USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 272 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 7 THR OG1 : rot 160:sc= 0.913 USER MOD Single : A 13 THR OG1 : rot 132:sc= 1.35 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 2.39 (180deg=1.73) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 134:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 14.549 -1.249 -0.217 1.00 0.00 N ATOM 46 CA VAL A 5 14.445 0.186 -0.477 1.00 0.00 C ATOM 47 C VAL A 5 13.037 0.515 -0.989 1.00 0.00 C ATOM 48 O VAL A 5 12.463 -0.223 -1.797 1.00 0.00 O ATOM 49 CB VAL A 5 15.565 0.656 -1.436 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.599 2.188 -1.557 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.957 0.197 -0.962 1.00 0.00 C ATOM 0 HA VAL A 5 14.592 0.740 0.450 1.00 0.00 H new ATOM 0 HB VAL A 5 15.335 0.206 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.398 2.482 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.644 2.544 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.780 2.627 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.714 0.548 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.159 0.609 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.984 -0.892 -0.913 1.00 0.00 H new ATOM 61 N ARG A 6 12.495 1.641 -0.521 1.00 0.00 N ATOM 62 CA ARG A 6 11.212 2.198 -0.933 1.00 0.00 C ATOM 63 C ARG A 6 11.344 3.718 -0.930 1.00 0.00 C ATOM 64 O ARG A 6 12.298 4.244 -0.357 1.00 0.00 O ATOM 65 CB ARG A 6 10.091 1.698 0.002 1.00 0.00 C ATOM 66 CG ARG A 6 10.147 2.262 1.436 1.00 0.00 C ATOM 67 CD ARG A 6 9.109 1.565 2.324 1.00 0.00 C ATOM 68 NE ARG A 6 8.968 2.228 3.633 1.00 0.00 N ATOM 69 CZ ARG A 6 7.960 3.016 4.026 1.00 0.00 C ATOM 70 NH1 ARG A 6 7.007 3.392 3.175 1.00 0.00 N ATOM 71 NH2 ARG A 6 7.910 3.423 5.288 1.00 0.00 N ATOM 0 H ARG A 6 12.961 2.211 0.185 1.00 0.00 H new ATOM 0 HA ARG A 6 10.942 1.871 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.128 1.956 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.137 0.610 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.145 2.120 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.959 3.336 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.145 1.557 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.400 0.525 2.474 1.00 0.00 H new ATOM 0 HE ARG A 6 9.715 2.070 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.037 3.079 2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.247 3.993 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.634 3.135 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.147 4.024 5.600 1.00 0.00 H new ATOM 85 N THR A 7 10.381 4.416 -1.516 1.00 0.00 N ATOM 86 CA THR A 7 10.333 5.873 -1.572 1.00 0.00 C ATOM 87 C THR A 7 8.971 6.308 -1.037 1.00 0.00 C ATOM 88 O THR A 7 7.996 5.551 -1.085 1.00 0.00 O ATOM 89 CB THR A 7 10.587 6.344 -3.020 1.00 0.00 C ATOM 90 OG1 THR A 7 11.671 5.623 -3.585 1.00 0.00 O ATOM 91 CG2 THR A 7 10.952 7.827 -3.119 1.00 0.00 C ATOM 0 H THR A 7 9.588 3.973 -1.979 1.00 0.00 H new ATOM 0 HA THR A 7 11.109 6.330 -0.958 1.00 0.00 H new ATOM 0 HB THR A 7 9.651 6.170 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.628 5.680 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.117 8.092 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.138 8.430 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.861 8.017 -2.548 1.00 0.00 H new ATOM 99 N ILE A 8 8.926 7.526 -0.504 1.00 0.00 N ATOM 100 CA ILE A 8 7.765 8.092 0.177 1.00 0.00 C ATOM 101 C ILE A 8 7.443 9.445 -0.471 1.00 0.00 C ATOM 102 O ILE A 8 8.240 9.949 -1.265 1.00 0.00 O ATOM 103 CB ILE A 8 8.026 8.157 1.706 1.00 0.00 C ATOM 104 CG1 ILE A 8 8.945 9.324 2.107 1.00 0.00 C ATOM 105 CG2 ILE A 8 8.616 6.828 2.219 1.00 0.00 C ATOM 106 CD1 ILE A 8 9.024 9.488 3.624 1.00 0.00 C ATOM 0 H ILE A 8 9.720 8.165 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 8 6.882 7.463 0.064 1.00 0.00 H new ATOM 0 HB ILE A 8 7.057 8.330 