USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ 133:sc= -0.218 (180deg=-1.19) USER MOD Set 1.2: A 68 THR OG1 : rot -69:sc= -1.45! USER MOD Set 2.1: A 19 ASN : amide:sc= -2.01! C(o=-2.4!,f=-3.9!) USER MOD Set 2.2: A 21 MET CE :methyl -143:sc= -0.373 (180deg=-1.69!) USER MOD Set 3.1: A 14 SER OG : rot -50:sc= -0.77 USER MOD Set 3.2: A 25 LYS NZ :NH3+ -176:sc= -2.34! (180deg=-2.59!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0335 F(o=-1.1,f=-0.033) USER MOD Single : A 30 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-4.2!) USER MOD Single : A 34 CYS SG : rot 70:sc= -2.95 USER MOD Single : A 35 HIS : no HE2:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 178:sc= 0 (180deg=-0.00852) USER MOD Single : A 43 ASN : amide:sc= -5! C(o=-5!,f=-4.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 7.309 1.676 26.896 1.00 0.00 N ATOM 84 CA VAL A 6 7.043 2.427 28.154 1.00 0.00 C ATOM 85 C VAL A 6 5.562 2.429 28.487 1.00 0.00 C ATOM 86 O VAL A 6 4.760 1.866 27.768 1.00 0.00 O ATOM 87 CB VAL A 6 7.491 3.885 27.958 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.012 3.966 28.039 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.034 4.373 26.582 1.00 0.00 C ATOM 0 HA VAL A 6 7.589 1.947 28.966 1.00 0.00 H new ATOM 0 HB VAL A 6 7.050 4.508 28.736 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.329 5.000 27.900 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.344 3.613 29.015 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.452 3.344 27.260 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.350 5.406 26.439 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.479 3.747 25.808 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.948 4.313 26.517 1.00 0.00 H new ATOM 99 N ILE A 7 5.228 3.071 29.586 1.00 0.00 N ATOM 100 CA ILE A 7 3.800 3.136 30.004 1.00 0.00 C ATOM 101 C ILE A 7 3.374 4.574 30.246 1.00 0.00 C ATOM 102 O ILE A 7 3.700 5.161 31.262 1.00 0.00 O ATOM 103 CB ILE A 7 3.636 2.352 31.304 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.072 0.910 31.092 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.148 2.364 31.695 1.00 0.00 C ATOM 106 CD1 ILE A 7 3.619 0.069 32.286 1.00 0.00 C ATOM 0 H ILE A 7 5.884 3.548 30.204 1.00 0.00 H new ATOM 0 HA ILE A 7 3.181 2.714 29.212 1.00 0.00 H new ATOM 0 HB ILE A 7 4.245 2.805 32.086 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.640 0.518 30.171 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.155 0.857 30.984 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.011 1.808 32.623 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.817 3.393 31.836 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.560 1.900 30.903 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.928 -0.966 32.140 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.072 0.458 33.198 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.533 0.114 32.372 1.00 0.00 H new ATOM 118 N GLU A 8 2.655 5.118 29.305 1.00 0.00 N ATOM 119 CA GLU A 8 2.193 6.515 29.454 1.00 0.00 C ATOM 120 C GLU A 8 1.094 6.602 30.500 1.00 0.00 C ATOM 121 O GLU A 8 0.026 6.052 30.319 1.00 0.00 O ATOM 122 CB GLU A 8 1.619 6.981 28.108 1.00 0.00 C ATOM 123 CG GLU A 8 2.758 7.452 27.205 1.00 0.00 C ATOM 124 CD GLU A 8 2.166 8.142 25.973 1.00 0.00 C ATOM 125 OE1 GLU A 8 1.378 9.048 26.186 1.00 0.00 O ATOM 126 OE2 GLU A 8 2.534 7.722 24.888 1.00 0.00 O ATOM 0 H GLU A 8 2.370 4.653 28.443 1.00 0.00 H new ATOM 0 HA GLU A 8 3.032 7.139 29.763 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.075 6.166 27.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.906 7.791 28.265 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.407 8.140 27.746 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.373 6.605 26.902 1.00 0.00 H new ATOM 133 N LEU A 9 1.373 7.288 31.579 1.00 0.00 N ATOM 134 CA LEU A 9 0.346 7.415 32.644 1.00 0.00 C ATOM 135 C LEU A 9 0.370 8.803 33.256 1.00 0.00 C ATOM 136 O LEU A 9 1.418 9.396 33.420 1.00 0.00 O ATOM 137 CB LEU A 9 0.658 6.388 33.741 1.00 0.00 C ATOM 138 CG LEU A 9 -0.318 5.215 33.616 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.237 4.014 34.384 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.667 5.619 34.216 1.00 0.00 C ATOM 0 H LEU A 9 2.259 7.759 31.763 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.639 7.242 32.210 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.685 6.035 33.646 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.569 6.849 34.725 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.446 4.951 32.566 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.455 3.176 34.298 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.204 3.731 33.967 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.358 4.278 35.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.367 4.788 34.130 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.535 5.876 35.267 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.061 6.482 33.678 1.00 0.00 H new ATOM 152 N GLU A 10 -0.788 9.301 33.585 1.00 0.00 N ATOM 153 CA GLU A 10 -0.850 10.648 34.188 1.00 0.00 C ATOM 154 C GLU A 10 -0.659 10.566 35.691 1.00 0.00 C ATOM 155 O GLU A 10 -1.146 9.653 36.332 1.00 0.00 O ATOM 156 CB GLU A 10 -2.230 11.255 33.892 1.00 0.00 C ATOM 157 CG GLU A 10 -2.486 11.211 32.382 1.00 0.00 C ATOM 158 CD GLU A 10 -3.874 11.783 32.088 1.00 0.00 C ATOM 159 OE1 GLU A 10 -3.940 12.609 31.192 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.789 11.363 32.776 1.00 0.00 O ATOM 0 H GLU A 10 -1.686 8.833 33.461 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.058 11.267 33.766 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.005 10.701 34.421 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.273 12.283 34.250 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.724 11.786 31.855 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.419 10.185 32.020 1.00 0.00 H new ATOM 167 N GLY A 11 0.051 11.520 36.234 1.00 0.00 N ATOM 168 CA GLY A 11 0.282 11.507 37.703 1.00 0.00 C ATOM 169 C GLY A 11 0.286 12.927 38.237 1.00 0.00 C ATOM 170 O GLY A 11 0.664 13.849 37.542 1.00 0.00 O ATOM 0 H GLY A 11 0.475 12.298 35.729 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.496 10.925 38.197 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.232 11.022 37.926 1.00 0.00 H new ATOM 174 N THR A 12 -0.130 13.083 39.464 1.00 0.00 N ATOM 175 CA THR A 12 -0.153 14.439 40.047 1.00 0.00 C ATOM 176 C THR A 12 1.123 14.708 40.808 1.00 0.00 C ATOM 177 O THR A 12 1.538 13.914 41.630 1.00 0.00 O ATOM 178 CB THR A 12 -1.336 14.542 41.012 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.486 14.317 40.223 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.492 15.981 41.526 1.00 0.00 C ATOM 0 H THR A 12 -0.451 12.334 40.077 1.00 0.00 H new ATOM 0 HA THR A 12 -0.248 15.170 39.244 1.00 0.00 H new ATOM 0 HB THR A 12 -1.197 13.851 41.843 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.285 14.368 40.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.339 16.033 42.211 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.584 16.281 42.049 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.665 16.651 40.684 1.00 0.00 H new ATOM 188 N VAL A 13 1.731 15.821 40.528 1.00 0.00 N ATOM 189 CA VAL A 13 2.990 16.140 41.241 1.00 0.00 C ATOM 190 C VAL A 13 2.744 16.215 42.730 1.00 0.00 C ATOM 191 O VAL A 13 1.869 16.927 43.184 1.00 0.00 O ATOM 192 CB VAL A 13 3.529 17.497 40.759 1.00 0.00 C ATOM 193 CG1 VAL A 13 4.992 17.624 41.182 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.455 17.572 39.239 1.00 0.00 C ATOM 0 H VAL A 13 1.417 16.513 39.848 1.00 0.00 H new ATOM 0 HA VAL A 13 3.716 15.354 41.032 1.00 0.00 H new ATOM 0 HB VAL A 13 2.932 18.299 41.