USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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= 0.0413 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= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -163:sc= 0.104 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=-0.16) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.814 -14.716 11.239 1.00 0.00 N ATOM 2 CA GLY A 1 18.607 -13.531 10.848 1.00 0.00 C ATOM 3 C GLY A 1 20.000 -13.579 11.457 1.00 0.00 C ATOM 4 O GLY A 1 20.193 -13.125 12.585 1.00 0.00 O ATOM 0 H1 GLY A 1 16.868 -14.658 10.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.292 -15.578 10.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.723 -14.747 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.683 -13.483 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.096 -12.624 11.172 1.00 0.00 H new ATOM 10 N SER A 2 20.975 -14.140 10.735 1.00 0.00 N ATOM 11 CA SER A 2 22.376 -14.278 11.183 1.00 0.00 C ATOM 12 C SER A 2 23.177 -12.963 11.166 1.00 0.00 C ATOM 13 O SER A 2 24.076 -12.783 11.991 1.00 0.00 O ATOM 14 CB SER A 2 23.089 -15.342 10.338 1.00 0.00 C ATOM 15 OG SER A 2 22.797 -15.179 8.957 1.00 0.00 O ATOM 0 H SER A 2 20.815 -14.521 9.802 1.00 0.00 H new ATOM 0 HA SER A 2 22.332 -14.585 12.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.165 -15.275 10.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.781 -16.336 10.663 1.00 0.00 H new ATOM 0 HG SER A 2 23.265 -15.868 8.440 1.00 0.00 H new ATOM 21 N GLU A 3 22.824 -12.011 10.296 1.00 0.00 N ATOM 22 CA GLU A 3 23.283 -10.612 10.332 1.00 0.00 C ATOM 23 C GLU A 3 22.238 -9.649 9.727 1.00 0.00 C ATOM 24 O GLU A 3 21.278 -10.086 9.084 1.00 0.00 O ATOM 25 CB GLU A 3 24.665 -10.446 9.657 1.00 0.00 C ATOM 26 CG GLU A 3 24.729 -10.628 8.130 1.00 0.00 C ATOM 27 CD GLU A 3 24.640 -12.097 7.671 1.00 0.00 C ATOM 28 OE1 GLU A 3 25.541 -12.903 8.015 1.00 0.00 O ATOM 29 OE2 GLU A 3 23.710 -12.437 6.900 1.00 0.00 O1- ATOM 0 H GLU A 3 22.189 -12.196 9.519 1.00 0.00 H new ATOM 0 HA GLU A 3 23.400 -10.342 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.039 -9.450 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.351 -11.161 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.915 -10.065 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.661 -10.198 7.762 1.00 0.00 H new ATOM 36 N PHE A 4 22.433 -8.337 9.916 1.00 0.00 N ATOM 37 CA PHE A 4 21.527 -7.285 9.427 1.00 0.00 C ATOM 38 C PHE A 4 22.134 -6.514 8.242 1.00 0.00 C ATOM 39 O PHE A 4 21.548 -6.467 7.159 1.00 0.00 O ATOM 40 CB PHE A 4 21.188 -6.323 10.582 1.00 0.00 C ATOM 41 CG PHE A 4 20.458 -6.958 11.754 1.00 0.00 C ATOM 42 CD1 PHE A 4 19.051 -7.015 11.761 1.00 0.00 C ATOM 43 CD2 PHE A 4 21.182 -7.470 12.849 1.00 0.00 C ATOM 44 CE1 PHE A 4 18.372 -7.582 12.856 1.00 0.00 C ATOM 45 CE2 PHE A 4 20.503 -8.040 13.941 1.00 0.00 C ATOM 46 CZ PHE A 4 19.097 -8.094 13.945 1.00 0.00 C ATOM 0 H PHE A 4 23.239 -7.969 10.422 1.00 0.00 H new ATOM 0 HA PHE A 4 20.614 -7.760 9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 4 22.113 -5.878 10.948 1.00 0.00 H new ATOM 0 HB3 PHE A 4 20.577 -5.510 10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.492 -6.623 10.924 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.261 -7.425 12.850 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.293 -7.623 12.859 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.061 -8.436 14.777 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.575 -8.529 14.785 1.00 0.00 H new ATOM 56 N THR A 5 23.324 -5.936 8.440 1.00 0.00 N ATOM 57 CA THR A 5 24.127 -5.198 7.445 1.00 0.00 C ATOM 58 C THR A 5 25.539 -4.939 7.999 1.00 0.00 C ATOM 59 O THR A 5 25.748 -4.981 9.216 1.00 0.00 O ATOM 60 CB THR A 5 23.430 -3.879 7.041 1.00 0.00 C ATOM 61 OG1 THR A 5 24.173 -3.215 6.040 1.00 0.00 O ATOM 62 CG2 THR A 5 23.205 -2.896 8.194 1.00 0.00 C ATOM 0 H THR A 5 23.783 -5.970 9.350 1.00 0.00 H new ATOM 0 HA THR A 5 24.217 -5.806 6.545 1.00 0.00 H new ATOM 0 HB THR A 5 22.448 -4.185 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 5 23.718 -2.383 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 5 22.711 -2.000 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 5 22.579 -3.364 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 5 24.165 -2.624 8.633 1.00 0.00 H new ATOM 70 N SER A 6 26.519 -4.681 7.127 1.00 0.00 N ATOM 71 CA SER A 6 27.900 -4.324 7.490 1.00 0.00 C ATOM 72 C SER A 6 28.564 -3.519 6.359 1.00 0.00 C ATOM 73 O SER A 6 29.244 -4.068 5.487 1.00 0.00 O ATOM 74 CB SER A 6 28.703 -5.580 7.863 1.00 0.00 C ATOM 75 OG SER A 6 29.939 -5.218 8.460 1.00 0.00 O ATOM 0 H SER A 6 26.372 -4.715 6.118 1.00 0.00 H new ATOM 0 HA SER A 6 27.881 -3.683 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.126 -6.197 8.552 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.884 -6.181 6.972 1.00 0.00 H new ATOM 0 HG SER A 6 30.439 -6.028 8.694 1.00 0.00 H new ATOM 81 N SER A 7 28.313 -2.205 6.353 1.00 0.00 N ATOM 82 CA SER A 7 28.760 -1.252 5.317 1.00 0.00 C ATOM 83 C SER A 7 29.255 0.080 5.929 1.00 0.00 C ATOM 84 O SER A 7 28.659 1.134 5.675 1.00 0.00 O ATOM 85 CB SER A 7 27.642 -1.019 4.281 1.00 0.00 C ATOM 86 OG SER A 7 27.252 -2.224 3.635 1.00 0.00 O ATOM 0 H SER A 7 27.774 -1.755 7.093 1.00 0.00 H new ATOM 0 HA SER A 7 29.614 -1.695 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.777 -0.577 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 7 27.984 -0.302 3.534 1.00 0.00 H new ATOM 0 HG SER A 7 26.541 -2.033 2.988 1.00 0.00 H new ATOM 92 N PRO A 8 30.314 0.067 6.771 1.00 0.00 N ATOM 93 CA PRO A 8 30.894 1.280 7.358 1.00 0.00 C ATOM 94 C PRO A 8 31.538 2.191 6.294 1.00 0.00 C ATOM 95 O PRO A 8 31.892 1.740 5.199 1.00 0.00 O ATOM 96 CB PRO A 8 31.918 0.780 8.386 1.00 0.00 C ATOM 97 CG PRO A 8 32.376 -0.558 7.806 1.00 0.00 C ATOM 98 CD PRO A 8 31.108 -1.099 7.147 1.00 0.00 C ATOM 0 HA PRO A 8 30.130 1.902 7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 32.750 1.476 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.471 0.659 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 8 33.183 -0.430 7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 8 32.745 -1.229 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.351 -1.703 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.556 -1.741 7.834 1.00 0.00 H new ATOM 106 N ARG A 9 31.723 3.477 6.628 1.00 0.00 N ATOM 107 CA ARG A 9 32.217 4.535 5.712 1.00 0.00 C ATOM 108 C ARG A 9 33.369 5.359 6.311 1.00 0.00 C ATOM 109 O ARG A 9 33.426 