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.945 9.154 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.576 10.247 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.790 6.898 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.916 6.017 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.559 6.628 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.683 10.322 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.028 9.685 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.418 8.574 4.069 1.00 0.00 H new ATOM 118 N TRP A 9 6.306 10.054 -0.137 1.00 0.00 N ATOM 119 CA TRP A 9 5.893 11.327 -0.718 1.00 0.00 C ATOM 120 C TRP A 9 5.163 12.116 0.372 1.00 0.00 C ATOM 121 O TRP A 9 3.932 12.161 0.413 1.00 0.00 O ATOM 122 CB TRP A 9 5.084 11.083 -2.013 1.00 0.00 C ATOM 123 CG TRP A 9 5.480 11.922 -3.194 1.00 0.00 C ATOM 124 CD1 TRP A 9 5.939 11.429 -4.367 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.481 13.378 -3.352 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.194 12.460 -5.244 1.00 0.00 N ATOM 127 CE2 TRP A 9 5.935 13.688 -4.673 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.160 14.475 -2.518 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.045 15.005 -5.144 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.292 15.802 -2.974 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.724 16.068 -4.286 1.00 0.00 C ATOM 0 H TRP A 9 5.647 9.677 0.544 1.00 0.00 H new ATOM 0 HA TRP A 9 6.739 11.934 -1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.180 10.033 -2.288 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.030 11.261 -1.801 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.084 10.381 -4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.532 12.331 -6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.807 14.292 -1.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.373 15.198 -6.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.059 16.622 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.808 17.088 -4.632 1.00 0.00 H new ATOM 142 N VAL A 10 5.930 12.675 1.313 1.00 0.00 N ATOM 143 CA VAL A 10 5.393 13.346 2.497 1.00 0.00 C ATOM 144 C VAL A 10 5.950 14.764 2.582 1.00 0.00 C ATOM 145 O VAL A 10 7.061 15.047 2.120 1.00 0.00 O ATOM 146 CB VAL A 10 5.658 12.511 3.775 1.00 0.00 C ATOM 147 CG1 VAL A 10 5.070 11.095 3.666 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.146 12.406 4.127 1.00 0.00 C ATOM 0 H VAL A 10 6.949 12.674 1.272 1.00 0.00 H new ATOM 0 HA VAL A 10 4.309 13.428 2.412 1.00 0.00 H new ATOM 0 HB VAL A 10 5.156 13.053 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.278 10.543 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.992 11.159 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.522 10.577 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.265 11.809 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.682 11.930 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.551 13.404 4.295 1.00 0.00 H new ATOM 158 N GLY A 11 5.196 15.652 3.225 1.00 0.00 N ATOM 159 CA GLY A 11 5.521 17.067 3.360 1.00 0.00 C ATOM 160 C GLY A 11 6.514 17.336 4.492 1.00 0.00 C ATOM 161 O GLY A 11 6.415 18.371 5.148 1.00 0.00 O ATOM 0 H GLY A 11 4.318 15.399 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.938 17.432 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.606 17.631 3.542 1.00 0.00 H new ATOM 165 N GLY A 12 7.446 16.407 4.748 1.00 0.00 N ATOM 166 CA GLY A 12 8.360 16.460 5.888 1.00 0.00 C ATOM 167 C GLY A 12 7.599 16.593 7.209 1.00 0.00 C ATOM 168 O GLY A 12 7.992 17.377 8.071 1.00 0.00 O ATOM 0 H GLY A 12 7.585 15.587 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.972 15.558 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.040 17.304 5.772 1.00 0.00 H new ATOM 172 N THR A 13 6.467 15.896 7.331 1.00 0.00 N ATOM 173 CA THR A 13 5.508 16.047 8.409 1.00 0.00 C ATOM 174 C THR A 13 6.189 15.728 9.748 1.00 0.00 C ATOM 175 O THR A 13 6.735 14.628 9.883 1.00 0.00 O