USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -150:sc= 2.45 (180deg=1.25) USER MOD Set 1.2: A 27 TYR OH : rot -7:sc= 2.28 USER MOD Set 2.1: A 13 TYR OH : rot -34:sc= 1.51 USER MOD Set 2.2: A 23 TYR OH : rot -15:sc= 1.07 USER MOD Set 3.1: A 12 LYS NZ :NH3+ -166:sc= 2.44 (180deg=1.83) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -144:sc= 1.2 (180deg=0.876) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.0327 K(o=1.3,f=-0.2) USER MOD Set 4.2: A 56 TYR OH : rot -167:sc= 1.26 USER MOD Set 4.3: A 60 GLN : amide:sc= 0 K(o=1.3,f=-0.31!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.68 (180deg=1.47) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 2.39 (180deg=2.14) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= 1.13 (180deg=-0.59!) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.944) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -108:sc= 1.22 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0.968) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.871 (180deg=0.846) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.13) USER MOD Single : A 59 ASN : amide:sc= 2.5 K(o=2.5,f=-8.3!) USER MOD Single : A 65 GLN : amide:sc= 1.29 K(o=1.3,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.334 -41.376 2.287 1.00 0.00 N ATOM 2 CA MET A 1 20.446 -41.533 3.223 1.00 0.00 C ATOM 3 C MET A 1 20.877 -43.002 3.437 1.00 0.00 C ATOM 4 O MET A 1 22.073 -43.296 3.501 1.00 0.00 O ATOM 5 CB MET A 1 20.087 -40.860 4.577 1.00 0.00 C ATOM 6 CG MET A 1 19.833 -39.328 4.532 1.00 0.00 C ATOM 7 SD MET A 1 21.239 -38.340 3.951 1.00 0.00 S ATOM 8 CE MET A 1 22.050 -37.936 5.519 1.00 0.00 C ATOM 0 H1 MET A 1 18.956 -40.410 2.356 1.00 0.00 H new ATOM 0 H2 MET A 1 19.669 -41.548 1.318 1.00 0.00 H new ATOM 0 H3 MET A 1 18.585 -42.059 2.520 1.00 0.00 H new ATOM 0 HA MET A 1 21.308 -41.037 2.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.195 -41.344 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.896 -41.053 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.979 -39.135 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.558 -38.990 5.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.935 -37.329 5.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.360 -37.379 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.344 -38.856 6.024 1.00 0.00 H new ATOM 20 N LEU A 2 19.922 -43.940 3.526 1.00 0.00 N ATOM 21 CA LEU A 2 20.200 -45.341 3.846 1.00 0.00 C ATOM 22 C LEU A 2 20.261 -46.252 2.596 1.00 0.00 C ATOM 23 O LEU A 2 19.255 -46.714 2.028 1.00 0.00 O ATOM 24 CB LEU A 2 19.174 -45.884 4.891 1.00 0.00 C ATOM 25 CG LEU A 2 19.339 -45.553 6.404 1.00 0.00 C ATOM 26 CD1 LEU A 2 20.671 -46.057 6.989 1.00 0.00 C ATOM 27 CD2 LEU A 2 19.146 -44.070 6.753 1.00 0.00 C ATOM 0 H LEU A 2 18.932 -43.743 3.377 1.00 0.00 H new ATOM 0 HA LEU A 2 21.197 -45.367 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 2 18.189 -45.529 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 2 19.164 -46.970 4.798 1.00 0.00 H new ATOM 0 HG LEU A 2 18.523 -46.102 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 2 20.726 -45.796 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 2 20.730 -47.140 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 2 21.501 -45.593 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 2 19.278 -43.928 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 2 19.880 -43.471 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.142 -43.757 6.467 1.00 0.00 H new ATOM 39 N GLN A 3 21.526 -46.519 2.229 1.00 0.00 N ATOM 40 CA GLN A 3 21.913 -47.492 1.201 1.00 0.00 C ATOM 41 C GLN A 3 21.260 -48.868 1.424 1.00 0.00 C ATOM 42 O GLN A 3 20.627 -49.402 0.510 1.00 0.00 O ATOM 43 CB GLN A 3 23.466 -47.653 1.161 1.00 0.00 C ATOM 44 CG GLN A 3 24.276 -46.516 0.462 1.00 0.00 C ATOM 45 CD GLN A 3 24.177 -45.146 1.138 1.00 0.00 C ATOM 46 OE1 GLN A 3 24.011 -44.133 0.470 1.00 0.00 O ATOM 47 NE2 GLN A 3 24.270 -45.010 2.448 1.00 0.00 N ATOM 0 H GLN A 3 22.327 -46.050 2.652 1.00 0.00 H new ATOM 0 HA GLN A 3 21.556 -47.103 0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 3 23.824 -47.744 2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 3 23.697 -48.592 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 3 25.325 -46.810 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 3 23.930 -46.423 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 3 24.408 -45.831 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 3 24.203 -44.084 2.871 1.00 0.00 H new ATOM 56 N LYS A 4 21.343 -49.393 2.658 1.00 0.00 N ATOM 57 CA LYS A 4 20.693 -50.648 3.039 1.00 0.00 C ATOM 58 C LYS A 4 19.152 -50.610 2.988 1.00 0.00 C ATOM 59 O LYS A 4 18.539 -51.674 3.096 1.00 0.00 O ATOM 60 CB LYS A 4 21.172 -51.154 4.429 1.00 0.00 C ATOM 61 CG LYS A 4 20.666 -50.367 5.673 1.00 0.00 C ATOM 62 CD LYS A 4 20.113 -51.284 6.804 1.00 0.00 C ATOM 63 CE LYS A 4 18.602 -51.623 6.762 1.00 0.00 C ATOM 64 NZ LYS A 4 18.263 -52.556 5.686 1.00 0.00 N ATOM 0 H LYS A 4 21.865 -48.955 3.417 1.00 0.00 H new ATOM 0 HA LYS A 4 21.008 -51.357 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.865 -52.194 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.262 -51.141 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.484 -49.766 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.884 -49.675 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.670 -52.220 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.326 -50.807 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.303 -52.053 7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.031 -50.704 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.385 -53.058 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.129 -52.029 4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.034 -53.244 5.567 1.00 0.00 H new ATOM 78 N LYS A 5 18.479 -49.451 2.911 1.00 0.00 N ATOM 79 CA LYS A 5 17.033 -49.390 2.688 1.00 0.00 C ATOM 80 C LYS A 5 16.651 -49.454 1.202 1.00 0.00 C ATOM 81 O LYS A 5 15.673 -50.145 0.886 1.00 0.00 O ATOM 82 CB LYS A 5 16.370 -48.238 3.492 1.00 0.00 C ATOM 83 CG LYS A 5 16.408 -48.559 5.026 1.00 0.00 C ATOM 84 CD LYS A 5 15.067 -48.833 5.778 1.00 0.00 C ATOM 85 CE LYS A 5 13.979 -49.647 5.068 1.00 0.00 C ATOM 86 NZ LYS A 5 14.481 -50.966 4.711 1.00 0.00 N ATOM 0 H LYS A 5 18.922 -48.537 3.001 1.00 0.00 H new ATOM 0 HA LYS A 5 16.601 -50.302 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.891 -47.301 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.339 -48.104 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.046 -49.432 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.899 -47.723 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.309 -49.345 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.636 -47.869 6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.109 -49.746 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.650 -49.122 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.244 -51.171 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.514 -50.989 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.044 -51.682 5.326 1.00 0.00 H new ATOM 100 N ILE A 6 17.409 -48.809 0.284 1.00 0.00 N ATOM 101 CA ILE A 6 17.266 -49.136 -1.155 1.00 0.00 C ATOM 102 C ILE A 6 17.640 -50.608 -1.389 1.00 0.00 C ATOM 103 O ILE A 6 16.831 -51.352 -1.944 1.00 0.00 O ATOM 104 CB ILE A 6 18.087 -48.278 -2.184 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.942 -46.762 -1.989 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.741 -48.626 -3.680 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.131 -46.169 -1.214 1.00 0.00 C ATOM 0 H ILE A 6 18.098 -48.089 0.500 1.00 0.00 H new ATOM 0 HA ILE A 6 16.220 -48.904 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 6 19.122 -48.550 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.864 -46.276 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.017 -46.551 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.338 -48.003 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.963 -49.676 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.682 -48.440 