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.386 18.583 40.846 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.063 17.563 42.268 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.572 16.817 40.734 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.838 18.536 38.903 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.055 16.772 38.806 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.419 17.462 38.919 1.00 0.00 H new ATOM 204 N SER A 14 3.526 15.478 43.464 1.00 0.00 N ATOM 205 CA SER A 14 3.365 15.476 44.931 1.00 0.00 C ATOM 206 C SER A 14 4.386 16.386 45.620 1.00 0.00 C ATOM 207 O SER A 14 4.096 16.969 46.645 1.00 0.00 O ATOM 208 CB SER A 14 3.571 14.036 45.419 1.00 0.00 C ATOM 209 OG SER A 14 2.593 13.289 44.711 1.00 0.00 O ATOM 0 H SER A 14 4.269 14.878 43.106 1.00 0.00 H new ATOM 0 HA SER A 14 2.372 15.850 45.178 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.578 13.681 45.201 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.431 13.956 46.497 1.00 0.00 H new ATOM 0 HG SER A 14 1.719 13.723 44.804 1.00 0.00 H new ATOM 215 N GLU A 15 5.564 16.497 45.054 1.00 0.00 N ATOM 216 CA GLU A 15 6.585 17.374 45.696 1.00 0.00 C ATOM 217 C GLU A 15 7.684 17.778 44.715 1.00 0.00 C ATOM 218 O GLU A 15 7.910 17.117 43.722 1.00 0.00 O ATOM 219 CB GLU A 15 7.222 16.592 46.856 1.00 0.00 C ATOM 220 CG GLU A 15 8.035 17.552 47.728 1.00 0.00 C ATOM 221 CD GLU A 15 8.202 16.949 49.124 1.00 0.00 C ATOM 222 OE1 GLU A 15 7.223 16.392 49.593 1.00 0.00 O ATOM 223 OE2 GLU A 15 9.299 17.077 49.641 1.00 0.00 O ATOM 0 H GLU A 15 5.856 16.029 44.196 1.00 0.00 H new ATOM 0 HA GLU A 15 6.094 18.283 46.043 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.448 16.108 47.452 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.865 15.802 46.467 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.011 17.732 47.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.532 18.517 47.794 1.00 0.00 H new ATOM 230 N ALA A 16 8.348 18.868 45.024 1.00 0.00 N ATOM 231 CA ALA A 16 9.440 19.349 44.134 1.00 0.00 C ATOM 232 C ALA A 16 10.801 18.917 44.666 1.00 0.00 C ATOM 233 O ALA A 16 11.190 19.295 45.754 1.00 0.00 O ATOM 234 CB ALA A 16 9.387 20.884 44.095 1.00 0.00 C ATOM 0 H ALA A 16 8.178 19.439 45.852 1.00 0.00 H new ATOM 0 HA ALA A 16 9.305 18.925 43.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.180 21.259 43.448 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.420 21.205 43.708 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.524 21.278 45.102 1.00 0.00 H new ATOM 240 N LEU A 17 11.508 18.134 43.879 1.00 0.00 N ATOM 241 CA LEU A 17 12.852 17.660 44.316 1.00 0.00 C ATOM 242 C LEU A 17 13.984 18.390 43.553 1.00 0.00 C ATOM 243 O LEU A 17 13.824 18.760 42.409 1.00 0.00 O ATOM 244 CB LEU A 17 12.939 16.157 44.010 1.00 0.00 C ATOM 245 CG LEU A 17 11.815 15.434 44.761 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.683 14.008 44.226 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.161 15.379 46.248 1.00 0.00 C ATOM 0 H LEU A 17 11.209 17.808 42.960 1.00 0.00 H new ATOM 0 HA LEU A 17 12.975 17.864 45.380 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.848 15.984 42.938 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.909 15.765 44.315 1.00 0.00 H new ATOM 0 HG LEU A 17 10.876 15.969 44.617 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.884 13.492 44.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.449 14.039 43.162 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.622 13.475 44.375 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.365 14.866 46.788 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.098 14.839 46.384 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.267 16.393 46.635 1.00 0.00 H new ATOM 259 N PRO A 18 15.114 18.589 44.220 1.00 0.00 N ATOM 260 CA PRO A 18 16.261 19.267 43.605 1.00 0.00 C ATOM 261 C PRO A 18 16.791 18.505 42.393 1.00 0.00 C ATOM 262 O PRO A 18 16.383 17.394 42.123 1.00 0.00 O ATOM 263 CB PRO A 18 17.346 19.285 44.704 1.00 0.00 C ATOM 264 CG PRO A 18 16.770 18.533 45.942 1.00 0.00 C ATOM 265 CD PRO A 18 15.310 18.173 45.619 1.00 0.00 C ATOM 0 HA PRO A 18 15.981 20.260 43.253 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.257 18.802 44.351 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.610 20.310 44.966 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.351 17.634 46.150 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.823 19.160 46.832 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.131 17.105 45.742 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.620 18.691 46.285 1.00 0.00 H new ATOM 273 N ASN A 19 17.693 19.131 41.685 1.00 0.00 N ATOM 274 CA ASN A 19 18.278 18.483 40.484 1.00 0.00 C ATOM 275 C ASN A 19 17.249 18.322 39.369 1.00 0.00 C ATOM 276 O ASN A 19 17.342 17.415 38.568 1.00 0.00 O ATOM 277 CB ASN A 19 18.799 17.090 40.881 1.00 0.00 C ATOM 278 CG ASN A 19 19.261 17.116 42.340 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.870 18.065 42.791 1.00 0.00 O ATOM 280 ND2 ASN A 19 18.995 16.096 43.109 1.00 0.00 N ATOM 0 H ASN A 19 18.048 20.065 41.890 1.00 0.00 H new ATOM 0 HA ASN A 19 19.084 19.117 40.113 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.014 16.345 40.750 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.625 16.800 40.232 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.298 16.099 44.083 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.484 15.296 42.736 1.00 0.00 H new ATOM 287 N ALA A 20 16.291 19.206 39.333 1.00 0.00 N ATOM 288 CA ALA A 20 15.251 19.111 38.273 1.00 0.00 C ATOM 289 C ALA A 20 14.507 17.779 38.348 1.00 0.00 C ATOM 290 O ALA A 20 14.513 17.003 37.409 1.00 0.00 O ATOM 291 CB ALA A 20 15.944 19.221 36.903 1.00 0.00 C ATOM 0 H ALA A 20 16.184 19.983 39.985 1.00 0.00 H new ATOM 0 HA ALA A 20 14.528 19.915 38.413 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.198 19.154 36.111 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.462 20.178 36.833 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.664 18.410 36.793 1.00 0.00 H new ATOM 297 N MET A 21 13.870 17.547 39.462 1.00 0.00 N ATOM 298 CA MET A 21 13.124 16.297 39.637 1.00 0.00 C ATOM 299 C MET A 21 11.987 16.524 40.610 1.00 0.00 C ATOM 300 O MET A 21 11.959 17.509 41.311 1.00 0.00 O ATOM 301 CB MET A 21 14.070 15.238 40.229 1.00 0.00 C ATOM 302 CG MET A 21 15.148 14.891 39.201 1.00 0.00 C ATOM 303 SD MET A 21 16.111 13.382 39.475 1.00 0.00 S ATOM 304 CE MET A 21 16.621 13.739 41.174 1.00 0.00 C ATOM 0 H MET A 21 13.842 18.184 40.259 1.00 0.00 H new ATOM 0 HA MET A 21 12.730 15.965 38.677 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.530 15.615 41.142 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.509 14.344 40.500 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.669 14.812 38.225 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.843 15.729 39.147 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.640 13.385 41.330 1.00 0.00 H new ATOM 0 HE2 MET A 21 16.579 14.814 41.348 1.00 0.00 H new ATOM 0 HE3 MET A 21 15.951 13.233 41.869 1.00 0.00 H new ATOM 314 N PHE A 22 11.071 15.627 40.632 1.00 0.00 N ATOM 315 CA PHE A 22 9.935 15.794 41.564 1.00 0.00 C ATOM 316 C PHE A 22 9.217 14.480 41.816 1.00 0.00 C ATOM 317 O PHE A 22 9.407 13.511 41.109 1.00 0.00 O ATOM 318 CB PHE A 22 8.928 16.785 40.951 1.00 0.00 C ATOM 319 CG PHE A 22 9.127 16.873 39.440 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.259 15.729 38.673 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.158 18.106 38.816 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.417 15.822 37.313 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.315 18.192 37.455 1.00 0.00 C ATOM 324 CZ PHE A 22 9.444 17.051 36.705 1.00 0.00 C ATOM 0 H PHE A 22 11.051 14.788 40.053 1.00 0.00 H new ATOM 0 HA PHE A 22 10.329 16.162 42.511 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.910 16.464 41.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.057 17.770 41.400 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.238 14.759 39.147 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.058 19.007 39.403 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.520 14.925 36.720 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.337 19.159 36.974 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.567 17.120 35.634 1.00 0.00 H new ATOM 334 N LYS A 23 8.409 14.475 42.840 1.00 0.00 N ATOM 335 CA LYS A 23 7.655 13.253 43.179 1.00 0.00 C ATOM 336 C LYS A 23 6.242 13.369 42.632 1.00 0.00 C ATOM 337 O LYS A 23 5.634 14.414 42.731 1.00 0.00 O ATOM 338 CB LYS A 23 7.595 13.133 44.709 1.00 0.00 C ATOM 339 CG LYS A 23 7.390 11.666 45.093 1.00 0.00 C ATOM 340 CD LYS A 23 7.758 11.478 46.567 1.00 0.00 C ATOM 341 CE LYS A 23 9.271 11.643 46.732 1.00 0.00 C ATOM 342 NZ LYS A 23 9.776 10.753 47.815 1.00 0.00 N ATOM 0 H LYS A 23 8.243 15.272 43.454 1.00 0.00 H new ATOM 0 HA LYS A 23 8.140 12.377 42.748 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.516 13.511 45.151 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.780 13.741 45.101 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.353 11.374 44.924 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.008 11.023 44.466 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.231 12.208 47.182 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.448 10.490 46.