6.582 6.172 1.00 0.00 O ATOM 110 CB ARG A 9 31.043 5.401 5.202 1.00 0.00 C ATOM 111 CG ARG A 9 29.992 4.588 4.422 1.00 0.00 C ATOM 112 CD ARG A 9 29.150 5.464 3.483 1.00 0.00 C ATOM 113 NE ARG A 9 28.396 6.511 4.204 1.00 0.00 N ATOM 114 CZ ARG A 9 28.025 7.688 3.728 1.00 0.00 C ATOM 115 NH1 ARG A 9 28.300 8.066 2.509 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 27.361 8.522 4.474 1.00 0.00 N ATOM 0 H ARG A 9 31.530 3.827 7.566 1.00 0.00 H new ATOM 0 HA ARG A 9 32.657 4.044 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 9 30.562 5.888 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.433 6.191 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 9 30.494 3.815 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 9 29.334 4.080 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 9 29.803 5.934 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 9 28.452 4.833 2.933 1.00 0.00 H new ATOM 0 HE ARG A 9 28.135 6.305 5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 9 28.818 7.445 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 9 27.997 8.982 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 9 27.123 8.270 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 9 27.079 9.428 4.100 1.00 0.00 H new ATOM 130 N GLY A 10 34.283 4.678 7.001 1.00 0.00 N ATOM 131 CA GLY A 10 35.555 5.205 7.514 1.00 0.00 C ATOM 132 C GLY A 10 35.767 4.845 8.984 1.00 0.00 C ATOM 133 O GLY A 10 36.632 4.032 9.317 1.00 0.00 O ATOM 0 H GLY A 10 34.153 3.693 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.379 4.808 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 10 35.572 6.289 7.399 1.00 0.00 H new ATOM 137 N ASP A 11 34.930 5.400 9.862 1.00 0.00 N ATOM 138 CA ASP A 11 34.844 5.021 11.278 1.00 0.00 C ATOM 139 C ASP A 11 33.920 3.803 11.467 1.00 0.00 C ATOM 140 O ASP A 11 32.831 3.740 10.884 1.00 0.00 O ATOM 141 CB ASP A 11 34.324 6.211 12.099 1.00 0.00 C ATOM 142 CG ASP A 11 35.350 7.354 12.164 1.00 0.00 C ATOM 143 OD1 ASP A 11 36.359 7.218 12.898 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 35.151 8.394 11.492 1.00 0.00 O ATOM 0 H ASP A 11 34.278 6.141 9.606 1.00 0.00 H new ATOM 0 HA ASP A 11 35.840 4.747 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 11 33.398 6.579 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 11 34.086 5.879 13.109 1.00 0.00 H new ATOM 149 N LYS A 12 34.345 2.834 12.291 1.00 0.00 N ATOM 150 CA LYS A 12 33.579 1.609 12.588 1.00 0.00 C ATOM 151 C LYS A 12 32.327 1.885 13.434 1.00 0.00 C ATOM 152 O LYS A 12 31.243 1.427 13.077 1.00 0.00 O ATOM 153 CB LYS A 12 34.520 0.591 13.262 1.00 0.00 C ATOM 154 CG LYS A 12 33.820 -0.746 13.563 1.00 0.00 C ATOM 155 CD LYS A 12 34.738 -1.767 14.256 1.00 0.00 C ATOM 156 CE LYS A 12 35.927 -2.243 13.405 1.00 0.00 C ATOM 157 NZ LYS A 12 35.498 -3.061 12.239 1.00 0.00 N1+ ATOM 0 H LYS A 12 35.241 2.877 12.777 1.00 0.00 H new ATOM 0 HA LYS A 12 33.205 1.193 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 12 35.379 0.411 12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 12 34.903 1.014 14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 12 32.952 -0.560 14.195 1.00 0.00 H new ATOM 0 HG3 LYS A 12 33.450 -1.173 12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 35.121 -1.325 15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 12 34.143 -2.634 14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 36.487 -1.377 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 12 36.604 -2.829 14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 36.334 -3.358 11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 34.986 -3.902 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 34.873 -2.496 11.629 1.00 0.00 H new ATOM 171 N ALA A 13 32.485 2.640 14.528 1.00 0.00 N ATOM 172 CA ALA A 13 31.443 3.024 15.494 1.00 0.00 C ATOM 173 C ALA A 13 30.422 1.903 15.830 1.00 0.00 C ATOM 174 O ALA A 13 29.209 2.079 15.683 1.00 0.00 O ATOM 175 CB ALA A 13 30.810 4.342 15.016 1.00 0.00 C ATOM 0 H ALA A 13 33.396 3.023 14.779 1.00 0.00 H new ATOM 0 HA ALA A 13 31.910 3.187 16.465 1.00 0.00 H new ATOM 0 HB1 ALA A 13 30.033 4.648 15.717 1.00 0.00 H new ATOM 0 HB2 ALA A 13 31.576 5.116 14.963 1.00 0.00 H new ATOM 0 HB3 ALA A 13 30.371 4.198 14.029 1.00 0.00 H new ATOM 181 N ALA A 14 30.917 0.730 16.256 1.00 0.00 N ATOM 182 CA ALA A 14 30.118 -0.492 16.449 1.00 0.00 C ATOM 183 C ALA A 14 30.516 -1.324 17.695 1.00 0.00 C ATOM 184 O ALA A 14 30.417 -2.553 17.690 1.00 0.00 O ATOM 185 CB ALA A 14 30.161 -1.309 15.146 1.00 0.00 C ATOM 0 H ALA A 14 31.904 0.601 16.481 1.00 0.00 H new ATOM 0 HA ALA A 14 29.091 -0.197 16.665 1.00 0.00 H new ATOM 0 HB1 ALA A 14 29.574 -2.220 15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 14 29.746 -0.716 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 14 31.193 -1.571 14.915 1.00 0.00 H new ATOM 191 N TYR A 15 30.956 -0.668 18.777 1.00 0.00 N ATOM 192 CA TYR A 15 31.332 -1.271 20.077 1.00 0.00 C ATOM 193 C TYR A 15 30.171 -1.930 20.879 1.00 0.00 C ATOM 194 O TYR A 15 30.291 -2.148 22.086 1.00 0.00 O ATOM 195 CB TYR A 15 32.067 -0.195 20.908 1.00 0.00 C ATOM 196 CG TYR A 15 33.522 0.006 20.531 1.00 0.00 C ATOM 197 CD1 TYR A 15 34.489 -0.903 21.005 1.00 0.00 C ATOM 198 CD2 TYR A 15 33.919 1.110 19.749 1.00 0.00 C ATOM 199 CE1 TYR A 15 35.851 -0.711 20.708 1.00 0.00 C ATOM 200 CE2 TYR A 15 35.283 1.304 19.449 1.00 0.00 C ATOM 201 CZ TYR A 15 36.253 0.397 19.929 1.00 0.00 C ATOM 202 OH TYR A 15 37.570 0.599 19.646 1.00 0.00 O ATOM 0 H TYR A 15 31.067 0.346 18.777 1.00 0.00 H new ATOM 0 HA TYR A 15 31.984 -2.117 19.859 1.00 0.00 H new ATOM 0 HB2 TYR A 15 31.542 0.754 20.797 1.00 0.00 H new ATOM 0 HB3 TYR A 15 32.012 -0.468 21.962 1.00 0.00 H new ATOM 0 HD1 TYR A 15 34.183 -1.751 21.599 1.00 0.00 H new ATOM 0 HD2 TYR A 15 33.180 1.806 19.380 1.00 0.00 H new ATOM 0 HE1 TYR A 15 36.588 -1.410 21.075 1.00 0.00 H new ATOM 0 HE2 TYR A 15 35.587 2.150 18.850 1.00 0.00 H new ATOM 0 HH TYR A 15 37.667 1.406 19.099 1.00 0.00 H new ATOM 212 N ASP A 16 29.039 -2.250 20.240 1.00 0.00 N ATOM 213 CA ASP A 16 27.818 -2.817 20.849 1.00 0.00 C ATOM 214 C ASP A 16 27.286 -2.013 22.063 1.00 0.00 C ATOM 215 O ASP A 16 26.835 -2.565 23.072 1.00 0.00 O ATOM 216 CB ASP A 16 28.013 -4.325 21.105 1.00 0.00 C ATOM 217 CG ASP A 16 26.696 -5.064 21.413 1.00 0.00 C ATOM 218 OD1 ASP A 16 25.680 -4.826 20.713 1.00 0.00 O ATOM 219 OD2 ASP A 16 26.681 -5.931 22.322 1.00 0.00 O1- ATOM 0 H ASP A 16 28.939 -2.116 19.234 1.00 0.00 H new ATOM 0 HA ASP A 16 27.004 -2.716 20.132 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.480 -4.778 20.231 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.701 -4.459 21.940 1.00 0.00 H new ATOM 224 N ILE A 17 27.350 -0.680 21.949 1.00 0.00 N ATOM 225 CA ILE A 17 26.853 0.308 22.928 1.00 0.00 C ATOM 226 C ILE A 17 25.960 1.354 22.249 1.00 0.00 C ATOM 227 O ILE A 17 24.868 1.640 22.742 1.00 0.00 O ATOM 228 CB ILE A 17 28.028 0.928 23.732 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.580 1.986 24.771 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.187 1.450 22.859 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.452 3.447 24.296 1.00 0.00 C ATOM 0 H ILE A 17 27.770 -0.235 21.133 1.00 0.00 H new ATOM 0 HA ILE A 17 26.221 -0.202 23.655 1.00 0.00 H new ATOM 0 HB ILE A 17 28.428 0.083 24.293 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.614 1.677 25.169 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.288 1.963 25.599 1.00 0.00 H new ATOM 0 HG21 ILE A 17 29.965 1.866 23.499 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.600 0.629 22.273 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.816 2.224 22.187 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.131 4.073 25.128 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.417 3.797 23.930 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.717 3.506 23.493 1.00 0.00 H new ATOM 243 N LEU A 18 26.378 1.865 21.085 1.00 0.00 N ATOM 244 CA LEU A 18 25.561 2.707 20.205 1.00 0.00 C ATOM 245 C LEU A 18 24.303 1.951 19.733 1.00 0.00 C ATOM 246 O LEU A 18 24.344 0.737 19.506 1.00 0.00 O ATOM 247 CB LEU A 18 26.419 3.137 18.997 1.00 0.00 C ATOM 248 CG LEU A 18 27.564 4.111 19.347 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.695 4.005 18.329 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.076 5.559 19.354 1.00 0.00 C ATOM 0 H LEU A 18 27.316 1.700 20.721 1.00 0.00 H new ATOM 0 HA LEU A 18 25.228 3.588 20.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.844 2.247 18.533 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.772 3.606 18.255 1.00 0.00 H new ATOM 0 HG LEU A 18 27.921 3.835 20.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.491 4.700 18.596 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.088 2.988 18.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.316 4.251 17.337 1.00 0.00 H new ATOM 0 HD21 LEU A 18 27.905 6.221 19.604 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.690 5.817 18.368 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.285 5.673 20.095 1.00 0.00 H new ATOM 262 N ARG A 19 23.202 2.681 19.523 1.00 0.00 N ATOM 263 CA ARG A 19 21.898 2.147 19.088 1.00 0.00 C ATOM 264 C ARG A 19 21.425 2.923 17.857 1.00 0.00 C ATOM 265 O ARG A 19 21.466 4.155 17.852 1.00 0.00 O ATOM 266 CB ARG A 19 20.916 2.248 20.276 1.00 0.00 C ATOM 267 CG ARG A 19 19.717 1.283 20.284 1.00 0.00 C ATOM 268 CD ARG A 19 18.654 1.537 19.204 1.00 0.00 C ATOM 269 NE ARG A 19 17.397 0.821 19.510 1.00 0.00 N ATOM 270 CZ ARG A 19 17.026 -0.377 19.091 1.00 0.00 C ATOM 271 NH1 ARG A 19 17.761 -1.102 18.294 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 15.891 -0.884 19.476 1.00 0.00 N ATOM 0 H ARG A 19 23.189 3.692 19.654 1.00 0.00 H new ATOM 0 HA ARG A 19 21.966 1.099 18.797 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.481 2.092 21.195 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.530 3.267 20.309 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.091 0.266 20.168 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.237 1.337 21.261 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.457 2.606 19.129 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.033 1.214 18.234 1.00 0.00 H new ATOM 0 HE ARG A 19 16.738 1.309 20.116 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.661 -0.750 17.969 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.435 -2.021 17.996 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.284 -0.357 20.103 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.609 -1.808 19.150 1.00 0.00 H new ATOM 286 N ARG A 20 20.996 2.197 16.818 1.00 0.00 N ATOM 287 CA ARG A 20 20.574 2.747 15.516 1.00 0.00 C ATOM 288 C ARG A 20 19.056 2.711 15.335 1.00 0.00 C ATOM 289 O ARG A 20 18.411 1.725 15.699 1.00 0.00 O ATOM 290 CB ARG A 20 21.322 2.029 14.376 1.00 0.00 C ATOM 291 CG ARG A 20 20.922 0.559 14.142 1.00 0.00 C ATOM 292 CD ARG A 20 21.915 -0.156 13.214 1.00 0.00 C ATOM 293 NE ARG A 20 23.226 -0.369 13.866 1.00 0.00 N ATOM 294 CZ ARG A 20 24.347 -0.759 13.287 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.418 -1.020 12.012 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.435 -0.901 13.990 1.00 0.00 N ATOM 0 H ARG A 20 20.929 1.180 16.857 1.00 0.00 H new ATOM 0 HA ARG A 20 20.845 3.802 15.486 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.158 2.583 13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.391 2.067 14.586 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.876 0.037 15.098 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.923 0.518 13.708 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.500 -1.117 12.911 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.052 0.433 12.307 1.00 0.00 H new ATOM 0 HE ARG A 20 23.268 -0.196 14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.589 -0.925 11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.302 -1.319 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.423 -0.711 14.992 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.298 -1.202 13.538 1.00 0.00 H new ATOM 310 N CYS A 21 18.498 3.775 14.760 1.00 0.00 N ATOM 311 CA CYS A 21 17.085 3.853 14.392 1.00 0.00 C ATOM 312 C CYS A 21 16.839 3.139 13.049 1.00 0.00 C ATOM 313 O CYS A 21 17.447 3.485 12.031 1.00 0.00 O ATOM 314 CB CYS A 21 16.695 5.334 14.337 1.00 0.00 C ATOM 315 SG CYS A 21 14.915 5.475 14.018 1.00 0.00 S ATOM 0 H CYS A 21 19.023 4.620 14.533 1.00 0.00 H new ATOM 0 HA CYS A 21 16.463 3.347 15.130 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.947 5.823 15.278 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.258 5.841 13.553 1.00 0.00 H new ATOM 320 N SER A 22 15.936 2.155 13.037 1.00 0.00 N ATOM 321 CA SER A 22 15.574 1.374 11.841 1.00 0.00 C ATOM 322 C SER A 22 14.901 2.196 10.726 1.00 0.00 C ATOM 323 O SER A 22 14.829 1.727 9.588 1.00 0.00 O ATOM 324 CB SER A 22 14.659 0.203 12.222 1.00 0.00 C ATOM 325 OG SER A 22 15.294 -0.645 13.170 1.00 0.00 O ATOM 0 H SER A 22 15.424 1.870 13.872 1.00 0.00 H new ATOM 0 HA SER A 22 16.520 1.013 