USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -151:sc= 0.408 USER MOD Single : A 22 THR OG1 : rot -92:sc= 1.19 USER MOD Single : A 27 SER OG : rot 8:sc= 0.576! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 0:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -5.6! K(o=-5.6!,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= -0.706 K(o=-0.71,f=-1.6) USER MOD Single : A 58 HIS : no HD1:sc= -2.01! C(o=-2!,f=-6.6!) USER MOD Single : A 59 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -1.075 11.471 1.393 1.00 0.00 N ATOM 82 CA PRO A 9 -0.762 10.070 1.096 1.00 0.00 C ATOM 83 C PRO A 9 -1.142 9.681 -0.329 1.00 0.00 C ATOM 84 O PRO A 9 -1.592 10.517 -1.112 1.00 0.00 O ATOM 85 CB PRO A 9 -1.611 9.295 2.106 1.00 0.00 C ATOM 86 CG PRO A 9 -2.745 10.207 2.427 1.00 0.00 C ATOM 87 CD PRO A 9 -2.189 11.602 2.346 1.00 0.00 C ATOM 0 HA PRO A 9 0.306 9.866 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.966 8.354 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.037 9.048 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.566 10.072 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.142 10.002 3.421 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.937 12.313 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.846 11.955 3.319 1.00 0.00 H new ATOM 95 N ILE A 10 -0.957 8.407 -0.658 1.00 0.00 N ATOM 96 CA ILE A 10 -1.282 7.907 -1.988 1.00 0.00 C ATOM 97 C ILE A 10 -2.249 6.730 -1.913 1.00 0.00 C ATOM 98 O ILE A 10 -1.931 5.689 -1.339 1.00 0.00 O ATOM 99 CB ILE A 10 -0.017 7.469 -2.750 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.083 8.523 -2.604 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.338 7.230 -4.217 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.445 8.041 -3.052 1.00 0.00 C ATOM 0 H ILE A 10 -0.584 7.702 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.755 8.729 -2.526 1.00 0.00 H new ATOM 0 HB ILE A 10 0.342 6.534 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.810 9.404 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.141 8.833 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.566 6.921 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.092 6.447 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.719 8.150 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.175 8.840 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.740 7.178 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.403 7.758 -4.104 1.00 0.00 H new ATOM 114 N GLU A 11 -3.430 6.904 -2.497 1.00 0.00 N ATOM 115 CA GLU A 11 -4.443 5.855 -2.497 1.00 0.00 C ATOM 116 C GLU A 11 -4.104 4.770 -3.514 1.00 0.00 C ATOM 117 O GLU A 11 -4.177 4.991 -4.722 1.00 0.00 O ATOM 118 CB GLU A 11 -5.821 6.445 -2.805 1.00 0.00 C ATOM 119 CG GLU A 11 -6.530 7.006 -1.584 1.00 0.00 C ATOM 120 CD GLU A 11 -7.501 8.117 -1.932 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.028 8.110 -3.065 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.735 8.993 -1.073 1.00 0.00 O ATOM 0 H GLU A 11 -3.709 7.760 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.462 5.405 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.710 7.237 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.445 5.673 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.068 6.203 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.789 7.384 -0.880 1.00 0.00 H new ATOM 129 N ALA A 12 -3.730 3.595 -3.016 1.00 0.00 N ATOM 130 CA ALA A 12 -3.380 2.475 -3.880 1.00 0.00 C ATOM 131 C ALA A 12 -4.455 1.394 -3.840 1.00 0.00 C ATOM 132 O ALA A 12 -5.198 1.280 -2.864 1.00 0.00 O ATOM 133 CB ALA A 12 -2.033 1.897 -3.475 1.00 0.00 C ATOM 0 H ALA A 12 -3.662 3.395 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.311 2.845 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.784 1.061 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.266 2.666 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.082 1.548 -2.443 1.00 0.00 H new ATOM 139 N ILE A 13 -4.534 0.605 -4.905 1.00 0.00 N ATOM 140 CA ILE A 13 -5.518 -0.467 -4.991 1.00 0.00 C ATOM 141 C ILE A 13 -4.848 -1.835 -4.923 1.00 0.00 C ATOM 142 O ILE A 13 -3.852 -2.084 -5.601 1.00 0.00 O ATOM 143 CB ILE A 13 -6.340 -0.374 -6.290 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.137 0.932 -6.322 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.270 -1.572 -6.415 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.968 1.163 -5.080 1.00 0.00 C ATOM 0 H ILE A 13 -3.928 0.688 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.187 -0.350 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.655 -0.381 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.447 1.766 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.793 0.927 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.844 -1.492 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.681 -2.489 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.951 -1.594 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.506 2.107 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.683 0.348 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.316 1.201 -4.208 1.00 0.00 H new ATOM 158 N ALA A 14 -5.404 -2.720 -4.101 1.00 0.00 N ATOM 159 CA ALA A 14 -4.863 -4.065 -3.948 1.00 0.00 C ATOM 160 C ALA A 14 -5.105 -4.900 -5.200 1.00 