ATOM 176 CB THR A 13 4.313 15.109 8.135 1.00 0.00 C ATOM 177 OG1 THR A 13 4.105 14.924 6.744 1.00 0.00 O ATOM 178 CG2 THR A 13 3.019 15.636 8.760 1.00 0.00 C ATOM 0 H THR A 13 6.190 15.187 6.652 1.00 0.00 H new ATOM 0 HA THR A 13 5.140 17.072 8.463 1.00 0.00 H new ATOM 0 HB THR A 13 4.566 14.153 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.998 13.969 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.203 14.946 8.543 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.145 15.722 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.786 16.616 8.343 1.00 0.00 H new ATOM 186 N PRO A 14 6.132 16.616 10.759 1.00 0.00 N ATOM 187 CA PRO A 14 6.630 16.331 12.103 1.00 0.00 C ATOM 188 C PRO A 14 6.055 15.052 12.720 1.00 0.00 C ATOM 189 O PRO A 14 6.674 14.479 13.613 1.00 0.00 O ATOM 190 CB PRO A 14 6.259 17.553 12.952 1.00 0.00 C ATOM 191 CG PRO A 14 6.186 18.685 11.932 1.00 0.00 C ATOM 192 CD PRO A 14 5.647 17.989 10.685 1.00 0.00 C ATOM 0 HA PRO A 14 7.705 16.155 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.307 17.412 13.464 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.008 17.751 13.719 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.526 19.486 12.264 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.164 19.132 11.754 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.558 18.019 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.000 18.481 9.779 1.00 0.00 H new ATOM 200 N GLU A 15 4.884 14.600 12.261 1.00 0.00 N ATOM 201 CA GLU A 15 4.191 13.434 12.791 1.00 0.00 C ATOM 202 C GLU A 15 4.561 12.153 12.029 1.00 0.00 C ATOM 203 O GLU A 15 4.136 11.067 12.425 1.00 0.00 O ATOM 204 CB GLU A 15 2.672 13.687 12.770 1.00 0.00 C ATOM 205 CG GLU A 15 2.229 14.828 13.703 1.00 0.00 C ATOM 206 CD GLU A 15 2.441 14.491 15.190 1.00 0.00 C ATOM 207 OE1 GLU A 15 3.571 14.669 15.700 1.00 0.00 O ATOM 208 OE2 GLU A 15 1.477 14.057 15.862 1.00 0.00 O ATOM 0 H GLU A 15 4.385 15.049 11.493 1.00 0.00 H new ATOM 0 HA GLU A 15 4.509 13.280 13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.364 13.921 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.155 12.771 13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.786 15.732 13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.175 15.046 13.530 1.00 0.00 H new ATOM 215 N GLU A 16 5.366 12.254 10.963 1.00 0.00 N ATOM 216 CA GLU A 16 5.773 11.113 10.139 1.00 0.00 C ATOM 217 C GLU A 16 7.285 10.944 10.219 1.00 0.00 C ATOM 218 O GLU A 16 7.766 9.820 10.350 1.00 0.00 O ATOM 219 CB GLU A 16 5.278 11.283 8.695 1.00 0.00 C ATOM 220 CG GLU A 16 3.745 11.313 8.658 1.00 0.00 C ATOM 221 CD GLU A 16 3.197 11.380 7.223 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.167 12.487 6.641 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.762 10.334 6.689 1.00 0.00 O ATOM 0 H GLU A 16 5.756 13.142 10.647 1.00 0.00 H new ATOM 0 HA GLU A 16 5.313 10.201 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.677 12.205 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.648 10.464 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.354 10.424 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.387 12.174 9.222 1.00 0.00 H new ATOM 230 N LEU A 17 8.035 12.051 10.279 1.00 0.00 N ATOM 231 CA LEU A 17 9.469 12.067 10.577 1.00 0.00 C ATOM 232 C LEU A 17 9.799 11.195 11.791 1.00 0.00 C ATOM 233 O LEU A 17 10.832 10.528 11.789 1.00 0.00 O ATOM 234 CB LEU A 17 9.932 13.515 10.844 1.00 0.00 C ATOM 235 CG LEU A 17 10.175 14.355 9.576 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.278 15.839 9.940 1.00 0.00 C ATOM 237 CD2 LEU A 17 11.474 13.937 8.880 1.00 0.00 C ATOM 0 H LEU A 17 7.651 12.982 10.118 1.00 0.00 H new ATOM 0 HA LEU A 17 9.994 11.662 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.182 14.015 11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.853 13.486 11.427 1.00 0.00 H new ATOM 0 HG LEU A 17 9.334 14.188 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.450 16.424 