11.437 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.726 0.584 12.636 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.402 -0.369 11.330 1.00 0.00 H new ATOM 0 HG SER A 22 14.694 -1.384 13.401 1.00 0.00 H new ATOM 331 N GLN A 23 14.440 3.420 11.021 1.00 0.00 N ATOM 332 CA GLN A 23 13.815 4.333 10.051 1.00 0.00 C ATOM 333 C GLN A 23 14.662 5.593 9.789 1.00 0.00 C ATOM 334 O GLN A 23 14.711 6.055 8.646 1.00 0.00 O ATOM 335 CB GLN A 23 12.406 4.736 10.525 1.00 0.00 C ATOM 336 CG GLN A 23 11.331 3.646 10.361 1.00 0.00 C ATOM 337 CD GLN A 23 11.474 2.460 11.315 1.00 0.00 C ATOM 338 OE1 GLN A 23 11.722 1.330 10.914 1.00 0.00 O ATOM 339 NE2 GLN A 23 11.311 2.659 12.607 1.00 0.00 N ATOM 0 H GLN A 23 14.492 3.812 11.961 1.00 0.00 H new ATOM 0 HA GLN A 23 13.744 3.790 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.459 5.018 11.576 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.092 5.622 9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.350 4.097 10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.361 3.276 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.104 3.595 12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.392 1.878 13.258 1.00 0.00 H new ATOM 348 N CYS A 24 15.349 6.132 10.806 1.00 0.00 N ATOM 349 CA CYS A 24 16.100 7.388 10.696 1.00 0.00 C ATOM 350 C CYS A 24 17.581 7.176 10.294 1.00 0.00 C ATOM 351 O CYS A 24 18.225 8.101 9.794 1.00 0.00 O ATOM 352 CB CYS A 24 15.998 8.162 12.024 1.00 0.00 C ATOM 353 SG CYS A 24 14.284 8.308 12.627 1.00 0.00 S ATOM 0 H CYS A 24 15.399 5.706 11.732 1.00 0.00 H new ATOM 0 HA CYS A 24 15.651 7.970 9.891 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.602 7.660 12.779 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.418 9.159 11.891 1.00 0.00 H new ATOM 358 N GLY A 25 18.137 5.977 10.520 1.00 0.00 N ATOM 359 CA GLY A 25 19.506 5.580 10.154 1.00 0.00 C ATOM 360 C GLY A 25 20.632 6.130 11.046 1.00 0.00 C ATOM 361 O GLY A 25 21.753 5.622 10.996 1.00 0.00 O ATOM 0 H GLY A 25 17.625 5.226 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.562 4.491 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.693 5.900 9.129 1.00 0.00 H new ATOM 365 N ILE A 26 20.355 7.150 11.866 1.00 0.00 N ATOM 366 CA ILE A 26 21.286 7.748 12.840 1.00 0.00 C ATOM 367 C ILE A 26 21.630 6.783 13.992 1.00 0.00 C ATOM 368 O ILE A 26 20.830 5.909 14.342 1.00 0.00 O ATOM 369 CB ILE A 26 20.697 9.095 13.337 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.734 9.915 14.139 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.389 8.899 14.129 1.00 0.00 C ATOM 372 CD1 ILE A 26 21.340 11.382 14.356 1.00 0.00 C ATOM 0 H ILE A 26 19.441 7.602 11.872 1.00 0.00 H new ATOM 0 HA ILE A 26 22.238 7.946 12.348 1.00 0.00 H new ATOM 0 HB ILE A 26 20.445 9.675 12.449 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.883 9.442 15.110 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.691 9.880 13.618 1.00 0.00 H new ATOM 0 HG21 ILE A 26 19.013 9.868 14.457 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.646 8.419 13.492 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.581 8.271 14.999 1.00 0.00 H new ATOM 0 HD11 ILE A 26 22.119 11.888 14.926 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.220 11.873 13.390 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.400 11.429 14.906 1.00 0.00 H new ATOM 384 N LEU A 27 22.808 6.966 14.606 1.00 0.00 N ATOM 385 CA LEU A 27 23.287 6.236 15.788 1.00 0.00 C ATOM 386 C LEU A 27 23.470 7.203 16.969 1.00 0.00 C ATOM 387 O LEU A 27 24.092 8.256 16.811 1.00 0.00 O ATOM 388 CB LEU A 27 24.636 5.538 15.499 1.00 0.00 C ATOM 389 CG LEU A 27 24.564 4.242 14.675 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.368 4.475 13.177 1.00 0.00 C ATOM 391 CD2 LEU A 27 25.854 3.435 14.840 1.00 0.00 C ATOM 0 H LEU A 27 23.482 7.657 14.278 1.00 0.00 H new ATOM 0 HA LEU A 27 22.542 5.481 16.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.281 6.243 14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.117 5.313 16.451 1.00 0.00 H new ATOM 0 HG LEU A 27 23.695 3.708 15.059 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.327 3.515 12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.436 5.016 13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.201 5.060 12.788 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.789 2.520 14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.701 4.028 14.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.992 3.181 15.891 1.00 0.00 H new ATOM 403 N LEU A 28 22.980 6.823 18.154 1.00 0.00 N ATOM 404 CA LEU A 28 23.113 7.577 19.413 1.00 0.00 C ATOM 405 C LEU A 28 23.681 6.665 20.528 1.00 0.00 C ATOM 406 O LEU A 28 23.440 5.454 20.488 1.00 0.00 O ATOM 407 CB LEU A 28 21.742 8.134 19.862 1.00 0.00 C ATOM 408 CG LEU A 28 21.007 9.209 19.034 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.909 10.370 18.621 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.289 8.651 17.806 1.00 0.00 C ATOM 0 H LEU A 28 22.461 5.952 18.271 1.00 0.00 H new ATOM 0 HA LEU A 28 23.797 8.407 19.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.066 7.283 19.951 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.876 8.541 20.864 1.00 0.00 H new ATOM 0 HG LEU A 28 20.249 9.592 19.717 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.332 11.091 18.042 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.307 10.856 19.512 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.732 9.993 18.014 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.795 9.463 17.273 1.00 0.00 H new ATOM 0 HD22 LEU A 28 21.014 8.172 17.