0.00 C ATOM 161 O ALA A 14 -6.247 -5.196 -5.551 1.00 0.00 O ATOM 162 CB ALA A 14 -5.475 -4.744 -2.732 1.00 0.00 C ATOM 0 H ALA A 14 -6.228 -2.529 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.786 -3.982 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.062 -5.748 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.246 -4.164 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.556 -4.807 -2.856 1.00 0.00 H new ATOM 168 N LYS A 15 -4.023 -5.277 -5.873 1.00 0.00 N ATOM 169 CA LYS A 15 -4.116 -6.079 -7.087 1.00 0.00 C ATOM 170 C LYS A 15 -4.576 -7.498 -6.767 1.00 0.00 C ATOM 171 O LYS A 15 -5.329 -8.103 -7.530 1.00 0.00 O ATOM 172 CB LYS A 15 -2.764 -6.119 -7.802 1.00 0.00 C ATOM 173 CG LYS A 15 -2.593 -5.025 -8.842 1.00 0.00 C ATOM 174 CD LYS A 15 -1.620 -5.441 -9.933 1.00 0.00 C ATOM 175 CE LYS A 15 -0.186 -5.092 -9.563 1.00 0.00 C ATOM 176 NZ LYS A 15 0.798 -5.876 -10.359 1.00 0.00 N ATOM 0 H LYS A 15 -3.070 -5.039 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.853 -5.616 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.968 -6.033 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.646 -7.089 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.560 -4.789 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.234 -4.116 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.702 -6.514 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.886 -4.947 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.018 -4.027 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.028 -5.282 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.763 -5.610 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.655 -6.891 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.665 -5.675 -11.371 1.00 0.00 H new ATOM 190 N PHE A 16 -4.120 -8.022 -5.635 1.00 0.00 N ATOM 191 CA PHE A 16 -4.486 -9.370 -5.215 1.00 0.00 C ATOM 192 C PHE A 16 -4.562 -9.463 -3.693 1.00 0.00 C ATOM 193 O PHE A 16 -3.790 -8.820 -2.982 1.00 0.00 O ATOM 194 CB PHE A 16 -3.475 -10.386 -5.750 1.00 0.00 C ATOM 195 CG PHE A 16 -2.924 -10.029 -7.100 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.605 -10.378 -8.255 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.725 -9.344 -7.215 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.099 -10.051 -9.499 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.215 -9.014 -8.456 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.903 -9.367 -9.600 1.00 0.00 C ATOM 0 H PHE A 16 -3.496 -7.534 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.470 -9.597 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.651 -10.474 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.951 -11.365 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.541 -10.911 -8.183 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.183 -9.065 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.639 -10.330 -10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.279 -8.480 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.507 -9.109 -10.571 1.00 0.00 H new ATOM 210 N ASP A 17 -5.498 -10.268 -3.202 1.00 0.00 N ATOM 211 CA ASP A 17 -5.675 -10.447 -1.766 1.00 0.00 C ATOM 212 C ASP A 17 -4.372 -10.892 -1.109 1.00 0.00 C ATOM 213 O ASP A 17 -3.957 -12.043 -1.247 1.00 0.00 O ATOM 214 CB ASP A 17 -6.776 -11.473 -1.490 1.00 0.00 C ATOM 215 CG ASP A 17 -6.717 -12.654 -2.439 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.596 -13.098 -2.765 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.792 -13.135 -2.854 1.00 0.00 O ATOM 0 H ASP A 17 -6.146 -10.807 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.967 -9.488 -1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.687 -11.830 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.749 -10.990 -1.576 1.00 0.00 H new ATOM 222 N TYR A 18 -3.732 -9.973 -0.395 1.00 0.00 N ATOM 223 CA TYR A 18 -2.474 -10.269 0.281 1.00 0.00 C ATOM 224 C TYR A 18 -2.687 -10.427 1.783 1.00 0.00 C ATOM 225 O TYR A 18 -3.579 -9.808 2.364 1.00 0.00 O ATOM 226 CB TYR A 18 -1.454 -9.161 0.013 1.00 0.00 C ATOM 227 CG TYR A 18 -0.056 -9.500 0.479 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.715 -10.437 -0.199 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.493 -8.885 1.597 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.993 -10.750 0.223 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.770 -9.191 2.025 1.00 0.00 C ATOM 232 CZ TYR A 18 2.516 -10.124 1.336 1.00 0.00 C ATOM 233 OH TYR A 18 3.788 -10.433 1.760 1.00 0.00 O ATOM 0 H TYR A 18 -4.063 -9.017 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.091 -11.210 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.431 -8.951 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.782 -8.248 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.308 -10.929 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.089 -8.155 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.579 -11.480 -0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.182 -8.702 2.895 1.00 0.00 H new ATOM 0 HH TYR A 18 3.850 -10.304 2.729 1.00 0.00 H new ATOM 243 N VAL A 19 -1.860 -11.260 2.407 1.00 0.00 N ATOM 244 CA VAL A 19 -1.955 -11.500 3.842 1.00 0.00 C ATOM 245 C VAL A 19 -0.600 -11.328 4.518 1.00 0.00 C ATOM 246 O VAL A 19 0.321 -12.113 4.295 1.00 