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.990 -45.094 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.194 -46.636 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.053 -46.356 -1.764 1.00 0.00 H new ATOM 119 N GLU A 7 18.830 -51.035 -0.931 1.00 0.00 N ATOM 120 CA GLU A 7 19.304 -52.408 -1.116 1.00 0.00 C ATOM 121 C GLU A 7 18.405 -53.464 -0.453 1.00 0.00 C ATOM 122 O GLU A 7 18.326 -54.550 -1.010 1.00 0.00 O ATOM 123 CB GLU A 7 20.772 -52.569 -0.652 1.00 0.00 C ATOM 124 CG GLU A 7 21.774 -51.742 -1.513 1.00 0.00 C ATOM 125 CD GLU A 7 23.202 -51.815 -0.973 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.536 -51.034 -0.083 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.968 -52.643 -1.459 1.00 0.00 O ATOM 0 H GLU A 7 19.484 -50.437 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 7 19.254 -52.592 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.854 -52.260 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.048 -53.623 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.757 -52.109 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.452 -50.701 -1.542 1.00 0.00 H new ATOM 134 N GLU A 8 17.718 -53.228 0.677 1.00 0.00 N ATOM 135 CA GLU A 8 16.718 -54.166 1.202 1.00 0.00 C ATOM 136 C GLU A 8 15.434 -54.215 0.353 1.00 0.00 C ATOM 137 O GLU A 8 15.095 -55.298 -0.129 1.00 0.00 O ATOM 138 CB GLU A 8 16.370 -53.758 2.643 1.00 0.00 C ATOM 139 CG GLU A 8 15.726 -54.870 3.515 1.00 0.00 C ATOM 140 CD GLU A 8 15.061 -54.288 4.766 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.723 -53.555 5.514 1.00 0.00 O ATOM 142 OE2 GLU A 8 13.867 -54.540 4.951 1.00 0.00 O ATOM 0 H GLU A 8 17.840 -52.390 1.246 1.00 0.00 H new ATOM 0 HA GLU A 8 17.152 -55.165 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.280 -53.416 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.688 -52.908 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.985 -55.412 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.489 -55.591 3.809 1.00 0.00 H new ATOM 149 N GLU A 9 14.719 -53.094 0.134 1.00 0.00 N ATOM 150 CA GLU A 9 13.457 -53.096 -0.623 1.00 0.00 C ATOM 151 C GLU A 9 13.651 -53.458 -2.104 1.00 0.00 C ATOM 152 O GLU A 9 12.905 -54.288 -2.624 1.00 0.00 O ATOM 153 CB GLU A 9 12.719 -51.748 -0.400 1.00 0.00 C ATOM 154 CG GLU A 9 11.672 -51.778 0.773 1.00 0.00 C ATOM 155 CD GLU A 9 12.192 -52.199 2.157 1.00 0.00 C ATOM 156 OE1 GLU A 9 13.276 -51.806 2.591 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.479 -52.927 2.857 1.00 0.00 O ATOM 0 H GLU A 9 14.998 -52.173 0.473 1.00 0.00 H new ATOM 0 HA GLU A 9 12.819 -53.892 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.456 -50.972 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.209 -51.468 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.234 -50.784 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.867 -52.457 0.492 1.00 0.00 H new ATOM 164 N ALA A 10 14.623 -52.858 -2.796 1.00 0.00 N ATOM 165 CA ALA A 10 15.081 -53.356 -4.098 1.00 0.00 C ATOM 166 C ALA A 10 15.948 -54.647 -4.099 1.00 0.00 C ATOM 167 O ALA A 10 16.377 -55.043 -5.185 1.00 0.00 O ATOM 168 CB ALA A 10 15.732 -52.176 -4.849 1.00 0.00 C ATOM 0 H ALA A 10 15.111 -52.022 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 10 14.199 -53.718 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.084 -52.515 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.998 -51.381 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.575 -51.797 -4.271 1.00 0.00 H new ATOM 174 N ALA A 11 16.312 -55.336 -3.001 1.00 0.00 N ATOM 175 CA ALA A 11 16.565 -56.788 -3.054 1.00 0.00 C ATOM 176 C ALA A 11 15.272 -57.620 -3.048 1.00 0.00 C ATOM 177 O ALA A 11 15.114 -58.530 -3.867 1.00 0.00 O ATOM 178 CB ALA A 11 17.473 -57.267 -1.905 1.00 0.00 C ATOM 0 H ALA A 11 16.436 -54.918 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 11 17.076 -56.948 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.629 -58.343 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.434 -56.755 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.000 -57.042 -0.949 1.00 0.00 H new ATOM 184 N LYS A 12 14.331 -57.313 -2.142 1.00 0.00 N ATOM 185 CA LYS A 12 13.077 -58.057 -1.981 1.00 0.00 C ATOM 186 C LYS A 12 12.071 -57.782 -3.128 1.00 0.00 C ATOM 187 O LYS A 12 10.956 -57.291 -2.935 1.00 0.00 O ATOM 188 CB LYS A 12 12.435 -57.722 -0.609 1.00 0.00 C ATOM 189 CG LYS A 12 13.292 -57.990 0.658 1.00 0.00 C ATOM 190 CD LYS A 12 12.617 -57.537 1.990 1.00 0.00 C ATOM 191 CE LYS A 12 12.244 -56.053 1.961 1.00 0.00 C ATOM 192 NZ LYS A 12 11.907 -55.533 3.280 1.00 0.00 N ATOM 0 H LYS A 12 14.423 -56.531 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 12 13.322 -59.118 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.159 -56.668 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.511 -58.293 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.510 -59.056 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.247 -57.475 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.722 -58.134 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.294 -57.726 2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.076 -55.481 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.397 -55.908 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.440 -54.609 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.265 -56.195 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.775 -55.423 3.842 1.00 0.00 H new ATOM 206 N TYR A 13 12.481 -58.160 -4.346 1.00 0.00 N ATOM 207 CA TYR A 13 11.664 -58.123 -5.568 1.00 0.00 C ATOM 208 C TYR A 13 10.352 -58.945 -5.512 1.00 0.00 C ATOM 209 O TYR A 13 9.497 -58.818 -6.389 1.00 0.00 O ATOM 210 CB TYR A 13 12.567 -58.553 -6.765 1.00 0.00 C ATOM 211 CG TYR A 13 13.217 -57.366 -7.510 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.812 -56.274 -6.883 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.226 -57.361 -8.897 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.374 -55.242 -7.613 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.784 -56.330 -9.628 1.00 0.00 C ATOM 216 CZ TYR A 13 14.355 -55.265 -8.983 1.00 0.00 C ATOM 217 OH TYR A 13 14.876 -54.239 -9.706 1.00 0.00 O ATOM 0 H TYR A 13 13.423 -58.512 -4.514 1.00 0.00 H new ATOM 0 HA TYR A 13 11.310 -57.099 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.352 -59.214 -6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.969 -59.130 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.835 -56.232 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.781 -58.192 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.832 -54.410 -7.098 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.770 -56.364 -10.707 1.00 0.00 H new ATOM 0 HH TYR A 13 14.733 -53.396 -9.228 1.00 0.00 H new ATOM 227 N LYS A 14 10.194 -59.797 -4.488 1.00 0.00 N ATOM 228 CA LYS A 14 8.909 -60.366 -4.066 1.00 0.00 C ATOM 229 C LYS A 14 7.900 -59.288 -3.608 1.00 0.00 C ATOM 230 O LYS A 14 6.704 -59.397 -3.888 1.00 0.00 O ATOM 231 CB LYS A 14 9.155 -61.374 -2.914 1.00 0.00 C ATOM 232 CG LYS A 14 10.014 -62.587 -3.334 1.00 0.00 C ATOM 233 CD LYS A 14 10.256 -63.535 -2.140 1.00 0.00 C ATOM 234 CE LYS A 14 11.177 -64.717 -2.463 1.00 0.00 C ATOM 235 NZ LYS A 14 10.498 -65.630 -3.373 1.00 0.00 N ATOM 0 H LYS A 14 10.977 -60.116 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 14 8.470 -60.866 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.646 -60.859 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.195 -61.730 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.516 -63.129 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.970 -62.241 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.688 -62.965 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.297 -63.919 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.102 -64.358 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.452 -65.238 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.103 -66.457 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.602 -65.942 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.303 -65.144 -4.271 1.00 0.00 H new ATOM 