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.350 16.163 10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.107 15.987 10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.621 14.546 7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.314 14.081 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.413 12.886 8.596 1.00 0.00 H new ATOM 249 N LYS A 18 8.902 11.136 12.788 1.00 0.00 N ATOM 250 CA LYS A 18 9.088 10.341 14.008 1.00 0.00 C ATOM 251 C LYS A 18 9.336 8.854 13.732 1.00 0.00 C ATOM 252 O LYS A 18 9.967 8.196 14.559 1.00 0.00 O ATOM 253 CB LYS A 18 7.878 10.505 14.946 1.00 0.00 C ATOM 254 CG LYS A 18 7.856 11.887 15.615 1.00 0.00 C ATOM 255 CD LYS A 18 6.636 12.047 16.537 1.00 0.00 C ATOM 256 CE LYS A 18 6.648 13.402 17.261 1.00 0.00 C ATOM 257 NZ LYS A 18 6.239 14.527 16.386 1.00 0.00 N ATOM 0 H LYS A 18 8.018 11.645 12.768 1.00 0.00 H new ATOM 0 HA LYS A 18 9.987 10.727 14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.958 10.361 14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.905 9.731 15.713 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.770 12.028 16.192 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.839 12.663 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.722 11.955 15.951 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.626 11.242 17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.979 13.355 18.120 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.649 13.594 17.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.677 15.407 16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.549 14.339 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.204 14.625 16.407 1.00 0.00 H new ATOM 271 N LYS A 19 8.870 8.319 12.598 1.00 0.00 N ATOM 272 CA LYS A 19 9.050 6.912 12.232 1.00 0.00 C ATOM 273 C LYS A 19 9.850 6.800 10.941 1.00 0.00 C ATOM 274 O LYS A 19 10.705 5.927 10.833 1.00 0.00 O ATOM 275 CB LYS A 19 7.680 6.222 12.080 1.00 0.00 C ATOM 276 CG LYS A 19 6.811 6.212 13.350 1.00 0.00 C ATOM 277 CD LYS A 19 7.439 5.428 14.514 1.00 0.00 C ATOM 278 CE LYS A 19 6.464 5.383 15.698 1.00 0.00 C ATOM 279 NZ LYS A 19 7.013 4.625 16.851 1.00 0.00 N ATOM 0 H LYS A 19 8.353 8.857 11.903 1.00 0.00 H new ATOM 0 HA LYS A 19 9.604 6.411 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.126 6.719 11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.842 5.192 11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.633 7.239 13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.839 5.779 13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.682 4.415 14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.374 5.899 14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.231 6.400 16.013 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.528 4.926 15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.320 4.622 17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.212 3.646 16.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.893 5.075 17.175 1.00 0.00 H new ATOM 293 N LEU A 20 9.622 7.688 9.973 1.00 0.00 N ATOM 294 CA LEU A 20 10.261 7.601 8.666 1.00 0.00 C ATOM 295 C LEU A 20 11.761 7.874 8.763 1.00 0.00 C ATOM 296 O LEU A 20 12.549 7.166 8.135 1.00 0.00 O ATOM 297 CB LEU A 20 9.582 8.549 7.672 1.00 0.00 C ATOM 298 CG LEU A 20 8.337 7.946 6.994 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.670 6.730 6.119 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.190 7.548 7.930 1.00 0.00 C ATOM 0 H LEU A 20 8.992 8.483 10.075 1.00 0.00 H new ATOM 0 HA LEU A 20 10.142 6.583 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.295 9.463 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.302 8.833 6.904 1.00 0.00 H new ATOM 0 HG LEU A 20 7.987 8.781 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.756 6.346 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.367 7.026 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.124 5.953 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.368 