0.00 O ATOM 247 CB VAL A 19 -2.491 -12.913 4.141 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.669 -13.962 3.407 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.492 -13.176 5.639 1.00 0.00 C ATOM 0 H VAL A 19 -1.117 -11.780 1.941 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.653 -10.764 4.241 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.519 -12.976 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.062 -14.954 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.725 -13.782 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.630 -13.902 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.874 -14.179 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.475 -13.094 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.128 -12.444 6.137 1.00 0.00 H new ATOM 259 N GLY A 20 -0.485 -10.296 5.348 1.00 0.00 N ATOM 260 CA GLY A 20 0.762 -10.040 6.045 1.00 0.00 C ATOM 261 C GLY A 20 1.280 -11.263 6.774 1.00 0.00 C ATOM 262 O GLY A 20 0.750 -11.643 7.819 1.00 0.00 O ATOM 0 H GLY A 20 -1.233 -9.633 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.512 -9.703 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.616 -9.230 6.759 1.00 0.00 H new ATOM 266 N ARG A 21 2.318 -11.883 6.223 1.00 0.00 N ATOM 267 CA ARG A 21 2.906 -13.073 6.826 1.00 0.00 C ATOM 268 C ARG A 21 3.377 -12.785 8.249 1.00 0.00 C ATOM 269 O ARG A 21 3.282 -13.639 9.131 1.00 0.00 O ATOM 270 CB ARG A 21 4.079 -13.573 5.981 1.00 0.00 C ATOM 271 CG ARG A 21 3.681 -14.597 4.931 1.00 0.00 C ATOM 272 CD ARG A 21 3.619 -15.999 5.516 1.00 0.00 C ATOM 273 NE ARG A 21 3.341 -17.006 4.496 1.00 0.00 N ATOM 274 CZ ARG A 21 2.143 -17.190 3.952 1.00 0.00 C ATOM 275 NH1 ARG A 21 1.118 -16.438 4.329 1.00 0.00 N ATOM 276 NH2 ARG A 21 1.969 -18.128 3.029 1.00 0.00 N ATOM 0 H ARG A 21 2.769 -11.581 5.360 1.00 0.00 H new ATOM 0 HA ARG A 21 2.139 -13.847 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.548 -12.722 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.828 -14.013 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.710 -14.333 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.398 -14.575 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.565 -16.230 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.846 -16.038 6.284 1.00 0.00 H new ATOM 0 HE ARG A 21 4.109 -17.601 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.248 -15.716 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.199 -16.581 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.755 -18.708 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.049 -18.269 2.612 1.00 0.00 H new ATOM 290 N THR A 22 3.886 -11.576 8.465 1.00 0.00 N ATOM 291 CA THR A 22 4.372 -11.176 9.779 1.00 0.00 C ATOM 292 C THR A 22 3.658 -9.922 10.272 1.00 0.00 C ATOM 293 O THR A 22 2.944 -9.266 9.515 1.00 0.00 O ATOM 294 CB THR A 22 5.890 -10.915 9.760 1.00 0.00 C ATOM 295 OG1 THR A 22 6.188 -9.822 8.885 1.00 0.00 O ATOM 296 CG2 THR A 22 6.647 -12.154 9.308 1.00 0.00 C ATOM 0 H THR A 22 3.972 -10.857 7.747 1.00 0.00 H new ATOM 0 HA THR A 22 4.161 -12.001 10.459 1.00 0.00 H new ATOM 0 HB THR A 22 6.206 -10.666 10.773 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.381 -10.165 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.717 -11.945 9.303 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.441 -12.976 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.326 -12.430 8.303 1.00 0.00 H new ATOM 304 N ALA A 23 3.858 -9.595 11.544 1.00 0.00 N ATOM 305 CA ALA A 23 3.235 -8.418 12.137 1.00 0.00 C ATOM 306 C ALA A 23 3.540 -7.166 11.321 1.00 0.00 C ATOM 307 O ALA A 23 2.673 -6.314 11.126 1.00 0.00 O ATOM 308 CB ALA A 23 3.701 -8.241 13.574 1.00 0.00 C ATOM 0 H ALA A 23 4.447 -10.128 12.184 1.00 0.00 H new ATOM 0 HA ALA A 23 2.155 -8.568 12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.228 -7.358 14.004 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.426 -9.120 14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.784 -8.117 13.593 1.00 0.00 H new ATOM 314 N ARG A 24 4.777 -7.061 10.848 1.00 0.00 N ATOM 315 CA ARG A 24 5.197 -5.912 10.055 1.00 0.00 C ATOM 316 C ARG A 24 4.322 -5.759 8.815 1.00 0.00 C ATOM 317 O ARG A 24 3.796 -4.680 8.544 1.00 0.00 O ATOM 318 CB ARG A 24 6.663 -6.057 9.644 1.00 0.00 C ATOM 319 CG ARG A 24 7.639 -5.467 10.648 1.00 0.00 C ATOM 320 CD ARG A 24 7.864 -3.983 10.401 1.00 0.00 C ATOM 321 NE ARG A 24 8.521 -3.333 11.531 1.00 0.00 N ATOM 322 CZ ARG A 24 7.905 -3.045 12.673 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.625 -3.349 12.834 1.00 0.00 N ATOM 324 NH2 ARG A 24 8.571 -2.453 13.656 1.00 0.00 N ATOM 0 H ARG A 24 5.506 -7.758 11.000 1.00 0.00 H new ATOM 0 HA ARG A 24 5.086 -5.018 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.890 -7.114 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.810 -5.572 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.257 -5.615 11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.590 -5.996 10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.471 -3.853 9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.907 -3.498 10.211 1.00 0.00 H new ATOM 0 HE ARG A 24 9.506 -3.086 11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.110 -3.805 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.155 -3.127 13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.556 -2.219 13.