249 N TYR A 15 8.357 -58.221 -2.932 1.00 0.00 N ATOM 250 CA TYR A 15 7.513 -57.081 -2.562 1.00 0.00 C ATOM 251 C TYR A 15 7.535 -56.022 -3.685 1.00 0.00 C ATOM 252 O TYR A 15 8.038 -54.893 -3.585 1.00 0.00 O ATOM 253 CB TYR A 15 7.940 -56.524 -1.182 1.00 0.00 C ATOM 254 CG TYR A 15 7.578 -57.513 -0.063 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.259 -57.752 0.285 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.552 -58.206 0.633 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.927 -58.644 1.286 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.232 -59.101 1.635 1.00 0.00 C ATOM 259 CZ TYR A 15 6.914 -59.318 1.958 1.00 0.00 C ATOM 260 OH TYR A 15 6.573 -60.192 2.939 1.00 0.00 O ATOM 0 H TYR A 15 9.326 -58.128 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 15 6.477 -57.402 -2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.014 -56.337 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.449 -55.568 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.472 -57.229 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.591 -58.043 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.890 -58.810 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.014 -59.628 2.162 1.00 0.00 H new ATOM 0 HH TYR A 15 7.384 -60.590 3.319 1.00 0.00 H new ATOM 270 N ALA A 16 6.876 -56.489 -4.754 1.00 0.00 N ATOM 271 CA ALA A 16 6.891 -55.894 -6.087 1.00 0.00 C ATOM 272 C ALA A 16 6.467 -54.416 -6.140 1.00 0.00 C ATOM 273 O ALA A 16 7.163 -53.605 -6.761 1.00 0.00 O ATOM 274 CB ALA A 16 5.997 -56.764 -6.996 1.00 0.00 C ATOM 0 H ALA A 16 6.296 -57.326 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 16 7.924 -55.881 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.986 -56.346 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.391 -57.780 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.982 -56.781 -6.599 1.00 0.00 H new ATOM 280 N MET A 17 5.365 -54.079 -5.462 1.00 0.00 N ATOM 281 CA MET A 17 4.854 -52.714 -5.352 1.00 0.00 C ATOM 282 C MET A 17 5.729 -51.796 -4.474 1.00 0.00 C ATOM 283 O MET A 17 5.793 -50.595 -4.737 1.00 0.00 O ATOM 284 CB MET A 17 3.364 -52.717 -4.889 1.00 0.00 C ATOM 285 CG MET A 17 3.031 -53.176 -3.438 1.00 0.00 C ATOM 286 SD MET A 17 3.268 -54.937 -3.073 1.00 0.00 S ATOM 287 CE MET A 17 1.613 -55.581 -3.428 1.00 0.00 C ATOM 0 H MET A 17 4.794 -54.763 -4.965 1.00 0.00 H new ATOM 0 HA MET A 17 4.902 -52.283 -6.352 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.978 -51.705 -5.012 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.807 -53.356 -5.574 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.646 -52.599 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.992 -52.921 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.595 -56.656 -3.251 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.886 -55.094 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.360 -55.381 -4.469 1.00 0.00 H new ATOM 297 N LEU A 18 6.447 -52.325 -3.471 1.00 0.00 N ATOM 298 CA LEU A 18 7.275 -51.521 -2.567 1.00 0.00 C ATOM 299 C LEU A 18 8.648 -51.184 -3.161 1.00 0.00 C ATOM 300 O LEU A 18 9.127 -50.056 -3.001 1.00 0.00 O ATOM 301 CB LEU A 18 7.403 -52.209 -1.183 1.00 0.00 C ATOM 302 CG LEU A 18 6.053 -52.456 -0.465 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.291 -53.142 0.886 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.261 -51.153 -0.250 1.00 0.00 C ATOM 0 H LEU A 18 6.468 -53.324 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 18 6.765 -50.568 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.913 -53.164 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.035 -51.594 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 18 5.459 -53.103 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.335 -53.311 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.790 -54.098 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.917 -52.506 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.322 -51.377 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.848 -50.467 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.051 -50.691 -1.215 1.00 0.00 H new ATOM 316 N LYS A 19 9.298 -52.128 -3.853 1.00 0.00 N ATOM 317 CA LYS A 19 10.418 -51.756 -4.719 1.00 0.00 C ATOM 318 C LYS A 19 9.971 -50.936 -5.952 1.00 0.00 C ATOM 319 O LYS A 19 10.743 -50.098 -6.412 1.00 0.00 O ATOM 320 CB LYS A 19 11.223 -53.014 -5.142 1.00 0.00 C ATOM 321 CG LYS A 19 10.492 -54.036 -6.053 1.00 0.00 C ATOM 322 CD LYS A 19 10.837 -53.887 -7.556 1.00 0.00 C ATOM 323 CE LYS A 19 10.040 -54.827 -8.461 1.00 0.00 C ATOM 324 NZ LYS A 19 8.754 -54.208 -8.751 1.00 0.00 N ATOM 0 H LYS A 19 9.076 -53.123 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 19 11.070 -51.105 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.125 -52.683 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.544 -53.532 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.746 -55.045 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.416 -53.921 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.653 -52.857 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.901 -54.076 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.586 -55.017 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.895 -55.791 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.071 -54.941 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.406 -53.716 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.865 -53.524 -9.527 1.00 0.00 H new ATOM 338 N LYS A 20 8.772 -51.123 -6.536 1.00 0.00 N ATOM 339 CA LYS A 20 8.254 -50.195 -7.551 1.00 0.00 C ATOM 340 C LYS A 20 7.931 -48.801 -6.962 1.00 0.00 C ATOM 341 O LYS A 20 7.955 -47.823 -7.718 1.00 0.00 O ATOM 342 CB LYS A 20 7.014 -50.800 -8.271 1.00 0.00 C ATOM 343 CG LYS A 20 7.166 -51.008 -9.807 1.00 0.00 C ATOM 344 CD LYS A 20 7.247 -49.736 -10.693 1.00 0.00 C ATOM 345 CE LYS A 20 6.004 -48.840 -10.597 1.00 0.00 C ATOM 346 NZ LYS A 20 6.395 -47.600 -9.940 1.00 0.00 N ATOM 0 H LYS A 20 8.150 -51.903 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 20 9.044 -50.051 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.783 -51.762 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.159 -50.148 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.066 -51.598 -9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.322 -51.606 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.125 -49.158 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.390 -50.035 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.603 -48.636 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.217 -49.339 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.584 -47.214 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.176 -47.788 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.704 -46.911 -10.655 1.00 0.00 H new ATOM 360 N CYS A 21 7.600 -48.684 -5.661 1.00 0.00 N ATOM 361 CA CYS A 21 7.591 -47.408 -4.934 1.00 0.00 C ATOM 362 C CYS A 21 8.999 -46.784 -4.751 1.00 0.00 C ATOM 363 O CYS A 21 9.133 -45.561 -4.870 1.00 0.00 O ATOM 364 CB CYS A 21 6.889 -47.641 -3.585 1.00 0.00 C ATOM 365 SG CYS A 21 6.357 -46.124 -2.761 1.00 0.00 S ATOM 0 H CYS A 21 7.330 -49.481 -5.085 1.00 0.00 H new ATOM 0 HA CYS A 21 7.047 -46.674 -5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.020 -48.279 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.565 -48.183 -2.924 1.00 0.00 H new ATOM 370 N CYS A 22 10.055 -47.588 -4.485 1.00 0.00 N ATOM 371 CA CYS A 22 11.460 -47.190 -4.731 1.00 0.00 C ATOM 372 C CYS A 22 11.618 -46.598 -6.119 1.00 0.00 C ATOM 373 O CYS A 22 12.100 -45.479 -6.277 1.00 0.00 O ATOM 374 CB CYS A 22 12.468 -48.332 -4.433 1.00 0.00 C ATOM 375 SG CYS A 22 14.056 -47.783 -3.737 1.00 0.00 S ATOM 0 H CYS A 22 9.957 -48.526 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 22 11.710 -46.404 -4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.006 -49.034 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.661 -48.878 -5.357 1.00 0.00 H new ATOM 380 N TYR A 23 11.153 -47.310 -7.124 1.00 0.00 N ATOM 381 CA TYR A 23 11.336 -46.847 -8.481 1.00 0.00 C ATOM 382 C TYR A 23 10.437 -45.640 -8.851 1.00 0.00 C ATOM 383 O TYR A 23 10.865 -44.819 -9.663 1.00 0.00 O ATOM 384 CB TYR A 23 11.378 -48.087 -9.357 1.00 0.00 C ATOM 385 CG TYR A 23 12.450 -49.123 -8.891 1.00 0.00 C ATOM 386 CD1 TYR A 23 13.447 -48.970 -7.888 1.00 0.00 C ATOM 387 CD2 TYR A 23 12.470 -50.302 -9.613 1.00 0.00 C ATOM 388 CE1 TYR A 23 14.410 -49.951 -7.717 1.00 0.00 C ATOM 389 CE2 TYR A 23 13.426 -51.275 -9.425 1.00 0.00 C ATOM 390 CZ TYR A 23 14.402 -51.095 -8.484 1.00 0.00 C ATOM 391 OH TYR A 23 15.349 -52.062 -8.329 1.00 0.00 O ATOM 0 H TYR A 23 10.655 -48.195 -7.030 1.00 0.00 H new ATOM 0 HA TYR A 23 12.288 -46.345 -8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.396 -48.561 -9.355 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.587 -47.793 -10.385 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.453 -48.091 -7.261 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.703 -50.467 -10.