USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0674 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0178 (180deg=-0.172) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0156 F(o=-0.76,f=-0.016) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= -0.0807 (180deg=-0.0807) USER MOD Single : A 27 LYS NZ :NH3+ 138:sc= 0 (180deg=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.118 USER MOD Single : A 37 THR OG1 : rot 64:sc= 0.255 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.044) USER MOD Single : A 60 THR OG1 : rot -35:sc= 0.714 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.836 2.753 14.221 1.00 63.53 N ATOM 2 CA GLY A 1 -15.762 1.968 14.802 1.00 12.31 C ATOM 3 C GLY A 1 -14.917 1.274 13.752 1.00 54.34 C ATOM 4 O GLY A 1 -15.090 1.479 12.551 1.00 73.25 O ATOM 0 H1 GLY A 1 -16.745 3.744 14.524 1.00 63.53 H new ATOM 0 H2 GLY A 1 -16.781 2.702 13.184 1.00 63.53 H new ATOM 0 H3 GLY A 1 -17.752 2.377 14.538 1.00 63.53 H new ATOM 0 HA2 GLY A 1 -15.127 2.617 15.404 1.00 12.31 H new ATOM 0 HA3 GLY A 1 -16.185 1.222 15.475 1.00 12.31 H new ATOM 8 N PRO A 2 -13.976 0.433 14.206 1.00 72.14 N ATOM 9 CA PRO A 2 -13.082 -0.309 13.312 1.00 64.44 C ATOM 10 C PRO A 2 -13.814 -1.395 12.529 1.00 3.42 C ATOM 11 O PRO A 2 -14.952 -1.742 12.845 1.00 2.14 O ATOM 12 CB PRO A 2 -12.065 -0.935 14.269 1.00 24.52 C ATOM 13 CG PRO A 2 -12.782 -1.039 15.570 1.00 34.35 C ATOM 14 CD PRO A 2 -13.713 0.141 15.624 1.00 72.11 C ATOM 0 HA PRO A 2 -12.636 0.336 12.555 1.00 64.44 H new ATOM 0 HB2 PRO A 2 -11.741 -1.914 13.917 1.00 24.52 H new ATOM 0 HB3 PRO A 2 -11.172 -0.316 14.358 1.00 24.52 H new ATOM 0 HG2 PRO A 2 -13.335 -1.976 15.637 1.00 34.35 H new ATOM 0 HG3 PRO A 2 -12.081 -1.022 16.405 1.00 34.35 H new ATOM 0 HD2 PRO A 2 -14.631 -0.096 16.162 1.00 72.11 H new ATOM 0 HD3 PRO A 2 -13.256 0.991 16.131 1.00 72.11 H new ATOM 22 N LEU A 3 -13.153 -1.925 11.506 1.00 72.43 N ATOM 23 CA LEU A 3 -13.742 -2.972 10.677 1.00 63.41 C ATOM 24 C LEU A 3 -12.669 -3.691 9.865 1.00 21.41 C ATOM 25 O LEU A 3 -12.222 -3.196 8.831 1.00 70.53 O ATOM 26 CB LEU A 3 -14.793 -2.376 9.739 1.00 34.51 C ATOM 27 CG LEU A 3 -14.423 -1.054 9.069 1.00 42.41 C ATOM 28 CD1 LEU A 3 -14.672 -1.125 7.571 1.00 14.41 C ATOM 29 CD2 LEU A 3 -15.207 0.096 9.688 1.00 24.42 C ATOM 0 H LEU A 3 -12.211 -1.648 11.231 1.00 72.43 H new ATOM 0 HA LEU A 3 -14.221 -3.697 11.335 1.00 63.41 H new ATOM 0 HB2 LEU A 3 -15.011 -3.106 8.960 1.00 34.51 H new ATOM 0 HB3 LEU A 3 -15.713 -2.228 10.304 1.00 34.51 H new ATOM 0 HG LEU A 3 -13.360 -0.873 9.231 1.00 42.41 H new ATOM 0 HD11 LEU A 3 -14.402 -0.174 7.112 1.00 14.41 H new ATOM 0 HD12 LEU A 3 -14.066 -1.921 7.139 1.00 14.41 H new ATOM 0 HD13 LEU A 3 -15.726 -1.331 7.387 1.00 14.41 H new ATOM 0 HD21 LEU A 3 -14.931 1.030 9.198 1.00 24.42 H new ATOM 0 HD22 LEU A 3 -16.275 -0.080 9.558 1.00 24.42 H new ATOM 0 HD23 LEU A 3 -14.977 0.162 10.751 1.00 24.42 H new ATOM 41 N GLY A 4 -12.261 -4.864 10.340 1.00 0.04 N ATOM 42 CA GLY A 4 -11.245 -5.633 9.645 1.00 12.13 C ATOM 43 C GLY A 4 -10.139 -6.100 10.570 1.00 64.35 C ATOM 44 O GLY A 4 -10.391 -6.810 11.543 1.00 62.21 O ATOM 0 H GLY A 4 -12.616 -5.295 11.193 1.00 0.04 H new ATOM 0 HA2 GLY A 4 -11.709 -6.499 9.172 1.00 12.13 H new ATOM 0 HA3 GLY A 4 -10.816 -5.026 8.848 1.00 12.13 H new ATOM 48 N SER A 5 -8.907 -5.703 10.264 1.00 61.12 N ATOM 49 CA SER A 5 -7.757 -6.090 11.072 1.00 65.15 C ATOM 50 C SER A 5 -7.611 -7.608 11.116 1.00 44.02 C ATOM 51 O SER A 5 -7.600 -8.211 12.190 1.00 43.11 O ATOM 52 CB SER A 5 -7.894 -5.538 12.491 1.00 50.10 C ATOM 53 OG SER A 5 -8.089 -4.134 12.476 1.00 61.34 O ATOM 0 H SER A 5 -8.681 -5.114 9.463 1.00 61.12 H new ATOM 0 HA SER A 5 -6.863 -5.669 10.612 1.00 65.15 H new ATOM 0 HB2 SER A 5 -8.734 -6.019 12.992 1.00 50.10 H new ATOM 0 HB3 SER A 5 -6.999 -5.778 13.066 1.00 50.10 H new ATOM 0 HG SER A 5 -8.175 -3.806 13.395 1.00 61.34 H new ATOM 59 N VAL A 6 -7.499 -8.221 9.942 1.00 30.12 N ATOM 60 CA VAL A 6 -7.352 -9.669 9.846 1.00 54.11 C ATOM 61 C VAL A 6 -5.897 -10.086 10.020 1.00 23.43 C ATOM 62 O VAL A 6 -4.982 -9.381 9.596 1.00 12.10 O ATOM 63 CB VAL A 6 -7.867 -10.195 8.493 1.00 74.45 C ATOM 64 CG1 VAL A 6 -7.798 -11.715 8.450 1.00 4.05 C ATOM 65 CG2 VAL A 6 -9.287 -9.712 8.239 1.00 70.23 C ATOM 0 H VAL A 6 -7.507 -7.738 9.044 1.00 30.12 H new ATOM 0 HA VAL A 6 -7.949 -10.103 10.648 1.00 54.11 H new ATOM 0 HB VAL A 6 -7.227 -9.802 7.703 1.00 74.45 H new ATOM 0 HG11 VAL A 6 -8.166 -12.069 7.487 1.00 4.05 H new ATOM 0 HG12 VAL A 6 -6.765 -12.036 8.584 1.00 4.05 H new ATOM 0 HG13 VAL A 6 -8.414 -12.130 9.248 1.00 4.05 H new ATOM 0 HG21 VAL A 6 -9.635 -10.093 7.279 1.00 70.23 H new ATOM 0 HG22 VAL A 6 -9.942 -10.074 9.032 1.00 70.23 H new ATOM 0 HG23 VAL A 6 -9.303 -8.622 8.224 1.00 70.23 H new ATOM 75 N ALA A 7 -5.690 -11.239 10.649 1.00 25.12 N ATOM 76 CA ALA A 7 -4.345 -11.752 10.879 1.00 21.53 C ATOM 77 C ALA A 7 -3.771 -12.375 9.611 1.00 74.33 C ATOM 78 O ALA A 7 -3.568 -13.587 9.538 1.00 51.24 O ATOM 79 CB ALA A 7 -4.355 -12.770 12.010 1.00 42.10 C ATOM 0 H ALA A 7 -6.436 -11.835 11.008 1.00 25.12 H new ATOM 0 HA ALA A 7 -3.707 -10.915 11.163 1.00 21.53 H new ATOM 0 HB1 ALA A 7 -3.344 -13.145 12.171 1.00 42.10 H new ATOM 0 HB2 ALA A 7 -4.716 -12.296 12.923 1.00 42.10 H new ATOM 0 HB3 ALA A 7 -5.012 -13.599 11.747 1.00 42.10 H new ATOM 85 N LYS A 8 -3.512 -11.538 8.612 1.00 60.15 N ATOM 86 CA LYS A 8 -2.962 -12.005 7.345 1.00 64.22 C ATOM 87 C LYS A 8 -1.665 -12.778 7.568 1.00 73.25 C ATOM 88 O LYS A 8 -1.172 -12.873 8.691 1.00 0.44 O ATOM 89 CB LYS A 8 -2.707 -10.822 6.408 1.00 3.24 C ATOM 90 CG LYS A 8 -3.542 -10.859 5.140 1.00 32.11 C ATOM 91 CD LYS A 8 -4.937 -10.303 5.375 1.00 41.02 C ATOM 92 CE LYS A 8 -6.004 -11.365 5.156 1.00 42.14 C ATOM 93 NZ LYS A 8 -7.211 -10.808 4.485 1.00 53.33 N ATOM 0 H LYS A 8 -3.674 -10.532 8.656 1.00 60.15 H new ATOM 0 HA LYS A 8 -3.690 -12.674 6.886 1.00 64.22 H new ATOM 0 HB2 LYS A 8 -2.914 -9.895 6.942 1.00 3.24 H new ATOM 0 HB3 LYS A 8 -1.651 -10.805 6.137 1.00 3.24 H new ATOM 0 HG2 LYS A 8 -3.046 -10.282 4.360 1.00 32.11 H new ATOM 0 HG3 LYS A 8 -3.614 -11.885 4.780 1.00 32.11 H new ATOM 0 HD2 LYS A 8 -5.010 -9.917 6.392 1.00 41.02 H new ATOM 0 HD3 LYS A 8 -5.114 -9.464 4.702 1.00 41.02 H new ATOM 0 HE2 LYS A 8 -5.593 -12.174 4.552 1.00 42.14 H new ATOM 0 HE3 LYS A 8 -6.289 -11.797 6.115 1.00 42.14 H new ATOM 0 HZ1 LYS A 8 -7.915 -11.563 4.354 1.00 53.33 H new ATOM 0 HZ2 LYS A 8 -7.618 -10.053 5.074 1.00 53.33 H new ATOM 0 HZ3 LYS A 8 -6.944 -10.418 3.558 1.00 53.33 H new ATOM 107 N LYS A 9 -1.118 -13.330 6.489 1.00 12.35 N ATOM 108 CA LYS A 9 0.123 -14.092 6.565 1.00 33.44 C ATOM 109 C LYS A 9 1.308 -13.251 6.105 1.00 14.30 C ATOM 110 O LYS A 9 2.316 -13.784 5.640 1.00 13.13 O ATOM 111 CB LYS A 9 0.019 -15.358 5.711 1.00 22.01 C ATOM 112 CG LYS A 9 -0.087 -15.081 4.222 1.00 53.42 C ATOM 113 CD LYS A 9 -1.229 -15.859 3.590 1.00 21.44 C ATOM 114 CE LYS A 9 -0.817 -17.286 3.264 1.00 62.43 C ATOM 115 NZ LYS A 9 -1.941 -18.245 3.452 1.00 1.42 N ATOM 0 H LYS A 9 -1.515 -13.264 5.552 1.00 12.35 H new ATOM 0 HA LYS A 9 0.284 -14.374 7.605 1.00 33.44 H new ATOM 0 HB2 LYS A 9 0.893 -15.982 5.894 1.00 22.01 H new ATOM 0 HB3 LYS A 9 -0.853 -15.930 6.029 1.00 22.01 H new ATOM 0 HG2 LYS A 9 -0.239 -14.014 4.059 1.00 53.42 H new ATOM 0 HG3 LYS A 9 0.850 -15.348 3.734 1.00 53.42 H new ATOM 0 HD2 LYS A 9 -2.082 -15.871 4.269 1.00 21.44 H new ATOM 0 HD3 LYS A 9 -1.554 -15.356 2.679 1.00 21.44 H new ATOM 0 HE2 LYS A 9 -0.466 -17.336 2.233 1.00 62.43 H new ATOM 0 HE3 LYS A 9 0.019 -17.577 3.900 1.00 62.43 H new ATOM 0 HZ1 LYS A 9 -1.620 -19.206 3.220 1.00 1.42 H new ATOM 0 HZ2 LYS A 9 -2.260 -18.216 4.441 1.00 1.42 H new ATOM 0 HZ3 LYS A 9 -2.729 -17.983 2.826 1.00 1.42 H new ATOM 129 N ILE A 10 1.180 -11.934 6.237 1.00 23.52 N