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.773 11.406 45.794 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.507 12.681 46.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.804 10.876 47.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.309 10.998 48.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.568 9.763 47.576 1.00 0.00 H new ATOM 356 N VAL A 24 5.747 12.300 42.055 1.00 0.00 N ATOM 357 CA VAL A 24 4.364 12.343 41.492 1.00 0.00 C ATOM 358 C VAL A 24 3.540 11.159 41.946 1.00 0.00 C ATOM 359 O VAL A 24 4.049 10.066 42.106 1.00 0.00 O ATOM 360 CB VAL A 24 4.465 12.298 39.966 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.065 12.422 39.359 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.320 13.462 39.488 1.00 0.00 C ATOM 0 H VAL A 24 6.235 11.411 41.951 1.00 0.00 H new ATOM 0 HA VAL A 24 3.879 13.255 41.839 1.00 0.00 H new ATOM 0 HB VAL A 24 4.916 11.355 39.657 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.136 12.390 38.272 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.443 11.597 39.707 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.618 13.367 39.666 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.396 13.435 38.401 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.861 14.401 39.797 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.316 13.384 39.923 1.00 0.00 H new ATOM 372 N LYS A 25 2.271 11.406 42.143 1.00 0.00 N ATOM 373 CA LYS A 25 1.359 10.309 42.591 1.00 0.00 C ATOM 374 C LYS A 25 0.377 9.947 41.488 1.00 0.00 C ATOM 375 O LYS A 25 -0.388 10.775 41.034 1.00 0.00 O ATOM 376 CB LYS A 25 0.568 10.781 43.822 1.00 0.00 C ATOM 377 CG LYS A 25 1.366 10.446 45.085 1.00 0.00 C ATOM 378 CD LYS A 25 0.469 10.633 46.312 1.00 0.00 C ATOM 379 CE LYS A 25 0.886 11.907 47.049 1.00 0.00 C ATOM 380 NZ LYS A 25 2.341 11.874 47.370 1.00 0.00 N ATOM 0 H LYS A 25 1.827 12.315 42.014 1.00 0.00 H new ATOM 0 HA LYS A 25 1.960 9.433 42.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.387 11.854 43.765 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.407 10.295 43.852 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.729 9.419 45.038 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.242 11.091 45.158 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.575 10.700 46.007 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.553 9.771 46.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.663 12.779 46.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.308 12.008 47.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.592 12.714 47.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.556 11.017 47.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.891 11.868 46.487 1.00 0.00 H new ATOM 394 N LEU A 26 0.415 8.711 41.078 1.00 0.00 N ATOM 395 CA LEU A 26 -0.496 8.268 40.015 1.00 0.00 C ATOM 396 C LEU A 26 -1.913 8.115 40.545 1.00 0.00 C ATOM 397 O LEU A 26 -2.139 8.141 41.739 1.00 0.00 O ATOM 398 CB LEU A 26 -0.010 6.903 39.507 1.00 0.00 C ATOM 399 CG LEU A 26 1.477 7.004 39.121 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.362 6.758 40.351 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.788 5.945 38.064 1.00 0.00 C ATOM 0 H LEU A 26 1.043 7.994 41.441 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.501 9.009 39.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.147 6.145 40.279 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.601 6.591 38.646 1.00 0.00 H new ATOM 0 HG LEU A 26 1.679 8.001 38.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.411 6.832 40.065 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.140 7.504 41.114 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.164 5.763 40.749 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.839 6.008 37.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.579 4.955 38.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.167 6.116 37.184 1.00 0.00 H new ATOM 413 N GLU A 27 -2.841 7.958 39.649 1.00 0.00 N ATOM 414 CA GLU A 27 -4.251 7.801 40.079 1.00 0.00 C ATOM 415 C GLU A 27 -4.408 6.550 40.928 1.00 0.00 C ATOM 416 O GLU A 27 -5.256 6.484 41.796 1.00 0.00 O ATOM 417 CB GLU A 27 -5.128 7.657 38.828 1.00 0.00 C ATOM 418 CG GLU A 27 -5.408 9.043 38.248 1.00 0.00 C ATOM 419 CD GLU A 27 -6.765 9.536 38.753 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.717 9.355 38.012 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.774 10.064 39.853 1.00 0.00 O ATOM 0 H GLU A 27 -2.685 7.932 38.641 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.547 8.671 40.665 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.626 7.034 38.087 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.064 7.160 39.081 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.622 9.739 38.543 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.405 9.002 37.159 1.00 0.00 H new ATOM 428 N ASN A 28 -3.581 5.577 40.663 1.00 0.00 N ATOM 429 CA ASN A 28 -3.660 4.319 41.439 1.00 0.00 C ATOM 430 C ASN A 28 -3.357 4.575 42.908 1.00 0.00 C ATOM 431 O ASN A 28 -3.560 3.718 43.744 1.00 0.00 O ATOM 432 CB ASN A 28 -2.616 3.344 40.878 1.00 0.00 C ATOM 433 CG ASN A 28 -3.026 2.924 39.464 1.00 0.00 C ATOM 434 OD1 ASN A 28 -4.294 2.776 39.190 1.00 0.00 O flip ATOM 435 ND2 ASN A 28 -2.197 2.727 38.598 1.00 0.00 N flip ATOM 0 H ASN A 28 -2.858 5.603 39.944 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.666 3.906 41.357 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.634 3.816 40.859 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.537 2.468 41.522 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.205 2.841 38.806 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.493 2.448 37.663 1.00 0.00 H new ATOM 442 N GLY A 29 -2.872 5.754 43.196 1.00 0.00 N ATOM 443 CA GLY A 29 -2.547 6.091 44.611 1.00 0.00 C ATOM 444 C GLY A 29 -1.058 5.882 44.889 1.00 0.00 C ATOM 445 O GLY A 29 -0.553 6.295 45.913 1.00 0.00 O ATOM 0 H GLY A 29 -2.688 6.493 42.517 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.818 7.127 44.815 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.138 5.469 45.283 1.00 0.00 H new ATOM 449 N HIS A 30 -0.382 5.245 43.971 1.00 0.00 N ATOM 450 CA HIS A 30 1.068 5.007 44.177 1.00 0.00 C ATOM 451 C HIS A 30 1.884 6.252 43.882 1.00 0.00 C ATOM 452 O HIS A 30 1.387 7.203 43.315 1.00 0.00 O ATOM 453 CB HIS A 30 1.503 3.887 43.235 1.00 0.00 C ATOM 454 CG HIS A 30 0.623 2.673 43.495 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.392 2.376 42.837 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.722 1.712 44.477 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.950 1.337 43.290 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.309 0.834 44.345 1.00 0.00 N ATOM 0 H HIS A 30 -0.769 4.884 43.099 1.00 0.00 H new ATOM 0 HA HIS A 30 1.238 4.736 45.219 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.411 4.207 42.197 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.551 3.638 43.400 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.494 1.663 45.231 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.846 0.905 42.870 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.532 0.011 44.904 1.00 0.00 H new ATOM 466 N GLU A 31 3.138 6.212 44.276 1.00 0.00 N ATOM 467 CA GLU A 31 4.032 7.368 44.044 1.00 0.00 C ATOM 468 C GLU A 31 5.312 6.940 43.339 1.00 0.00 C ATOM 469 O GLU A 31 5.845 5.882 43.606 1.00 0.00 O ATOM 470 CB GLU A 31 4.398 7.960 45.411 1.00 0.00 C ATOM 471 CG GLU A 31 5.037 9.330 45.211 1.00 0.00 C ATOM 472 CD GLU A 31 5.032 10.086 46.540 1.00 0.00 C ATOM 473 OE1 GLU A 31 5.411 9.462 47.518 1.00 0.00 O ATOM 474 OE2 GLU A 31 4.651 11.243 46.505 1.00 0.00 O ATOM 0 H GLU A 31 3.572 5.419 44.749 1.00 0.00 H new ATOM 0 HA GLU A 31 3.521 8.096 43.414 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.507 8.049 46.032 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.087 7.297 45.