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.179 -49.817 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.405 -52.177 -10.019 1.00 0.00 H new ATOM 0 HH TYR A 23 16.100 -51.704 -7.811 1.00 0.00 H new ATOM 401 N ASP A 24 9.258 -45.455 -8.212 1.00 0.00 N ATOM 402 CA ASP A 24 8.561 -44.154 -8.140 1.00 0.00 C ATOM 403 C ASP A 24 9.404 -43.020 -7.539 1.00 0.00 C ATOM 404 O ASP A 24 9.257 -41.880 -7.983 1.00 0.00 O ATOM 405 CB ASP A 24 7.191 -44.205 -7.399 1.00 0.00 C ATOM 406 CG ASP A 24 6.115 -44.911 -8.216 1.00 0.00 C ATOM 407 OD1 ASP A 24 5.864 -44.508 -9.355 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.540 -45.881 -7.732 1.00 0.00 O ATOM 0 H ASP A 24 8.764 -46.207 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 24 8.379 -43.930 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.315 -44.719 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.865 -43.190 -7.174 1.00 0.00 H new ATOM 413 N GLY A 25 10.227 -43.294 -6.519 1.00 0.00 N ATOM 414 CA GLY A 25 11.277 -42.370 -6.065 1.00 0.00 C ATOM 415 C GLY A 25 12.408 -42.145 -7.078 1.00 0.00 C ATOM 416 O GLY A 25 12.815 -41.001 -7.283 1.00 0.00 O ATOM 0 H GLY A 25 10.185 -44.162 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.820 -41.409 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.706 -42.754 -5.140 1.00 0.00 H new ATOM 420 N ALA A 26 12.904 -43.226 -7.699 1.00 0.00 N ATOM 421 CA ALA A 26 14.015 -43.195 -8.655 1.00 0.00 C ATOM 422 C ALA A 26 13.740 -42.458 -9.982 1.00 0.00 C ATOM 423 O ALA A 26 14.597 -41.653 -10.360 1.00 0.00 O ATOM 424 CB ALA A 26 14.523 -44.620 -8.938 1.00 0.00 C ATOM 0 H ALA A 26 12.534 -44.164 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 26 14.782 -42.601 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.348 -44.578 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.868 -45.074 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.714 -45.219 -9.356 1.00 0.00 H new ATOM 430 N TYR A 27 12.634 -42.643 -10.733 1.00 0.00 N ATOM 431 CA TYR A 27 12.403 -41.854 -11.962 1.00 0.00 C ATOM 432 C TYR A 27 11.909 -40.403 -11.712 1.00 0.00 C ATOM 433 O TYR A 27 10.858 -39.949 -12.175 1.00 0.00 O ATOM 434 CB TYR A 27 11.650 -42.624 -13.106 1.00 0.00 C ATOM 435 CG TYR A 27 10.404 -43.421 -12.681 1.00 0.00 C ATOM 436 CD1 TYR A 27 9.279 -42.813 -12.150 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.365 -44.800 -12.828 1.00 0.00 C ATOM 438 CE1 TYR A 27 8.173 -43.547 -11.769 1.00 0.00 C ATOM 439 CE2 TYR A 27 9.263 -45.543 -12.448 1.00 0.00 C ATOM 440 CZ TYR A 27 8.172 -44.916 -11.905 1.00 0.00 C ATOM 441 OH TYR A 27 7.138 -45.656 -11.419 1.00 0.00 O ATOM 0 H TYR A 27 11.900 -43.318 -10.516 1.00 0.00 H new ATOM 0 HA TYR A 27 13.403 -41.715 -12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.352 -41.902 -13.867 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.353 -43.312 -13.577 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.266 -41.740 -12.031 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.219 -45.307 -13.251 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.307 -43.045 -11.363 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.262 -46.615 -12.579 1.00 0.00 H new ATOM 0 HH TYR A 27 6.536 -45.079 -10.904 1.00 0.00 H new ATOM 451 N ARG A 28 12.757 -39.659 -10.990 1.00 0.00 N ATOM 452 CA ARG A 28 12.547 -38.253 -10.652 1.00 0.00 C ATOM 453 C ARG A 28 13.258 -37.337 -11.669 1.00 0.00 C ATOM 454 O ARG A 28 14.474 -37.430 -11.868 1.00 0.00 O ATOM 455 CB ARG A 28 13.117 -38.018 -9.233 1.00 0.00 C ATOM 456 CG ARG A 28 12.612 -36.733 -8.534 1.00 0.00 C ATOM 457 CD ARG A 28 11.424 -36.911 -7.575 1.00 0.00 C ATOM 458 NE ARG A 28 10.210 -37.304 -8.290 1.00 0.00 N ATOM 459 CZ ARG A 28 9.674 -38.489 -8.312 1.00 0.00 C ATOM 460 NH1 ARG A 28 10.220 -39.538 -7.835 1.00 0.00 N ATOM 461 NH2 ARG A 28 8.562 -38.607 -8.915 1.00 0.00 N ATOM 0 H ARG A 28 13.630 -40.032 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 28 11.483 -38.016 -10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.866 -38.876 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.204 -37.977 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.441 -36.296 -7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.329 -36.013 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.668 -37.667 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.246 -35.979 -7.039 1.00 0.00 H new ATOM 0 HE ARG A 28 9.736 -36.576 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.140 -39.481 -7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.736 -40.434 -7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.131 -37.793 -9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.100 -39.515 -8.961 1.00 0.00 H new ATOM 475 N ASN A 29 12.517 -36.434 -12.322 1.00 0.00 N ATOM 476 CA ASN A 29 13.053 -35.611 -13.409 1.00 0.00 C ATOM 477 C ASN A 29 13.118 -34.118 -12.994 1.00 0.00 C ATOM 478 O ASN A 29 13.740 -33.797 -11.976 1.00 0.00 O ATOM 479 CB ASN A 29 12.177 -35.889 -14.673 1.00 0.00 C ATOM 480 CG ASN A 29 12.265 -37.346 -15.127 1.00 0.00 C ATOM 481 OD1 ASN A 29 13.077 -37.693 -15.972 1.00 0.00 O ATOM 482 ND2 ASN A 29 11.446 -38.257 -14.631 1.00 0.00 N ATOM 0 H ASN A 29 11.535 -36.255 -12.112 1.00 0.00 H new ATOM 0 HA ASN A 29 14.085 -35.871 -13.643 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.138 -35.640 -14.455 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.497 -35.237 -15.486 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.501 -39.223 -14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.759 -37.994 -13.925 1.00 0.00 H new ATOM 489 N ASP A 30 12.516 -33.174 -13.739 1.00 0.00 N ATOM 490 CA ASP A 30 12.368 -31.763 -13.355 1.00 0.00 C ATOM 491 C ASP A 30 11.419 -31.500 -12.160 1.00 0.00 C ATOM 492 O ASP A 30 11.421 -30.406 -11.595 1.00 0.00 O ATOM 493 CB ASP A 30 11.909 -30.961 -14.614 1.00 0.00 C ATOM 494 CG ASP A 30 10.615 -31.508 -15.220 1.00 0.00 C ATOM 495 OD1 ASP A 30 10.663 -32.589 -15.807 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.584 -30.859 -15.081 1.00 0.00 O ATOM 0 H ASP A 30 12.108 -33.380 -14.651 1.00 0.00 H new ATOM 0 HA ASP A 30 13.342 -31.429 -12.998 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.765 -29.915 -14.342 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.698 -30.989 -15.366 1.00 0.00 H new ATOM 501 N ASP A 31 10.604 -32.496 -11.785 1.00 0.00 N ATOM 502 CA ASP A 31 9.640 -32.413 -10.692 1.00 0.00 C ATOM 503 C ASP A 31 10.329 -32.316 -9.307 1.00 0.00 C ATOM 504 O ASP A 31 11.126 -33.165 -8.907 1.00 0.00 O ATOM 505 CB ASP A 31 8.627 -33.592 -10.841 1.00 0.00 C ATOM 506 CG ASP A 31 9.247 -34.989 -10.793 1.00 0.00 C ATOM 507 OD1 ASP A 31 10.080 -35.321 -11.637 1.00 0.00 O ATOM 508 OD2 ASP A 31 8.850 -35.759 -9.919 1.00 0.00 O ATOM 0 H ASP A 31 10.601 -33.404 -12.250 1.00 0.00 H new ATOM 0 HA ASP A 31 9.074 -31.483 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.883 -33.514 -10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.098 -33.479 -11.787 1.00 0.00 H new ATOM 513 N GLU A 32 9.982 -31.243 -8.592 1.00 0.00 N ATOM 514 CA GLU A 32 10.805 -30.616 -7.546 1.00 0.00 C ATOM 515 C GLU A 32 11.186 -31.489 -6.327 1.00 0.00 C ATOM 516 O GLU A 