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.098 -2.232 14.532 1.00 0.00 H new ATOM 338 N GLU A 25 4.172 -6.846 8.064 1.00 0.00 N ATOM 339 CA GLU A 25 3.362 -6.831 6.852 1.00 0.00 C ATOM 340 C GLU A 25 1.885 -6.641 7.186 1.00 0.00 C ATOM 341 O GLU A 25 1.448 -6.927 8.302 1.00 0.00 O ATOM 342 CB GLU A 25 3.555 -8.130 6.067 1.00 0.00 C ATOM 343 CG GLU A 25 4.988 -8.361 5.615 1.00 0.00 C ATOM 344 CD GLU A 25 5.324 -9.832 5.471 1.00 0.00 C ATOM 345 OE1 GLU A 25 5.038 -10.402 4.397 1.00 0.00 O ATOM 346 OE2 GLU A 25 5.871 -10.413 6.430 1.00 0.00 O ATOM 0 H GLU A 25 4.601 -7.747 8.274 1.00 0.00 H new ATOM 0 HA GLU A 25 3.689 -5.992 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.238 -8.969 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.905 -8.116 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.149 -7.860 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.670 -7.905 6.333 1.00 0.00 H new ATOM 353 N LEU A 26 1.122 -6.155 6.213 1.00 0.00 N ATOM 354 CA LEU A 26 -0.306 -5.926 6.403 1.00 0.00 C ATOM 355 C LEU A 26 -1.129 -6.874 5.537 1.00 0.00 C ATOM 356 O LEU A 26 -0.748 -7.191 4.411 1.00 0.00 O ATOM 357 CB LEU A 26 -0.658 -4.475 6.069 1.00 0.00 C ATOM 358 CG LEU A 26 0.156 -3.403 6.794 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.078 -2.039 6.164 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.196 -3.376 8.275 1.00 0.00 C ATOM 0 H LEU A 26 1.468 -5.912 5.285 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.545 -6.120 7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.537 -4.331 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.713 -4.317 6.295 1.00 0.00 H new ATOM 0 HG LEU A 26 1.213 -3.649 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.509 -1.288 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.224 -2.065 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.136 -1.784 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.393 -2.607 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.257 -3.155 8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.023 -4.347 8.719 1.00 0.00 H new ATOM 372 N SER A 27 -2.262 -7.321 6.071 1.00 0.00 N ATOM 373 CA SER A 27 -3.139 -8.234 5.347 1.00 0.00 C ATOM 374 C SER A 27 -4.322 -7.485 4.741 1.00 0.00 C ATOM 375 O SER A 27 -5.100 -6.850 5.453 1.00 0.00 O ATOM 376 CB SER A 27 -3.643 -9.337 6.280 1.00 0.00 C ATOM 377 OG SER A 27 -4.644 -8.847 7.155 1.00 0.00 O ATOM 0 H SER A 27 -2.594 -7.066 7.001 1.00 0.00 H new ATOM 0 HA SER A 27 -2.565 -8.686 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.043 -10.162 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.811 -9.735 6.861 1.00 0.00 H new ATOM 0 HG SER A 27 -4.895 -7.938 6.888 1.00 0.00 H new ATOM 383 N PHE A 28 -4.450 -7.563 3.421 1.00 0.00 N ATOM 384 CA PHE A 28 -5.537 -6.892 2.717 1.00 0.00 C ATOM 385 C PHE A 28 -6.115 -7.790 1.627 1.00 0.00 C ATOM 386 O PHE A 28 -5.482 -8.756 1.201 1.00 0.00 O ATOM 387 CB PHE A 28 -5.043 -5.580 2.104 1.00 0.00 C ATOM 388 CG PHE A 28 -3.789 -5.734 1.290 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.852 -6.125 -0.037 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.547 -5.488 1.854 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.701 -6.267 -0.789 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.393 -5.628 1.107 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.469 -6.019 -0.215 1.00 0.00 C ATOM 0 H PHE A 28 -3.815 -8.084 2.817 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.324 -6.674 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.828 -5.165 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.862 -4.860 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.813 -6.321 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.481 -5.184 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.765 -6.571 -1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.431 -5.432 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.567 -6.131 -0.799 1.00 0.00 H new ATOM 403 N LYS A 29 -7.324 -7.464 1.181 1.00 0.00 N ATOM 404 CA LYS A 29 -7.990 -8.239 0.140 1.00 0.00 C ATOM 405 C LYS A 29 -7.931 -7.514 -1.200 1.00 0.00 C ATOM 406 O LYS A 29 -7.694 -6.307 -1.255 1.00 0.00 O ATOM 407 CB LYS A 29 -9.447 -8.503 0.526 1.00 0.00 C ATOM 408 CG LYS A 29 -9.619 -8.989 1.955 1.00 0.00 C ATOM 409 CD LYS A 29 -9.355 -10.480 2.073 1.00 0.00 C ATOM 410 CE LYS A 29 -7.889 -10.766 2.360 1.00 0.00 C ATOM 411 NZ LYS A 29 -7.591 -10.723 3.819 1.00 0.00 N ATOM 0 H LYS A 29 -7.862 -6.669 1.524 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.469 -9.191 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.022 -7.587 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.866 -9.245 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.938 -8.445 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.631 -8.770 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.971 -10.898 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.649 -10.977 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.626 -11.747 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.268 -10.036 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.582 -10.923 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.818 -9.779 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.165 -11.437 4.312 1.00 0.00 H new ATOM 425 N LYS A 30 -8.151 -8.256 -2.280 1.00 0.00 N ATOM 426 CA LYS A 30 -8.126 -7.684 -3.621 1.00 0.00 C ATOM 427 C LYS A 30 -9.178 -6.589 -3.764 1.00 0.00 C ATOM 428 O LYS A 30 -10.356 -6.806 -3.482 1.00 0.00 O ATOM 429 CB LYS A 30 -8.364 -8.775 -4.667 1.00 0.00 C ATOM 430 CG LYS A 30 -8.463 -8.244 -6.087 1.00 0.00 C ATOM 431 CD LYS A 30 -8.433 -9.370 -7.107 1.00 0.00 C ATOM 432 CE LYS A 30 -8.847 -8.884 -8.487 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.732 -9.958 -9.512 1.00 0.00 N ATOM 0 H LYS A 30 -8.349 -9.256 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.143 -7.242 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.552 -9.500 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.283 -9.307 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.385 -7.674 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.639 -7.557 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.429 -9.792 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.100 -10.170 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.875 -8.525 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.223 -8.038 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.023 -9.586 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.746 -10.284 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.347 -10.755 -9.250 1.00 0.00 H new ATOM 447 N GLY A 31 -8.745 -5.412 -4.206 1.00 0.00 N ATOM 448 CA GLY A 31 -9.663 -4.302 -4.381 1.00 0.00 C ATOM 449 C GLY A 31 -9.709 -3.392 -3.170 1.00 0.00 C ATOM 450 O GLY A 31 -10.011 -2.205 -3.288 1.00 0.00 O ATOM 0 H GLY A 31 -7.775 -5.208 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.366 -3.723 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.663 -4.689 -4.579 1.00 0.00 H new ATOM 454 N ALA A 32 -9.411 -3.950 -2.001 1.00 0.00 N ATOM 455 CA ALA A 32 -9.420 -3.180 -0.763 1.00 0.00 C ATOM 456 C ALA A 32 -8.567 -1.923 -0.892 1.00 0.00 C ATOM 457 O ALA A 32 -7.409 -1.987 -1.307 1.00 0.00 O ATOM 458 CB ALA A 32 -8.929 -4.037 0.395 1.00 0.00 C ATOM 0 H ALA A 32 -9.160 -4.932 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.446 -2.872 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.941 -3.449 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.582 -4.902 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.912 -4.374 0.193 1.00 0.00 H new ATOM 464 N SER A 33 -9.146 -0.781 -0.534 1.00 0.00 N ATOM 465 CA SER A 33 -8.439 0.492 -0.615 1.00 0.00 C ATOM 466 C SER A 33 -7.329 0.564 0.429 1.00 0.00 C ATOM 467 O SER A 33 -7.543 0.259 1.603 1.00 0.00 O ATOM 468 CB SER A 33 -9.415 1.654 -0.419 1.00 0.00 C ATOM 469 OG SER A 33 -8.780 2.898 -0.658 1.00 0.00 O ATOM 0 H SER A 33 -10.102 -0.711 -0.185 1.00 0.00 H new ATOM 0 HA SER A 33 -7.989 0.568 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.263 1.539 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.811 1.633 0.596 1.00 0.00 H new ATOM 0 HG SER A 33 -9.425 3.625 -0.528 1.00 0.00 H new ATOM 475 N LEU A 34 -6.141 0.969 -0.007 1.00 0.00 N ATOM 476 CA LEU A 34 -4.995 1.082 0.888 1.00 0.00 C ATOM 477 C LEU A 34 -4.371 2.471 0.803 1.00 0.00 C ATOM 478 O LEU A 34 -4.287 3.060 -0.276 1.00 0.00 O ATOM 479 CB LEU A 34 -3.949 0.019 0.547 1.00 0.00 C ATOM 480 CG LEU A 34 -4.460 -1.419 0.450 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.540 -2.255 -0.425 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.586 -2.034 1.836 1.00 0.00 C ATOM 0 H LEU A 34 -5.946 1.225 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.346 0.924 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.487 0.284 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.164 0.054 1.303 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.448 -1.403 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.920 -3.275 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.501 -1.826 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.538 -2.264 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.951 -3.057 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.611 -2.037 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.287 -1.449 2.431 1.00 0.00 H new ATOM 494 N LEU A 35 -3.934 2.989 1.945 1.00 0.00 N ATOM 495 CA LEU A 35 -3.315 4.309 1.999 1.00 0.00 C ATOM 496 C LEU A 35 -1.801 4.195 2.150 1.00 0.00 C ATOM 497 O LEU A 35 -1.306 3.535 3.064 1.00 0.00 O ATOM 498 CB LEU A 35 -3.895 5.119 3.160 1.00 0.00 C ATOM 499 CG LEU A 35 -3.946 6.634 2.962 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.898 6.993 1.833 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.360 7.327 4.252 1.00 0.00 C ATOM 0 H LEU A 35 -3.997 2.515 2.846 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.531 4.823 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.907 4.764 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.306 4.909 4.053 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.948 6.979 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.921 8.075 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.558 6.527 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.899 6.634 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.391 8.405 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.347 