ATOM 130 CA ILE A 10 2.243 -11.021 5.837 1.00 70.43 C ATOM 131 C ILE A 10 2.593 -10.058 6.966 1.00 3.51 C ATOM 132 O ILE A 10 1.770 -9.240 7.378 1.00 2.11 O ATOM 133 CB ILE A 10 1.847 -10.210 4.589 1.00 21.11 C ATOM 134 CG1 ILE A 10 1.405 -11.147 3.464 1.00 60.24 C ATOM 135 CG2 ILE A 10 3.009 -9.338 4.134 1.00 55.11 C ATOM 136 CD1 ILE A 10 -0.088 -11.138 3.222 1.00 0.33 C ATOM 0 H ILE A 10 0.351 -11.477 6.617 1.00 23.52 H new ATOM 0 HA ILE A 10 3.114 -11.633 5.602 1.00 70.43 H new ATOM 0 HB ILE A 10 1.009 -9.561 4.846 1.00 21.11 H new ATOM 0 HG12 ILE A 10 1.916 -10.863 2.544 1.00 60.24 H new ATOM 0 HG13 ILE A 10 1.720 -12.163 3.703 1.00 60.24 H new ATOM 0 HG21 ILE A 10 2.714 -8.771 3.251 1.00 55.11 H new ATOM 0 HG22 ILE A 10 3.282 -8.649 4.934 1.00 55.11 H new ATOM 0 HG23 ILE A 10 3.864 -9.969 3.891 1.00 55.11 H new ATOM 0 HD11 ILE A 10 -0.329 -11.825 2.411 1.00 0.33 H new ATOM 0 HD12 ILE A 10 -0.605 -11.451 4.129 1.00 0.33 H new ATOM 0 HD13 ILE A 10 -0.407 -10.131 2.952 1.00 0.33 H new ATOM 148 N THR A 11 3.823 -10.158 7.462 1.00 2.01 N ATOM 149 CA THR A 11 4.284 -9.296 8.543 1.00 52.23 C ATOM 150 C THR A 11 4.921 -8.023 7.997 1.00 73.02 C ATOM 151 O THR A 11 6.091 -8.017 7.618 1.00 52.24 O ATOM 152 CB THR A 11 5.302 -10.020 9.444 1.00 1.10 C ATOM 153 OG1 THR A 11 4.711 -11.197 10.004 1.00 65.34 O ATOM 154 CG2 THR A 11 5.781 -9.106 10.562 1.00 11.53 C ATOM 0 H THR A 11 4.518 -10.828 7.132 1.00 2.01 H new ATOM 0 HA THR A 11 3.407 -9.035 9.135 1.00 52.23 H new ATOM 0 HB THR A 11 6.160 -10.301 8.833 1.00 1.10 H new ATOM 0 HG1 THR A 11 5.365 -11.652 10.574 1.00 65.34 H new ATOM 0 HG21 THR A 11 6.499 -9.639 11.185 1.00 11.53 H new ATOM 0 HG22 THR A 11 6.257 -8.225 10.133 1.00 11.53 H new ATOM 0 HG23 THR A 11 4.930 -8.799 11.170 1.00 11.53 H new ATOM 162 N TRP A 12 4.142 -6.946 7.961 1.00 61.44 N ATOM 163 CA TRP A 12 4.631 -5.666 7.462 1.00 63.45 C ATOM 164 C TRP A 12 5.749 -5.127 8.348 1.00 35.51 C ATOM 165 O TRP A 12 5.498 -4.642 9.452 1.00 13.24 O ATOM 166 CB TRP A 12 3.487 -4.654 7.388 1.00 21.12 C ATOM 167 CG TRP A 12 2.408 -5.047 6.425 1.00 2.23 C ATOM 168 CD1 TRP A 12 1.272 -5.751 6.709 1.00 25.13 C ATOM 169 CD2 TRP A 12 2.363 -4.759 5.024 1.00 13.20 C ATOM 170 NE1 TRP A 12 0.526 -5.919 5.569 1.00 54.31 N ATOM 171 CE2 TRP A 12 1.172 -5.318 4.521 1.00 63.41 C ATOM 172 CE3 TRP A 12 3.212 -4.082 4.144 1.00 41.21 C ATOM 173 CZ2 TRP A 12 0.812 -5.221 3.180 1.00 72.04 C ATOM 174 CZ3 TRP A 12 2.854 -3.987 2.813 1.00 11.24 C ATOM 175 CH2 TRP A 12 1.661 -4.553 2.341 1.00 45.11 C ATOM 0 H TRP A 12 3.170 -6.935 8.271 1.00 61.44 H new ATOM 0 HA TRP A 12 5.032 -5.823 6.461 1.00 63.45 H new ATOM 0 HB2 TRP A 12 3.052 -4.534 8.380 1.00 21.12 H new ATOM 0 HB3 TRP A 12 3.888 -3.683 7.097 1.00 21.12 H new ATOM 0 HD1 TRP A 12 1.001 -6.121 7.687 1.00 25.13 H new ATOM 0 HE1 TRP A 12 -0.365 -6.412 5.511 1.00 54.31 H new ATOM 0 HE3 TRP A 12 4.132 -3.641 4.498 1.00 41.21 H new ATOM 0 HZ2 TRP A 12 -0.106 -5.658 2.815 1.00 72.04 H new ATOM 0 HZ3 TRP A 12 3.504 -3.468 2.124 1.00 11.24 H new ATOM 0 HH2 TRP A 12 1.408 -4.460 1.295 1.00 45.11 H new ATOM 186 N ARG A 13 6.981 -5.215 7.860 1.00 15.41 N ATOM 187 CA ARG A 13 8.136 -4.735 8.609 1.00 20.44 C ATOM 188 C ARG A 13 8.461 -3.290 8.242 1.00 20.14 C ATOM 189 O ARG A 13 7.718 -2.643 7.505 1.00 71.35 O ATOM 190 CB ARG A 13 9.350 -5.627 8.341 1.00 3.23 C ATOM 191 CG ARG A 13 9.112 -7.093 8.663 1.00 70.52 C ATOM 192 CD ARG A 13 10.377 -7.764 9.173 1.00 61.14 C ATOM 193 NE ARG A 13 10.243 -8.205 10.559 1.00 42.34 N ATOM 194 CZ ARG A 13 9.496 -9.238 10.933 1.00 5.20 C ATOM 195 NH1 ARG A 13 8.820 -9.933 10.029 1.00 51.50 N ATOM 196 NH2 ARG A 13 9.425 -9.577 12.213 1.00 25.31 N ATOM 0 H ARG A 13 7.206 -5.614 6.949 1.00 15.41 H new ATOM 0 HA ARG A 13 7.891 -4.775 9.670 1.00 20.44 H new ATOM 0 HB2 ARG A 13 9.633 -5.535 7.292 1.00 3.23 H new ATOM 0 HB3 ARG A 13 10.192 -5.266 8.931 1.00 3.23 H new ATOM 0 HG2 ARG A 13 8.326 -7.179 9.413 1.00 70.52 H new ATOM 0 HG3 ARG A 13 8.759 -7.610 7.771 1.00 70.52 H new ATOM 0 HD2 ARG A 13 10.613 -8.621 8.541 1.00 61.14 H new ATOM 0 HD3 ARG A 13 11.213 -7.069 9.093 1.00 61.14 H new ATOM 0 HE ARG A 13 10.751 -7.692 11.279 1.00 42.34 H new ATOM 0 HH11 ARG A 13 8.873 -9.675 9.044 1.00 51.50 H new ATOM 0 HH12 ARG A 13 8.247 -10.726 10.319 1.00 51.50 H new ATOM 0 HH21 ARG A 13 9.944 -9.045 12.911 1.00 25.31 H new ATOM 0 HH22 ARG A 13 8.851 -10.370 12.499 1.00 25.31 H new ATOM 210 N LYS A 14 9.577 -2.790 8.761 1.00 22.33 N ATOM 211 CA LYS A 14 10.004 -1.423 8.488 1.00 15.42 C ATOM 212 C LYS A 14 10.372 -1.251 7.018 1.00 0.10 C ATOM 213 O LYS A 14 9.816 -0.398 6.326 1.00 23.23 O ATOM 214 CB LYS A 14 11.198 -1.054 9.371 1.00 55.51 C ATOM 215 CG LYS A 14 11.567 0.419 9.309 1.00 51.23 C ATOM 216 CD LYS A 14 12.986 0.659 9.794 1.00 23.42 C ATOM 217 CE LYS A 14 13.801 1.436 8.773 1.00 51.24 C ATOM 218 NZ LYS A 14 13.200 2.767 8.481 1.00 54.24 N ATOM 0 H LYS A 14 10.203 -3.312 9.374 1.00 22.33 H new ATOM 0 HA LYS A 14 9.172 -0.757 8.716 1.00 15.42 H new ATOM 0 HB2 LYS A 14 10.972 -1.320 10.403 1.00 55.51 H new ATOM 0 HB3 LYS A 14 12.060 -1.649 9.070 1.00 55.51 H new ATOM 0 HG2 LYS A 14 11.466 0.777 8.285 1.00 51.23 H new ATOM 0 HG3 LYS A 14 10.871 0.995 9.918 1.00 51.23 H new ATOM 0 HD2 LYS A 14 12.962 1.208 10.735 1.00 23.42 H new ATOM 0 HD3 LYS A 14 13.469 -0.297 9.995 1.00 23.42 H new ATOM 0 HE2 LYS A 14 14.817 1.570 9.145 1.00 51.24 H new ATOM 0 HE3 LYS A 14 13.873 0.860 7.851 1.00 51.24 H new ATOM 0 HZ1 LYS A 14 13.930 3.401 8.098 1.00 54.24 H new ATOM 0 HZ2 LYS A 14 12.436 2.658 7.784 1.00 54.24 H new ATOM 0 HZ3 LYS A 14 12.814 3.173 9.357 1.00 54.24 H new ATOM 232 N GLN A 15 11.310 -2.067 6.548 1.00 13.41 N ATOM 233 CA GLN A 15 11.751 -2.004 5.160 1.00 10.14 C ATOM 234 C GLN A 15 10.589 -2.269 4.208 1.00 51.30 C ATOM 235 O GLN A 15 10.578 -1.783 3.076 1.00 22.30 O ATOM 236 CB GLN A 15 12.870 -3.017 4.912 1.00 61.33 C ATOM 237 CG GLN A 15 12.526 -4.427 5.364 1.00 71.23 C ATOM 238 CD GLN A 15 12.599 -5.436 4.234 1.00 22.10 C ATOM 239 OE1 GLN A 15 11.969 -5.113 3.110 1.00 60.13 O flip ATOM 240 NE2 GLN A 15 13.216 -6.493 4.370 1.00 21.42 N flip ATOM 0 H GLN A 15 11.779 -2.779 7.108 1.00 13.41 H new ATOM 0 HA GLN A 15 12.131 -1.000 4.971 1.00 10.14 H new ATOM 0 HB2 GLN A 15 13.105 -3.033 3.848 1.00 61.33 H new ATOM 0 HB3 GLN A 15 13.769 -2.687 5.432 1.00 61.33 H new ATOM 0 HG2 GLN A 15 13.209 -4.727 6.158 1.00 71.23 H new ATOM 0 HG3 GLN A 15 11.522 -4.434 5.788 1.00 71.23 H new ATOM 0 HE21 GLN A 15 13.685 -6.700 5.252 1.00 21.42 H new ATOM 0 HE22 GLN A 15 13.258 -7.162 3.601 1.00 21.42 H new ATOM 249 N ASP A 16 9.613 -3.041 4.673 1.00 63.23 N ATOM 250 CA ASP A 16 8.447 -3.370 3.862 1.00 62.32 C ATOM 251 C ASP A 16 7.607 -2.127 3.589 1.00 13.21 C ATOM 252 O ASP A 16 7.160 -1.901 2.464 1.00 34.30 O ATOM 253 CB ASP A 16 7.596 -4.432 4.563 1.00 52.35 C ATOM 254 CG ASP A 16 8.119 -5.836 4.334 1.00 51.11 C ATOM 255 OD1 ASP A 16 9.038 -6.253 5.068 1.00 22.03 O ATOM 256 OD2 ASP A 16 7.611 -6.518 3.419 1.00 75.14 O ATOM 0 H ASP A 16 9.606 -3.451 5.607 1.00 63.23 H new ATOM 0 HA ASP A 16 8.797 -3.766 2.909 1.00 62.32 H new ATOM 0 HB2 ASP A 16 7.572 -4.226 5.633 1.00 52.35 H new ATOM 0 HB3 ASP A 16 6.569 -4.367 4.203 1.00 52.35 H new ATOM 261 N LEU A 17 7.395 -1.323 4.625 1.00 33.13 N ATOM 262 CA LEU A 17 6.608 -0.101 4.498 1.00 21.12 C ATOM 263 C LEU A 17 7.298 0.898 3.575 1.00 62.20 C ATOM 264 O LEU A 17 6.664 1.493 2.703 1.00 30.01 O ATOM 265 CB LEU A 17 6.382 0.529 5.873 1.00 1.30 C ATOM 266 CG LEU A 17 5.339 -0.151 6.761 1.00 53.44 C ATOM 267 CD1 LEU A 17 5.521 0.263 8.212 1.00 5.33 C ATOM 268 CD2 LEU A 17 3.933 0.182 6.282 1.00 60.13 C ATOM 0 H LEU A 17 7.757 -1.495 5.563 1.00 33.13 H new ATOM 0 HA LEU A 17 5.644 -0.363 4.063 1.00 21.12 H new ATOM 0 HB2 LEU A 17 7.333 0.539 6.406 1.00 1.30 H new ATOM 