32 12.306 -32.010 -6.301 1.00 0.00 O ATOM 517 CB GLU A 32 10.158 -29.270 -7.079 1.00 0.00 C ATOM 518 CG GLU A 32 9.716 -28.286 -8.221 1.00 0.00 C ATOM 519 CD GLU A 32 8.271 -28.526 -8.676 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.026 -29.484 -9.414 1.00 0.00 O ATOM 521 OE2 GLU A 32 7.394 -27.787 -8.240 1.00 0.00 O ATOM 0 H GLU A 32 9.090 -30.768 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 32 11.761 -30.445 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.285 -29.502 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.869 -28.752 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.817 -27.259 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.386 -28.400 -9.074 1.00 0.00 H new ATOM 528 N THR A 33 10.327 -31.682 -5.311 1.00 0.00 N ATOM 529 CA THR A 33 10.731 -32.342 -4.057 1.00 0.00 C ATOM 530 C THR A 33 9.834 -33.530 -3.661 1.00 0.00 C ATOM 531 O THR A 33 8.602 -33.520 -3.789 1.00 0.00 O ATOM 532 CB THR A 33 10.921 -31.342 -2.886 1.00 0.00 C ATOM 533 OG1 THR A 33 11.493 -32.052 -1.797 1.00 0.00 O ATOM 534 CG2 THR A 33 9.659 -30.649 -2.373 1.00 0.00 C ATOM 0 H THR A 33 9.350 -31.391 -5.333 1.00 0.00 H new ATOM 0 HA THR A 33 11.710 -32.770 -4.271 1.00 0.00 H new ATOM 0 HB THR A 33 11.549 -30.546 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.819 -32.175 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.920 -29.976 -1.556 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.203 -30.078 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.953 -31.398 -2.014 1.00 0.00 H new ATOM 542 N CYS A 34 10.508 -34.559 -3.143 1.00 0.00 N ATOM 543 CA CYS A 34 9.967 -35.911 -3.003 1.00 0.00 C ATOM 544 C CYS A 34 8.863 -36.082 -1.955 1.00 0.00 C ATOM 545 O CYS A 34 7.827 -36.642 -2.294 1.00 0.00 O ATOM 546 CB CYS A 34 11.103 -36.901 -2.728 1.00 0.00 C ATOM 547 SG CYS A 34 12.319 -36.964 -4.066 1.00 0.00 S ATOM 0 H CYS A 34 11.465 -34.473 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 34 9.482 -36.117 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.604 -36.623 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.683 -37.896 -2.578 1.00 0.00 H new ATOM 552 N GLU A 35 9.043 -35.632 -0.707 1.00 0.00 N ATOM 553 CA GLU A 35 8.045 -35.788 0.365 1.00 0.00 C ATOM 554 C GLU A 35 6.716 -35.034 0.139 1.00 0.00 C ATOM 555 O GLU A 35 5.729 -35.344 0.800 1.00 0.00 O ATOM 556 CB GLU A 35 8.639 -35.485 1.779 1.00 0.00 C ATOM 557 CG GLU A 35 9.128 -34.023 2.082 1.00 0.00 C ATOM 558 CD GLU A 35 10.328 -33.600 1.233 1.00 0.00 C ATOM 559 OE1 GLU A 35 11.335 -34.317 1.213 1.00 0.00 O ATOM 560 OE2 GLU A 35 10.221 -32.596 0.530 1.00 0.00 O ATOM 0 H GLU A 35 9.889 -35.146 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 35 7.781 -36.845 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.882 -35.743 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.482 -36.157 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.306 -33.329 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.393 -33.947 3.137 1.00 0.00 H new ATOM 567 N GLU A 36 6.652 -34.058 -0.775 1.00 0.00 N ATOM 568 CA GLU A 36 5.397 -33.459 -1.246 1.00 0.00 C ATOM 569 C GLU A 36 4.632 -34.421 -2.190 1.00 0.00 C ATOM 570 O GLU A 36 3.470 -34.788 -1.959 1.00 0.00 O ATOM 571 CB GLU A 36 5.797 -32.114 -1.908 1.00 0.00 C ATOM 572 CG GLU A 36 4.642 -31.267 -2.523 1.00 0.00 C ATOM 573 CD GLU A 36 5.145 -29.927 -3.076 1.00 0.00 C ATOM 574 OE1 GLU A 36 5.973 -29.925 -3.994 1.00 0.00 O ATOM 575 OE2 GLU A 36 4.705 -28.896 -2.579 1.00 0.00 O ATOM 0 H GLU A 36 7.481 -33.657 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 36 4.694 -33.275 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.305 -31.505 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.522 -32.324 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.163 -31.833 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.882 -31.084 -1.763 1.00 0.00 H new ATOM 582 N ARG A 37 5.340 -34.883 -3.232 1.00 0.00 N ATOM 583 CA ARG A 37 4.863 -35.914 -4.158 1.00 0.00 C ATOM 584 C ARG A 37 4.541 -37.240 -3.444 1.00 0.00 C ATOM 585 O ARG A 37 3.535 -37.871 -3.764 1.00 0.00 O ATOM 586 CB ARG A 37 5.925 -36.096 -5.280 1.00 0.00 C ATOM 587 CG ARG A 37 5.934 -34.869 -6.225 1.00 0.00 C ATOM 588 CD ARG A 37 7.331 -34.423 -6.707 1.00 0.00 C ATOM 589 NE ARG A 37 7.186 -33.072 -7.268 1.00 0.00 N ATOM 590 CZ ARG A 37 6.989 -31.985 -6.571 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.179 -31.883 -5.311 1.00 0.00 N ATOM 592 NH2 ARG A 37 6.615 -30.922 -7.161 1.00 0.00 N ATOM 0 H ARG A 37 6.275 -34.543 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 37 3.920 -35.590 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.912 -36.228 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.709 -37.000 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.322 -35.098 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.459 -34.032 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.041 -34.422 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.717 -35.112 -7.458 1.00 0.00 H new ATOM 0 HE ARG A 37 7.244 -32.976 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.508 -32.688 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.002 -30.997 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.471 -30.923 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.459 -30.069 -6.624 1.00 0.00 H new ATOM 606 N ALA A 38 5.355 -37.675 -2.477 1.00 0.00 N ATOM 607 CA ALA A 38 5.063 -38.821 -1.621 1.00 0.00 C ATOM 608 C ALA A 38 4.334 -38.517 -0.287 1.00 0.00 C ATOM 609 O ALA A 38 4.205 -39.396 0.566 1.00 0.00 O ATOM 610 CB ALA A 38 6.333 -39.666 -1.506 1.00 0.00 C ATOM 0 H ALA A 38 6.249 -37.231 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 38 4.287 -39.415 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.139 -40.530 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.635 -40.006 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.131 -39.066 -1.069 1.00 0.00 H new ATOM 616 N ALA A 39 3.869 -37.287 -0.026 1.00 0.00 N ATOM 617 CA ALA A 39 2.633 -37.072 0.736 1.00 0.00 C ATOM 618 C ALA A 39 1.379 -37.456 -0.076 1.00 0.00 C ATOM 619 O ALA A 39 0.367 -37.864 0.502 1.00 0.00 O ATOM 620 CB ALA A 39 2.547 -35.606 1.205 1.00 0.00 C ATOM 0 H ALA A 39 4.329 -36.429 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 39 2.664 -37.725 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.626 -35.458 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.403 -35.376 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.551 -34.946 0.338 1.00 0.00 H new ATOM 626 N ARG A 40 1.415 -37.268 -1.405 1.00 0.00 N ATOM 627 CA ARG A 40 0.421 -37.855 -2.320 1.00 0.00 C ATOM 628 C ARG A 40 0.557 -39.396 -2.484 1.00 0.00 C ATOM 629 O ARG A 40 -0.457 -40.095 -2.422 1.00 0.00 O ATOM 630 CB ARG A 40 0.524 -37.085 -3.660 1.00 0.00 C ATOM 631 CG ARG A 40 -0.400 -37.560 -4.809 1.00 0.00 C ATOM 632 CD ARG A 40 -0.059 -36.873 -6.141 1.00 0.00 C ATOM 633 NE ARG A 40 1.288 -37.287 -6.543 1.00 0.00 N ATOM 634 CZ ARG A 40 1.908 -36.938 -7.633 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.417 -36.165 -8.527 1.00 0.00 N ATOM 636 NH2 ARG A 40 3.081 -37.399 -7.821 1.00 0.00 N ATOM 0 H ARG A 40 2.128 -36.709 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.578 -37.741 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.312 -36.034 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.556 -37.143 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.310 -38.640 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.438 -37.353 -4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.785 -37.148 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.106 -35.789 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 40 1.788 -37.909 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.480 -35.779 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.963 -35.935 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.502 -38.019 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.599 -37.148 -8.663 1.00 0.00 H new ATOM 650 N ILE A 41 1.746 -39.969 -2.757 1.00 0.00 N ATOM 651 CA ILE A 41 2.039 -41.409 -2.639 1.00 0.00 C ATOM 652 C ILE A 41 1.971 -41.917 -1.177 1.00 0.00 C ATOM 653 O ILE A 41 2.906 -42.029 -0.384 1.00 0.00 O ATOM 654 CB ILE A 41 3.320 -41.865 -3.410 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.204 -41.610 -4.932 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.626 -43.331 -3.242 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.075 -40.435 -5.282 1.00 0.00 C ATOM 0 H ILE A 41 2.550 -39.427 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 41 1.226 -41.913 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 41 4.120 -41.268 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.516 -42.493 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.168 -41.410 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.527 -43.581 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.783 -43.551 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.790 -43.922 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.008 -40.238 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.741 -39.557 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.109 -40.657 -5.018 1.00 0.00 H new ATOM 669 N LYS A 42 0.714 -42.258 -0.945 1.00 0.00 N ATOM 670 CA LYS A 42 0.123 -42.589 0.354 1.00 0.00 C ATOM 671 C LYS A 42 0.256 -44.064 0.797 1.00 0.00 C ATOM 672 O LYS A 42 0.026 -44.376 1.966 1.00 0.00 O ATOM 673 CB LYS A 42 -1.386 -42.202 0.248 1.00 0.00 C ATOM 674 CG LYS A 42 -2.052 -41.828 1.600 1.00 0.00 C ATOM 675 CD LYS A 42 -1.710 -40.394 2.073 1.00 0.00 C ATOM 676 CE LYS A 42 -2.537 -39.322 1.356 1.00 0.00 C ATOM 677 NZ LYS A 42 -1.893 -38.041 1.609 1.00 0.00 N ATOM 0 H LYS A 42 0.032 -42.317 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 42 0.670 -42.038 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.485 -41.359 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.932 -43.036 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.134 -41.923 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.736 -42.540 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.880 -40.320 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.650 -40.203 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.584 -39.524 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.563 -39.317 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.582 -37.274 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.534 -38.020 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.102 -37.913 0.946 1.00 0.00 H new ATOM 691 N ILE A 43 0.682 -44.962 -0.105 1.00 0.00 N ATOM 692 CA ILE A 43 0.412 -46.410 -0.049 1.00 0.00 C ATOM 693 C ILE A 43 0.927 -47.138 1.216 1.00 0.00 C ATOM 694 O ILE A 43 0.216 -48.005 1.732 1.00 0.00 O ATOM 695 CB ILE A 43 0.924 -47.074 -1.380 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.351 -46.438 -2.688 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.760 -48.616 -1.447 1.00 0.00 C ATOM 698 CD1 ILE A 43 -1.189 -46.459 -2.858 1.00 0.00 C ATOM 0 H ILE A 43 1.239 -44.695 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.668 -46.525 0.037 1.00 0.00 H new ATOM 0 HB ILE A 43 1.991 -46.854 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.684 -45.401 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.794 -46.955 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.141 -48.981 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.319 -49.077 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.295 -48.874 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.457 -45.989 -3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.542 -47.490 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.653 -45.913 -2.037 1.00 0.00 H new ATOM 710 N GLY A 44 2.113 -46.819 1.757 1.00 0.00 N ATOM 711 CA GLY A 44 2.580 -47.432 3.012 1.00 0.00 C ATOM 712 C GLY A 44 3.877 -46.848 3.617 1.00 0.00 C ATOM 713 O GLY A 44 4.620 -46.197 2.876 1.00 0.00 O ATOM 0 H GLY A 44 2.762 -46.146 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.786 -47.342 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.733 -48.497 2.837 1.00 0.00 H new ATOM 717 N PRO A 45 4.213 -47.055 4.920 1.00 0.00 N ATOM 718 CA PRO A 45 5.477 -46.615 5.556 1.00 0.00 C ATOM 719 C PRO A 45 6.775 -47.055 4.844 1.00 0.00 C ATOM 720 O PRO A 45 7.648 -46.227 4.564 1.00 0.00 O ATOM 721 CB PRO A 45 5.398 -47.217 6.971 1.00 0.00 C ATOM 722 CG PRO A 45 3.913 -47.186 7.249 1.00 0.00 C ATOM 723 CD PRO A 45 3.323 -47.657 5.923 1.00 0.00 C ATOM 0 HA PRO A 45 5.548 -45.528 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.797 -48.231 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.960 -46.628 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.640 -47.846 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.570 -46.186 7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.314 -48.745 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.293 -47.321 5.800 1.00 0.00 H new ATOM 731 N LYS A 46 6.891 -48.357 4.538 1.00 0.00 N ATOM 732 CA LYS A 46 7.984 -48.904 3.731 1.00 0.00 C ATOM 733 C LYS A 46 8.001 -48.397 2.276 1.00 0.00 C ATOM 734 O LYS A 46 9.074 -48.354 1.674 1.00 0.00 O ATOM 735 CB LYS A 46 7.973 -50.453 3.781 1.00 0.00 C ATOM 736 CG LYS A 46 8.691 -51.010 5.030 1.00 0.00 C ATOM 737 CD LYS A 46 8.748 -52.554 4.984 1.00 0.00 C ATOM 738 CE LYS A 46 9.779 -53.194 5.927 1.00 0.00 C ATOM 739 NZ LYS A 46 11.120 -52.831 5.475 1.00 0.00 N ATOM 0 H LYS A 46 6.222 -49.062 4.848 1.00 0.00 H new ATOM 0 HA LYS A 46 8.906 -48.535 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.942 -50.806 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.453 -50.846 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.702 -50.605 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.168 -50.687 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.761 -52.947 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.970 -52.864 3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.620 -52.851 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.663 -54.278 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.767 -53.630 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.094 -52.599 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.455 -52.005 6.010 1.00 0.00 H new ATOM 753 N CYS A 47 6.841 -47.998 1.725 1.00 0.00 N ATOM 754 CA CYS A 47 6.739 -47.336 0.422 1.00 0.00 C ATOM 755 C CYS A 47 7.366 -45.932 0.500 1.00 0.00 C ATOM 756 O CYS A 47 8.335 -45.712 -0.226 1.00 0.00 O ATOM 757 CB CYS A 47 5.249 -47.295 -0.011 1.00 0.00 C ATOM 758 SG CYS A 47 4.767 -46.698 -1.658 1.00 0.00 S ATOM 0 H CYS A 47 5.939 -48.130 2.182 1.00 0.00 H new ATOM 0 HA CYS A 47 7.292 -47.893 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.860 -48.309 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.722 -46.680 0.718 1.00 0.00 H new ATOM 763 N VAL A 48 6.886 -44.994 1.347 1.00 0.00 N ATOM 764 CA VAL A 48 7.565 -43.706 1.579 1.00 0.00 C ATOM 765 C VAL A 48 9.074 -43.805 1.882 1.00 0.00 C ATOM 766 O VAL A 48 9.849 -42.975 1.405 1.00 0.00 O ATOM 767 CB VAL A 48 6.911 -42.813 2.690 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.579 -41.458 2.094 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.627 -43.326 3.331 1.00 0.00 C ATOM 0 H VAL A 48 6.026 -45.109 1.883 1.00 0.00 H new ATOM 0 HA VAL A 48 7.434 -43.228 0.608 1.00 0.00 H new ATOM 0 HB VAL A 48 7.660 -42.798 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.123 -40.827 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.492 -40.987 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.883 -41.586 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.284 -42.612 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.860 -43.445 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.817 -44.288 3.807 1.00 0.00 H new ATOM 779 N LYS A 49 9.495 -44.800 2.678 1.00 0.00 N ATOM 780 CA LYS A 49 10.920 -45.048 2.941 1.00 0.00 C ATOM 781 C LYS A 49 11.728 -45.553 1.716 1.00 0.00 C ATOM 782 O LYS A 49 12.796 -44.988 1.442 1.00 0.00 O ATOM 783 CB LYS A 49 11.039 -45.983 4.173 1.00 0.00 C ATOM 784 CG LYS A 49 12.410 -45.962 4.890 1.00 0.00 C ATOM 785 CD LYS A 49 12.767 -44.579 5.494 1.00 0.00 C