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.058 9.218 44.846 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.489 9.894 44.456 1.00 0.00 H new ATOM 481 N ILE A 32 5.786 7.780 42.450 1.00 0.00 N ATOM 482 CA ILE A 32 7.029 7.442 41.713 1.00 0.00 C ATOM 483 C ILE A 32 7.882 8.685 41.467 1.00 0.00 C ATOM 484 O ILE A 32 7.396 9.797 41.536 1.00 0.00 O ATOM 485 CB ILE A 32 6.639 6.847 40.379 1.00 0.00 C ATOM 486 CG1 ILE A 32 6.045 5.461 40.583 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.895 6.722 39.504 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.409 4.986 39.275 1.00 0.00 C ATOM 0 H ILE A 32 5.364 8.677 42.209 1.00 0.00 H new ATOM 0 HA ILE A 32 7.612 6.738 42.307 1.00 0.00 H new ATOM 0 HB ILE A 32 5.902 7.491 39.899 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.821 4.763 40.898 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.298 5.486 41.376 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.625 6.294 38.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.333 7.709 39.353 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.620 6.075 39.998 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.982 3.993 39.417 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.622 5.680 38.980 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.169 4.946 38.495 1.00 0.00 H new ATOM 500 N LEU A 33 9.144 8.475 41.185 1.00 0.00 N ATOM 501 CA LEU A 33 10.038 9.627 40.932 1.00 0.00 C ATOM 502 C LEU A 33 10.041 9.972 39.453 1.00 0.00 C ATOM 503 O LEU A 33 10.013 9.089 38.617 1.00 0.00 O ATOM 504 CB LEU A 33 11.465 9.243 41.359 1.00 0.00 C ATOM 505 CG LEU A 33 11.601 9.402 42.876 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.393 8.759 43.560 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.879 8.701 43.344 1.00 0.00 C ATOM 0 H LEU A 33 9.584 7.557 41.121 1.00 0.00 H new ATOM 0 HA LEU A 33 9.687 10.490 41.498 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.679 8.214 41.069 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.192 9.875 40.849 1.00 0.00 H new ATOM 0 HG LEU A 33 11.648 10.460 43.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.485 8.870 44.640 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.480 9.249 43.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.352 7.700 43.306 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.980 8.812 44.424 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.827 7.642 43.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.741 9.150 42.851 1.00 0.00 H new ATOM 519 N CYS A 34 10.079 11.247 39.148 1.00 0.00 N ATOM 520 CA CYS A 34 10.083 11.651 37.719 1.00 0.00 C ATOM 521 C CYS A 34 11.049 12.792 37.470 1.00 0.00 C ATOM 522 O CYS A 34 11.153 13.707 38.262 1.00 0.00 O ATOM 523 CB CYS A 34 8.670 12.116 37.345 1.00 0.00 C ATOM 524 SG CYS A 34 7.278 11.151 37.981 1.00 0.00 S ATOM 0 H CYS A 34 10.107 12.012 39.822 1.00 0.00 H new ATOM 0 HA CYS A 34 10.395 10.798 37.116 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.552 13.144 37.689 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.598 12.133 36.257 1.00 0.00 H new ATOM 0 HG CYS A 34 7.182 11.322 39.266 1.00 0.00 H new ATOM 530 N HIS A 35 11.741 12.711 36.363 1.00 0.00 N ATOM 531 CA HIS A 35 12.716 13.777 36.021 1.00 0.00 C ATOM 532 C HIS A 35 12.152 14.680 34.934 1.00 0.00 C ATOM 533 O HIS A 35 11.147 14.367 34.327 1.00 0.00 O ATOM 534 CB HIS A 35 13.997 13.111 35.499 1.00 0.00 C ATOM 535 CG HIS A 35 14.452 12.036 36.489 1.00 0.00 C ATOM 536 ND1 HIS A 35 13.767 11.053 36.843 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.649 11.914 37.168 1.00 0.00 C ATOM 538 CE1 HIS A 35 14.394 10.323 37.669 1.00 0.00 C ATOM 539 NE2 HIS A 35 15.612 10.793 37.939 1.00 0.00 N ATOM 0 H HIS A 35 11.670 11.952 35.685 1.00 0.00 H new ATOM 0 HA HIS A 35 12.924 14.377 36.907 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.816 12.666 34.520 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.781 13.857 35.370 1.00 0.00 H new ATOM 0 HD1 HIS A 35 12.822 10.862 36.510 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.481 12.599 37.098 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.987 9.422 38.105 1.00 0.00 H new ATOM 547 N ILE A 36 12.810 15.784 34.703 1.00 0.00 N ATOM 548 CA ILE A 36 12.324 16.714 33.660 1.00 0.00 C ATOM 549 C ILE A 36 12.975 16.442 32.315 1.00 0.00 C ATOM 550 O ILE A 36 14.086 15.953 32.246 1.00 0.00 O ATOM 551 CB ILE A 36 12.649 18.133 34.100 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.719 18.511 35.229 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.408 19.098 32.925 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.281 19.727 35.970 1.00 0.00 C ATOM 0 H ILE A 36 13.657 16.075 35.191 1.00 0.00 H new ATOM 0 HA ILE A 36 11.250 16.575 33.540 1.00 0.00 H new ATOM 0 HB ILE A 36 13.689 18.192 34.422 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.727 18.737 34.837 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.606 17.673 35.917 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.640 20.116 33.237 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.049 18.820 32.088 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.364 19.042 32.616 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.610 19.999 36.784 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.263 19.484 36.375 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.371 20.565 35.279 1.00 0.00 H new ATOM 566 N SER A 37 12.258 16.771 31.272 1.00 0.00 N ATOM 567 CA SER A 37 12.786 16.554 29.907 1.00 0.00 C ATOM 568 C SER A 37 13.246 17.867 29.287 1.00 0.00 C ATOM 569 O SER A 37 13.386 18.862 29.968 1.00 0.00 O ATOM 570 CB SER A 37 11.658 15.970 29.043 1.00 0.00 C ATOM 571 OG SER A 37 11.706 14.575 29.305 1.00 0.00 O ATOM 0 H SER A 37 11.326 17.182 31.315 1.00 0.00 H new ATOM 0 HA SER A 37 13.638 15.876 29.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.690 16.393 29.312 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.815 16.182 27.986 1.00 0.00 H new ATOM 0 HG SER A 37 11.008 14.121 28.788 1.00 0.00 H new ATOM 577 N GLY A 38 13.476 17.844 28.003 1.00 0.00 N ATOM 578 CA GLY A 38 13.930 19.087 27.317 1.00 0.00 C ATOM 579 C GLY A 38 12.746 20.022 27.016 1.00 0.00 C ATOM 580 O GLY A 38 12.938 21.192 26.748 1.00 0.00 O ATOM 0 H GLY A 38 13.370 17.026 27.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.656 19.606 27.943 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.437 18.828 26.388 1.00 0.00 H new ATOM 584 N LYS A 39 11.548 19.493 27.068 1.00 0.00 N ATOM 585 CA LYS A 39 10.366 20.351 26.783 1.00 0.00 C ATOM 586 C LYS A 39 10.117 21.351 27.899 1.00 0.00 C ATOM 587 O LYS A 39 10.195 22.545 27.690 1.00 0.00 O ATOM 588 CB LYS A 39 9.131 19.448 26.650 1.00 0.00 C ATOM 589 CG LYS A 39 9.275 18.582 25.399 1.00 0.00 C ATOM 590 CD LYS A 39 7.883 18.256 24.853 1.00 0.00 C ATOM 591 CE LYS A 39 7.996 17.106 23.852 1.00 0.00 C ATOM 592 NZ LYS A 39 8.543 15.892 24.518 1.00 0.00 N ATOM 0 H LYS A 39 11.343 18.519 27.292 1.00 0.00 H new ATOM 0 HA LYS A 39 10.556 20.905 25.864 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.029 18.818 27.534 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.227 20.054 26.585 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.862 19.106 24.644 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.810 17.663 25.637 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.214 17.981 25.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.453 19.134 24.371 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.016 16.886 23.428 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.643 17.398 23.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.967 15.065 24.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.524 15.739 24.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.521 16.022 25.550 1.00 0.00 H new ATOM 606 N LEU A 40 9.822 20.857 29.063 1.00 0.00 N ATOM 607 CA LEU A 40 9.572 21.782 30.187 1.00 0.00 C ATOM 608 C LEU A 40 10.723 22.716 30.300 1.00 0.00 C ATOM 609 O LEU A 40 10.634 23.783 30.877 1.00 0.00 O ATOM 610 CB LEU A 40 9.445 20.956 31.468 1.00 0.00 C ATOM 611 CG LEU A 40 8.142 20.181 31.394 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.400 18.773 30.875 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.517 20.093 32.788 1.00 0.00 C ATOM 0 H LEU A 40 9.744 19.864 29.281 1.00 0.00 H new ATOM 0 HA LEU A 40 8.658 22.353 30.025 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.290 20.274 31.568 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.454 21.605 32.343 1.00 0.00 H new ATOM 0 HG LEU A 40 7.463 20.698 30.716 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.459 18.225 30.826 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.841 18.827 29.