0 HB3 LEU A 17 6.086 1.568 5.730 1.00 1.30 H new ATOM 0 HG LEU A 17 5.480 -1.230 6.693 1.00 53.44 H new ATOM 0 HD11 LEU A 17 4.770 -0.231 8.828 1.00 5.33 H new ATOM 0 HD12 LEU A 17 6.516 -0.026 8.551 1.00 5.33 H new ATOM 0 HD13 LEU A 17 5.408 1.344 8.299 1.00 5.33 H new ATOM 0 HD21 LEU A 17 3.203 -0.310 6.925 1.00 60.13 H new ATOM 0 HD22 LEU A 17 3.781 1.261 6.320 1.00 60.13 H new ATOM 0 HD23 LEU A 17 3.806 -0.166 5.257 1.00 60.13 H new ATOM 280 N ASP A 18 8.599 1.075 3.772 1.00 42.40 N ATOM 281 CA ASP A 18 9.378 2.000 2.954 1.00 34.34 C ATOM 282 C ASP A 18 9.227 1.674 1.472 1.00 32.03 C ATOM 283 O ASP A 18 9.335 2.554 0.618 1.00 1.34 O ATOM 284 CB ASP A 18 10.853 1.949 3.354 1.00 72.15 C ATOM 285 CG ASP A 18 11.623 3.166 2.881 1.00 53.15 C ATOM 286 OD1 ASP A 18 11.572 4.205 3.572 1.00 41.13 O ATOM 287 OD2 ASP A 18 12.276 3.081 1.819 1.00 32.22 O ATOM 0 H ASP A 18 9.138 0.591 4.490 1.00 42.40 H new ATOM 0 HA ASP A 18 8.998 3.007 3.126 1.00 34.34 H new ATOM 0 HB2 ASP A 18 10.930 1.873 4.439 1.00 72.15 H new ATOM 0 HB3 ASP A 18 11.308 1.050 2.938 1.00 72.15 H new ATOM 292 N ARG A 19 8.978 0.403 1.174 1.00 73.44 N ATOM 293 CA ARG A 19 8.815 -0.040 -0.206 1.00 3.12 C ATOM 294 C ARG A 19 7.484 0.438 -0.777 1.00 34.45 C ATOM 295 O ARG A 19 7.404 0.852 -1.934 1.00 42.41 O ATOM 296 CB ARG A 19 8.899 -1.566 -0.288 1.00 1.40 C ATOM 297 CG ARG A 19 8.769 -2.108 -1.702 1.00 12.11 C ATOM 298 CD ARG A 19 9.824 -1.519 -2.625 1.00 3.14 C ATOM 299 NE ARG A 19 11.177 -1.873 -2.204 1.00 42.22 N ATOM 300 CZ ARG A 19 12.272 -1.304 -2.697 1.00 60.44 C ATOM 301 NH1 ARG A 19 12.174 -0.360 -3.623 1.00 31.21 N ATOM 302 NH2 ARG A 19 13.468 -1.681 -2.264 1.00 3.22 N ATOM 0 H ARG A 19 8.885 -0.338 1.869 1.00 73.44 H new ATOM 0 HA ARG A 19 9.621 0.394 -0.798 1.00 3.12 H new ATOM 0 HB2 ARG A 19 9.851 -1.892 0.131 1.00 1.40 H new ATOM 0 HB3 ARG A 19 8.113 -1.998 0.331 1.00 1.40 H new ATOM 0 HG2 ARG A 19 8.863 -3.194 -1.686 1.00 12.11 H new ATOM 0 HG3 ARG A 19 7.776 -1.880 -2.090 1.00 12.11 H new ATOM 0 HD2 ARG A 19 9.656 -1.874 -3.642 1.00 3.14 H new ATOM 0 HD3 ARG A 19 9.723 -0.434 -2.646 1.00 3.14 H new ATOM 0 HE ARG A 19 11.287 -2.596 -1.493 1.00 42.22 H new ATOM 0 HH11 ARG A 19 11.256 -0.069 -3.959 1.00 31.21 H new ATOM 0 HH12 ARG A 19 13.017 0.075 -3.999 1.00 31.21 H new ATOM 0 HH21 ARG A 19 13.547 -2.408 -1.553 1.00 3.22 H new ATOM 0 HH22 ARG A 19 14.308 -1.244 -2.643 1.00 3.22 H new ATOM 316 N LEU A 20 6.439 0.377 0.041 1.00 13.14 N ATOM 317 CA LEU A 20 5.110 0.803 -0.382 1.00 31.14 C ATOM 318 C LEU A 20 4.979 2.321 -0.319 1.00 54.51 C ATOM 319 O LEU A 20 4.178 2.917 -1.040 1.00 35.23 O ATOM 320 CB LEU A 20 4.040 0.152 0.498 1.00 53.22 C ATOM 321 CG LEU A 20 2.627 0.721 0.368 1.00 4.43 C ATOM 322 CD1 LEU A 20 2.095 0.514 -1.041 1.00 12.33 C ATOM 323 CD2 LEU A 20 1.699 0.082 1.390 1.00 10.25 C ATOM 0 H LEU A 20 6.487 0.036 1.001 1.00 13.14 H new ATOM 0 HA LEU A 20 4.966 0.486 -1.415 1.00 31.14 H new ATOM 0 HB2 LEU A 20 4.004 -0.912 0.265 1.00 53.22 H new ATOM 0 HB3 LEU A 20 4.351 0.240 1.539 1.00 53.22 H new ATOM 0 HG LEU A 20 2.668 1.792 0.564 1.00 4.43 H new ATOM 0 HD11 LEU A 20 1.088 0.925 -1.114 1.00 12.33 H new ATOM 0 HD12 LEU A 20 2.746 1.020 -1.754 1.00 12.33 H new ATOM 0 HD13 LEU A 20 2.068 -0.552 -1.267 1.00 12.33 H new ATOM 0 HD21 LEU A 20 0.698 0.499 1.283 1.00 10.25 H new ATOM 0 HD22 LEU A 20 1.663 -0.995 1.226 1.00 10.25 H new ATOM 0 HD23 LEU A 20 2.070 0.284 2.395 1.00 10.25 H new ATOM 335 N LYS A 21 5.774 2.944 0.544 1.00 22.24 N ATOM 336 CA LYS A 21 5.752 4.394 0.698 1.00 34.23 C ATOM 337 C LYS A 21 6.152 5.085 -0.601 1.00 2.04 C ATOM 338 O LYS A 21 5.431 5.946 -1.104 1.00 13.52 O ATOM 339 CB LYS A 21 6.691 4.822 1.828 1.00 32.04 C ATOM 340 CG LYS A 21 6.286 6.125 2.495 1.00 41.54 C ATOM 341 CD LYS A 21 6.936 7.322 1.819 1.00 24.24 C ATOM 342 CE LYS A 21 5.898 8.249 1.208 1.00 42.11 C ATOM 343 NZ LYS A 21 6.482 9.566 0.833 1.00 44.50 N ATOM 0 H LYS A 21 6.443 2.467 1.148 1.00 22.24 H new ATOM 0 HA LYS A 21 4.734 4.693 0.948 1.00 34.23 H new ATOM 0 HB2 LYS A 21 6.724 4.034 2.580 1.00 32.04 H new ATOM 0 HB3 LYS A 21 7.701 4.926 1.430 1.00 32.04 H new ATOM 0 HG2 LYS A 21 5.202 6.231 2.461 1.00 41.54 H new ATOM 0 HG3 LYS A 21 6.571 6.101 3.547 1.00 41.54 H new ATOM 0 HD2 LYS A 21 7.533 7.872 2.546 1.00 24.24 H new ATOM 0 HD3 LYS A 21 7.618 6.976 1.043 1.00 24.24 H new ATOM 0 HE2 LYS A 21 5.466 7.779 0.325 1.00 42.11 H new ATOM 0 HE3 LYS A 21 5.085 8.401 1.918 1.00 42.11 H new ATOM 0 HZ1 LYS A 21 5.742 10.169 0.420 1.00 44.50 H new ATOM 0 HZ2 LYS A 21 6.871 10.027 1.680 1.00 44.50 H new ATOM 0 HZ3 LYS A 21 7.241 9.423 0.137 1.00 44.50 H new ATOM 357 N ARG A 22 7.305 4.702 -1.138 1.00 61.32 N ATOM 358 CA ARG A 22 7.801 5.285 -2.379 1.00 11.00 C ATOM 359 C ARG A 22 6.773 5.141 -3.497 1.00 13.34 C ATOM 360 O ARG A 22 6.754 5.929 -4.442 1.00 73.45 O ATOM 361 CB ARG A 22 9.115 4.620 -2.791 1.00 61.44 C ATOM 362 CG ARG A 22 8.998 3.118 -3.001 1.00 53.34 C ATOM 363 CD ARG A 22 9.560 2.699 -4.351 1.00 51.20 C ATOM 364 NE ARG A 22 11.010 2.863 -4.413 1.00 42.23 N ATOM 365 CZ ARG A 22 11.702 2.853 -5.547 1.00 5.21 C ATOM 366 NH1 ARG A 22 11.080 2.688 -6.706 1.00 53.44 N ATOM 367 NH2 ARG A 22 13.020 3.008 -5.523 1.00 3.03 N ATOM 0 H ARG A 22 7.914 3.990 -0.733 1.00 61.32 H new ATOM 0 HA ARG A 22 7.978 6.347 -2.206 1.00 11.00 H new ATOM 0 HB2 ARG A 22 9.472 5.080 -3.712 1.00 61.44 H new ATOM 0 HB3 ARG A 22 9.866 4.814 -2.025 1.00 61.44 H new ATOM 0 HG2 ARG A 22 9.530 2.596 -2.206 1.00 53.34 H new ATOM 0 HG3 ARG A 22 7.952 2.820 -2.933 1.00 53.34 H new ATOM 0 HD2 ARG A 22 9.304 1.657 -4.543 1.00 51.20 H new ATOM 0 HD3 ARG A 22 9.094 3.292 -5.138 1.00 51.20 H new ATOM 0 HE ARG A 22 11.519 2.992 -3.538 1.00 42.23 H new ATOM 0 HH11 ARG A 22 10.067 2.568 -6.729 1.00 53.44 H new ATOM 0 HH12 ARG A 22 11.614 2.681 -7.575 1.00 53.44 H new ATOM 0 HH21 ARG A 22 13.502 3.135 -4.633 1.00 3.03 H new ATOM 0 HH22 ARG A 22 13.550 3.000 -6.394 1.00 3.03 H new ATOM 381 N VAL A 23 5.918 4.129 -3.381 1.00 51.05 N ATOM 382 CA VAL A 23 4.887 3.882 -4.381 1.00 74.43 C ATOM 383 C VAL A 23 3.722 4.851 -4.220 1.00 13.43 C ATOM 384 O VAL A 23 3.216 5.399 -5.200 1.00 43.22 O ATOM 385 CB VAL A 23 4.355 2.439 -4.294 1.00 51.05 C ATOM 386 CG1 VAL A 23 3.428 2.139 -5.462 1.00 2.41 C ATOM 387 CG2 VAL A 23 5.509 1.448 -4.251 1.00 2.30 C ATOM 0 H VAL A 23 5.920 3.468 -2.604 1.00 51.05 H new ATOM 0 HA VAL A 23 5.350 4.033 -5.356 1.00 74.43 H new ATOM 0 HB VAL A 23 3.783 2.337 -3.372 1.00 51.05 H new ATOM 0 HG11 VAL A 23 3.063 1.115 -5.383 1.00 2.41 H new ATOM 0 HG12 VAL A 23 2.584 2.828 -5.443 1.00 2.41 H new ATOM 0 HG13 VAL A 23 3.973 2.258 -6.399 1.00 2.41 H new ATOM 0 HG21 VAL A 23 5.115 0.433 -4.190 1.00 2.30 H new ATOM 0 HG22 VAL A 23 6.110 1.550 -5.155 1.00 2.30 H new ATOM 0 HG23 VAL A 23 6.130 1.650 -3.378 1.00 2.30 H new ATOM 397 N ILE A 24 3.299 5.060 -2.978 1.00 24.54 N ATOM 398 CA ILE A 24 2.194 5.965 -2.687 1.00 61.43 C ATOM 399 C ILE A 24 2.554 7.402 -3.045 1.00 14.40 C ATOM 400 O ILE A 24 1.680 8.215 -3.348 1.00 60.21 O ATOM 401 CB ILE A 24 1.789 5.901 -1.203 1.00 0.33 C ATOM 402 CG1 ILE A 24 1.385 4.476 -0.822 1.00 52.44 C ATOM 403 CG2 ILE A 24 0.653 6.874 -0.923 1.00 4.11 C ATOM 404 CD1 ILE A 24 1.420 4.216 0.668 1.00 70.14 C ATOM 0 H ILE A 24 3.706 4.614 -2.156 1.00 24.54 H new ATOM 0 HA ILE A 24 1.351 5.642 -3.297 1.00 61.43 H new ATOM 0 HB ILE A 24 2.646 6.189 -0.594 1.00 0.33 H new ATOM 0 HG12 ILE A 24 0.379 4.281 -1.193 1.00 52.44 H new ATOM 0 HG13 ILE A 24 2.051 3.772 -1.321 1.00 52.44 H new ATOM 0 HG21 ILE A 24 0.377 6.818 0.130 1.00 4.11 H new ATOM 0 HG22 ILE A 24 0.976 7.888 -1.160 1.00 4.11 H new ATOM 0 HG23 ILE A 24 -0.209 6.614 -1.538 1.00 4.11 H new ATOM 0 HD11 ILE A 24 1.122 3.186 0.865 1.00 70.14 H new ATOM 0 HD12 ILE A 24 2.431 4.379 1.042 1.00 70.14 H new ATOM 0 