7.136 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.542 6.798 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.843 8.426 8.474 1.00 0.00 H new ATOM 312 N LYS A 21 12.181 8.862 9.567 1.00 0.00 N ATOM 313 CA LYS A 21 13.606 9.131 9.755 1.00 0.00 C ATOM 314 C LYS A 21 14.257 7.990 10.534 1.00 0.00 C ATOM 315 O LYS A 21 15.403 7.646 10.255 1.00 0.00 O ATOM 316 CB LYS A 21 13.799 10.490 10.453 1.00 0.00 C ATOM 317 CG LYS A 21 15.258 10.965 10.573 1.00 0.00 C ATOM 318 CD LYS A 21 16.010 11.002 9.233 1.00 0.00 C ATOM 319 CE LYS A 21 17.309 11.808 9.379 1.00 0.00 C ATOM 320 NZ LYS A 21 18.082 11.875 8.112 1.00 0.00 N ATOM 0 H LYS A 21 11.559 9.479 10.090 1.00 0.00 H new ATOM 0 HA LYS A 21 14.098 9.187 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.232 11.244 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.370 10.431 11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.271 11.962 11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.790 10.306 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.237 9.987 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.379 11.450 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.070 12.819 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.928 11.357 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.949 12.429 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.335 10.913 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.504 12.330 7.376 1.00 0.00 H new ATOM 334 N GLU A 22 13.533 7.383 11.480 1.00 0.00 N ATOM 335 CA GLU A 22 14.031 6.231 12.218 1.00 0.00 C ATOM 336 C GLU A 22 14.251 5.062 11.256 1.00 0.00 C ATOM 337 O GLU A 22 15.313 4.458 11.282 1.00 0.00 O ATOM 338 CB GLU A 22 13.075 5.882 13.370 1.00 0.00 C ATOM 339 CG GLU A 22 13.640 4.769 14.263 1.00 0.00 C ATOM 340 CD GLU A 22 12.728 4.497 15.471 1.00 0.00 C ATOM 341 OE1 GLU A 22 11.775 3.693 15.354 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.970 5.062 16.562 1.00 0.00 O ATOM 0 H GLU A 22 12.594 7.677 11.750 1.00 0.00 H new ATOM 0 HA GLU A 22 14.994 6.466 12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.891 6.772 13.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.114 5.568 12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.754 3.856 13.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.633 5.050 14.612 1.00 0.00 H new ATOM 349 N GLU A 23 13.311 4.774 10.352 1.00 0.00 N ATOM 350 CA GLU A 23 13.433 3.703 9.362 1.00 0.00 C ATOM 351 C GLU A 23 14.646 3.942 8.460 1.00 0.00 C ATOM 352 O GLU A 23 15.423 3.016 8.222 1.00 0.00 O ATOM 353 CB GLU A 23 12.129 3.611 8.551 1.00 0.00 C ATOM 354 CG GLU A 23 12.052 2.327 7.711 1.00 0.00 C ATOM 355 CD GLU A 23 10.823 2.309 6.785 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.695 2.614 7.234 1.00 0.00 O ATOM 357 OE2 GLU A 23 10.960 1.972 5.590 1.00 0.00 O ATOM 0 H GLU A 23 12.431 5.286 10.287 1.00 0.00 H new ATOM 0 HA GLU A 23 13.592 2.751 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.278 3.649 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.051 4.477 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.957 2.233 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.017 1.463 8.374 1.00 0.00 H new ATOM 364 N ALA A 24 14.869 5.192 8.042 1.00 0.00 N ATOM 365 CA ALA A 24 16.018 5.603 7.237 1.00 0.00 C ATOM 366 C ALA A 24 17.366 5.482 7.970 1.00 0.00 C ATOM 367 O ALA A 24 18.410 5.762 7.378 1.00 0.00 O ATOM 368 CB ALA A 24 15.785 7.034 6.745 1.00 0.00 C ATOM 0 H ALA A 24 14.238 5.963 8.261 1.00 0.00 H new ATOM 0 HA ALA A 24 16.092 4.916 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.635 7.354 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.878 7.068 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.676 7.700 7.601 1.00 0.00 H new ATOM 374 N LYS A 25 17.360 5.080 9.244 1.00 0.00 N ATOM 375 CA LYS A 25 18.550 4.828 10.054 1.00 0.00 C ATOM 376 C LYS A 25 18.548 3.385 10.567 1.00 0.00 C ATOM 377 O LYS A 25 19.620 