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.085 18.257 31.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.582 19.536 32.733 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.204 19.583 33.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.320 21.098 33.162 1.00 0.00 H new ATOM 625 N ARG A 41 11.781 22.289 29.741 1.00 0.00 N ATOM 626 CA ARG A 41 13.005 23.104 29.768 1.00 0.00 C ATOM 627 C ARG A 41 12.878 24.260 28.791 1.00 0.00 C ATOM 628 O ARG A 41 13.343 25.354 29.047 1.00 0.00 O ATOM 629 CB ARG A 41 14.185 22.216 29.350 1.00 0.00 C ATOM 630 CG ARG A 41 15.239 22.233 30.458 1.00 0.00 C ATOM 631 CD ARG A 41 16.013 23.548 30.388 1.00 0.00 C ATOM 632 NE ARG A 41 17.230 23.349 29.553 1.00 0.00 N ATOM 633 CZ ARG A 41 18.151 24.270 29.535 1.00 0.00 C ATOM 634 NH1 ARG A 41 18.736 24.598 30.653 1.00 0.00 N ATOM 635 NH2 ARG A 41 18.457 24.834 28.399 1.00 0.00 N ATOM 0 H ARG A 41 11.864 21.396 29.255 1.00 0.00 H new ATOM 0 HA ARG A 41 13.163 23.503 30.770 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.844 21.196 29.171 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.615 22.577 28.416 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.762 22.128 31.433 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.919 21.389 30.343 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.387 24.331 29.961 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.293 23.874 31.390 1.00 0.00 H new ATOM 0 HE ARG A 41 17.341 22.499 29.000 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.470 24.136 31.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.459 25.317 30.658 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.978 24.552 27.544 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.176 25.557 28.366 1.00 0.00 H new ATOM 649 N MET A 42 12.249 23.993 27.680 1.00 0.00 N ATOM 650 CA MET A 42 12.071 25.047 26.668 1.00 0.00 C ATOM 651 C MET A 42 10.770 25.801 26.902 1.00 0.00 C ATOM 652 O MET A 42 10.607 26.918 26.454 1.00 0.00 O ATOM 653 CB MET A 42 12.019 24.386 25.284 1.00 0.00 C ATOM 654 CG MET A 42 13.435 23.982 24.868 1.00 0.00 C ATOM 655 SD MET A 42 13.622 23.117 23.290 1.00 0.00 S ATOM 656 CE MET A 42 13.388 24.555 22.215 1.00 0.00 C ATOM 0 H MET A 42 11.853 23.085 27.437 1.00 0.00 H new ATOM 0 HA MET A 42 12.901 25.751 26.733 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.371 23.510 25.310 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.595 25.075 24.554 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.046 24.884 24.833 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.848 23.347 25.652 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.500 24.253 21.174 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.390 24.965 22.368 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.133 25.314 22.455 1.00 0.00 H new ATOM 666 N ASN A 43 9.862 25.173 27.602 1.00 0.00 N ATOM 667 CA ASN A 43 8.566 25.834 27.877 1.00 0.00 C ATOM 668 C ASN A 43 8.688 26.758 29.089 1.00 0.00 C ATOM 669 O ASN A 43 8.111 27.827 29.125 1.00 0.00 O ATOM 670 CB ASN A 43 7.531 24.734 28.173 1.00 0.00 C ATOM 671 CG ASN A 43 6.168 25.127 27.590 1.00 0.00 C ATOM 672 OD1 ASN A 43 6.075 25.800 26.581 1.00 0.00 O ATOM 673 ND2 ASN A 43 5.087 24.721 28.191 1.00 0.00 N ATOM 0 H ASN A 43 9.967 24.236 27.991 1.00 0.00 H new ATOM 0 HA ASN A 43 8.262 26.432 27.018 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.860 23.788 27.744 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.446 24.583 29.249 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.171 24.968 27.815 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.156 24.156 29.038 1.00 0.00 H new ATOM 680 N PHE A 44 9.442 26.318 30.055 1.00 0.00 N ATOM 681 CA PHE A 44 9.639 27.130 31.287 1.00 0.00 C ATOM 682 C PHE A 44 8.336 27.769 31.790 1.00 0.00 C ATOM 683 O PHE A 44 8.268 28.969 31.981 1.00 0.00 O ATOM 684 CB PHE A 44 10.650 28.245 30.962 1.00 0.00 C ATOM 685 CG PHE A 44 11.406 28.628 32.238 1.00 0.00 C ATOM 686 CD1 PHE A 44 10.977 29.688 33.019 1.00 0.00 C ATOM 687 CD2 PHE A 44 12.526 27.916 32.627 1.00 0.00 C ATOM 688 CE1 PHE A 44 11.659 30.027 34.171 1.00 0.00 C ATOM 689 CE2 PHE A 44 13.205 28.258 33.779 1.00 0.00 C ATOM 690 CZ PHE A 44 12.773 29.312 34.548 1.00 0.00 C ATOM 0 H PHE A 44 9.934 25.425 30.044 1.00 0.00 H new ATOM 0 HA PHE A 44 9.999 26.470 32.076 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.350 27.906 30.198 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.133 29.115 30.557 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.104 30.253 32.726 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.871 27.088 32.026 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.318 30.854 34.777 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.078 27.696 34.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.307 29.579 35.448 1.00 0.00 H new ATOM 700 N ILE A 45 7.328 26.958 32.005 1.00 0.00 N ATOM 701 CA ILE A 45 6.038 27.513 32.498 1.00 0.00 C ATOM 702 C ILE A 45 5.953 27.381 34.010 1.00 0.00 C ATOM 703 O ILE A 45 6.647 26.577 34.602 1.00 0.00 O ATOM 704 CB ILE A 45 4.880 26.720 31.892 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.188 26.347 30.457 1.00 0.00 C ATOM 706 CG2 ILE A 45 3.620 27.604 31.908 1.00 0.00 C ATOM 707 CD1 ILE A 45 5.206 27.610 29.597 1.00 0.00 C ATOM 0 H ILE A 45 7.346 25.948 31.861 1.00 0.00 H new ATOM 0 HA ILE A 45 5.981 28.563 32.211 1.00 0.00 H new ATOM 0 HB ILE A 45 4.727 25.810 32.473 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.152 25.841 30.400 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.439 25.649 30.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.783 27.053 31.479 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.383 27.881 32.935 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.800 28.505 31.322 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.428 27.343 28.564 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.232 28.097 29.645 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.971 28.292 29.968 1.00 0.00 H new ATOM 719 N ARG A 46 5.107 28.169 34.616 1.00 0.00 N ATOM 720 CA ARG A 46 4.981 28.085 36.086 1.00 0.00 C ATOM 721 C ARG A 46 4.497 26.709 36.493 1.00 0.00 C ATOM 722 O ARG A 46 3.613 26.151 35.871 1.00 0.00 O ATOM 723 CB ARG A 46 3.957 29.121 36.560 1.00 0.00 C ATOM 724 CG ARG A 46 4.144 30.412 35.773 1.00 0.00 C ATOM 725 CD ARG A 46 5.618 30.825 35.808 1.00 0.00 C ATOM 726 NE ARG A 46 6.050 30.971 37.227 1.00 0.00 N ATOM 727 CZ ARG A 46 7.289 31.283 37.489 1.00 0.00 C ATOM 728 NH1 ARG A 46 8.181 30.333 37.537 1.00 0.00 N ATOM 729 NH2 ARG A 46 7.594 32.535 37.694 1.00 0.00 N ATOM 0 H ARG A 46 4.508 28.856 34.159 1.00 0.00 H new ATOM 0 HA ARG A 46 5.956 28.274 36.536 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.946 28.740 36.420 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.081 29.310 37.626 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.819 30.272 34.742 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.524 31.202 36.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.230 30.077 35.304 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.758 31.765 35.274 1.00 0.00 H new ATOM 0 HE ARG A 46 5.383 30.828 37.986 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.905 29.365 37.371 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.155 30.558 37.740 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.869 33.251 37.648 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.558 32.798 37.900 1.00 0.00 H new ATOM 743 N ILE A 47 5.090 26.189 37.525 1.00 0.00 N ATOM 744 CA ILE A 47 4.690 24.840 38.010 1.00 0.00 C ATOM 745 C ILE A 47 4.502 24.840 39.521 1.00 0.00 C ATOM 746 O ILE A 47 5.256 25.458 40.243 1.00 0.00 O ATOM 747 CB ILE A 47 5.801 23.855 37.655 1.00 0.00 C ATOM 748 CG1 ILE A 47 5.865 23.672 36.138 1.00 0.00 C ATOM 749 CG2 ILE A 47 5.474 22.497 38.303 1.00 0.00 C ATOM 750 CD1 ILE A 47 7.289 23.959 35.652 1.00 0.00 C ATOM 0 H ILE A 47 5.836 26.638 38.056 1.00 0.00 H new ATOM 0 HA ILE A 47 3.747 24.558 37.541 1.00 0.00 H new ATOM 0 HB ILE A 47 6.757 24.234 38.015 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.575 22.656 35.870 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.159 24.344 35.649 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.258 21.780 38.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.413 22.615 39.