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.546 7.919 18.121 1.00 0.00 H new ATOM 422 N PRO A 29 24.415 7.205 21.527 1.00 0.00 N ATOM 423 CA PRO A 29 25.051 6.404 22.580 1.00 0.00 C ATOM 424 C PRO A 29 24.050 5.858 23.616 1.00 0.00 C ATOM 425 O PRO A 29 23.815 4.650 23.653 1.00 0.00 O ATOM 426 CB PRO A 29 26.122 7.316 23.195 1.00 0.00 C ATOM 427 CG PRO A 29 25.603 8.731 22.935 1.00 0.00 C ATOM 428 CD PRO A 29 24.850 8.595 21.613 1.00 0.00 C ATOM 0 HA PRO A 29 25.496 5.498 22.169 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.243 7.126 24.261 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.095 7.157 22.731 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.948 9.072 23.737 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.418 9.451 22.861 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.996 9.272 21.581 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.493 8.853 20.772 1.00 0.00 H new ATOM 436 N LEU A 30 23.446 6.724 24.445 1.00 0.00 N ATOM 437 CA LEU A 30 22.488 6.346 25.501 1.00 0.00 C ATOM 438 C LEU A 30 21.619 7.533 25.985 1.00 0.00 C ATOM 439 O LEU A 30 20.399 7.453 25.827 1.00 0.00 O ATOM 440 CB LEU A 30 23.250 5.634 26.648 1.00 0.00 C ATOM 441 CG LEU A 30 22.430 5.341 27.921 1.00 0.00 C ATOM 442 CD1 LEU A 30 21.225 4.437 27.649 1.00 0.00 C ATOM 443 CD2 LEU A 30 23.323 4.649 28.951 1.00 0.00 C ATOM 0 H LEU A 30 23.613 7.729 24.400 1.00 0.00 H new ATOM 0 HA LEU A 30 21.766 5.645 25.082 1.00 0.00 H new ATOM 0 HB2 LEU A 30 23.643 4.691 26.267 1.00 0.00 H new ATOM 0 HB3 LEU A 30 24.107 6.248 26.925 1.00 0.00 H new ATOM 0 HG LEU A 30 22.061 6.298 28.290 1.00 0.00 H new ATOM 0 HD11 LEU A 30 20.683 4.263 28.579 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.564 4.919 26.929 1.00 0.00 H new ATOM 0 HD13 LEU A 30 21.568 3.484 27.246 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.746 4.441 29.852 1.00 0.00 H new ATOM 0 HD22 LEU A 30 23.699 3.714 28.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 24.162 5.299 29.200 1.00 0.00 H new ATOM 455 N PRO A 31 22.168 8.652 26.513 1.00 0.00 N ATOM 456 CA PRO A 31 21.331 9.762 26.985 1.00 0.00 C ATOM 457 C PRO A 31 20.618 10.511 25.842 1.00 0.00 C ATOM 458 O PRO A 31 19.451 10.877 25.983 1.00 0.00 O ATOM 459 CB PRO A 31 22.258 10.666 27.806 1.00 0.00 C ATOM 460 CG PRO A 31 23.659 10.348 27.291 1.00 0.00 C ATOM 461 CD PRO A 31 23.561 8.880 26.883 1.00 0.00 C ATOM 0 HA PRO A 31 20.507 9.392 27.595 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.013 11.719 27.664 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.171 10.459 28.873 1.00 0.00 H new ATOM 0 HG2 PRO A 31 23.931 10.982 26.447 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.415 10.501 28.061 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.226 8.663 26.047 1.00 0.00 H new ATOM 0 HD3 PRO A 31 23.857 8.227 27.704 1.00 0.00 H new ATOM 469 N ILE A 32 21.275 10.682 24.685 1.00 0.00 N ATOM 470 CA ILE A 32 20.663 11.279 23.478 1.00 0.00 C ATOM 471 C ILE A 32 19.736 10.278 22.759 1.00 0.00 C ATOM 472 O ILE A 32 18.749 10.683 22.141 1.00 0.00 O ATOM 473 CB ILE A 32 21.741 11.851 22.518 1.00 0.00 C ATOM 474 CG1 ILE A 32 22.739 12.794 23.239 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.081 12.648 21.378 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.070 12.112 23.580 1.00 0.00 C ATOM 0 H ILE A 32 22.250 10.411 24.555 1.00 0.00 H new ATOM 0 HA ILE A 32 20.044 12.114 23.806 1.00 0.00 H new ATOM 0 HB ILE A 32 22.286 10.991 22.129 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.933 13.660 22.607 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.282 13.165 24.156 1.00 0.00 H new ATOM 0 HG21 ILE A 32 21.852 13.041 20.715 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.417 11.994 20.814 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.507 13.474 21.797 1.00 0.00 H new ATOM 0 HD11 ILE A 32 24.725 12.823 24.083 1.00 0.00 H new ATOM 0 HD12 ILE A 32 23.885 11.262 24.237 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.547 11.765 22.663 1.00 0.00 H new ATOM 488 N LEU A 33 19.994 8.968 22.879 1.00 0.00 N ATOM 489 CA LEU A 33 19.133 7.919 22.314 1.00 0.00 C ATOM 490 C LEU A 33 17.702 8.028 22.849 1.00 0.00 C ATOM 491 O LEU A 33 16.759 7.973 22.066 1.00 0.00 O ATOM 492 CB LEU A 33 19.760 6.532 22.576 1.00 0.00 C ATOM 493 CG LEU A 33 19.054 5.293 21.983 1.00 0.00 C ATOM 494 CD1 LEU A 33 17.828 4.831 22.774 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.642 5.447 20.516 1.00 0.00 C ATOM 0 H LEU A 33 20.809 8.605 23.373 1.00 0.00 H new ATOM 0 HA LEU A 33 19.064 8.054 21.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.781 6.549 22.194 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.826 6.394 23.655 1.00 0.00 H new ATOM 0 HG LEU A 33 19.831 4.532 22.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.391 3.957 22.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.127 4.573 23.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.091 5.634 22.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.153 4.533 20.177 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.952 6.285 20.418 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.527 5.632 19.907 1.00 0.00 H new ATOM 507 N ASN A 34 17.527 8.261 24.155 1.00 0.00 N ATOM 508 CA ASN A 34 16.205 8.443 24.762 1.00 0.00 C ATOM 509 C ASN A 34 15.413 9.611 24.128 1.00 0.00 C ATOM 510 O ASN A 34 14.218 9.474 23.861 1.00 0.00 O ATOM 511 CB ASN A 34 16.390 8.614 26.281 1.00 0.00 C ATOM 512 CG ASN A 34 15.073 8.589 27.047 1.00 0.00 C ATOM 513 OD1 ASN A 34 14.167 7.817 26.762 1.00 0.00 O ATOM 514 ND2 ASN A 34 14.924 9.417 28.057 1.00 0.00 N ATOM 0 H ASN A 34 18.298 8.328 24.820 1.00 0.00 H new ATOM 0 HA ASN A 34 15.597 7.559 24.568 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.036 7.820 26.655 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.899 9.558 26.476 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.058 9.413 28.596 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.674 10.064 28.301 1.00 0.00 H new ATOM 521 N GLN A 35 16.082 10.730 23.815 1.00 0.00 N ATOM 522 CA GLN A 35 15.467 11.864 23.112 1.00 0.00 C ATOM 523 C GLN A 35 15.037 11.494 21.682 1.00 0.00 C ATOM 524 O GLN A 35 13.919 11.834 21.281 1.00 0.00 O ATOM 525 CB GLN A 35 16.427 13.068 23.122 1.00 0.00 C ATOM 526 CG GLN A 35 15.771 14.339 22.555 1.00 0.00 C ATOM 527 CD GLN A 35 16.715 15.538 22.608 1.00 0.00 C ATOM 528 OE1 GLN A 35 16.716 16.328 23.543 1.00 0.00 O ATOM 529 NE2 GLN A 35 17.558 15.722 21.613 1.00 0.00 N ATOM 0 H GLN A 35 17.066 10.874 24.043 1.00 0.00 H new ATOM 0 HA GLN A 35 14.556 12.139 23.643 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.759 13.257 24.143 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.315 12.828 22.537 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.467 14.162 21.523 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.866 14.564 23.120 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.569 15.072 20.827 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.200 16.514 21.628 1.00 0.00 H new ATOM 538 N HIS A 36 15.868 10.758 20.927 1.00 0.00 N ATOM 539 CA HIS A 36 15.452 10.224 19.624 1.00 0.00 C ATOM 540 C HIS A 36 14.251 9.286 19.778 1.00 0.00 C ATOM 541 O HIS A 36 13.274 9.435 19.054 1.00 0.00 O ATOM 542 CB HIS A 36 16.598 9.505 18.892 1.00 0.00 C ATOM 543 CG HIS A 36 16.235 9.170 17.457 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.454 9.984 