HD13 ILE A 24 0.733 4.895 1.172 1.00 70.14 H new ATOM 416 N ALA A 25 3.846 7.710 -3.008 1.00 73.12 N ATOM 417 CA ALA A 25 4.322 9.050 -3.331 1.00 52.00 C ATOM 418 C ALA A 25 4.392 9.257 -4.841 1.00 2.34 C ATOM 419 O ALA A 25 4.306 10.386 -5.327 1.00 54.20 O ATOM 420 CB ALA A 25 5.685 9.292 -2.699 1.00 54.33 C ATOM 0 H ALA A 25 4.582 7.050 -2.758 1.00 73.12 H new ATOM 0 HA ALA A 25 3.612 9.770 -2.924 1.00 52.00 H new ATOM 0 HB1 ALA A 25 6.028 10.296 -2.948 1.00 54.33 H new ATOM 0 HB2 ALA A 25 5.607 9.194 -1.616 1.00 54.33 H new ATOM 0 HB3 ALA A 25 6.398 8.560 -3.079 1.00 54.33 H new ATOM 426 N LEU A 26 4.551 8.164 -5.577 1.00 32.35 N ATOM 427 CA LEU A 26 4.634 8.226 -7.032 1.00 13.03 C ATOM 428 C LEU A 26 3.246 8.149 -7.660 1.00 53.32 C ATOM 429 O LEU A 26 2.864 9.006 -8.458 1.00 3.45 O ATOM 430 CB LEU A 26 5.509 7.090 -7.563 1.00 31.54 C ATOM 431 CG LEU A 26 6.340 7.406 -8.805 1.00 63.15 C ATOM 432 CD1 LEU A 26 7.794 7.645 -8.428 1.00 5.30 C ATOM 433 CD2 LEU A 26 6.230 6.280 -9.822 1.00 70.23 C ATOM 0 H LEU A 26 4.625 7.223 -5.190 1.00 32.35 H new ATOM 0 HA LEU A 26 5.085 9.180 -7.304 1.00 13.03 H new ATOM 0 HB2 LEU A 26 6.186 6.778 -6.768 1.00 31.54 H new ATOM 0 HB3 LEU A 26 4.867 6.238 -7.787 1.00 31.54 H new ATOM 0 HG LEU A 26 5.948 8.317 -9.258 1.00 63.15 H new ATOM 0 HD11 LEU A 26 8.371 7.869 -9.326 1.00 5.30 H new ATOM 0 HD12 LEU A 26 7.857 8.486 -7.737 1.00 5.30 H new ATOM 0 HD13 LEU A 26 8.198 6.752 -7.951 1.00 5.30 H new ATOM 0 HD21 LEU A 26 6.829 6.523 -10.700 1.00 70.23 H new ATOM 0 HD22 LEU A 26 6.595 5.353 -9.379 1.00 70.23 H new ATOM 0 HD23 LEU A 26 5.188 6.156 -10.116 1.00 70.23 H new ATOM 445 N LYS A 27 2.492 7.118 -7.294 1.00 63.42 N ATOM 446 CA LYS A 27 1.144 6.930 -7.818 1.00 2.21 C ATOM 447 C LYS A 27 0.202 8.010 -7.296 1.00 72.43 C ATOM 448 O LYS A 27 -0.563 8.601 -8.057 1.00 74.14 O ATOM 449 CB LYS A 27 0.614 5.547 -7.434 1.00 24.31 C ATOM 450 CG LYS A 27 0.720 4.523 -8.551 1.00 21.32 C ATOM 451 CD LYS A 27 2.168 4.231 -8.904 1.00 64.01 C ATOM 452 CE LYS A 27 2.393 4.262 -10.408 1.00 40.51 C ATOM 453 NZ LYS A 27 2.619 5.648 -10.905 1.00 52.33 N ATOM 0 H LYS A 27 2.792 6.399 -6.636 1.00 63.42 H new ATOM 0 HA LYS A 27 1.189 7.006 -8.904 1.00 2.21 H new ATOM 0 HB2 LYS A 27 1.165 5.184 -6.566 1.00 24.31 H new ATOM 0 HB3 LYS A 27 -0.430 5.638 -7.134 1.00 24.31 H new ATOM 0 HG2 LYS A 27 0.225 3.600 -8.248 1.00 21.32 H new ATOM 0 HG3 LYS A 27 0.196 4.890 -9.434 1.00 21.32 H new ATOM 0 HD2 LYS A 27 2.816 4.964 -8.423 1.00 64.01 H new ATOM 0 HD3 LYS A 27 2.449 3.253 -8.513 1.00 64.01 H new ATOM 0 HE2 LYS A 27 3.253 3.641 -10.660 1.00 40.51 H new ATOM 0 HE3 LYS A 27 1.529 3.831 -10.914 1.00 40.51 H new ATOM 0 HZ1 LYS A 27 3.389 5.645 -11.604 1.00 52.33 H new ATOM 0 HZ2 LYS A 27 1.749 6.004 -11.350 1.00 52.33 H new ATOM 0 HZ3 LYS A 27 2.878 6.265 -10.108 1.00 52.33 H new ATOM 467 N LYS A 28 0.264 8.264 -5.993 1.00 61.02 N ATOM 468 CA LYS A 28 -0.581 9.275 -5.370 1.00 4.31 C ATOM 469 C LYS A 28 -2.050 9.037 -5.702 1.00 21.43 C ATOM 470 O LYS A 28 -2.675 9.795 -6.444 1.00 63.33 O ATOM 471 CB LYS A 28 -0.163 10.674 -5.831 1.00 34.45 C ATOM 472 CG LYS A 28 1.150 11.144 -5.232 1.00 25.23 C ATOM 473 CD LYS A 28 1.319 12.648 -5.369 1.00 50.31 C ATOM 474 CE LYS A 28 2.131 13.007 -6.605 1.00 70.24 C ATOM 475 NZ LYS A 28 1.758 14.342 -7.146 1.00 14.34 N ATOM 0 H LYS A 28 0.891 7.783 -5.348 1.00 61.02 H new ATOM 0 HA LYS A 28 -0.455 9.202 -4.290 1.00 4.31 H new ATOM 0 HB2 LYS A 28 -0.080 10.679 -6.918 1.00 34.45 H new ATOM 0 HB3 LYS A 28 -0.947 11.384 -5.568 1.00 34.45 H new ATOM 0 HG2 LYS A 28 1.190 10.867 -4.179 1.00 25.23 H new ATOM 0 HG3 LYS A 28 1.979 10.637 -5.727 1.00 25.23 H new ATOM 0 HD2 LYS A 28 0.339 13.122 -5.426 1.00 50.31 H new ATOM 0 HD3 LYS A 28 1.813 13.042 -4.481 1.00 50.31 H new ATOM 0 HE2 LYS A 28 3.192 13.000 -6.357 1.00 70.24 H new ATOM 0 HE3 LYS A 28 1.978 12.249 -7.373 1.00 70.24 H new ATOM 0 HZ1 LYS A 28 2.334 14.549 -7.987 1.00 14.34 H new ATOM 0 HZ2 LYS A 28 0.751 14.342 -7.407 1.00 14.34 H new ATOM 0 HZ3 LYS A 28 1.928 15.070 -6.423 1.00 14.34 H new ATOM 489 N PRO A 29 -2.618 7.959 -5.140 1.00 21.15 N ATOM 490 CA PRO A 29 -4.021 7.597 -5.360 1.00 43.44 C ATOM 491 C PRO A 29 -4.983 8.573 -4.692 1.00 54.21 C ATOM 492 O PRO A 29 -4.566 9.459 -3.947 1.00 41.31 O ATOM 493 CB PRO A 29 -4.135 6.212 -4.719 1.00 22.21 C ATOM 494 CG PRO A 29 -3.057 6.180 -3.691 1.00 55.13 C ATOM 495 CD PRO A 29 -1.932 7.011 -4.244 1.00 14.15 C ATOM 0 HA PRO A 29 -4.285 7.616 -6.417 1.00 43.44 H new ATOM 0 HB2 PRO A 29 -5.116 6.064 -4.268 1.00 22.21 H new ATOM 0 HB3 PRO A 29 -4.001 5.422 -5.458 1.00 22.21 H new ATOM 0 HG2 PRO A 29 -3.410 6.584 -2.742 1.00 55.13 H new ATOM 0 HG3 PRO A 29 -2.730 5.158 -3.500 1.00 55.13 H new ATOM 0 HD2 PRO A 29 -1.387 7.527 -3.454 1.00 14.15 H new ATOM 0 HD3 PRO A 29 -1.208 6.400 -4.783 1.00 14.15 H new ATOM 503 N SER A 30 -6.273 8.405 -4.965 1.00 21.31 N ATOM 504 CA SER A 30 -7.295 9.275 -4.393 1.00 65.54 C ATOM 505 C SER A 30 -8.237 8.484 -3.490 1.00 34.34 C ATOM 506 O SER A 30 -9.428 8.783 -3.403 1.00 44.14 O ATOM 507 CB SER A 30 -8.091 9.960 -5.505 1.00 54.31 C ATOM 508 OG SER A 30 -7.234 10.664 -6.386 1.00 60.32 O ATOM 0 H SER A 30 -6.635 7.675 -5.578 1.00 21.31 H new ATOM 0 HA SER A 30 -6.796 10.035 -3.792 1.00 65.54 H new ATOM 0 HB2 SER A 30 -8.658 9.215 -6.063 1.00 54.31 H new ATOM 0 HB3 SER A 30 -8.814 10.649 -5.068 1.00 54.31 H new ATOM 0 HG SER A 30 -7.767 11.091 -7.089 1.00 60.32 H new ATOM 514 N ALA A 31 -7.694 7.473 -2.819 1.00 73.13 N ATOM 515 CA ALA A 31 -8.485 6.640 -1.921 1.00 43.54 C ATOM 516 C ALA A 31 -9.563 5.879 -2.685 1.00 2.15 C ATOM 517 O ALA A 31 -10.724 6.288 -2.710 1.00 74.40 O ATOM 518 CB ALA A 31 -9.112 7.492 -0.826 1.00 43.05 C ATOM 0 H ALA A 31 -6.710 7.211 -2.880 1.00 73.13 H new ATOM 0 HA ALA A 31 -7.819 5.910 -1.461 1.00 43.54 H new ATOM 0 HB1 ALA A 31 -9.700 6.857 -0.163 1.00 43.05 H new ATOM 0 HB2 ALA A 31 -8.326 7.985 -0.254 1.00 43.05 H new ATOM 0 HB3 ALA A 31 -9.760 8.244 -1.276 1.00 43.05 H new ATOM 524 N SER A 32 -9.171 4.771 -3.307 1.00 10.43 N ATOM 525 CA SER A 32 -10.104 3.956 -4.075 1.00 71.24 C ATOM 526 C SER A 32 -9.599 2.521 -4.196 1.00 54.12 C ATOM 527 O SER A 32 -8.425 2.287 -4.481 1.00 62.12 O ATOM 528 CB SER A 32 -10.311 4.555 -5.468 1.00 21.03 C ATOM 529 OG SER A 32 -10.654 3.552 -6.408 1.00 13.12 O ATOM 0 H SER A 32 -8.214 4.418 -3.294 1.00 10.43 H new ATOM 0 HA SER A 32 -11.058 3.944 -3.547 1.00 71.24 H new ATOM 0 HB2 SER A 32 -11.099 5.307 -5.430 1.00 21.03 H new ATOM 0 HB3 SER A 32 -9.401 5.062 -5.788 1.00 21.03 H new ATOM 0 HG SER A 32 -10.782 3.960 -7.290 1.00 13.12 H new ATOM 535 N ASP A 33 -10.495 1.566 -3.977 1.00 30.35 N ATOM 536 CA ASP A 33 -10.143 0.153 -4.062 1.00 64.32 C ATOM 537 C ASP A 33 -9.450 -0.156 -5.386 1.00 44.31 C ATOM 538 O ASP A 33 -8.616 -1.056 -5.465 1.00 63.45 O ATOM 539 CB ASP A 33 -11.392 -0.716 -3.911 1.00 22.45 C ATOM 540 CG ASP A 33 -12.220 -0.765 -5.179 1.00 72.11 C ATOM 541 OD1 ASP A 33 -12.571 0.314 -5.700 1.00 40.23 O ATOM 542 OD2 ASP A 33 -12.519 -1.882 -5.651 1.00 43.42 O ATOM 0 H ASP A 33 -11.471 1.744 -3.739 1.00 30.35 H new ATOM 0 HA ASP A 33 -9.452 -0.073 -3.250 1.00 64.32 H new ATOM 0 HB2 ASP A 33 -11.096 -1.728 -3.635 1.00 22.45 H new ATOM 0 HB3 ASP A 33 -12.004 -0.329 -3.096 1.00 22.45 H new ATOM 547 N ALA A 34 -9.803 0.598 -6.422 1.00 30.40 N ATOM 548 CA ALA A 34 -9.215 0.406 -7.742 1.00 22.25 C ATOM 549 C ALA A 34 -7.860 1.100 -7.845 1.00 52.04 C ATOM 550 O ALA A 34 -6.966 0.633 -8.551 1.00 42.02 O ATOM 551 CB ALA A 34 -10.157 0.920 -8.819 1.00 61.23 C ATOM 0 H ALA A 34 -10.493 1.347 -6.373 1.00 30.40 H new ATOM 0 HA ALA A 34 -9.059 -0.662 -7.892 1.00 22.25 H new ATOM 0 HB1 ALA A 34 -9.705 0.770 -9.799 1.00 61.23 H new ATOM 0 HB2 ALA A 34 -11.100 0.376 -8.767 1.00 61.23 H new ATOM 0 HB3 ALA A 34 -10.342 1.983 -8.663 1.00 61.23 H new ATOM 557 N ASP A 35 -7.717 2.216 -7.139 1.00 72.30 N ATOM 558 CA ASP A 35 -6.472 2.974 -7.152 1.00 65.14 C ATOM 559 C ASP A 35 -5.359 2.203 -6.448 1.00 10.13 C ATOM 560 O ASP A 35 -4.288 1.985 -7.013 1.00 61.13 O ATOM 561 CB ASP A 35 -6.670 4.334 -6.482 1.00 31.32 C ATOM 562 CG ASP A 35 -7.194 5.383 -7.443 1.00 73.10 C ATOM 563 OD1 ASP A 35 -6.915 5.268 -8.655 1.00 11.04 O ATOM 564 OD2 ASP A 35 -7.882 6.319 -6.983 1.00 71.42 O ATOM 0 H ASP A 35 -8.448 2.616 -6.551 1.00 72.30 H new ATOM 0 HA ASP A 35 -6.181 3.129 -8.191 1.00 65.14 H new ATOM 0 HB2 ASP A 35 -7.366 4.228 -5.650 1.00 31.32 H new ATOM 0 HB3 ASP A 35 -5.722 4.671 -6.063 1.00 31.32 H new ATOM 569 N TRP A 36 -5.620 1.795 -5.212 1.00 14.43 N ATOM 570 CA TRP A 36 -4.641 1.049 -4.430 1.00 12.44 C ATOM 571 C TRP A 36 -4.194 -0.205 -5.170 1.00 61.51 C ATOM 572 O TRP A 36 -3.095 -0.713 -4.947 1.00 63.43 O ATOM 573 CB TRP A 36 -5.226 0.671 -3.067 1.00 51.54 C ATOM 574 CG TRP A 36 -5.031 1.729 -2.023 1.00 73.21 C ATOM 575 CD1 TRP A 36 -5.912 2.715 -1.682 1.00 14.53 C ATOM 576 CD2 TRP A 36 -3.882 1.906 -1.187 1.00 13.22 C ATOM 577 NE1 TRP A 36 -5.380 3.495 -0.683 1.00 0.41 N ATOM 578 CE2 TRP A 36 -4.136 3.019 -0.362 1.00 12.25 C ATOM 579 CE3 TRP A 36 -2.666 1.232 -1.054 1.00 3.41 C ATOM 580 CZ2 TRP A 36 -3.217 3.471 0.581 1.00 11.04 C ATOM 581 CZ3 TRP A 36 -1.754 1.683 -0.118 1.00 13.15 C ATOM 582 CH2 TRP A 36 -2.033 2.792 0.690 1.00 12.45 C ATOM 0 H TRP A 36 -6.502 1.968 -4.729 1.00 14.43 H new ATOM 0 HA TRP A 36 -3.771 1.688 -4.279 1.00 12.44 H new ATOM 0 HB2 TRP A 36 -6.292 0.474 -3.179 1.00 51.54 H new ATOM 0 HB3 TRP A 36 -4.764 -0.256 -2.726 1.00 51.54 H new ATOM 0 HD1 TRP A 36 -6.883 2.861 -2.131 1.00 14.53 H new ATOM 0 HE1 TRP A 36 -5.837 4.298 -0.251 1.00 0.41 H new ATOM 0 HE3 TRP A 36 -2.442 0.374 -1.671 1.00 3.41 H new ATOM 0 HZ2 TRP A 36 -3.430 4.327 1.204 1.00 11.04 H new ATOM 0 HZ3 TRP A 36 -0.810 1.171 -0.008 1.00 13.15 H new ATOM 0 HH2 TRP A 36 -1.300 3.118 1.413 1.00 12.45 H new ATOM 593 N THR A 37 -5.053 -0.703 -6.055 1.00 61.43 N ATOM 594 CA THR A 37 -4.747 -1.900 -6.828 1.00 41.32 C ATOM 595 C THR A 37 -3.411 -1.761 -7.550 1.00 52.54 C ATOM 596 O THR A 37 -2.524 -2.599 -7.399 1.00 4.44 O ATOM 597 CB THR A 37 -5.849 -2.198 -7.862 1.00 44.31 C ATOM 598 OG1 THR A 37 -7.123 -2.271 -7.213 1.00 62.35 O ATOM 599 CG2 THR A 37 -5.568 -3.504 -8.590 1.00 13.20 C ATOM 0 H THR A 37 -5.966 -0.295 -6.254 1.00 61.43 H new ATOM 0 HA THR A 37 -4.690 -2.728 -6.121 1.00 41.32 H new ATOM 0 HB THR A 37 -5.861 -1.389 -8.592 1.00 44.31 H new ATOM 0 HG1 THR A 37 -7.341 -1.400 -6.821 1.00 62.35 H new ATOM 0 HG21 THR A 37 -6.359 -3.694 -9.315 1.00 13.20 H new ATOM 0 HG22 THR A 37 -4.611 -3.434 -9.107 1.00 13.20 H new ATOM 0 HG23 THR A 37 -5.532 -4.321 -7.870 1.00 13.20 H new ATOM 607 N GLU A 38 -3.277 -0.696 -8.336 1.00 61.31 N ATOM 608 CA GLU A 38 -2.048 -0.449 -9.082 1.00 53.11 C ATOM 609 C GLU A 38 -0.869 -0.245 -8.135 1.00 73.45 C ATOM 610 O GLU A 38 0.215 -0.787 -8.351 1.00 71.24 O ATOM 611 CB GLU A 38 -2.211 0.778 -9.983 1.00 62.32 C ATOM 612 CG GLU A 38 -1.776 0.539 -11.419 1.00 40.51 C ATOM 613 CD GLU A 38 -2.802 -0.240 -12.218 1.00 33.11 C ATOM 614 OE1 GLU A 38 -3.986 0.157 -12.208 1.00 73.42 O ATOM 615 OE2 GLU A 38 -2.421 -1.245 -12.854 1.00 32.03 O ATOM 0 H GLU A 38 -4.003 0.008 -8.472 1.00 61.31 H new ATOM 0 HA GLU A 38 -1.847 -1.323 -9.702 1.00 53.11 H new ATOM 0 HB2 GLU A 38 -3.256 1.088 -9.975 1.00 62.32 H new ATOM 0 HB3 GLU A 38 -1.631 1.603 -9.569 1.00 62.32 H new ATOM 0 HG2 GLU A 38 -1.595 1.498 -11.904 1.00 40.51 H new ATOM 0 HG3 GLU A 38 -0.830 -0.003 -11.423 1.00 40.51 H new ATOM 622 N VAL A 39 -1.089 0.540 -7.086 1.00 24.20 N ATOM 623 CA VAL A 39 -0.045 0.816 -6.105 1.00 62.04 C ATOM 624 C VAL A 39 0.513 -0.477 -5.520 1.00 43.14 C ATOM 625 O VAL A 39 1.726 -0.695 -5.513 1.00 11.40 O ATOM 626 CB VAL A 39 -0.571 1.701 -4.960 1.00 32.33 C ATOM 627 CG1 VAL A 39 0.566 2.106 -4.034 1.00 14.11 C ATOM 628 CG2 VAL A 39 -1.281 2.925 -5.516 1.00 44.32 C ATOM 0 H VAL A 39 -1.980 0.996 -6.893 1.00 24.20 H new ATOM 0 HA VAL A 39 0.750 1.348 -6.628 1.00 62.04 H new ATOM 0 HB VAL A 39 -1.292 1.125 -4.380 1.00 32.33 H new ATOM 0 HG11 VAL A 39 0.176 2.731 -3.231 1.00 14.11 H new ATOM 0 HG12 VAL A 39 1.025 1.213 -3.609 1.00 14.11 H new ATOM 0 HG13 VAL A 39 1.313 2.664 -4.598 1.00 14.11 H new ATOM 0 HG21 VAL A 39 -1.646 3.539 -4.693 1.00 44.32 H new ATOM 0 HG22 VAL A 39 -0.585 3.506 -6.121 1.00 44.32 H new ATOM 0 HG23 VAL A 39 -2.122 2.609 -6.133 1.00 44.32 H new ATOM 638 N LEU A 40 -0.378 -1.331 -5.029 1.00 44.30 N ATOM 639 CA LEU A 40 0.026 -2.603 -4.441 1.00 71.14 C ATOM 640 C LEU A 40 0.459 -3.589 -5.521 1.00 61.44 C ATOM 641 O LEU A 40 1.151 -4.568 -5.240 1.00 62.32 O ATOM 642 CB LEU A 40 -1.122 -3.197 -3.624 1.00 0.55 C ATOM 643 CG LEU A 40 -1.968 -4.260 -4.326 1.00 44.40 C ATOM 644 CD1 LEU A 40 -1.362 -5.641 -4.125 1.00 75.14 C ATOM 645 CD2 LEU A 40 -3.401 -4.224 -3.816 1.00 75.12 C ATOM 0 H LEU A 40 -1.385 -1.166 -5.026 1.00 44.30 H new ATOM 0 HA LEU A 40 0.875 -2.417 -3.783 1.00 71.14 H new ATOM 0 HB2 LEU A 40 -0.707 -3.634 -2.716 1.00 0.55 H new ATOM 0 HB3 LEU A 40 -1.779 -2.384 -3.315 1.00 0.55 H new ATOM 0 HG LEU A 40 -1.979 -4.042 -5.394 1.00 44.40 H new ATOM 0 HD11 LEU A 40 -1.977 -6.385 -4.631 1.00 75.14 H new ATOM 0 HD12 LEU A 40 -0.354 -5.660 -4.540 1.00 75.14 H new ATOM 0 HD13 LEU A 40 -1.320 -5.869 -3.060 1.00 75.14 H new ATOM 0 HD21 LEU A 40 -3.988 -4.987 -4.327 1.00 75.12 H new ATOM 0 HD22 LEU A 40 -3.410 -4.416 -2.743 1.00 75.12 H new ATOM 0 HD23 LEU A 40 -3.832 -3.242 -4.012 1.00 75.12 H new ATOM 657 N ARG A 41 0.048 -3.324 -6.757 1.00 51.11 N ATOM 658 CA ARG A 41 0.394 -4.187 -7.880 1.00 31.22 C ATOM 659 C ARG A 41 1.895 -4.462 -7.911 1.00 54.14 C ATOM 660 O ARG A 41 2.327 -5.615 -7.888 1.00 74.14 O ATOM 661 CB ARG A 41 -0.047 -3.547 -9.198 1.00 24.24 C ATOM 662 CG ARG A 41 -0.103 -4.525 -10.360 1.00 43.13 C ATOM 663 CD ARG A 41 -1.113 -5.634 -10.108 1.00 3.23 C ATOM 664 NE ARG A 41 -0.464 -6.920 -9.867 1.00 73.11 N ATOM 665 CZ ARG A 41 -1.129 -8.051 -9.662 1.00 4.02 C ATOM 666 NH1 ARG A 41 -2.454 -8.055 -9.669 1.00 34.14 N ATOM 667 NH2 ARG A 41 -0.467 -9.182 -9.451 1.00 54.10 N ATOM 0 H ARG A 41 -0.525 -2.518 -7.006 1.00 51.11 H new ATOM 0 HA ARG A 41 -0.129 -5.135 -7.753 1.00 31.22 H new ATOM 0 HB2 ARG A 41 -1.031 -3.099 -9.063 1.00 24.24 H new ATOM 0 HB3 ARG A 41 0.640 -2.738 -9.447 1.00 24.24 H new ATOM 0 HG2 ARG A 41 -0.367 -3.992 -11.273 1.00 43.13 H new ATOM 0 HG3 ARG A 41 0.884 -4.960 -10.519 1.00 43.13 H new ATOM 0 HD2 ARG A 41 -1.731 -5.373 -9.249 1.00 3.23 H new ATOM 0 HD3 ARG A 41 -1.780 -5.719 -10.966 1.00 3.23 H new ATOM 0 HE ARG A 41 0.555 -6.951 -9.856 1.00 73.11 H new ATOM 0 HH11 ARG A 41 -2.966 -7.188 -9.832 1.00 34.14 H new ATOM 0 HH12 ARG A 41 -2.962 -8.925 -9.511 1.00 34.14 H new ATOM 0 HH21 ARG A 41 0.553 -9.183 -9.446 1.00 54.10 H new ATOM 0 HH22 ARG A 41 -0.978 -10.050 -9.294 1.00 54.10 H new ATOM 681 N LEU A 42 2.685 -3.396 -7.966 1.00 12.42 N ATOM 682 CA LEU A 42 4.138 -3.520 -8.003 1.00 23.05 C ATOM 683 C LEU A 42 4.650 -4.275 -6.780 1.00 11.04 C ATOM 684 O LEU A 42 5.740 -4.847 -6.802 1.00 21.24 O ATOM 685 CB LEU A 42 4.787 -2.137 -8.071 1.00 20.13 C ATOM 686 CG LEU A 42 5.268 -1.689 -9.451 1.00 63.11 C ATOM 687 CD1 LEU A 42 4.126 -1.731 -10.454 1.00 41.35 C ATOM 688 CD2 LEU A 42 5.867 -0.292 -9.380 1.00 3.04 C ATOM 0 H LEU A 42 2.344 -2.435 -7.986 1.00 12.42 H new ATOM 0 HA LEU A 42 4.407 -4.084 -8.896 1.00 23.05 H new ATOM 0 HB2 LEU A 42 4.071 -1.403 -7.702 1.00 20.13 H new ATOM 0 HB3 LEU A 42 5.638 -2.123 -7.390 1.00 20.13 H new ATOM 0 HG LEU A 42 6.043 -2.378 -9.785 1.00 63.11 H new ATOM 0 HD11 LEU A 42 4.487 -1.409 -11.431 1.00 41.35 H new ATOM 0 HD12 LEU A 42 3.743 -2.749 -10.527 1.00 41.35 H new