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.519 22.133 37.924 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.338 23.829 34.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.561 24.983 35.907 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.983 23.269 36.132 1.00 0.00 H new ATOM 762 N LEU A 48 3.492 24.146 39.969 1.00 0.00 N ATOM 763 CA LEU A 48 3.232 24.089 41.428 1.00 0.00 C ATOM 764 C LEU A 48 2.724 22.709 41.820 1.00 0.00 C ATOM 765 O LEU A 48 1.878 22.148 41.154 1.00 0.00 O ATOM 766 CB LEU A 48 2.151 25.128 41.774 1.00 0.00 C ATOM 767 CG LEU A 48 2.723 26.535 41.589 1.00 0.00 C ATOM 768 CD1 LEU A 48 1.580 27.553 41.652 1.00 0.00 C ATOM 769 CD2 LEU A 48 3.720 26.829 42.713 1.00 0.00 C ATOM 0 H LEU A 48 2.840 23.619 39.388 1.00 0.00 H new ATOM 0 HA LEU A 48 4.157 24.296 41.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.280 24.990 41.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.815 24.992 42.802 1.00 0.00 H new ATOM 0 HG LEU A 48 3.227 26.603 40.625 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.980 28.558 41.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.861 27.343 40.860 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.084 27.484 42.620 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.129 27.831 42.584 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.212 26.766 43.675 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.529 26.100 42.681 1.00 0.00 H new ATOM 781 N GLU A 49 3.253 22.184 42.890 1.00 0.00 N ATOM 782 CA GLU A 49 2.814 20.853 43.334 1.00 0.00 C ATOM 783 C GLU A 49 1.302 20.728 43.260 1.00 0.00 C ATOM 784 O GLU A 49 0.589 21.706 43.374 1.00 0.00 O ATOM 785 CB GLU A 49 3.265 20.652 44.790 1.00 0.00 C ATOM 786 CG GLU A 49 3.151 21.985 45.536 1.00 0.00 C ATOM 787 CD GLU A 49 3.495 21.772 47.012 1.00 0.00 C ATOM 788 OE1 GLU A 49 3.200 20.688 47.487 1.00 0.00 O ATOM 789 OE2 GLU A 49 4.032 22.707 47.583 1.00 0.00 O ATOM 0 H GLU A 49 3.968 22.626 43.468 1.00 0.00 H new ATOM 0 HA GLU A 49 3.254 20.098 42.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.648 19.896 45.274 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.293 20.291 44.819 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.826 22.719 45.096 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.141 22.383 45.440 1.00 0.00 H new ATOM 796 N GLY A 50 0.836 19.528 43.072 1.00 0.00 N ATOM 797 CA GLY A 50 -0.632 19.321 42.987 1.00 0.00 C ATOM 798 C GLY A 50 -1.077 19.379 41.528 1.00 0.00 C ATOM 799 O GLY A 50 -2.172 18.973 41.192 1.00 0.00 O ATOM 0 H GLY A 50 1.404 18.687 42.974 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.899 18.357 43.420 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.151 20.085 43.566 1.00 0.00 H new ATOM 803 N ASP A 51 -0.215 19.886 40.688 1.00 0.00 N ATOM 804 CA ASP A 51 -0.568 19.978 39.256 1.00 0.00 C ATOM 805 C ASP A 51 -0.466 18.613 38.598 1.00 0.00 C ATOM 806 O ASP A 51 0.365 17.810 38.967 1.00 0.00 O ATOM 807 CB ASP A 51 0.418 20.935 38.567 1.00 0.00 C ATOM 808 CG ASP A 51 -0.069 22.376 38.737 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.726 23.162 39.224 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.209 22.610 38.367 1.00 0.00 O ATOM 0 H ASP A 51 0.710 20.236 40.936 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.591 20.343 39.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.413 20.822 38.998 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.500 20.690 37.508 1.00 0.00 H new ATOM 815 N LYS A 52 -1.313 18.367 37.637 1.00 0.00 N ATOM 816 CA LYS A 52 -1.271 17.069 36.958 1.00 0.00 C ATOM 817 C LYS A 52 -0.322 17.080 35.802 1.00 0.00 C ATOM 818 O LYS A 52 -0.192 18.062 35.098 1.00 0.00 O ATOM 819 CB LYS A 52 -2.681 16.723 36.456 1.00 0.00 C ATOM 820 CG LYS A 52 -3.624 16.610 37.655 1.00 0.00 C ATOM 821 CD LYS A 52 -5.070 16.675 37.163 1.00 0.00 C ATOM 822 CE LYS A 52 -5.960 15.897 38.134 1.00 0.00 C ATOM 823 NZ LYS A 52 -7.384 15.960 37.703 1.00 0.00 N ATOM 0 H LYS A 52 -2.026 19.015 37.302 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.922 16.321 37.670 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.035 17.492 35.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.663 15.785 35.901 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.449 15.673 38.184 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.431 17.417 38.362 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.400 17.712 37.098 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.146 16.253 36.161 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.634 14.858 38.182 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.859 16.309 39.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.974 15.427 38.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.696 16.952 37.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.478 15.546 36.754 1.00 0.00 H new ATOM 837 N VAL A 53 0.331 15.972 35.625 1.00 0.00 N ATOM 838 CA VAL A 53 1.294 15.870 34.519 1.00 0.00 C ATOM 839 C VAL A 53 1.332 14.466 33.935 1.00 0.00 C ATOM 840 O VAL A 53 0.779 13.542 34.498 1.00 0.00 O ATOM 841 CB VAL A 53 2.661 16.182 35.098 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.711 17.645 35.497 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.889 15.317 36.338 1.00 0.00 C ATOM 0 H VAL A 53 0.235 15.136 36.202 1.00 0.00 H new ATOM 0 HA VAL A 53 1.007 16.557 33.723 1.00 0.00 H new ATOM 0 HB VAL A 53 3.432 15.975 34.356 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.691 17.875 35.914 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.534 18.268 34.620 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.943 17.845 36.244 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.870 15.536 36.759 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.119 15.533 37.079 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.840 14.264 36.061 1.00 0.00 H new ATOM 853 N ASN A 54 1.993 14.334 32.809 1.00 0.00 N ATOM 854 CA ASN A 54 2.084 13.001 32.171 1.00 0.00 C ATOM 855 C ASN A 54 3.397 12.349 32.567 1.00 0.00 C ATOM 856 O ASN A 54 4.458 12.857 32.255 1.00 0.00 O ATOM 857 CB ASN A 54 2.033 13.182 30.649 1.00 0.00 C ATOM 858 CG ASN A 54 0.751 12.543 30.110 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.755 11.428 29.630 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.365 13.218 30.171 1.00 0.00 N ATOM 0 H ASN A 54 2.467 15.090 32.315 1.00 0.00 H new ATOM 0 HA ASN A 54 1.257 12.368 32.494 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.060 14.242 30.396 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.906 12.721 30.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.229 12.808 29.816 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.373 14.155 30.574 1.00 0.00 H new ATOM 867 N VAL A 55 3.305 11.230 33.244 1.00 0.00 N ATOM 868 CA VAL A 55 4.536 10.530 33.676 1.00 0.00 C ATOM 869 C VAL A 55 4.814 9.298 32.845 1.00 0.00 C ATOM 870 O VAL A 55 4.039 8.361 32.836 1.00 0.00 O ATOM 871 CB VAL A 55 4.341 10.087 35.131 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.688 9.643 35.710 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.797 11.263 35.949 1.00 0.00 C ATOM 0 H VAL A 55 2.430 10.779 33.511 1.00 0.00 H new ATOM 0 HA VAL A 55 5.376 11.214 33.559 1.00 0.00 H new ATOM 0 HB VAL A 55 3.636 9.257 35.171 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.553 9.327 36.745 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.079 8.811 35.125 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.392 10.475 35.673 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.657 10.952 36.984 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.505 12.091 35.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.841 11.584 35.534 1.00 0.00 H new ATOM 883 N GLU A 56 5.920 9.318 32.161 1.00 0.00 N ATOM 884 CA GLU A 56 6.278 8.160 31.326 1.00 0.00 C ATOM 885 C GLU A 56 7.177 7.237 32.122 1.00 0.00 C ATOM 886 O GLU A 56 8.251 7.628 32.543 1.00 0.00 O ATOM 887 CB GLU A 56 7.039 8.659 30.088 1.00 0.00 C ATOM 888 CG GLU A 56 6.972 7.598 28.982 1.00 0.00 C ATOM 889 CD GLU A 56 6.494 8.253 27.685 1.00 0.00 C ATOM 890 OE1 GLU A 56 7.121 9.230 27.310 1.00 0.00 O ATOM 891 OE2 GLU A 56 5.529 7.741 27.144 1.00 0.00 O ATOM 0 H GLU A 56 6.587 10.090 32.149 1.00 0.00 H new ATOM 0 HA GLU A 56 5.378 7.626 31.