6.976 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.639 7.097 5.036 1.00 0.00 H new ATOM 513 N LEU A 36 -1.072 4.845 1.249 1.00 0.00 N ATOM 514 CA LEU A 36 0.386 4.819 1.283 1.00 0.00 C ATOM 515 C LEU A 36 0.942 6.134 1.819 1.00 0.00 C ATOM 516 O LEU A 36 0.448 7.211 1.484 1.00 0.00 O ATOM 517 CB LEU A 36 0.944 4.549 -0.115 1.00 0.00 C ATOM 518 CG LEU A 36 0.364 3.337 -0.847 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.062 3.136 -2.183 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.483 2.088 0.013 1.00 0.00 C ATOM 0 H LEU A 36 -1.467 5.396 0.487 1.00 0.00 H new ATOM 0 HA LEU A 36 0.694 4.016 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.775 5.434 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.023 4.418 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.693 3.523 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.636 2.270 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.924 4.022 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.127 2.972 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.066 1.236 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.533 1.898 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.064 2.234 0.944 1.00 0.00 H new ATOM 532 N TYR A 37 1.973 6.039 2.651 1.00 0.00 N ATOM 533 CA TYR A 37 2.597 7.221 3.234 1.00 0.00 C ATOM 534 C TYR A 37 3.968 7.475 2.615 1.00 0.00 C ATOM 535 O TYR A 37 4.287 8.599 2.227 1.00 0.00 O ATOM 536 CB TYR A 37 2.731 7.059 4.749 1.00 0.00 C ATOM 537 CG TYR A 37 1.409 6.868 5.457 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.330 7.702 5.191 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.239 5.855 6.393 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.880 7.532 5.836 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.032 5.677 7.041 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.024 6.519 6.760 1.00 0.00 C ATOM 543 OH TYR A 37 -2.227 6.345 7.405 1.00 0.00 O ATOM 0 H TYR A 37 2.395 5.155 2.937 1.00 0.00 H new ATOM 0 HA TYR A 37 1.958 8.079 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.373 6.203 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.228 7.939 5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.439 8.497 4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.064 5.196 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.709 8.189 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.084 4.883 7.764 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.866 7.020 7.094 1.00 0.00 H new ATOM 553 N GLN A 38 4.774 6.422 2.526 1.00 0.00 N ATOM 554 CA GLN A 38 6.111 6.530 1.954 1.00 0.00 C ATOM 555 C GLN A 38 6.630 5.163 1.522 1.00 0.00 C ATOM 556 O GLN A 38 6.074 4.130 1.896 1.00 0.00 O ATOM 557 CB GLN A 38 7.071 7.158 2.965 1.00 0.00 C ATOM 558 CG GLN A 38 7.120 8.676 2.897 1.00 0.00 C ATOM 559 CD GLN A 38 8.280 9.259 3.680 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.443 8.986 3.384 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.968 10.067 4.687 1.00 0.00 N ATOM 0 H GLN A 38 4.525 5.485 2.842 1.00 0.00 H new ATOM 0 HA GLN A 38 6.052 7.170 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.775 6.857 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.073 6.763 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.197 8.987 1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.185 9.083 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.990 10.266 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.707 10.489 5.250 1.00 0.00 H new ATOM 570 N ARG A 39 7.699 5.164 0.732 1.00 0.00 N ATOM 571 CA ARG A 39 8.292 3.924 0.248 1.00 0.00 C ATOM 572 C ARG A 39 9.384 3.437 1.197 1.00 0.00 C ATOM 573 O ARG A 39 10.246 4.209 1.616 1.00 0.00 O ATOM 574 CB ARG A 39 8.872 4.124 -1.154 1.00 0.00 C ATOM 575 CG ARG A 39 9.241 2.824 -1.851 1.00 0.00 C ATOM 576 CD ARG A 39 8.070 2.267 -2.645 1.00 0.00 C ATOM 577 NE ARG A 39 8.511 1.420 -3.750 1.00 0.00 N ATOM 578 CZ ARG A 39 9.220 1.867 -4.781 1.00 0.00 C ATOM 579 NH1 ARG A 39 9.566 3.145 -4.847 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.585 1.034 -5.747 1.00 0.00 N ATOM 0 H ARG A 39 8.172 6.010 0.414 1.00 0.00 H new ATOM 0 HA ARG A 39 7.508 3.168 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.146 4.661 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.759 4.754 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.086 2.994 -2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.562 2.091 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.424 1.691 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.473 3.091 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 39 8.261 0.431 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.288 3.788 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.110 3.486 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.321 0.050 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.129 1.378 -6.538 1.00 0.00 H new ATOM 594 N ALA A 40 9.340 2.151 1.531 1.00 0.00 N ATOM 595 CA ALA A 40 10.325 1.561 2.429 1.00 0.00 C ATOM 596 C ALA A 40 11.345 0.731 1.655 1.00 0.00 C ATOM 597 O ALA A 40 12.524 0.697 2.005 1.00 0.00 O ATOM 598 CB ALA A 40 9.635 0.706 3.481 1.00 0.00 C ATOM 0 H ALA A 40 8.633 1.498 1.193 1.00 0.00 H new ATOM 0 HA ALA A 40 10.857 