ATOM 0 HD13 LEU A 42 3.328 -1.066 -10.125 1.00 41.35 H new ATOM 0 HD21 LEU A 42 6.204 0.010 -10.372 1.00 3.04 H new ATOM 0 HD22 LEU A 42 5.113 0.410 -9.024 1.00 3.04 H new ATOM 0 HD23 LEU A 42 6.714 -0.294 -8.694 1.00 3.04 H new ATOM 700 N LEU A 43 3.855 -4.274 -5.715 1.00 62.23 N ATOM 701 CA LEU A 43 4.227 -4.962 -4.483 1.00 15.31 C ATOM 702 C LEU A 43 3.710 -6.396 -4.482 1.00 64.31 C ATOM 703 O LEU A 43 4.116 -7.212 -3.655 1.00 73.33 O ATOM 704 CB LEU A 43 3.676 -4.209 -3.270 1.00 43.14 C ATOM 705 CG LEU A 43 4.649 -4.003 -2.109 1.00 64.02 C ATOM 706 CD1 LEU A 43 3.940 -3.366 -0.924 1.00 51.34 C ATOM 707 CD2 LEU A 43 5.284 -5.326 -1.705 1.00 1.12 C ATOM 0 H LEU A 43 2.950 -3.805 -5.680 1.00 62.23 H new ATOM 0 HA LEU A 43 5.315 -4.988 -4.425 1.00 15.31 H new ATOM 0 HB2 LEU A 43 3.326 -3.232 -3.602 1.00 43.14 H new ATOM 0 HB3 LEU A 43 2.806 -4.749 -2.897 1.00 43.14 H new ATOM 0 HG LEU A 43 5.439 -3.328 -2.438 1.00 64.02 H new ATOM 0 HD11 LEU A 43 4.649 -3.227 -0.108 1.00 51.34 H new ATOM 0 HD12 LEU A 43 3.534 -2.399 -1.220 1.00 51.34 H new ATOM 0 HD13 LEU A 43 3.129 -4.015 -0.594 1.00 51.34 H new ATOM 0 HD21 LEU A 43 5.974 -5.161 -0.877 1.00 1.12 H new ATOM 0 HD22 LEU A 43 4.506 -6.023 -1.395 1.00 1.12 H new ATOM 0 HD23 LEU A 43 5.828 -5.742 -2.553 1.00 1.12 H new ATOM 719 N ALA A 44 2.814 -6.697 -5.416 1.00 74.51 N ATOM 720 CA ALA A 44 2.245 -8.035 -5.526 1.00 52.23 C ATOM 721 C ALA A 44 3.340 -9.095 -5.573 1.00 21.52 C ATOM 722 O ALA A 44 3.118 -10.249 -5.204 1.00 70.30 O ATOM 723 CB ALA A 44 1.360 -8.133 -6.760 1.00 43.33 C ATOM 0 H ALA A 44 2.466 -6.033 -6.107 1.00 74.51 H new ATOM 0 HA ALA A 44 1.636 -8.218 -4.640 1.00 52.23 H new ATOM 0 HB1 ALA A 44 0.942 -9.137 -6.829 1.00 43.33 H new ATOM 0 HB2 ALA A 44 0.550 -7.407 -6.685 1.00 43.33 H new ATOM 0 HB3 ALA A 44 1.953 -7.925 -7.651 1.00 43.33 H new ATOM 729 N LYS A 45 4.523 -8.697 -6.028 1.00 62.34 N ATOM 730 CA LYS A 45 5.654 -9.612 -6.122 1.00 74.34 C ATOM 731 C LYS A 45 5.923 -10.286 -4.781 1.00 33.44 C ATOM 732 O LYS A 45 6.479 -11.383 -4.727 1.00 42.42 O ATOM 733 CB LYS A 45 6.905 -8.864 -6.589 1.00 34.12 C ATOM 734 CG LYS A 45 7.642 -9.557 -7.721 1.00 72.24 C ATOM 735 CD LYS A 45 9.050 -9.013 -7.886 1.00 2.24 C ATOM 736 CE LYS A 45 9.087 -7.848 -8.863 1.00 63.12 C ATOM 737 NZ LYS A 45 10.370 -7.096 -8.782 1.00 62.44 N ATOM 0 H LYS A 45 4.723 -7.746 -6.338 1.00 62.34 H new ATOM 0 HA LYS A 45 5.405 -10.382 -6.852 1.00 74.34 H new ATOM 0 HB2 LYS A 45 6.620 -7.863 -6.912 1.00 34.12 H new ATOM 0 HB3 LYS A 45 7.583 -8.745 -5.744 1.00 34.12 H new ATOM 0 HG2 LYS A 45 7.686 -10.628 -7.526 1.00 72.24 H new ATOM 0 HG3 LYS A 45 7.089 -9.425 -8.651 1.00 72.24 H new ATOM 0 HD2 LYS A 45 9.432 -8.689 -6.918 1.00 2.24 H new ATOM 0 HD3 LYS A 45 9.709 -9.806 -8.239 1.00 2.24 H new ATOM 0 HE2 LYS A 45 8.948 -8.221 -9.878 1.00 63.12 H new ATOM 0 HE3 LYS A 45 8.257 -7.173 -8.655 1.00 63.12 H new ATOM 0 HZ1 LYS A 45 10.355 -6.310 -9.463 1.00 62.44 H new ATOM 0 HZ2 LYS A 45 10.491 -6.718 -7.821 1.00 62.44 H new ATOM 0 HZ3 LYS A 45 11.161 -7.733 -9.006 1.00 62.44 H new ATOM 751 N GLU A 46 5.521 -9.624 -3.700 1.00 75.10 N ATOM 752 CA GLU A 46 5.719 -10.160 -2.358 1.00 73.14 C ATOM 753 C GLU A 46 4.450 -10.841 -1.853 1.00 0.41 C ATOM 754 O GLU A 46 4.182 -10.865 -0.652 1.00 41.14 O ATOM 755 CB GLU A 46 6.132 -9.046 -1.396 1.00 22.02 C ATOM 756 CG GLU A 46 7.442 -8.373 -1.771 1.00 33.03 C ATOM 757 CD GLU A 46 8.649 -9.243 -1.481 1.00 4.10 C ATOM 758 OE1 GLU A 46 9.094 -9.273 -0.315 1.00 64.33 O ATOM 759 OE2 GLU A 46 9.149 -9.895 -2.422 1.00 53.43 O ATOM 0 H GLU A 46 5.057 -8.716 -3.727 1.00 75.10 H new ATOM 0 HA GLU A 46 6.516 -10.903 -2.404 1.00 73.14 H new ATOM 0 HB2 GLU A 46 5.343 -8.294 -1.364 1.00 22.02 H new ATOM 0 HB3 GLU A 46 6.220 -9.459 -0.391 1.00 22.02 H new ATOM 0 HG2 GLU A 46 7.426 -8.122 -2.832 1.00 33.03 H new ATOM 0 HG3 GLU A 46 7.534 -7.436 -1.223 1.00 33.03 H new ATOM 766 N GLY A 47 3.670 -11.391 -2.779 1.00 23.24 N ATOM 767 CA GLY A 47 2.439 -12.064 -2.408 1.00 15.52 C ATOM 768 C GLY A 47 1.533 -11.190 -1.562 1.00 4.13 C ATOM 769 O GLY A 47 1.053 -11.616 -0.511 1.00 3.12 O ATOM 0 H GLY A 47 3.869 -11.382 -3.779 1.00 23.24 H new ATOM 0 HA2 GLY A 47 1.908 -12.367 -3.310 1.00 15.52 H new ATOM 0 HA3 GLY A 47 2.678 -12.974 -1.858 1.00 15.52 H new ATOM 773 N VAL A 48 1.302 -9.964 -2.019 1.00 12.03 N ATOM 774 CA VAL A 48 0.449 -9.027 -1.296 1.00 74.05 C ATOM 775 C VAL A 48 -1.025 -9.291 -1.585 1.00 61.34 C ATOM 776 O VAL A 48 -1.394 -9.665 -2.699 1.00 2.34 O ATOM 777 CB VAL A 48 0.779 -7.568 -1.664 1.00 71.44 C ATOM 778 CG1 VAL A 48 -0.165 -6.612 -0.954 1.00 1.14 C ATOM 779 CG2 VAL A 48 2.227 -7.250 -1.326 1.00 44.14 C ATOM 0 H VAL A 48 1.693 -9.596 -2.886 1.00 12.03 H new ATOM 0 HA VAL A 48 0.642 -9.178 -0.234 1.00 74.05 H new ATOM 0 HB VAL A 48 0.644 -7.442 -2.738 1.00 71.44 H new ATOM 0 HG11 VAL A 48 0.083 -5.586 -1.226 1.00 1.14 H new ATOM 0 HG12 VAL A 48 -1.192 -6.827 -1.250 1.00 1.14 H new ATOM 0 HG13 VAL A 48 -0.065 -6.736 0.124 1.00 1.14 H new ATOM 0 HG21 VAL A 48 2.444 -6.216 -1.592 1.00 44.14 H new ATOM 0 HG22 VAL A 48 2.391 -7.392 -0.258 1.00 44.14 H new ATOM 0 HG23 VAL A 48 2.886 -7.914 -1.886 1.00 44.14 H new ATOM 789 N VAL A 49 -1.865 -9.095 -0.574 1.00 41.42 N ATOM 790 CA VAL A 49 -3.300 -9.309 -0.719 1.00 20.34 C ATOM 791 C VAL A 49 -3.971 -8.111 -1.380 1.00 40.53 C ATOM 792 O VAL A 49 -3.334 -7.086 -1.622 1.00 73.14 O ATOM 793 CB VAL A 49 -3.969 -9.571 0.643 1.00 30.24 C ATOM 794 CG1 VAL A 49 -3.513 -10.905 1.214 1.00 33.34 C ATOM 795 CG2 VAL A 49 -3.667 -8.437 1.612 1.00 74.33 C ATOM 0 H VAL A 49 -1.576 -8.788 0.355 1.00 41.42 H new ATOM 0 HA VAL A 49 -3.426 -10.187 -1.352 1.00 20.34 H new ATOM 0 HB VAL A 49 -5.048 -9.615 0.495 1.00 30.24 H new ATOM 0 HG11 VAL A 49 -3.996 -11.073 2.177 1.00 33.34 H new ATOM 0 HG12 VAL A 49 -3.784 -11.707 0.527 1.00 33.34 H new ATOM 0 HG13 VAL A 49 -2.431 -10.893 1.348 1.00 33.34 H new ATOM 0 HG21 VAL A 49 -4.148 -8.639 2.569 1.00 74.33 H new ATOM 0 HG22 VAL A 49 -2.589 -8.359 1.756 1.00 74.33 H new ATOM 0 HG23 VAL A 49 -4.047 -7.500 1.205 1.00 74.33 H new ATOM 805 N GLU A 50 -5.262 -8.247 -1.670 1.00 23.05 N ATOM 806 CA GLU A 50 -6.019 -7.174 -2.303 1.00 40.40 C ATOM 807 C GLU A 50 -5.746 -5.838 -1.619 1.00 3.34 C ATOM 808 O GLU A 50 -5.303 -5.778 -0.472 1.00 1.23 O ATOM 809 CB GLU A 50 -7.516 -7.484 -2.263 1.00 74.30 C ATOM 810 CG GLU A 50 -7.976 -8.097 -0.950 1.00 63.14 C ATOM 811 CD GLU A 50 -8.100 -9.606 -1.024 1.00 24.22 C ATOM 812 OE1 GLU A 50 -8.617 -10.111 -2.042 1.00 51.04 O ATOM 813 OE2 GLU A 50 -7.680 -10.283 -0.061 1.00 53.44 O ATOM 0 H GLU A 50 -5.804 -9.089 -1.477 1.00 23.05 H new ATOM 0 HA GLU A 50 -5.698 -7.102 -3.342 1.00 40.40 H new ATOM 0 HB2 GLU A 50 -8.074 -6.564 -2.440 1.00 74.30 H new ATOM 0 HB3 GLU A 50 -7.759 -8.166 -3.078 1.00 74.30 H new ATOM 0 HG2 GLU A 50 -7.270 -7.832 -0.163 1.00 63.14 H new ATOM 0 HG3 GLU A 50 -8.939 -7.670 -0.672 1.00 63.14 H new ATOM 820 N PRO A 51 -6.017 -4.738 -2.338 1.00 51.13 N ATOM 821 CA PRO A 51 -5.809 -3.382 -1.821 1.00 70.13 C ATOM 822 C PRO A 51 -6.800 -3.024 -0.718 1.00 61.15 C ATOM 823 O PRO A 51 -6.567 -2.100 0.061 1.00 75.43 O ATOM 824 CB PRO A 51 -6.033 -2.496 -3.049 1.00 23.41 C ATOM 825 CG PRO A 51 -6.924 -3.296 -3.936 1.00 43.01 C ATOM 826 CD PRO A 51 -6.548 -4.735 -3.711 1.00 41.31 C ATOM 0 HA PRO A 51 -4.825 -3.265 -1.368 1.00 70.13 H new ATOM 0 HB2 PRO A 51 -6.496 -1.548 -2.774 1.00 23.41 H new ATOM 0 HB3 PRO A 51 -5.091 -2.259 -3.544 1.00 23.41 H new ATOM 0 HG2 PRO A 51 -7.973 -3.124 -3.693 1.00 43.01 H new ATOM 0 HG3 PRO A 51 -6.788 -3.016 -4.981 1.00 43.01 H new ATOM 0 HD2 PRO A 51 -7.409 -5.396 -3.810 1.00 41.31 H new ATOM 0 HD3 PRO A 51 -5.803 -5.073 -4.431 1.00 41.31 H new ATOM 834 N GLU A 52 -7.904 -3.761 -0.659 1.00 75.53 N ATOM 835 CA GLU A 52 -8.931 -3.520 