2.818 10.777 1.00 0.00 O ATOM 378 CB LYS A 25 18.598 5.841 11.213 1.00 0.00 C ATOM 379 CG LYS A 25 18.796 7.290 10.724 1.00 0.00 C ATOM 380 CD LYS A 25 18.569 8.338 11.825 1.00 0.00 C ATOM 381 CE LYS A 25 19.595 8.213 12.962 1.00 0.00 C ATOM 382 NZ LYS A 25 19.410 9.251 14.008 1.00 0.00 N ATOM 0 H LYS A 25 16.493 4.916 9.756 1.00 0.00 H new ATOM 0 HA LYS A 25 19.445 4.956 9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.672 5.777 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.410 5.575 11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.807 7.399 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.111 7.485 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.628 9.337 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.564 8.225 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.512 7.225 13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.601 8.291 12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.125 9.125 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.515 10.194 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.460 9.161 14.422 1.00 0.00 H new ATOM 396 N LYS A 26 17.373 2.767 10.737 1.00 0.00 N ATOM 397 CA LYS A 26 17.233 1.369 11.138 1.00 0.00 C ATOM 398 C LYS A 26 17.673 0.468 9.990 1.00 0.00 C ATOM 399 O LYS A 26 18.341 -0.538 10.226 1.00 0.00 O ATOM 400 CB LYS A 26 15.766 1.096 11.514 1.00 0.00 C ATOM 401 CG LYS A 26 15.490 -0.310 12.077 1.00 0.00 C ATOM 402 CD LYS A 26 16.246 -0.599 13.386 1.00 0.00 C ATOM 403 CE LYS A 26 15.808 -1.921 14.037 1.00 0.00 C ATOM 404 NZ LYS A 26 16.202 -3.119 13.251 1.00 0.00 N ATOM 0 H LYS A 26 16.479 3.237 10.596 1.00 0.00 H new ATOM 0 HA LYS A 26 17.862 1.161 12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.452 1.835 12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.146 1.245 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.420 -0.421 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.770 -1.054 11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.317 -0.634 13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.081 0.220 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.243 -1.989 15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.725 -1.916 14.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.879 -3.977 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.766 -3.074 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.237 -3.145 13.153 1.00 0.00 H new ATOM 418 N ALA A 27 17.317 0.842 8.759 1.00 0.00 N ATOM 419 CA ALA A 27 17.677 0.134 7.542 1.00 0.00 C ATOM 420 C ALA A 27 18.423 1.088 6.607 1.00 0.00 C ATOM 421 O ALA A 27 18.407 2.307 6.788 1.00 0.00 O ATOM 422 CB ALA A 27 16.406 -0.433 6.893 1.00 0.00 C ATOM 0 H ALA A 27 16.752 1.673 8.583 1.00 0.00 H new ATOM 0 HA ALA A 27 18.340 -0.702 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.670 -0.965 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.919 -1.120 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.725 0.383 6.653 1.00 0.00 H new ATOM 428 N ASN A 28 19.058 0.519 5.578 1.00 0.00 N ATOM 429 CA ASN A 28 19.858 1.248 4.584 1.00 0.00 C ATOM 430 C ASN A 28 18.998 2.060 3.597 1.00 0.00 C ATOM 431 O ASN A 28 19.527 2.695 2.683 1.00 0.00 O ATOM 432 CB ASN A 28 20.735 0.243 3.819 1.00 0.00 C ATOM 433 CG ASN A 28 21.797 0.929 2.956 1.00 0.00 C ATOM 434 OD1 ASN A 28 22.532 1.796 3.422 1.00 0.00 O ATOM 435 ND2 ASN A 28 21.924 0.545 1.695 1.00 0.00 N ATOM 0 H ASN A 28 19.030 -0.486 5.407 1.00 0.00 H new ATOM 0 HA ASN A 28 20.475 1.970 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 28 21.224 -0.423 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.102 -0.378 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.637 0.970 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.309 -0.176 1.317 1.00 0.00 H new ATOM 442 N ILE A 29 17.670 1.994 3.729 1.00 0.00 N ATOM 443 CA ILE A 29 16.714 2.683 2.866 1.00 0.00 C ATOM 444 C ILE A 29 16.903 4.208 2.948 1.00 0.00 C ATOM 