2.371 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.383 0.272 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.951 1.325 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.077 -0.092 2.992 1.00 0.00 H new ATOM 604 N SER A 41 10.882 0.064 0.604 1.00 0.00 N ATOM 605 CA SER A 41 11.753 -0.770 -0.216 1.00 0.00 C ATOM 606 C SER A 41 11.235 -0.851 -1.649 1.00 0.00 C ATOM 607 O SER A 41 10.075 -0.541 -1.921 1.00 0.00 O ATOM 608 CB SER A 41 11.859 -2.175 0.380 1.00 0.00 C ATOM 609 OG SER A 41 13.103 -2.772 0.060 1.00 0.00 O ATOM 0 H SER A 41 9.909 0.084 0.300 1.00 0.00 H new ATOM 0 HA SER A 41 12.743 -0.314 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.745 -2.124 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.046 -2.796 0.003 1.00 0.00 H new ATOM 0 HG SER A 41 13.147 -3.668 0.454 1.00 0.00 H new ATOM 615 N ASP A 42 12.104 -1.270 -2.563 1.00 0.00 N ATOM 616 CA ASP A 42 11.737 -1.394 -3.968 1.00 0.00 C ATOM 617 C ASP A 42 10.599 -2.395 -4.146 1.00 0.00 C ATOM 618 O ASP A 42 9.929 -2.410 -5.179 1.00 0.00 O ATOM 619 CB ASP A 42 12.947 -1.826 -4.798 1.00 0.00 C ATOM 620 CG ASP A 42 12.608 -2.009 -6.264 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.195 -3.125 -6.642 1.00 0.00 O ATOM 622 OD2 ASP A 42 12.757 -1.037 -7.034 1.00 0.00 O ATOM 0 H ASP A 42 13.068 -1.530 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 42 11.397 -0.419 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.736 -1.080 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.342 -2.761 -4.400 1.00 0.00 H new ATOM 627 N ASP A 43 10.388 -3.228 -3.134 1.00 0.00 N ATOM 628 CA ASP A 43 9.331 -4.233 -3.178 1.00 0.00 C ATOM 629 C ASP A 43 8.440 -4.138 -1.944 1.00 0.00 C ATOM 630 O ASP A 43 7.758 -5.098 -1.584 1.00 0.00 O ATOM 631 CB ASP A 43 9.934 -5.634 -3.282 1.00 0.00 C ATOM 632 CG ASP A 43 10.364 -5.977 -4.695 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.520 -5.881 -5.610 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.543 -6.342 -4.884 1.00 0.00 O ATOM 0 H ASP A 43 10.934 -3.228 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 43 8.720 -4.044 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.794 -5.706 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.203 -6.367 -2.940 1.00 0.00 H new ATOM 639 N TRP A 44 8.451 -2.977 -1.300 1.00 0.00 N ATOM 640 CA TRP A 44 7.644 -2.758 -0.105 1.00 0.00 C ATOM 641 C TRP A 44 7.202 -1.303 -0.005 1.00 0.00 C ATOM 642 O TRP A 44 7.754 -0.430 -0.675 1.00 0.00 O ATOM 643 CB TRP A 44 8.431 -3.152 1.146 1.00 0.00 C ATOM 644 CG TRP A 44 8.638 -4.630 1.277 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.802 -5.316 1.079 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.652 -5.605 1.634 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.599 -6.658 1.291 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.288 -6.861 1.634 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.294 -5.538 1.956 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.612 -8.039 1.941 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.623 -6.708 2.261 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.282 -7.944 2.253 1.00 0.00 C ATOM 0 H TRP A 44 9.010 -2.173 -1.585 1.00 0.00 H new ATOM 0 HA TRP A 44 6.754 -3.384 -0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.402 -2.657 1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 44 7.904 -2.787 2.028 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.744 -4.869 0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.309 -7.385 1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.778 -4.589 1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.118 -8.993 1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.573 -6.668 2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.730 -8.840 2.498 1.00 0.00 H new ATOM 663 N TRP A 45 6.205 -1.048 0.834 1.00 0.00 N ATOM 664 CA TRP A 45 5.689 0.304 1.020 1.00 0.00 C ATOM 665 C TRP A 45 5.331 0.553 2.481 1.00 0.00 C ATOM 666 O TRP A 45 5.208 -0.385 3.267 1.00 0.00 O ATOM 667 CB TRP A 45 4.462 0.530 0.135 1.00 0.00 C ATOM 668 CG TRP A 45 4.807 0.873 -1.282 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.129 0.000 -2.282 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.866 2.183 -1.857 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.385 0.689 -3.443 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.229 2.029 -3.209 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.645 3.471 -1.362 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.377 3.115 -4.068 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.792 4.548 -2.216 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.154 4.364 -3.557 1.00 0.00 C ATOM 0 H TRP A 45 5.737 -1.759 1.396 1.00 0.00 H new ATOM 0 HA TRP A 45 6.470 1.008 0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.846 -0.369 0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.860 1.333 0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.176 -1.074 -2.176 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.649 0.270 -4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.364 3.622 -0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.658 2.976 -5.