0.348 1.00 3.12 C ATOM 836 C GLU A 52 -8.357 -3.667 1.755 1.00 70.01 C ATOM 837 O GLU A 52 -8.743 -2.945 2.674 1.00 24.12 O ATOM 838 CB GLU A 52 -10.101 -4.487 0.160 1.00 61.35 C ATOM 839 CG GLU A 52 -11.459 -3.806 0.154 1.00 2.43 C ATOM 840 CD GLU A 52 -12.236 -4.062 -1.123 1.00 1.44 C ATOM 841 OE1 GLU A 52 -12.783 -5.175 -1.271 1.00 44.22 O ATOM 842 OE2 GLU A 52 -12.297 -3.149 -1.974 1.00 10.15 O ATOM 0 H GLU A 52 -8.111 -4.530 -1.296 1.00 75.53 H new ATOM 0 HA GLU A 52 -9.291 -2.499 0.224 1.00 3.12 H new ATOM 0 HB2 GLU A 52 -9.970 -5.025 -0.779 1.00 61.35 H new ATOM 0 HB3 GLU A 52 -10.080 -5.229 0.958 1.00 61.35 H new ATOM 0 HG2 GLU A 52 -12.041 -4.158 1.006 1.00 2.43 H new ATOM 0 HG3 GLU A 52 -11.323 -2.732 0.283 1.00 2.43 H new ATOM 849 N VAL A 53 -7.433 -4.609 1.915 1.00 63.22 N ATOM 850 CA VAL A 53 -6.805 -4.853 3.208 1.00 22.00 C ATOM 851 C VAL A 53 -5.592 -3.952 3.408 1.00 45.32 C ATOM 852 O VAL A 53 -5.442 -3.315 4.451 1.00 15.41 O ATOM 853 CB VAL A 53 -6.368 -6.323 3.352 1.00 45.31 C ATOM 854 CG1 VAL A 53 -5.768 -6.569 4.728 1.00 73.42 C ATOM 855 CG2 VAL A 53 -7.543 -7.255 3.099 1.00 13.22 C ATOM 0 H VAL A 53 -7.103 -5.216 1.165 1.00 63.22 H new ATOM 0 HA VAL A 53 -7.551 -4.628 3.970 1.00 22.00 H new ATOM 0 HB VAL A 53 -5.602 -6.531 2.605 1.00 45.31 H new ATOM 0 HG11 VAL A 53 -5.465 -7.613 4.812 1.00 73.42 H new ATOM 0 HG12 VAL A 53 -4.898 -5.927 4.866 1.00 73.42 H new ATOM 0 HG13 VAL A 53 -6.510 -6.344 5.494 1.00 73.42 H new ATOM 0 HG21 VAL A 53 -7.216 -8.289 3.205 1.00 13.22 H new ATOM 0 HG22 VAL A 53 -8.333 -7.048 3.821 1.00 13.22 H new ATOM 0 HG23 VAL A 53 -7.923 -7.096 2.090 1.00 13.22 H new ATOM 865 N VAL A 54 -4.726 -3.902 2.401 1.00 64.12 N ATOM 866 CA VAL A 54 -3.525 -3.077 2.464 1.00 31.25 C ATOM 867 C VAL A 54 -3.863 -1.644 2.861 1.00 30.34 C ATOM 868 O VAL A 54 -3.056 -0.956 3.486 1.00 51.31 O ATOM 869 CB VAL A 54 -2.781 -3.062 1.115 1.00 14.13 C ATOM 870 CG1 VAL A 54 -1.552 -2.170 1.193 1.00 52.21 C ATOM 871 CG2 VAL A 54 -2.399 -4.475 0.704 1.00 72.55 C ATOM 0 H VAL A 54 -4.834 -4.423 1.531 1.00 64.12 H new ATOM 0 HA VAL A 54 -2.878 -3.519 3.222 1.00 31.25 H new ATOM 0 HB VAL A 54 -3.448 -2.654 0.355 1.00 14.13 H new ATOM 0 HG11 VAL A 54 -1.039 -2.172 0.231 1.00 52.21 H new ATOM 0 HG12 VAL A 54 -1.856 -1.153 1.440 1.00 52.21 H new ATOM 0 HG13 VAL A 54 -0.879 -2.545 1.964 1.00 52.21 H new ATOM 0 HG21 VAL A 54 -1.874 -4.447 -0.251 1.00 72.55 H new ATOM 0 HG22 VAL A 54 -1.749 -4.911 1.462 1.00 72.55 H new ATOM 0 HG23 VAL A 54 -3.299 -5.081 0.605 1.00 72.55 H new ATOM 881 N ARG A 55 -5.062 -1.201 2.495 1.00 64.43 N ATOM 882 CA ARG A 55 -5.507 0.150 2.813 1.00 43.21 C ATOM 883 C ARG A 55 -5.471 0.394 4.319 1.00 55.42 C ATOM 884 O ARG A 55 -4.740 1.259 4.799 1.00 22.24 O ATOM 885 CB ARG A 55 -6.922 0.382 2.280 1.00 51.42 C ATOM 886 CG ARG A 55 -7.468 1.767 2.587 1.00 51.04 C ATOM 887 CD ARG A 55 -8.593 2.144 1.636 1.00 12.22 C ATOM 888 NE ARG A 55 -9.790 1.336 1.856 1.00 12.44 N ATOM 889 CZ ARG A 55 -10.862 1.382 1.073 1.00 2.24 C ATOM 890 NH1 ARG A 55 -10.887 2.193 0.024 1.00 63.24 N ATOM 891 NH2 ARG A 55 -11.912 0.616 1.338 1.00 72.52 N ATOM 0 H ARG A 55 -5.742 -1.758 1.978 1.00 64.43 H new ATOM 0 HA ARG A 55 -4.826 0.853 2.333 1.00 43.21 H new ATOM 0 HB2 ARG A 55 -6.924 0.231 1.201 1.00 51.42 H new ATOM 0 HB3 ARG A 55 -7.590 -0.366 2.708 1.00 51.42 H new ATOM 0 HG2 ARG A 55 -7.833 1.797 3.614 1.00 51.04 H new ATOM 0 HG3 ARG A 55 -6.665 2.501 2.512 1.00 51.04 H new ATOM 0 HD2 ARG A 55 -8.839 3.198 1.765 1.00 12.22 H new ATOM 0 HD3 ARG A 55 -8.255 2.019 0.607 1.00 12.22 H new ATOM 0 HE ARG A 55 -9.803 0.702 2.655 1.00 12.44 H new ATOM 0 HH11 ARG A 55 -10.082 2.784 -0.183 1.00 63.24 H new ATOM 0 HH12 ARG A 55 -11.712 2.226 -0.575 1.00 63.24 H new ATOM 0 HH21 ARG A 55 -11.897 -0.009 2.144 1.00 72.52 H new ATOM 0 HH22 ARG A 55 -12.735 0.652 0.736 1.00 72.52 H new ATOM 905 N GLN A 56 -6.267 -0.374 5.056 1.00 51.44 N ATOM 906 CA GLN A 56 -6.328 -0.239 6.506 1.00 2.31 C ATOM 907 C GLN A 56 -4.944 -0.399 7.126 1.00 52.41 C ATOM 908 O GLN A 56 -4.677 0.114 8.213 1.00 3.42 O ATOM 909 CB GLN A 56 -7.287 -1.275 7.097 1.00 54.34 C ATOM 910 CG GLN A 56 -7.558 -1.078 8.579 1.00 2.34 C ATOM 911 CD GLN A 56 -8.344 0.187 8.866 1.00 21.13 C ATOM 912 OE1 GLN A 56 -9.575 0.178 8.869 1.00 1.12 O ATOM 913 NE2 GLN A 56 -7.634 1.283 9.109 1.00 33.24 N ATOM 0 H GLN A 56 -6.878 -1.095 4.673 1.00 51.44 H new ATOM 0 HA GLN A 56 -6.697 0.760 6.737 1.00 2.31 H new ATOM 0 HB2 GLN A 56 -8.232 -1.234 6.555 1.00 54.34 H new ATOM 0 HB3 GLN A 56 -6.873 -2.271 6.941 1.00 54.34 H new ATOM 0 HG2 GLN A 56 -8.108 -1.938 8.961 1.00 2.34 H new ATOM 0 HG3 GLN A 56 -6.610 -1.042 9.116 1.00 2.34 H new ATOM 0 HE21 GLN A 56 -6.615 1.244 9.096 1.00 33.24 H new ATOM 0 HE22 GLN A 56 -8.108 2.164 9.309 1.00 33.24 H new ATOM 922 N ILE A 57 -4.068 -1.114 6.428 1.00 23.02 N ATOM 923 CA ILE A 57 -2.711 -1.341 6.911 1.00 14.43 C ATOM 924 C ILE A 57 -1.851 -0.093 6.738 1.00 32.43 C ATOM 925 O ILE A 57 -1.202 0.361 7.681 1.00 23.41 O ATOM 926 CB ILE A 57 -2.041 -2.517 6.176 1.00 14.12 C ATOM 927 CG1 ILE A 57 -2.841 -3.804 6.394 1.00 44.12 C ATOM 928 CG2 ILE A 57 -0.607 -2.692 6.652 1.00 30.11 C ATOM 929 CD1 ILE A 57 -2.865 -4.264 7.835 1.00 42.03 C ATOM 0 H ILE A 57 -4.273 -1.546 5.527 1.00 23.02 H new ATOM 0 HA ILE A 57 -2.789 -1.583 7.971 1.00 14.43 H new ATOM 0 HB ILE A 57 -2.024 -2.297 5.109 1.00 14.12 H new ATOM 0 HG12 ILE A 57 -3.865 -3.648 6.054 1.00 44.12 H new ATOM 0 HG13 ILE A 57 -2.417 -4.595 5.776 1.00 44.12 H new ATOM 0 HG21 ILE A 57 -0.147 -3.527 6.123 1.00 30.11 H new ATOM 0 HG22 ILE A 57 -0.043 -1.781 6.451 1.00 30.11 H new ATOM 0 HG23 ILE A 57 -0.601 -2.894 7.723 1.00 30.11 H new ATOM 0 HD11 ILE A 57 -3.449 -5.181 7.915 1.00 42.03 H new ATOM 0 HD12 ILE A 57 -1.846 -4.453 8.174 1.00 42.03 H new ATOM 0 HD13 ILE A 57 -3.317 -3.491 8.456 1.00 42.03 H new ATOM 941 N ALA A 58 -1.853 0.457 5.529 1.00 1.34 N ATOM 942 CA ALA A 58 -1.075 1.655 5.234 1.00 15.33 C ATOM 943 C ALA A 58 -1.530 2.830 6.094 1.00 41.12 C ATOM 944 O ALA A 58 -0.804 3.811 6.256 1.00 3.01 O ATOM 945 CB ALA A 58 -1.185 2.006 3.758 1.00 72.42 C ATOM 0 H ALA A 58 -2.384 0.093 4.738 1.00 1.34 H new ATOM 0 HA ALA A 58 -0.031 1.448 5.470 1.00 15.33 H new ATOM 0 HB1 ALA A 58 -0.599 2.902 3.552 1.00 72.42 H new ATOM 0 HB2 ALA A 58 -0.805 1.179 3.158 1.00 72.42 H new ATOM 0 HB3 ALA A 58 -2.229 2.189 3.504 1.00 72.42 H new ATOM 951 N ILE A 59 -2.736 2.725 6.641 1.00 15.04 N ATOM 952 CA ILE A 59 -3.287 3.778 7.484 1.00 50.30 C ATOM 953 C ILE A 59 -2.753 3.679 8.909 1.00 1.02 C ATOM 954 O ILE A 59 -2.339 4.677 9.501 1.00 62.41 O ATOM 955 CB ILE A 59 -4.825 3.725 7.520 1.00 32.24 C ATOM 956 CG1 ILE A 59 -5.397 3.895 6.111 1.00 25.20 C ATOM 957 CG2 ILE A 59 -5.372 4.796 8.452 1.00 23.31 C ATOM 958 CD1 ILE A 59 -6.735 3.217 5.915 1.00 33.12 C ATOM 0 H ILE A 59 -3.351 1.921 6.515 1.00 15.04 H new ATOM 0 HA ILE A 59 -2.975 4.726 7.047 1.00 50.30 H new ATOM 0 HB ILE A 59 -5.130 2.750 7.901 1.00 32.24 H new ATOM 0 HG12 ILE A 59 -5.503 4.958 5.897 1.00 25.20 H new ATOM 0 HG13 ILE A 59 -4.686 3.494 5.388 1.00 25.20 H new ATOM 0 HG21 ILE A 59 -6.461 4.745 8.466 1.00 23.31 H new ATOM 0 HG22 ILE A 59 -4.988 4.633 9.459 1.00 23.31 H new ATOM 0 HG23 ILE A 59 -5.060 5.779 8.100 1.00 23.31 H new ATOM 0 HD11 ILE A 59 -7.079 3.380 4.894 1.00 33.12 H new ATOM 0 HD12 ILE A 59 -6.631 2.147 6.097 1.00 33.12 H new ATOM 0 HD13 ILE A 59 -7.460 3.635 6.613 1.00 33.12 H new ATOM 970 N THR A 60 -2.762 2.467 9.455 1.00 44.33 N ATOM 971 CA THR A 60 -2.278 2.236 10.810 1.00 2.25 C ATOM 972 C THR A 60 -0.774 1.986 10.821 1.00 65.10 C ATOM 973 O THR A 60 -0.172 1.810 11.881 1.00 74.42 O ATOM 974 CB THR A 60 -2.990 1.037 11.464 1.00 12.15 C ATOM 975 OG1 THR A 60 -2.602 0.927 12.838 1.00 1.24 O ATOM 976 CG2 THR A 60 -2.659 -0.255 10.734 1.00 