445 O ILE A 29 17.498 4.724 3.898 1.00 0.00 O ATOM 446 CB ILE A 29 15.273 2.198 3.178 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.723 2.562 4.579 1.00 0.00 C ATOM 448 CG2 ILE A 29 15.232 0.660 3.073 1.00 0.00 C ATOM 449 CD1 ILE A 29 14.088 3.951 4.679 1.00 0.00 C ATOM 0 H ILE A 29 17.221 1.443 4.461 1.00 0.00 H new ATOM 0 HA ILE A 29 16.900 2.428 1.823 1.00 0.00 H new ATOM 0 HB ILE A 29 14.647 2.713 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.981 1.817 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.537 2.497 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.224 0.307 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.513 0.357 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.930 0.228 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.732 4.116 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.829 4.709 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.250 4.019 3.986 1.00 0.00 H new ATOM 461 N ARG A 30 16.359 4.936 1.967 1.00 0.00 N ATOM 462 CA ARG A 30 16.420 6.398 1.906 1.00 0.00 C ATOM 463 C ARG A 30 15.025 6.930 1.627 1.00 0.00 C ATOM 464 O ARG A 30 14.255 6.289 0.910 1.00 0.00 O ATOM 465 CB ARG A 30 17.481 6.887 0.895 1.00 0.00 C ATOM 466 CG ARG A 30 17.073 6.930 -0.591 1.00 0.00 C ATOM 467 CD ARG A 30 16.733 5.561 -1.190 1.00 0.00 C ATOM 468 NE ARG A 30 16.225 5.686 -2.566 1.00 0.00 N ATOM 469 CZ ARG A 30 14.936 5.823 -2.902 1.00 0.00 C ATOM 470 NH1 ARG A 30 13.988 5.945 -1.982 1.00 0.00 N ATOM 471 NH2 ARG A 30 14.566 5.833 -4.176 1.00 0.00 N ATOM 0 H ARG A 30 15.857 4.519 1.183 1.00 0.00 H new ATOM 0 HA ARG A 30 16.749 6.797 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.791 7.890 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.356 6.244 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.209 7.586 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.885 7.374 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.621 4.930 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.987 5.066 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 30 16.908 5.667 -3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.234 5.936 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.013 6.048 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.266 5.736 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.581 5.938 -4.420 1.00 0.00 H new ATOM 485 N VAL A 31 14.733 8.105 2.164 1.00 0.00 N ATOM 486 CA VAL A 31 13.400 8.693 2.207 1.00 0.00 C ATOM 487 C VAL A 31 13.428 10.104 1.625 1.00 0.00 C ATOM 488 O VAL A 31 14.489 10.698 1.412 1.00 0.00 O ATOM 489 CB VAL A 31 12.867 8.656 3.659 1.00 0.00 C ATOM 490 CG1 VAL A 31 12.557 7.220 4.099 1.00 0.00 C ATOM 491 CG2 VAL A 31 13.841 9.290 4.665 1.00 0.00 C ATOM 0 H VAL A 31 15.442 8.697 2.597 1.00 0.00 H new ATOM 0 HA VAL A 31 12.713 8.113 1.591 1.00 0.00 H new ATOM 0 HB VAL A 31 11.951 9.246 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.184 7.226 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.801 6.793 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.465 6.619 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.415 9.236 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.788 8.751 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.011 10.333 4.399 1.00 0.00 H new ATOM 501 N THR A 32 12.233 10.624 1.380 1.00 0.00 N ATOM 502 CA THR A 32 11.987 11.849 0.639 1.00 0.00 C ATOM 503 C THR A 32 11.053 12.740 1.462 1.00 0.00 C ATOM 504 O THR A 32 9.971 12.313 1.861 1.00 0.00 O ATOM 505 CB THR A 32 11.387 11.484 -0.741 1.00 0.00 C ATOM 506 OG1 THR A 32 10.845 10.167 -0.763 1.00 0.00 O ATOM 507 CG2 THR A 32 12.441 11.554 -1.845 1.00 0.00 C ATOM 0 H THR A 32 11.373 10.183 1.707 1.00 0.00 H new ATOM 0 HA THR A 32 12.910 12.403 0.465 1.00 0.00 H new ATOM 0 HB THR A 32 10.596 12.214 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.959 10.185 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.986 11.292 