ATOM 786 CE LYS A 49 14.020 -44.556 6.369 1.00 0.00 C ATOM 787 NZ LYS A 49 15.161 -45.042 5.601 1.00 0.00 N ATOM 0 H LYS A 49 8.866 -45.448 3.152 1.00 0.00 H new ATOM 0 HA LYS A 49 11.390 -44.089 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.267 -45.709 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.830 -47.004 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.408 -46.708 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.186 -46.253 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.899 -43.867 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.922 -44.230 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.211 -43.543 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.871 -45.178 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.019 -44.994 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.992 -46.027 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.286 -44.452 4.754 1.00 0.00 H new ATOM 801 N ALA A 50 11.255 -46.571 0.961 1.00 0.00 N ATOM 802 CA ALA A 50 11.799 -46.949 -0.360 1.00 0.00 C ATOM 803 C ALA A 50 11.838 -45.716 -1.296 1.00 0.00 C ATOM 804 O ALA A 50 12.892 -45.407 -1.855 1.00 0.00 O ATOM 805 CB ALA A 50 10.914 -48.092 -0.939 1.00 0.00 C ATOM 0 H ALA A 50 10.476 -47.159 1.257 1.00 0.00 H new ATOM 0 HA ALA A 50 12.824 -47.307 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.296 -48.389 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.938 -48.948 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.887 -47.740 -1.043 1.00 0.00 H new ATOM 811 N PHE A 51 10.725 -44.960 -1.375 1.00 0.00 N ATOM 812 CA PHE A 51 10.602 -43.712 -2.139 1.00 0.00 C ATOM 813 C PHE A 51 11.667 -42.670 -1.742 1.00 0.00 C ATOM 814 O PHE A 51 12.422 -42.247 -2.615 1.00 0.00 O ATOM 815 CB PHE A 51 9.170 -43.132 -1.897 1.00 0.00 C ATOM 816 CG PHE A 51 8.678 -42.154 -2.976 1.00 0.00 C ATOM 817 CD1 PHE A 51 9.269 -40.922 -3.213 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.635 -42.511 -3.810 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.869 -40.108 -4.255 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.231 -41.714 -4.842 1.00 0.00 C ATOM 821 CZ PHE A 51 7.848 -40.507 -5.085 1.00 0.00 C ATOM 0 H PHE A 51 9.863 -45.213 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 51 10.762 -43.935 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.465 -43.960 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.158 -42.623 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.065 -40.589 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.125 -43.448 -3.640 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.358 -39.159 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.417 -42.034 -5.476 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.536 -39.886 -5.912 1.00 0.00 H new ATOM 831 N LYS A 52 11.751 -42.252 -0.465 1.00 0.00 N ATOM 832 CA LYS A 52 12.692 -41.222 -0.012 1.00 0.00 C ATOM 833 C LYS A 52 14.180 -41.630 -0.143 1.00 0.00 C ATOM 834 O LYS A 52 15.012 -40.787 -0.508 1.00 0.00 O ATOM 835 CB LYS A 52 12.322 -40.772 1.432 1.00 0.00 C ATOM 836 CG LYS A 52 13.084 -39.535 1.993 1.00 0.00 C ATOM 837 CD LYS A 52 12.792 -38.196 1.263 1.00 0.00 C ATOM 838 CE LYS A 52 13.637 -37.063 1.851 1.00 0.00 C ATOM 839 NZ LYS A 52 13.459 -35.858 1.044 1.00 0.00 N ATOM 0 H LYS A 52 11.163 -42.624 0.281 1.00 0.00 H new ATOM 0 HA LYS A 52 12.589 -40.370 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.254 -40.555 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.493 -41.612 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.831 -39.419 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.155 -39.733 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.006 -38.302 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.734 -37.951 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.341 -36.871 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.688 -37.350 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.278 -35.230 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.379 -36.121 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.594 -35.365 1.343 1.00 0.00 H new ATOM 853 N ASP A 53 14.566 -42.897 0.097 1.00 0.00 N ATOM 854 CA ASP A 53 15.959 -43.305 -0.116 1.00 0.00 C ATOM 855 C ASP A 53 16.344 -43.470 -1.612 1.00 0.00 C ATOM 856 O ASP A 53 17.448 -43.071 -2.019 1.00 0.00 O ATOM 857 CB ASP A 53 16.283 -44.512 0.800 1.00 0.00 C ATOM 858 CG ASP A 53 16.436 -44.059 2.254 1.00 0.00 C ATOM 859 OD1 ASP A 53 17.403 -43.356 2.560 1.00 0.00 O ATOM 860 OD2 ASP A 53 15.617 -44.422 3.098 1.00 0.00 O ATOM 0 H ASP A 53 13.947 -43.636 0.430 1.00 0.00 H new ATOM 0 HA ASP A 53 16.619 -42.492 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.489 -45.255 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.202 -44.994 0.465 1.00 0.00 H new ATOM 865 N CYS A 54 15.455 -44.018 -2.457 1.00 0.00 N ATOM 866 CA CYS A 54 15.597 -43.922 -3.916 1.00 0.00 C ATOM 867 C CYS A 54 15.548 -42.472 -4.463 1.00 0.00 C ATOM 868 O CYS A 54 16.232 -42.189 -5.449 1.00 0.00 O ATOM 869 CB CYS A 54 14.550 -44.813 -4.610 1.00 0.00 C ATOM 870 SG CYS A 54 15.028 -46.525 -4.992 1.00 0.00 S ATOM 0 H CYS A 54 14.629 -44.533 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 54 16.598 -44.283 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.663 -44.844 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.260 -44.328 -5.542 1.00 0.00 H new ATOM 875 N CYS A 55 14.760 -41.553 -3.875 1.00 0.00 N ATOM 876 CA CYS A 55 14.854 -40.099 -4.102 1.00 0.00 C ATOM 877 C CYS A 55 16.260 -39.526 -3.846 1.00 0.00 C ATOM 878 O CYS A 55 16.741 -38.713 -4.637 1.00 0.00 O ATOM 879 CB CYS A 55 13.839 -39.392 -3.177 1.00 0.00 C ATOM 880 SG CYS A 55 13.942 -37.586 -3.056 1.00 0.00 S ATOM 0 H CYS A 55 14.025 -41.806 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 55 14.634 -39.920 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.836 -39.651 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.952 -39.804 -2.174 1.00 0.00 H new ATOM 885 N TYR A 56 16.896 -39.903 -2.728 1.00 0.00 N ATOM 886 CA TYR A 56 18.313 -39.620 -2.479 1.00 0.00 C ATOM 887 C TYR A 56 19.236 -40.122 -3.613 1.00 0.00 C ATOM 888 O TYR A 56 20.059 -39.331 -4.085 1.00 0.00 O ATOM 889 CB TYR A 56 18.635 -40.183 -1.071 1.00 0.00 C ATOM 890 CG TYR A 56 20.114 -40.506 -0.822 1.00 0.00 C ATOM 891 CD1 TYR A 56 21.038 -39.540 -0.461 1.00 0.00 C ATOM 892 CD2 TYR A 56 20.544 -41.821 -0.865 1.00 0.00 C ATOM 893 CE1 TYR A 56 22.339 -39.880 -0.139 1.00 0.00 C ATOM 894 CE2 TYR A 56 21.837 -42.165 -0.543 1.00 0.00 C ATOM 895 CZ TYR A 56 22.733 -41.194 -0.176 1.00 0.00 C ATOM 896 OH TYR A 56 24.002 -41.540 0.156 1.00 0.00 O ATOM 0 H TYR A 56 16.440 -40.413 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 56 18.510 -38.548 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 56 18.306 -39.461 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.050 -41.090 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 56 20.737 -38.503 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.849 -42.594 -1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 56 23.045 -39.112 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 56 22.146 -43.199 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 56 24.171 -42.465 -0.119 1.00 0.00 H new ATOM 906 N ILE A 57 19.091 -41.378 -4.081 1.00 0.00 N ATOM 907 CA ILE A 57 19.789 -41.852 -5.300 1.00 0.00 C ATOM 908 C ILE A 57 19.492 -40.993 -6.546 1.00 0.00 C ATOM 909 O ILE A 57 20.411 -40.567 -7.252 1.00 0.00 O ATOM 910 CB ILE A 57 19.457 -43.361 -5.595 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.799 -44.316 -4.429 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.073 -43.923 -6.908 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.232 -44.173 -3.894 1.00 0.00 C ATOM 0 H ILE A 57 18.500 -42.082 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 57 20.854 -41.751 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 57 18.375 -43.335 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.099 -44.138 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.648 -45.343 