52.11 C ATOM 0 H THR A 60 -3.099 1.630 8.979 1.00 44.33 H new ATOM 0 HA THR A 60 -2.499 3.137 11.382 1.00 2.25 H new ATOM 0 HB THR A 60 -4.065 1.204 11.402 1.00 12.15 H new ATOM 0 HG1 THR A 60 -1.663 1.190 12.935 1.00 1.24 H new ATOM 0 HG21 THR A 60 -3.174 -1.087 11.215 1.00 52.11 H new ATOM 0 HG22 THR A 60 -2.983 -0.179 9.696 1.00 52.11 H new ATOM 0 HG23 THR A 60 -1.583 -0.426 10.767 1.00 52.11 H new ATOM 984 N ARG A 61 -0.172 1.973 9.637 1.00 13.12 N ATOM 985 CA ARG A 61 1.263 1.744 9.511 1.00 12.21 C ATOM 986 C ARG A 61 1.958 2.969 8.924 1.00 42.04 C ATOM 987 O ARG A 61 2.946 3.458 9.474 1.00 10.52 O ATOM 988 CB ARG A 61 1.530 0.522 8.632 1.00 62.53 C ATOM 989 CG ARG A 61 0.985 -0.775 9.209 1.00 54.20 C ATOM 990 CD ARG A 61 1.695 -1.153 10.499 1.00 10.10 C ATOM 991 NE ARG A 61 3.098 -1.489 10.273 1.00 30.41 N ATOM 992 CZ ARG A 61 3.980 -1.657 11.252 1.00 12.40 C ATOM 993 NH1 ARG A 61 3.606 -1.521 12.516 1.00 1.24 N ATOM 994 NH2 ARG A 61 5.240 -1.962 10.966 1.00 14.34 N ATOM 0 H ARG A 61 -0.655 2.118 8.751 1.00 13.12 H new ATOM 0 HA ARG A 61 1.666 1.561 10.507 1.00 12.21 H new ATOM 0 HB2 ARG A 61 1.087 0.687 7.650 1.00 62.53 H new ATOM 0 HB3 ARG A 61 2.605 0.420 8.483 1.00 62.53 H new ATOM 0 HG2 ARG A 61 -0.083 -0.670 9.398 1.00 54.20 H new ATOM 0 HG3 ARG A 61 1.102 -1.576 8.480 1.00 54.20 H new ATOM 0 HD2 ARG A 61 1.630 -0.325 11.205 1.00 10.10 H new ATOM 0 HD3 ARG A 61 1.188 -2.003 10.956 1.00 10.10 H new ATOM 0 HE ARG A 61 3.418 -1.601 9.311 1.00 30.41 H new ATOM 0 HH11 ARG A 61 2.639 -1.287 12.739 1.00 1.24 H new ATOM 0 HH12 ARG A 61 4.285 -1.651 13.266 1.00 1.24 H new ATOM 0 HH21 ARG A 61 5.531 -2.067 9.994 1.00 14.34 H new ATOM 0 HH22 ARG A 61 5.917 -2.091 11.718 1.00 14.34 H new ATOM 1008 N LEU A 62 1.439 3.458 7.803 1.00 61.02 N ATOM 1009 CA LEU A 62 2.010 4.625 7.140 1.00 70.33 C ATOM 1010 C LEU A 62 1.284 5.898 7.557 1.00 13.45 C ATOM 1011 O LEU A 62 1.500 6.967 6.984 1.00 74.45 O ATOM 1012 CB LEU A 62 1.940 4.458 5.621 1.00 55.12 C ATOM 1013 CG LEU A 62 3.277 4.265 4.905 1.00 75.24 C ATOM 1014 CD1 LEU A 62 3.059 4.076 3.411 1.00 61.11 C ATOM 1015 CD2 LEU A 62 4.198 5.447 5.166 1.00 63.24 C ATOM 0 H LEU A 62 0.623 3.064 7.334 1.00 61.02 H new ATOM 0 HA LEU A 62 3.054 4.709 7.442 1.00 70.33 H new ATOM 0 HB2 LEU A 62 1.304 3.601 5.399 1.00 55.12 H new ATOM 0 HB3 LEU A 62 1.449 5.336 5.201 1.00 55.12 H new ATOM 0 HG LEU A 62 3.752 3.367 5.299 1.00 75.24 H new ATOM 0 HD11 LEU A 62 4.021 3.940 2.917 1.00 61.11 H new ATOM 0 HD12 LEU A 62 2.437 3.197 3.242 1.00 61.11 H new ATOM 0 HD13 LEU A 62 2.562 4.956 3.002 1.00 61.11 H new ATOM 0 HD21 LEU A 62 5.145 5.292 4.648 1.00 63.24 H new ATOM 0 HD22 LEU A 62 3.730 6.361 4.800 1.00 63.24 H new ATOM 0 HD23 LEU A 62 4.380 5.537 6.237 1.00 63.24 H new ATOM 1027 N LYS A 63 0.422 5.779 8.562 1.00 10.43 N ATOM 1028 CA LYS A 63 -0.335 6.922 9.061 1.00 72.25 C ATOM 1029 C LYS A 63 -1.032 7.653 7.918 1.00 1.20 C ATOM 1030 O LYS A 63 -1.245 8.864 7.981 1.00 5.20 O ATOM 1031 CB LYS A 63 0.588 7.885 9.809 1.00 42.15 C ATOM 1032 CG LYS A 63 0.914 7.441 11.224 1.00 12.21 C ATOM 1033 CD LYS A 63 0.247 8.335 12.257 1.00 42.52 C ATOM 1034 CE LYS A 63 -0.149 7.553 13.498 1.00 33.34 C ATOM 1035 NZ LYS A 63 0.797 7.783 14.625 1.00 11.13 N ATOM 0 H LYS A 63 0.230 4.902 9.047 1.00 10.43 H new ATOM 0 HA LYS A 63 -1.095 6.550 9.749 1.00 72.25 H new ATOM 0 HB2 LYS A 63 1.517 7.994 9.249 1.00 42.15 H new ATOM 0 HB3 LYS A 63 0.120 8.869 9.845 1.00 42.15 H new ATOM 0 HG2 LYS A 63 0.587 6.411 11.368 1.00 12.21 H new ATOM 0 HG3 LYS A 63 1.994 7.456 11.371 1.00 12.21 H new ATOM 0 HD2 LYS A 63 0.926 9.141 12.535 1.00 42.52 H new ATOM 0 HD3 LYS A 63 -0.637 8.800 11.821 1.00 42.52 H new ATOM 0 HE2 LYS A 63 -1.155 7.842 13.804 1.00 33.34 H new ATOM 0 HE3 LYS A 63 -0.181 6.489 13.262 1.00 33.34 H new ATOM 0 HZ1 LYS A 63 0.492 7.232 15.452 1.00 11.13 H new ATOM 0 HZ2 LYS A 63 1.752 7.484 14.343 1.00 11.13 H new ATOM 0 HZ3 LYS A 63 0.809 8.794 14.868 1.00 11.13 H new ATOM 1049 N TRP A 64 -1.386 6.910 6.875 1.00 42.21 N ATOM 1050 CA TRP A 64 -2.061 7.489 5.718 1.00 1.02 C ATOM 1051 C TRP A 64 -3.421 8.056 6.109 1.00 73.43 C ATOM 1052 O TRP A 64 -4.081 7.545 7.014 1.00 22.31 O ATOM 1053 CB TRP A 64 -2.228 6.437 4.621 1.00 2.31 C ATOM 1054 CG TRP A 64 -2.756 6.999 3.335 1.00 12.13 C ATOM 1055 CD1 TRP A 64 -2.159 7.939 2.545 1.00 32.42 C ATOM 1056 CD2 TRP A 64 -3.989 6.658 2.694 1.00 33.24 C ATOM 1057 NE1 TRP A 64 -2.947 8.202 1.451 1.00 55.23 N ATOM 1058 CE2 TRP A 64 -4.075 7.428 1.518 1.00 14.14 C ATOM 1059 CE3 TRP A 64 -5.029 5.774 2.998 1.00 52.33 C ATOM 1060 CZ2 TRP A 64 -5.159 7.341 0.649 1.00 13.54 C ATOM 1061 CZ3 TRP A 64 -6.105 5.689 2.134 1.00 43.10 C ATOM 1062 CH2 TRP A 64 -6.163 6.468 0.971 1.00 45.02 C ATOM 0 H TRP A 64 -1.217 5.906 6.806 1.00 42.21 H new ATOM 0 HA TRP A 64 -1.445 8.304 5.338 1.00 1.02 H new ATOM 0 HB2 TRP A 64 -1.265 5.962 4.433 1.00 2.31 H new ATOM 0 HB3 TRP A 64 -2.904 5.658 4.974 1.00 2.31 H new ATOM 0 HD1 TRP A 64 -1.207 8.407 2.750 1.00 32.42 H new ATOM 0 HE1 TRP A 64 -2.728 8.866 0.709 1.00 55.23 H new ATOM 0 HE3 TRP A 64 -4.992 5.169 3.892 1.00 52.33 H new ATOM 0 HZ2 TRP A 64 -5.206 7.941 -0.248 1.00 13.54 H new ATOM 0 HZ3 TRP A 64 -6.915 5.011 2.359 1.00 43.10 H new ATOM 0 HH2 TRP A 64 -7.017 6.378 0.316 1.00 45.02 H new ATOM 1073 N VAL A 65 -3.837 9.113 5.421 1.00 52.41 N ATOM 1074 CA VAL A 65 -5.121 9.748 5.696 1.00 52.45 C ATOM 1075 C VAL A 65 -5.803 10.188 4.405 1.00 13.30 C ATOM 1076 O VAL A 65 -5.269 11.005 3.656 1.00 33.12 O ATOM 1077 CB VAL A 65 -4.957 10.970 6.618 1.00 12.14 C ATOM 1078 CG1 VAL A 65 -4.669 10.528 8.045 1.00 71.43 C ATOM 1079 CG2 VAL A 65 -3.855 11.884 6.101 1.00 21.25 C ATOM 0 H VAL A 65 -3.304 9.549 4.668 1.00 52.41 H new ATOM 0 HA VAL A 65 -5.741 9.005 6.197 1.00 52.45 H new ATOM 0 HB VAL A 65 -5.892 11.531 6.619 1.00 12.14 H new ATOM 0 HG11 VAL A 65 -4.556 11.405 8.682 1.00 71.43 H new ATOM 0 HG12 VAL A 65 -5.495 9.918 8.411 1.00 71.43 H new ATOM 0 HG13 VAL A 65 -3.749 9.944 8.066 1.00 71.43 H new ATOM 0 HG21 VAL A 65 -3.753 12.742 6.765 1.00 21.25 H new ATOM 0 HG22 VAL A 65 -2.913 11.336 6.069 1.00 21.25 H new ATOM 0 HG23 VAL A 65 -4.109 12.229 5.099 1.00 21.25 H new ATOM 1089 N GLU A 66 -6.988 9.640 4.152 1.00 21.42 N ATOM 1090 CA GLU A 66 -7.743 9.976 2.951 1.00 75.05 C ATOM 1091 C GLU A 66 -7.880 11.488 2.799 1.00 63.12 C ATOM 1092 O GLU A 66 -7.732 12.249 3.755 1.00 63.20 O ATOM 1093 CB GLU A 66 -9.131 9.330 2.997 1.00 43.44 C ATOM 1094 CG GLU A 66 -9.156 7.904 2.472 1.00 4.21 C ATOM 1095 CD GLU A 66 -9.363 6.881 3.572 1.00 62.01 C ATOM 1096 OE1 GLU A 66 -10.128 7.173 4.516 1.00 72.24 O ATOM 1097 OE2 GLU A 66 -8.760 5.791 3.490 1.00 75.12 O ATOM 0 H GLU A 66 -7.445 8.962 4.762 1.00 21.42 H new ATOM 0 HA GLU A 66 -7.197 9.589 2.090 1.00 75.05 H new ATOM 0 HB2 GLU A 66 -9.491 9.336 4.026 1.00 43.44 H new ATOM 0 HB3 GLU A 66 -9.824 9.936 2.413 1.00 43.44 H new ATOM 0 HG2 GLU A 66 -9.953 7.806 1.735 1.00 4.21 H new ATOM 0 HG3 GLU A 66 -8.218 7.694 1.957 1.00 4.21 H new ATOM 1104 N PRO A 67 -8.167 11.935 1.568 1.00 75.40 N ATOM 1105 CA PRO A 67 -8.330 13.359 1.260 1.00 14.35 C ATOM 1106 C PRO A 67 -9.596 13.945 1.876 1.00 74.42 C ATOM 1107 O PRO A 67 -10.608 13.255 2.013 1.00 62.22 O ATOM 1108 CB PRO A 67 -8.417 13.384 -0.268 1.00 21.10 C ATOM 1109 CG PRO A 67 -8.921 12.032 -0.641 1.00 12.43 C ATOM 1110 CD PRO A 67 -8.358 11.084 0.380 1.00 1.34 C ATOM 0 HA PRO A 67 -7.514 13.959 1.664 1.00 14.35 H new ATOM 0 HB2 PRO A 67 -9.092 14.167 -0.613 1.00 21.10 H new ATOM 0 HB3 PRO A 67 -7.443 13.581 -0.717 1.00 21.10 H new ATOM 0 HG2 PRO A 67 -10.011 12.007 -0.637 1.00 12.43 H new ATOM 0 HG3 PRO A 67 -8.599 11.759 -1.646 1.00 12.43 H new ATOM 0 HD2 PRO A 67 -9.041 10.259 0.582 1.00 1.34 H new ATOM 0 HD3 PRO A 67 -7.418 10.645 0.045 1.00 1.34 H new TER 1118 PRO A 67