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.843 12.566 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.247 10.855 -1.623 1.00 0.00 H new ATOM 515 N PHE A 33 11.468 13.981 1.723 1.00 0.00 N ATOM 516 CA PHE A 33 10.743 14.925 2.567 1.00 0.00 C ATOM 517 C PHE A 33 10.605 16.217 1.764 1.00 0.00 C ATOM 518 O PHE A 33 11.535 17.024 1.701 1.00 0.00 O ATOM 519 CB PHE A 33 11.482 15.135 3.902 1.00 0.00 C ATOM 520 CG PHE A 33 11.761 13.892 4.741 1.00 0.00 C ATOM 521 CD1 PHE A 33 10.723 13.014 5.112 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.071 13.640 5.197 1.00 0.00 C ATOM 523 CE1 PHE A 33 10.988 11.909 5.941 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.337 12.535 6.026 1.00 0.00 C ATOM 525 CZ PHE A 33 12.294 11.675 6.406 1.00 0.00 C ATOM 0 H PHE A 33 12.335 14.363 1.345 1.00 0.00 H new ATOM 0 HA PHE A 33 9.754 14.551 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.434 15.621 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.898 15.828 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.718 13.191 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.876 14.300 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.188 11.240 6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.343 12.348 6.370 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.495 10.835 7.055 1.00 0.00 H new ATOM 535 N TRP A 34 9.471 16.377 1.076 1.00 0.00 N ATOM 536 CA TRP A 34 9.278 17.465 0.118 1.00 0.00 C ATOM 537 C TRP A 34 9.121 18.839 0.776 1.00 0.00 C ATOM 538 O TRP A 34 9.387 19.857 0.134 1.00 0.00 O ATOM 539 CB TRP A 34 8.078 17.155 -0.790 1.00 0.00 C ATOM 540 CG TRP A 34 8.512 16.705 -2.146 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.813 17.542 -3.157 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.783 15.361 -2.644 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.281 16.824 -4.238 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.300 15.470 -3.973 1.00 0.00 C ATOM 545 CE3 TRP A 34 8.664 14.063 -2.107 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.704 14.347 -4.712 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.016 12.932 -2.867 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.549 13.068 -4.158 1.00 0.00 C ATOM 0 H TRP A 34 8.665 15.758 1.168 1.00 0.00 H new ATOM 0 HA TRP A 34 10.188 17.524 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.464 16.381 -0.329 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.454 18.044 -0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.704 18.616 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.576 17.241 -5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.298 13.935 -1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.130 14.467 -5.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.874 11.946 -2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 34 9.838 12.193 -4.721 1.00 0.00 H new ATOM 559 N GLY A 35 8.675 18.878 2.034 1.00 0.00 N ATOM 560 CA GLY A 35 8.279 20.120 2.693 1.00 0.00 C ATOM 561 C GLY A 35 7.075 20.768 1.990 1.00 0.00 C ATOM 562 O GLY A 35 6.930 21.991 2.024 1.00 0.00 O ATOM 0 H GLY A 35 8.579 18.050 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.029 19.917 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.118 20.816 2.696 1.00 0.00 H new ATOM 566 N ASP A 36 6.256 19.958 1.304 1.00 0.00 N ATOM 567 CA ASP A 36 5.095 20.388 0.529 1.00 0.00 C ATOM 568 C ASP A 36 4.131 21.217 1.378 1.00 0.00 C ATOM 569 O ASP A 36 3.796 20.791 2.503 1.00 0.00 O ATOM 570 CB ASP A 36 4.359 19.182 -0.063 1.00 0.00 C ATOM 571 CG ASP A 36 3.055 19.636 -0.741 1.00 0.00 C ATOM 572 OD1 ASP A 36 3.117 20.226 -1.843 1.00 0.00 O ATOM 573 OD2 ASP A 36 1.958 19.384 -0.190 1.00 0.00 O ATOM 574 OXT ASP A 36 3.717 22.301 0.920 1.00 0.00 O ATOM 0 H ASP A 36 6.394 18.948 1.276 1.00 0.00 H new ATOM 0 HA ASP A 36 5.462 21.015 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.998 18.677 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.137 18.461 0.723 1.00 0.00 H new