 15.355 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.921 16.599 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.563 16.920 2.524 1.00 0.00 H new ATOM 840 N PHE A 54 1.189 14.447 -1.951 1.00 0.00 N ATOM 841 CA PHE A 54 0.917 14.591 -3.385 1.00 0.00 C ATOM 842 C PHE A 54 1.051 13.218 -4.069 1.00 0.00 C ATOM 843 O PHE A 54 1.925 12.419 -3.709 1.00 0.00 O ATOM 844 CB PHE A 54 1.895 15.606 -4.007 1.00 0.00 C ATOM 845 CG PHE A 54 1.732 17.034 -3.510 1.00 0.00 C ATOM 846 CD1 PHE A 54 0.673 17.829 -3.992 1.00 0.00 C ATOM 847 CD2 PHE A 54 2.625 17.567 -2.560 1.00 0.00 C ATOM 848 CE1 PHE A 54 0.505 19.145 -3.521 1.00 0.00 C ATOM 849 CE2 PHE A 54 2.454 18.881 -2.086 1.00 0.00 C ATOM 850 CZ PHE A 54 1.394 19.669 -2.566 1.00 0.00 C ATOM 0 H PHE A 54 1.921 13.761 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.098 14.961 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.915 15.279 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.768 15.596 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.012 17.428 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.444 16.965 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.307 19.752 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.137 19.284 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.262 20.677 -2.201 1.00 0.00 H new ATOM 860 N SER A 55 0.177 12.934 -5.042 1.00 0.00 N ATOM 861 CA SER A 55 0.070 11.643 -5.756 1.00 0.00 C ATOM 862 C SER A 55 -0.611 11.758 -7.129 1.00 0.00 C ATOM 863 O SER A 55 -1.287 12.777 -7.404 1.00 0.00 O ATOM 864 CB SER A 55 -0.657 10.611 -4.878 1.00 0.00 C ATOM 865 OG SER A 55 -1.935 11.086 -4.479 1.00 0.00 O ATOM 866 OXT SER A 55 -0.427 10.831 -7.951 1.00 0.00 O1- ATOM 0 H SER A 55 -0.504 13.619 -5.371 1.00 0.00 H new ATOM 0 HA SER A 55 1.089 11.309 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.769 9.676 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.056 10.392 -3.996 1.00 0.00 H new ATOM 0 HG SER A 55 -2.376 10.410 -3.923 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.453 7.327 14.449 1.00 0.00 ZN