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.789 -44.969 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.703 -43.350 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.159 -43.845 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.388 -44.879 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.942 -44.381 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.384 -43.157 -3.529 1.00 0.00 H new ATOM 925 N ALA A 58 18.206 -40.734 -6.795 1.00 0.00 N ATOM 926 CA ALA A 58 17.746 -39.866 -7.887 1.00 0.00 C ATOM 927 C ALA A 58 18.307 -38.430 -7.833 1.00 0.00 C ATOM 928 O ALA A 58 18.732 -37.916 -8.867 1.00 0.00 O ATOM 929 CB ALA A 58 16.219 -39.820 -7.890 1.00 0.00 C ATOM 0 H ALA A 58 17.445 -41.124 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 58 18.129 -40.305 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.876 -39.176 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.825 -40.826 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.865 -39.425 -6.938 1.00 0.00 H new ATOM 935 N ASN A 59 18.320 -37.770 -6.665 1.00 0.00 N ATOM 936 CA ASN A 59 18.945 -36.453 -6.487 1.00 0.00 C ATOM 937 C ASN A 59 20.482 -36.455 -6.590 1.00 0.00 C ATOM 938 O ASN A 59 21.054 -35.416 -6.917 1.00 0.00 O ATOM 939 CB ASN A 59 18.433 -35.755 -5.205 1.00 0.00 C ATOM 940 CG ASN A 59 16.979 -35.322 -5.403 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.681 -34.217 -5.845 1.00 0.00 O ATOM 942 ND2 ASN A 59 16.012 -36.166 -5.121 1.00 0.00 N ATOM 0 H ASN A 59 17.895 -38.138 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 59 18.623 -35.857 -7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.509 -36.433 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.054 -34.888 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.040 -35.896 -5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.234 -37.091 -4.752 1.00 0.00 H new ATOM 949 N GLN A 60 21.171 -37.574 -6.321 1.00 0.00 N ATOM 950 CA GLN A 60 22.566 -37.754 -6.747 1.00 0.00 C ATOM 951 C GLN A 60 22.694 -37.852 -8.284 1.00 0.00 C ATOM 952 O GLN A 60 23.556 -37.192 -8.868 1.00 0.00 O ATOM 953 CB GLN A 60 23.181 -39.001 -6.063 1.00 0.00 C ATOM 954 CG GLN A 60 23.266 -38.859 -4.519 1.00 0.00 C ATOM 955 CD GLN A 60 23.712 -40.158 -3.840 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.239 -41.252 -4.126 1.00 0.00 O ATOM 957 NE2 GLN A 60 24.629 -40.098 -2.895 1.00 0.00 N ATOM 0 H GLN A 60 20.784 -38.368 -5.810 1.00 0.00 H new ATOM 0 HA GLN A 60 23.122 -36.870 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.583 -39.878 -6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.180 -39.174 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.965 -38.061 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.292 -38.564 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 60 25.039 -39.200 -2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.929 -40.950 -2.421 1.00 0.00 H new ATOM 966 N VAL A 61 21.840 -38.652 -8.948 1.00 0.00 N ATOM 967 CA VAL A 61 21.806 -38.770 -10.416 1.00 0.00 C ATOM 968 C VAL A 61 21.375 -37.471 -11.133 1.00 0.00 C ATOM 969 O VAL A 61 22.155 -36.999 -11.962 1.00 0.00 O ATOM 970 CB VAL A 61 20.949 -40.003 -10.863 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.828 -40.168 -12.397 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.537 -41.322 -10.320 1.00 0.00 C ATOM 0 H VAL A 61 21.150 -39.238 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 61 22.835 -38.941 -10.733 1.00 0.00 H new ATOM 0 HB VAL A 61 19.960 -39.800 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.220 -41.044 -12.622 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.358 -39.281 -12.822 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.821 -40.295 -12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.919 -42.158 -10.648 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.552 -41.451 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.556 -41.291 -9.231 1.00 0.00 H new ATOM 982 N ARG A 62 20.212 -36.849 -10.854 1.00 0.00 N ATOM 983 CA ARG A 62 19.745 -35.648 -11.574 1.00 0.00 C ATOM 984 C ARG A 62 20.574 -34.362 -11.330 1.00 0.00 C ATOM 985 O ARG A 62 20.425 -33.385 -12.066 1.00 0.00 O ATOM 986 CB ARG A 62 18.212 -35.414 -11.386 1.00 0.00 C ATOM 987 CG ARG A 62 17.736 -34.961 -9.983 1.00 0.00 C ATOM 988 CD ARG A 62 16.204 -34.870 -9.897 1.00 0.00 C ATOM 989 NE ARG A 62 15.802 -34.299 -8.610 1.00 0.00 N ATOM 990 CZ ARG A 62 14.648 -33.742 -8.362 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.721 -33.564 -9.234 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.448 -33.362 -7.161 1.00 0.00 N ATOM 0 H ARG A 62 19.572 -37.164 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 62 19.923 -35.876 -12.625 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.892 -34.665 -12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.695 -36.340 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.100 -35.662 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.171 -33.989 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.823 -34.254 -10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.766 -35.861 -10.016 1.00 0.00 H new ATOM 0 HE ARG A 62 16.477 -34.340 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.862 -33.867 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.844 -33.120 -8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.171 -33.500 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.565 -32.920 -6.906 1.00 0.00 H new ATOM 1006 N ALA A 63 21.435 -34.322 -10.301 1.00 0.00 N ATOM 1007 CA ALA A 63 22.466 -33.289 -10.161 1.00 0.00 C ATOM 1008 C ALA A 63 23.712 -33.549 -11.037 1.00 0.00 C ATOM 1009 O ALA A 63 24.350 -32.607 -11.510 1.00 0.00 O ATOM 1010 CB ALA A 63 22.857 -33.194 -8.674 1.00 0.00 C ATOM 0 H ALA A 63 21.434 -35.006 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 63 22.050 -32.345 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.624 -32.430 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.980 -32.929 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.244 -34.156 -8.337 1.00 0.00 H new ATOM 1016 N GLU A 64 24.074 -34.823 -11.240 1.00 0.00 N ATOM 1017 CA GLU A 64 25.186 -35.236 -12.099 1.00 0.00 C ATOM 1018 C GLU A 64 24.775 -35.347 -13.586 1.00 0.00 C ATOM 1019 O GLU A 64 25.470 -34.842 -14.468 1.00 0.00 O ATOM 1020 CB GLU A 64 25.679 -36.604 -11.560 1.00 0.00 C ATOM 1021 CG GLU A 64 26.981 -37.147 -12.229 1.00 0.00 C ATOM 1022 CD GLU A 64 27.165 -38.643 -11.972 1.00 0.00 C ATOM 1023 OE1 GLU A 64 26.502 -39.434 -12.647 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.969 -38.999 -11.116 1.00 0.00 O ATOM 0 H GLU A 64 23.592 -35.608 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 64 25.976 -34.485 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.850 -36.514 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.885 -37.338 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.942 -36.964 -13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.843 -36.602 -11.844 1.00 0.00 H new ATOM 1031 N GLN A 65 23.662 -36.027 -13.886 1.00 0.00 N ATOM 1032 CA GLN A 65 23.203 -36.270 -15.257 1.00 0.00 C ATOM 1033 C GLN A 65 21.810 -35.669 -15.550 1.00 0.00 C ATOM 1034 O GLN A 65 21.706 -34.895 -16.501 1.00 0.00 O ATOM 1035 CB GLN A 65 23.205 -37.809 -15.519 1.00 0.00 C ATOM 1036 CG GLN A 65 24.623 -38.446 -15.588 1.00 0.00 C ATOM 1037 CD GLN A 65 24.556 -39.975 -15.629 1.00 0.00 C ATOM 1038 OE1 GLN A 65 24.009 -40.580 -16.542 1.00 0.00 O ATOM 1039 NE2 GLN A 65 25.110 -40.672 -14.655 1.00 0.00 N ATOM 0 H GLN A 65 23.049 -36.428 -13.176 1.00 0.00 H new ATOM 0 HA GLN A 65 23.891 -35.765 -15.934 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.637 -38.301 -14.729 1.00 0.00 H new ATOM 0 HB3 GLN A 65 22.685 -38.007 -16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.143 -38.081 -16.473 1.00 0.00 H new ATOM 0 HG3 GLN A 65 25.206 -38.130 -14.723 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.572 -40.191 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.076 -41.691 -14.674 1.00 0.00 H new ATOM 1048 N SER A 66 20.844 -35.982 -14.849 1.00 0.00 N TER 1049 SER A 66