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.606 9.595 29.735 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.078 8.866 30.346 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.953 7.146 28.835 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.292 6.797 29.271 1.00 0.00 H new ATOM 898 N LEU A 57 6.726 6.037 32.333 1.00 0.00 N ATOM 899 CA LEU A 57 7.554 5.082 33.107 1.00 0.00 C ATOM 900 C LEU A 57 8.498 4.316 32.192 1.00 0.00 C ATOM 901 O LEU A 57 8.121 3.920 31.100 1.00 0.00 O ATOM 902 CB LEU A 57 6.616 4.088 33.807 1.00 0.00 C ATOM 903 CG LEU A 57 5.629 4.865 34.684 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.546 3.908 35.193 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.377 5.458 35.877 1.00 0.00 C ATOM 0 H LEU A 57 5.828 5.679 32.006 1.00 0.00 H new ATOM 0 HA LEU A 57 8.151 5.633 33.833 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.077 3.495 33.068 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.192 3.391 34.416 1.00 0.00 H new ATOM 0 HG LEU A 57 5.170 5.665 34.103 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.841 4.456 35.818 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.017 3.473 34.345 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.009 3.114 35.779 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.679 6.012 36.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.829 4.655 36.459 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.157 6.131 35.520 1.00 0.00 H new ATOM 917 N SER A 58 9.714 4.115 32.654 1.00 0.00 N ATOM 918 CA SER A 58 10.698 3.373 31.817 1.00 0.00 C ATOM 919 C SER A 58 10.728 1.870 32.182 1.00 0.00 C ATOM 920 O SER A 58 10.790 1.521 33.343 1.00 0.00 O ATOM 921 CB SER A 58 12.094 3.964 32.083 1.00 0.00 C ATOM 922 OG SER A 58 12.089 5.193 31.370 1.00 0.00 O ATOM 0 H SER A 58 10.057 4.430 33.561 1.00 0.00 H new ATOM 0 HA SER A 58 10.411 3.470 30.770 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.264 4.121 33.148 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.883 3.300 31.729 1.00 0.00 H new ATOM 0 HG SER A 58 12.952 5.643 31.488 1.00 0.00 H new ATOM 928 N PRO A 59 10.680 0.994 31.166 1.00 0.00 N ATOM 929 CA PRO A 59 10.704 -0.449 31.405 1.00 0.00 C ATOM 930 C PRO A 59 12.051 -0.886 31.973 1.00 0.00 C ATOM 931 O PRO A 59 12.251 -2.042 32.287 1.00 0.00 O ATOM 932 CB PRO A 59 10.511 -1.090 30.015 1.00 0.00 C ATOM 933 CG PRO A 59 10.513 0.064 28.970 1.00 0.00 C ATOM 934 CD PRO A 59 10.579 1.387 29.751 1.00 0.00 C ATOM 0 HA PRO A 59 9.937 -0.743 32.121 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.311 -1.800 29.805 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.573 -1.644 29.974 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.366 -0.028 28.297 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.615 0.026 28.354 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.439 1.983 29.445 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.691 1.994 29.573 1.00 0.00 H new ATOM 942 N TYR A 60 12.948 0.053 32.093 1.00 0.00 N ATOM 943 CA TYR A 60 14.264 -0.267 32.626 1.00 0.00 C ATOM 944 C TYR A 60 14.253 -0.048 34.110 1.00 0.00 C ATOM 945 O TYR A 60 15.049 -0.602 34.841 1.00 0.00 O ATOM 946 CB TYR A 60 15.296 0.676 31.988 1.00 0.00 C ATOM 947 CG TYR A 60 15.903 0.007 30.754 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.438 0.315 29.492 1.00 0.00 C ATOM 949 CD2 TYR A 60 16.929 -0.908 30.884 1.00 0.00 C ATOM 950 CE1 TYR A 60 15.988 -0.283 28.377 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.480 -1.505 29.769 1.00 0.00 C ATOM 952 CZ TYR A 60 17.014 -1.196 28.507 1.00 0.00 C ATOM 953 OH TYR A 60 17.567 -1.792 27.391 1.00 0.00 O ATOM 0 H TYR A 60 12.807 1.030 31.838 1.00 0.00 H new ATOM 0 HA TYR A 60 14.518 -1.304 32.406 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.821 1.617 31.709 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.079 0.916 32.707 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.637 1.030 29.376 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.303 -1.158 31.866 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.613 -0.035 27.395 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.282 -2.219 29.884 1.00 0.00 H new ATOM 0 HH TYR A 60 18.278 -2.407 27.667 1.00 0.00 H new ATOM 963 N ASP A 61 13.337 0.773 34.528 1.00 0.00 N ATOM 964 CA ASP A 61 13.223 1.066 35.953 1.00 0.00 C ATOM 965 C ASP A 61 11.783 1.404 36.306 1.00 0.00 C ATOM 966 O ASP A 61 11.394 2.555 36.305 1.00 0.00 O ATOM 967 CB ASP A 61 14.118 2.272 36.280 1.00 0.00 C ATOM 968 CG ASP A 61 15.567 1.802 36.428 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.861 1.280 37.490 1.00 0.00 O ATOM 970 OD2 ASP A 61 16.298 1.993 35.470 1.00 0.00 O ATOM 0 H ASP A 61 12.663 1.251 33.929 1.00 0.00 H new ATOM 0 HA ASP A 61 13.533 0.194 36.528 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.045 3.019 35.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.783 2.749 37.201 1.00 0.00 H new ATOM 975 N LEU A 62 11.014 0.390 36.601 1.00 0.00 N ATOM 976 CA LEU A 62 9.597 0.632 36.955 1.00 0.00 C ATOM 977 C LEU A 62 9.494 1.379 38.268 1.00 0.00 C ATOM 978 O LEU A 62 8.459 1.390 38.905 1.00 0.00 O ATOM 979 CB LEU A 62 8.887 -0.724 37.092 1.00 0.00 C ATOM 980 CG LEU A 62 8.941 -1.453 35.748 1.00 0.00 C ATOM 981 CD1 LEU A 62 8.915 -2.960 35.995 1.00 0.00 C ATOM 982 CD2 LEU A 62 7.721 -1.060 34.912 1.00 0.00 C ATOM 0 H LEU A 62 11.308 -0.587 36.611 1.00 0.00 H new ATOM 0 HA LEU A 62 9.132 1.234 36.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.367 -1.324 37.865 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.852 -0.577 37.399 1.00 0.00 H new ATOM 0 HG LEU A 62 9.853 -1.181 35.218 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.953 -3.486 35.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.775 -3.244 36.601 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.998 -3.227 36.520 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.755 -1.577 33.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.811 -1.339 35.443 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.727 0.017 34.744 1.00 0.00 H new ATOM 994 N THR A 63 10.577 1.992 38.636 1.00 0.00 N ATOM 995 CA THR A 63 10.611 2.761 39.900 1.00 0.00 C ATOM 996 C THR A 63 10.773 4.245 39.614 1.00 0.00 C ATOM 997 O THR A 63 10.667 5.065 40.503 1.00 0.00 O ATOM 998 CB THR A 63 11.818 2.288 40.708 1.00 0.00 C ATOM 999 OG1 THR A 63 12.823 2.015 39.752 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.537 0.932 41.371 1.00 0.00 C ATOM 0 H THR A 63 11.450 1.992 38.108 1.00 0.00 H new ATOM 0 HA THR A 63 9.681 2.604 40.446 1.00 0.00 H new ATOM 0 HB THR A 63 12.073 3.034 41.461 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.633 1.706 40.208 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.412 0.617 41.940 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.682 1.025 42.041 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.318 0.190 40.603 1.00 0.00 H new ATOM 1008 N ARG A 64 11.033 4.563 38.367 1.00 0.00 N ATOM 1009 CA ARG A 64 11.208 5.991 37.995 1.00 0.00 C ATOM 1010 C ARG A 64 10.568 6.299 36.641 1.00 0.00 C ATOM 1011 O ARG A 64 10.460 5.437 35.776 1.00 0.00 O ATOM 1012 CB ARG A 64 12.715 6.285 37.897 1.00 0.00 C ATOM 1013 CG ARG A 64 13.335 6.232 39.296 1.00 0.00 C ATOM 1014 CD ARG A 64 14.848 6.044 39.164 1.00 0.00 C ATOM 1015 NE ARG A 64 15.539 7.015 40.060 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.326 7.918 39.541 1.00 0.00 C ATOM 1017 NH1 ARG A 64 16.223 9.154 39.949 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.193 7.556 38.635 1.00 0.00 N ATOM 0 H ARG A 64 11.130 3.896 37.601 1.00 0.00 H new ATOM 0 HA ARG A 64 10.727 6.608 38.754 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.197 5.556 37.246 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.877 7.267 37.452 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.116 7.151 39.840 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.902 5.412 39.869 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.125 5.024 39.430 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.158 6.199 38.131 1.00 0.00 H new ATOM 0 HE ARG A 64 15.398 6.974 41.069 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.536 9.400 40.662 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.829 9.873 39.555 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.248 6.580 38.343 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.815 8.249 38.219 1.00 0.00 H new ATOM 1032 N GLY A 65 10.154 7.527 36.487 1.00 0.00 N ATOM 1033 CA GLY A 65 9.514 7.946 35.206 1.00 0.00 C ATOM 1034 C GLY A 65 10.021 9.335 34.816 1.00 0.00 C ATOM 1035 O GLY A 65 11.119 9.715 35.175 1.00 0.00 O ATOM 0 H GLY A 65 10.231 8.259 37.193 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.745 7.228 34.