16.372 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.536 8.080 16.995 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.904 9.413 15.291 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.307 8.240 15.609 1.00 0.00 N ATOM 0 H HIS A 36 16.823 10.522 21.195 1.00 0.00 H new ATOM 0 HA HIS A 36 15.161 11.078 19.013 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.487 10.135 18.903 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.850 8.589 19.425 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.952 10.874 16.387 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.215 7.240 17.593 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.933 9.834 14.297 1.00 0.00 H new ATOM 555 N GLN A 37 14.294 8.352 20.733 1.00 0.00 N ATOM 556 CA GLN A 37 13.267 7.328 20.916 1.00 0.00 C ATOM 557 C GLN A 37 11.873 7.935 21.143 1.00 0.00 C ATOM 558 O GLN A 37 10.914 7.498 20.510 1.00 0.00 O ATOM 559 CB GLN A 37 13.669 6.391 22.072 1.00 0.00 C ATOM 560 CG GLN A 37 13.085 4.975 21.935 1.00 0.00 C ATOM 561 CD GLN A 37 13.922 4.084 21.012 1.00 0.00 C ATOM 562 OE1 GLN A 37 14.791 3.336 21.442 1.00 0.00 O ATOM 563 NE2 GLN A 37 13.711 4.118 19.713 1.00 0.00 N ATOM 0 H GLN A 37 15.055 8.287 21.409 1.00 0.00 H new ATOM 0 HA GLN A 37 13.200 6.747 19.996 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.756 6.326 22.117 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.336 6.825 23.015 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.022 4.514 22.921 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.068 5.040 21.548 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.993 4.732 19.329 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.265 3.530 19.091 1.00 0.00 H new ATOM 572 N GLU A 38 11.757 8.975 21.980 1.00 0.00 N ATOM 573 CA GLU A 38 10.486 9.680 22.201 1.00 0.00 C ATOM 574 C GLU A 38 9.985 10.414 20.944 1.00 0.00 C ATOM 575 O GLU A 38 8.817 10.259 20.583 1.00 0.00 O ATOM 576 CB GLU A 38 10.593 10.666 23.377 1.00 0.00 C ATOM 577 CG GLU A 38 10.740 9.952 24.728 1.00 0.00 C ATOM 578 CD GLU A 38 10.587 10.920 25.919 1.00 0.00 C ATOM 579 OE1 GLU A 38 11.271 11.972 25.962 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 9.781 10.634 26.839 1.00 0.00 O ATOM 0 H GLU A 38 12.537 9.350 22.520 1.00 0.00 H new ATOM 0 HA GLU A 38 9.753 8.911 22.445 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.449 11.322 23.221 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.706 11.299 23.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.991 9.164 24.804 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.716 9.469 24.778 1.00 0.00 H new ATOM 587 N LYS A 39 10.841 11.176 20.243 1.00 0.00 N ATOM 588 CA LYS A 39 10.456 11.899 19.013 1.00 0.00 C ATOM 589 C LYS A 39 10.068 10.947 17.873 1.00 0.00 C ATOM 590 O LYS A 39 9.040 11.144 17.224 1.00 0.00 O ATOM 591 CB LYS A 39 11.597 12.854 18.599 1.00 0.00 C ATOM 592 CG LYS A 39 11.462 13.458 17.185 1.00 0.00 C ATOM 593 CD LYS A 39 10.191 14.298 16.956 1.00 0.00 C ATOM 594 CE LYS A 39 9.815 14.379 15.467 1.00 0.00 C ATOM 595 NZ LYS A 39 10.829 15.101 14.653 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.816 11.310 20.509 1.00 0.00 H new ATOM 0 HA LYS A 39 9.563 12.486 19.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.649 13.668 19.322 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.542 12.314 18.658 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.333 14.083 16.988 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.480 12.647 16.456 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.363 13.863 17.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.346 15.304 17.346 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.691 13.370 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.852 14.880 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.523 15.125 13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.930 16.073 15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.743 14.610 14.722 1.00 0.00 H new ATOM 609 N CYS A 40 10.884 9.922 17.641 1.00 0.00 N ATOM 610 CA CYS A 40 10.705 8.916 16.597 1.00 0.00 C ATOM 611 C CYS A 40 9.396 8.125 16.824 1.00 0.00 C ATOM 612 O CYS A 40 8.585 7.982 15.904 1.00 0.00 O ATOM 613 CB CYS A 40 11.982 8.054 16.609 1.00 0.00 C ATOM 614 SG CYS A 40 12.288 7.209 15.037 1.00 0.00 S ATOM 0 H CYS A 40 11.723 9.763 18.199 1.00 0.00 H new ATOM 0 HA CYS A 40 10.585 9.352 15.605 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.837 8.687 16.846 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.904 7.312 17.404 1.00 0.00 H new ATOM 619 N ARG A 41 9.123 7.717 18.078 1.00 0.00 N ATOM 620 CA ARG A 41 7.842 7.119 18.497 1.00 0.00 C ATOM 621 C ARG A 41 6.658 8.072 18.316 1.00 0.00 C ATOM 622 O ARG A 41 5.632 7.652 17.785 1.00 0.00 O ATOM 623 CB ARG A 41 7.951 6.633 19.954 1.00 0.00 C ATOM 624 CG ARG A 41 6.661 5.962 20.461 1.00 0.00 C ATOM 625 CD ARG A 41 6.816 5.396 21.879 1.00 0.00 C ATOM 626 NE ARG A 41 7.690 4.205 21.910 1.00 0.00 N ATOM 627 CZ ARG A 41 7.975 3.468 22.970 1.00 0.00 C ATOM 628 NH1 ARG A 41 7.509 3.746 24.156 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 8.741 2.422 22.856 1.00 0.00 N ATOM 0 H ARG A 41 9.797 7.795 18.840 1.00 0.00 H new ATOM 0 HA ARG A 41 7.643 6.267 17.847 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.778 5.927 20.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.191 7.480 20.597 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.848 6.688 20.449 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.381 5.158 19.780 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.228 6.165 22.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.834 5.135 22.274 1.00 0.00 H new ATOM 0 HE ARG A 41 8.115 3.924 21.027 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.903 4.555 24.289 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.751 3.154 24.951 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.125 2.168 21.946 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.958 1.857 23.677 1.00 0.00 H new ATOM 643 N TRP A 42 6.783 9.339 18.725 1.00 0.00 N ATOM 644 CA TRP A 42 5.711 10.334 18.586 1.00 0.00 C ATOM 645 C TRP A 42 5.297 10.513 17.120 1.00 0.00 C ATOM 646 O TRP A 42 4.110 10.416 16.805 1.00 0.00 O ATOM 647 CB TRP A 42 6.128 11.674 19.211 1.00 0.00 C ATOM 648 CG TRP A 42 5.029 12.692 19.291 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.223 12.881 20.361 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.574 13.648 18.277 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.302 13.872 20.084 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.463 14.372 18.810 1.00 0.00 C ATOM 653 CE3 TRP A 42 4.976 13.977 16.962 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.781 15.357 18.078 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.297 14.963 16.217 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.201 15.650 16.770 1.00 0.00 C ATOM 0 H TRP A 42 7.629 9.705 19.162 1.00 0.00 H new ATOM 0 HA TRP A 42 4.840 9.963 19.127 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.509 11.489 20.216 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.951 12.091 18.630 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.290 12.338 21.292 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.591 14.194 20.741 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.818 13.464 16.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.945 15.882 18.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.621 15.193 15.213 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.684 16.401 16.191 1.00 0.00 H new ATOM 667 N LEU A 43 6.270 10.686 16.217 1.00 0.00 N ATOM 668 CA LEU A 43 6.032 10.807 14.776 1.00 0.00 C ATOM 669 C LEU A 43 5.438 9.521 14.173 1.00 0.00 C ATOM 670 O LEU A 43 4.476 9.587 13.409 1.00 0.00 O ATOM 671 CB LEU A 43 7.355 11.201 14.092 1.00 0.00 C ATOM 672 CG LEU A 43 7.235 11.458 12.577 1.00 0.00 C ATOM 673 CD1 LEU A 43 6.336 12.657 12.257 1.00 0.00 C ATOM 674 CD2 LEU A 43 8.620 11.735 11.991 1.00 0.00 C ATOM 0 H LEU A 43 7.256 10.746 16.471 1.00 0.00 H new ATOM 0 HA LEU A 43 5.287 11.584 14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.744 12.099 14.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.086 10.409 14.257 1.00 0.00 H new ATOM 0 HG LEU A 43 6.790 10.565 12.139 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.285 12.795 11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.335 12.475 12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.748 13.554 12.719 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.532 11.916 10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.050 12.613 12.474 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.266 10.874 12.161 1.00 0.00 H new ATOM 686 N ALA A 44 5.963 8.346 14.537 1.00 0.00 N ATOM 687 CA ALA A 44 5.423 7.057 14.097 1.00 0.00 C ATOM 688 C ALA A 44 3.975 6.815 14.578 1.00 0.00 C ATOM 689 O ALA A 44 3.190 6.173 13.877 1.00 0.00 O ATOM 690 CB ALA A 44 6.361 5.942 14.573 1.00 0.00 C ATOM 0 H ALA A 44 6.777 8.263 15.147 1.00 0.00 H new ATOM 0 HA ALA A 44 5.372 7.062 13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.971 4.976 14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.352 6.093 14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.428 5.963 15.661 1.00 0.00 H new ATOM 696 N SER A 45 3.603 7.345 15.749 1.00 0.00 N ATOM 697 CA SER A 45 2.243 7.269 16.299 1.00 0.00 C ATOM 698 C SER A 45 1.276 8.261 15.630 1.00 0.00 C ATOM 699 O SER A 45 0.178 7.872 15.220 1.00 0.00 O ATOM 700 CB SER A 45 2.299 7.518 17.811 1.00 0.00 C ATOM 701 OG SER A 45 1.034 7.289 18.410 1.00 0.00 O ATOM 0 H SER A 45 4.252 7.849 16.354 1.00 0.00 H new ATOM 0 HA SER A 45 1.855 6.271 16.094 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.044 6.864 18.264 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.616 8.543 18.003 1.00 0.00 H new ATOM 0 HG SER A 45 1.094 7.452 19.374 1.00 0.00 H new ATOM 707 N SER A 46 1.673 9.531 15.464 1.00 0.00 N ATOM 708 CA SER A 46 0.825 10.584 14.874 1.00 0.00 C ATOM 709 C SER A 46 0.684 10.493 13.346 1.00 0.00 C ATOM 710 O SER A 46 -0.347 10.894 12.796 1.00 0.00 O ATOM 711 CB SER A 46 1.353 11.971 15.265 1.00 0.00 C ATOM 712 OG SER A 46 2.611 12.239 14.668 1.00 0.00 O ATOM 0 H SER A 46 2.599 9.862 15.737 1.00 0.00 H new ATOM 0 HA SER A 46 -0.173 10.426 15.283 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.636 12.733 14.960 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.444 12.034 16.349 1.00 0.00 H new ATOM 0 HG SER A 46 3.043 12.984 15.136 1.00 0.00 H new ATOM 718 N LYS A 47 1.690 9.932 12.660 1.00 0.00 N ATOM 719 CA LYS A 47 1.806 9.812 11.194 1.00 0.00 C ATOM 720 C LYS A 47 2.301 8.411 10.797 1.00 0.00 C ATOM 721 O LYS A 47 3.317 8.253 10.119 1.00 0.00 O ATOM 722 CB LYS A 47 2.702 10.950 10.646 1.00 0.00 C ATOM 723 CG LYS A 47 2.048 12.345 10.662 1.00 0.00 C ATOM 724 CD LYS A 47 0.931 12.533 9.615 1.00 0.00 C ATOM 725 CE LYS A 47 1.432 12.535 8.160 1.00 0.00 C ATOM 726 NZ LYS A 47 2.164 13.785 7.818 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.493 9.525 13.139 1.00 0.00 H new ATOM 0 HA LYS A 47 0.823 9.925 10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.620 10.987 11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.988 10.709 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.635 12.529 11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.819 13.097 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.197 11.736 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.416 13.473 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.087 11.678 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.584 12.417 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.482 13.741 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.533 14.602 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.989 13.886 8.443 1.00 0.00 H new ATOM 740 N GLY A 48 1.560 7.380 11.211 1.00 0.00 N ATOM 741 CA GLY A 48 1.819 5.952 10.938 1.00 0.00 C ATOM 742 C GLY A 48 1.612 5.493 9.481 1.00 0.00 C ATOM 743 O GLY A 48 1.146 4.373 9.248 1.00 0.00 O ATOM 0 H GLY A 48 0.721 7.518 11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.846 5.728 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.171 5.356 11.581 1.00 0.00 H new ATOM 747 N LYS A 49 1.908 6.356 8.500 1.00 0.00 N ATOM 748 CA LYS A 49 1.845 6.081 7.052 1.00 0.00 C ATOM 749 C LYS A 49 2.854 5.005 6.616 1.00 0.00 C ATOM 750 O LYS A 49 3.848 4.749 7.299 1.00 0.00 O ATOM 751 CB LYS A 49 2.084 7.401 6.287 1.00 0.00 C ATOM 752 CG LYS A 49 0.887 8.369 6.334 1.00 0.00 C ATOM 753 CD LYS A 49 -0.247 7.934 5.391 1.00 0.00 C ATOM 754 CE LYS A 49 -1.414 8.927 5.455 1.00 0.00 C ATOM 755 NZ LYS A 49 -2.485 8.573 4.486 1.00 0.00 N1+ ATOM 0 H LYS A 49 2.212 7.309 8.700 1.00 0.00 H new ATOM 0 HA LYS A 49 0.857 5.685 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.959 7.899 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.314 7.171 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.508 8.426 