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.430 7.960 35.316 1.00 0.00 H new ATOM 1039 N ARG A 66 9.229 10.066 34.083 1.00 0.00 N ATOM 1040 CA ARG A 66 9.692 11.426 33.687 1.00 0.00 C ATOM 1041 C ARG A 66 8.549 12.310 33.187 1.00 0.00 C ATOM 1042 O ARG A 66 7.710 11.880 32.420 1.00 0.00 O ATOM 1043 CB ARG A 66 10.722 11.269 32.558 1.00 0.00 C ATOM 1044 CG ARG A 66 10.259 10.167 31.609 1.00 0.00 C ATOM 1045 CD ARG A 66 11.290 9.998 30.494 1.00 0.00 C ATOM 1046 NE ARG A 66 12.653 9.994 31.094 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.696 10.010 30.312 1.00 0.00 C ATOM 1048 NH1 ARG A 66 14.214 8.874 29.931 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.187 11.158 29.938 1.00 0.00 N ATOM 0 H ARG A 66 8.305 9.792 33.748 1.00 0.00 H new ATOM 0 HA ARG A 66 10.120 11.908 34.566 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.833 12.209 32.017 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.699 11.022 32.972 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.137 9.230 32.153 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.287 10.419 31.186 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.113 9.068 29.955 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.199 10.808 29.770 1.00 0.00 H new ATOM 0 HE ARG A 66 12.769 9.979 32.107 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.803 7.995 30.245 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.030 8.865 29.319 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.756 12.025 30.257 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.003 11.189 29.326 1.00 0.00 H new ATOM 1063 N ILE A 67 8.546 13.545 33.643 1.00 0.00 N ATOM 1064 CA ILE A 67 7.483 14.491 33.220 1.00 0.00 C ATOM 1065 C ILE A 67 7.956 15.273 32.010 1.00 0.00 C ATOM 1066 O ILE A 67 8.983 15.923 32.060 1.00 0.00 O ATOM 1067 CB ILE A 67 7.234 15.484 34.352 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.887 14.743 35.642 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.052 16.389 33.962 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.619 13.908 35.438 1.00 0.00 C ATOM 0 H ILE A 67 9.237 13.929 34.288 1.00 0.00 H new ATOM 0 HA ILE A 67 6.576 13.936 32.980 1.00 0.00 H new ATOM 0 HB ILE A 67 8.134 16.076 34.515 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.715 14.097 35.935 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.737 15.456 36.452 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.862 17.104 34.762 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.292 16.926 33.044 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.163 15.778 33.803 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.377 13.382 36.362 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.792 14.563 35.166 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.785 13.183 34.641 1.00 0.00 H new ATOM 1082 N THR A 68 7.204 15.197 30.951 1.00 0.00 N ATOM 1083 CA THR A 68 7.588 15.928 29.715 1.00 0.00 C ATOM 1084 C THR A 68 6.455 16.832 29.256 1.00 0.00 C ATOM 1085 O THR A 68 6.521 17.422 28.197 1.00 0.00 O ATOM 1086 CB THR A 68 7.883 14.885 28.618 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.816 14.974 27.691 1.00 0.00 O ATOM 1088 CG2 THR A 68 7.781 13.460 29.184 1.00 0.00 C ATOM 0 H THR A 68 6.339 14.660 30.888 1.00 0.00 H new ATOM 0 HA THR A 68 8.464 16.546 29.911 1.00 0.00 H new ATOM 0 HB THR A 68 8.873 15.069 28.202 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.994 14.637 28.105 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.993 12.739 28.394 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.503 13.337 29.991 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.775 13.292 29.568 1.00 0.00 H new ATOM 1096 N TRP A 69 5.431 16.933 30.062 1.00 0.00 N ATOM 1097 CA TRP A 69 4.299 17.793 29.668 1.00 0.00 C ATOM 1098 C TRP A 69 3.333 18.008 30.825 1.00 0.00 C ATOM 1099 O TRP A 69 3.386 17.321 31.826 1.00 0.00 O ATOM 1100 CB TRP A 69 3.553 17.063 28.538 1.00 0.00 C ATOM 1101 CG TRP A 69 3.990 15.583 28.541 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.227 14.882 29.644 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.235 14.869 27.469 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.644 13.694 29.191 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.677 13.598 27.808 1.00 0.00 C ATOM 1106 CE3 TRP A 69 4.112 15.218 26.135 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.991 12.690 26.820 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.428 14.304 25.150 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.867 13.042 25.492 1.00 0.00 C ATOM 0 H TRP A 69 5.338 16.461 30.961 1.00 0.00 H new ATOM 0 HA TRP A 69 4.674 18.768 29.357 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.476 17.140 28.683 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.779 17.523 27.576 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.110 15.198 30.670 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.913 12.928 29.808 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.769 16.206 25.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.335 11.701 27.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.331 14.578 24.110 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.114 12.329 24.719 1.00 0.00 H new ATOM 1120 N ARG A 70 2.469 18.968 30.657 1.00 0.00 N ATOM 1121 CA ARG A 70 1.488 19.268 31.699 1.00 0.00 C ATOM 1122 C ARG A 70 0.161 19.682 31.069 1.00 0.00 C ATOM 1123 O ARG A 70 0.113 20.585 30.258 1.00 0.00 O ATOM 1124 CB ARG A 70 2.018 20.424 32.561 1.00 0.00 C ATOM 1125 CG ARG A 70 1.049 20.661 33.728 1.00 0.00 C ATOM 1126 CD ARG A 70 0.848 22.168 33.934 1.00 0.00 C ATOM 1127 NE ARG A 70 2.038 22.720 34.641 1.00 0.00 N ATOM 1128 CZ ARG A 70 1.866 23.580 35.609 1.00 0.00 C ATOM 1129 NH1 ARG A 70 1.509 24.799 35.313 1.00 0.00 N ATOM 1130 NH2 ARG A 70 2.056 23.190 36.840 1.00 0.00 N ATOM 0 H ARG A 70 2.411 19.557 29.827 1.00 0.00 H new ATOM 0 HA ARG A 70 1.329 18.380 32.311 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.012 20.187 32.939 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.113 21.329 31.961 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.092 20.181 33.522 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.443 20.209 34.638 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.716 22.666 32.973 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.055 22.352 34.516 1.00 0.00 H new ATOM 0 HE ARG A 70 2.978 22.429 34.372 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.369 25.067 34.339 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.370 25.484 36.056 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.334 22.228 37.033 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.926 23.847 37.609 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.892 19.013 31.453 1.00 0.00 N ATOM 1145 CA LYS A 71 -2.224 19.354 30.884 1.00 0.00 C ATOM 1146 C LYS A 71 -2.443 20.861 30.839 1.00 0.00 C ATOM 1147 O LYS A 71 -1.814 21.608 31.563 1.00 0.00 O ATOM 1148 CB LYS A 71 -3.306 18.726 31.773 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.654 18.811 31.053 1.00 0.00 C ATOM 1150 CD LYS A 71 -5.327 17.437 31.078 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.777 17.121 32.506 1.00 0.00 C ATOM 1152 NZ LYS A 71 -6.957 16.211 32.493 1.00 0.00 N ATOM 0 H LYS A 71 -0.887 18.251 32.131 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.275 18.970 29.865 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.059 17.686 31.989 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.356 19.247 32.729 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.292 19.550 31.537 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.510 19.140 30.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.183 17.426 30.404 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.634 16.673 30.725 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.959 16.657 33.057 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.029 18.045 33.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.249 16.007 33.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.742 16.667 31.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.705 15.323 32.014 1.00 0.00 H new