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.220 9.370 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.127 7.870 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.594 6.938 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.825 8.942 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.049 9.932 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.259 9.265 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.097 8.583 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.849 7.623 4.703 1.00 0.00 H new ATOM 769 N GLN A 50 2.604 4.399 5.453 1.00 0.00 N ATOM 770 CA GLN A 50 3.362 3.260 4.907 1.00 0.00 C ATOM 771 C GLN A 50 3.664 3.457 3.409 1.00 0.00 C ATOM 772 O GLN A 50 3.236 2.686 2.548 1.00 0.00 O ATOM 773 CB GLN A 50 2.629 1.936 5.197 1.00 0.00 C ATOM 774 CG GLN A 50 2.543 1.618 6.700 1.00 0.00 C ATOM 775 CD GLN A 50 1.943 0.240 6.986 1.00 0.00 C ATOM 776 OE1 GLN A 50 2.227 -0.757 6.332 1.00 0.00 O ATOM 777 NE2 GLN A 50 1.088 0.120 7.981 1.00 0.00 N ATOM 0 H GLN A 50 1.843 4.694 4.841 1.00 0.00 H new ATOM 0 HA GLN A 50 4.328 3.209 5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.622 1.985 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.144 1.122 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.541 1.671 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.940 2.380 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.837 0.936 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.677 -0.789 8.194 1.00 0.00 H new ATOM 786 N VAL A 51 4.394 4.533 3.091 1.00 0.00 N ATOM 787 CA VAL A 51 4.810 4.904 1.719 1.00 0.00 C ATOM 788 C VAL A 51 5.803 3.924 1.059 1.00 0.00 C ATOM 789 O VAL A 51 6.064 4.023 -0.142 1.00 0.00 O ATOM 790 CB VAL A 51 5.384 6.338 1.680 1.00 0.00 C ATOM 791 CG1 VAL A 51 4.330 7.380 2.076 1.00 0.00 C ATOM 792 CG2 VAL A 51 6.603 6.536 2.595 1.00 0.00 C ATOM 0 H VAL A 51 4.724 5.193 3.795 1.00 0.00 H new ATOM 0 HA VAL A 51 3.895 4.851 1.129 1.00 0.00 H new ATOM 0 HB VAL A 51 5.697 6.479 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.771 8.376 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.489 7.328 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.980 7.177 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.953 7.565 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.321 6.326 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.400 5.858 2.291 1.00 0.00 H new ATOM 802 N ARG A 52 6.366 2.976 1.824 1.00 0.00 N ATOM 803 CA ARG A 52 7.299 1.929 1.368 1.00 0.00 C ATOM 804 C ARG A 52 6.635 0.985 0.349 1.00 0.00 C ATOM 805 O ARG A 52 5.593 0.396 0.646 1.00 0.00 O ATOM 806 CB ARG A 52 7.794 1.165 2.612 1.00 0.00 C ATOM 807 CG ARG A 52 8.994 0.244 2.332 1.00 0.00 C ATOM 808 CD ARG A 52 9.404 -0.562 3.578 1.00 0.00 C ATOM 809 NE ARG A 52 9.823 0.304 4.704 1.00 0.00 N ATOM 810 CZ ARG A 52 10.070 -0.075 5.947 1.00 0.00 C ATOM 811 NH1 ARG A 52 10.019 -1.325 6.311 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 10.377 0.805 6.858 1.00 0.00 N ATOM 0 H ARG A 52 6.176 2.914 2.824 1.00 0.00 H new ATOM 0 HA ARG A 52 8.144 2.383 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.071 1.884 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.974 0.568 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.744 -0.442 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.839 0.843 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.567 -1.184 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.221 -1.235 3.318 1.00 0.00 H new ATOM 0 HE ARG A 52 9.933 1.297 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.783 -2.046 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.215 -1.583 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.428 1.794 6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.566 0.504 7.814 1.00 0.00 H new ATOM 826 N ASN A 53 7.237 0.819 -0.834 1.00 0.00 N ATOM 827 CA ASN A 53 6.700 -0.051 -1.894 1.00 0.00 C ATOM 828 C ASN A 53 7.069 -1.535 -1.674 1.00 0.00 C ATOM 829 O ASN A 53 6.178 -2.379 -1.559 1.00 0.00 O ATOM 830 CB ASN A 53 7.186 0.444 -3.273 1.00 0.00 C ATOM 831 CG ASN A 53 6.499 1.708 -3.776 1.00 0.00 C ATOM 832 OD1 ASN A 53 5.633 2.299 -3.147 1.00 0.00 O ATOM 833 ND2 ASN A 53 6.853 2.154 -4.961 1.00 0.00 N ATOM 0 H ASN A 53 8.110 1.282 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 53 5.612 0.007 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.259 0.627 -3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.034 -0.351 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.406 2.986 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.574 1.668 -5.494 1.00 0.00 H new ATOM 840 N PHE A 54 8.369 -1.854 -1.601 1.00 0.00 N ATOM 841 CA PHE A 54 8.909 -3.200 -1.340 1.00 0.00 C ATOM 842 C PHE A 54 10.369 -3.146 -0.841 1.00 0.00 C ATOM 843 O PHE A 54 11.046 -2.122 -0.984 1.00 0.00 O ATOM 844 CB PHE A 54 8.792 -4.083 -2.602 1.00 0.00 C ATOM 845 CG PHE A 54 9.639 -3.666 -3.794 1.00 0.00 C ATOM 846 CD1 PHE A 54 9.160 -2.706 -4.706 1.00 0.00 C ATOM 847 CD2 PHE A 54 10.894 -4.266 -4.016 1.00 0.00 C ATOM 848 CE1 PHE A 54 9.940 -2.331 -5.817 1.00 0.00 C ATOM 849 CE2 PHE A 54 11.671 -3.897 -5.129 1.00 0.00 C ATOM 850 CZ PHE A 54 11.196 -2.926 -6.028 1.00 0.00 C ATOM 0 H PHE A 54 9.103 -1.157 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 54 8.312 -3.647 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.060 -5.104 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.747 -4.100 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.190 -2.255 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.262 -5.013 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.573 -1.586 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.633 -4.360 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.795 -2.638 -6.879 1.00 0.00 H new ATOM 860 N SER A 55 10.847 -4.249 -0.247 1.00 0.00 N ATOM 861 CA SER A 55 12.209 -4.411 0.306 1.00 0.00 C ATOM 862 C SER A 55 13.304 -4.480 -0.769 1.00 0.00 C ATOM 863 O SER A 55 14.220 -3.625 -0.742 1.00 0.00 O ATOM 864 CB SER A 55 12.280 -5.665 1.183 1.00 0.00 C ATOM 865 OG SER A 55 11.355 -5.544 2.256 1.00 0.00 O ATOM 866 OXT SER A 55 13.270 -5.406 -1.612 1.00 0.00 O1- ATOM 0 H SER A 55 10.278 -5.087 -0.132 1.00 0.00 H new ATOM 0 HA SER A 55 12.401 -3.517 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.052 -6.550 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.290 -5.794 1.572 1.00 0.00 H new ATOM 0 HG SER A 55 11.398 -6.346 2.817 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.115 7.262 14.296 1.00 0.00 ZN