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.625 5.548 -1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.259 5.225 -4.200 1.00 0.00 H new ATOM 687 N GLU A 46 5.165 1.823 2.837 1.00 0.00 N ATOM 688 CA GLU A 46 4.822 2.194 4.205 1.00 0.00 C ATOM 689 C GLU A 46 3.492 2.941 4.248 1.00 0.00 C ATOM 690 O GLU A 46 3.431 4.140 3.979 1.00 0.00 O ATOM 691 CB GLU A 46 5.926 3.061 4.814 1.00 0.00 C ATOM 692 CG GLU A 46 7.302 2.419 4.761 1.00 0.00 C ATOM 693 CD GLU A 46 8.229 2.935 5.845 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.168 4.145 6.150 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.014 2.131 6.388 1.00 0.00 O ATOM 0 H GLU A 46 5.262 2.612 2.198 1.00 0.00 H new ATOM 0 HA GLU A 46 4.725 1.279 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.959 4.015 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.675 3.278 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.199 1.338 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.750 2.608 3.785 1.00 0.00 H new ATOM 702 N GLY A 47 2.427 2.221 4.588 1.00 0.00 N ATOM 703 CA GLY A 47 1.112 2.831 4.660 1.00 0.00 C ATOM 704 C GLY A 47 0.291 2.304 5.821 1.00 0.00 C ATOM 705 O GLY A 47 0.838 1.757 6.778 1.00 0.00 O ATOM 0 H GLY A 47 2.451 1.227 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.221 3.911 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.578 2.647 3.728 1.00 0.00 H new ATOM 709 N ARG A 48 -1.025 2.471 5.737 1.00 0.00 N ATOM 710 CA ARG A 48 -1.922 2.011 6.790 1.00 0.00 C ATOM 711 C ARG A 48 -3.070 1.192 6.206 1.00 0.00 C ATOM 712 O ARG A 48 -3.479 1.403 5.063 1.00 0.00 O ATOM 713 CB ARG A 48 -2.477 3.202 7.573 1.00 0.00 C ATOM 714 CG ARG A 48 -3.528 2.817 8.602 1.00 0.00 C ATOM 715 CD ARG A 48 -4.323 4.028 9.065 1.00 0.00 C ATOM 716 NE ARG A 48 -5.477 4.285 8.207 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.139 5.436 8.193 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.764 6.431 8.985 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.180 5.595 7.384 1.00 0.00 N ATOM 0 H ARG A 48 -1.493 2.921 4.951 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.352 1.375 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.655 3.709 8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.910 3.916 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.205 2.078 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.045 2.348 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.661 3.870 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.676 4.905 9.074 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.791 3.540 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.965 6.314 9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.275 7.314 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.472 4.833 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.688 6.480 7.374 1.00 0.00 H new ATOM 733 N HIS A 49 -3.587 0.258 6.998 1.00 0.00 N ATOM 734 CA HIS A 49 -4.688 -0.592 6.560 1.00 0.00 C ATOM 735 C HIS A 49 -5.616 -0.923 7.725 1.00 0.00 C ATOM 736 O HIS A 49 -5.207 -1.559 8.695 1.00 0.00 O ATOM 737 CB HIS A 49 -4.149 -1.882 5.940 1.00 0.00 C ATOM 738 CG HIS A 49 -5.222 -2.805 5.450 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.511 -4.011 6.052 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.079 -2.691 4.408 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.499 -4.600 5.401 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.861 -3.819 4.399 1.00 0.00 N ATOM 0 H HIS A 49 -3.261 0.071 7.946 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.258 -0.047 5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.492 -1.629 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.541 -2.404 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.137 -1.866 3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.936 -5.557 5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.602 -4.021 3.727 1.00 0.00 H new ATOM 751 N ASN A 50 -6.866 -0.484 7.622 1.00 0.00 N ATOM 752 CA ASN A 50 -7.852 -0.732 8.668 1.00 0.00 C ATOM 753 C ASN A 50 -7.289 -0.375 10.041 1.00 0.00 C ATOM 754 O ASN A 50 -7.425 -1.138 10.996 1.00 0.00 O ATOM 755 CB ASN A 50 -8.289 -2.198 8.649 1.00 0.00 C ATOM 756 CG ASN A 50 -9.372 -2.492 9.668 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.126 -1.602 10.064 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.455 -3.745 10.099 1.00 0.00 N ATOM 0 H ASN A 50 -7.220 0.045 6.825 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.718 -0.099 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.652 -2.453 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.426 -2.834 8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.164 -4.002 10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.809 -4.450 9.744 1.00 0.00 H new ATOM 765 N GLY A 51 -6.658 0.792 10.131 1.00 0.00 N ATOM 766 CA GLY A 51 -6.085 1.230 11.390 1.00 0.00 C ATOM 767 C GLY A 51 -4.887 0.398 11.803 1.00 0.00 C ATOM 768 O GLY A 51 -4.671 0.155 12.990 1.00 0.00 O ATOM 0 H GLY A 51 -6.534 1.442 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.786 2.275 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.845 1.178 12.169 1.00 0.00 H new ATOM 772 N ILE A 52 -4.107 -0.040 10.820 1.00 0.00 N ATOM 773 CA ILE A 52 -2.924 -0.850 11.088 1.00 0.00 C ATOM 774 C ILE A 52 -1.753 -0.418 10.212 1.00 0.00 C ATOM 775 O ILE A 52 -1.801 -0.543 8.988 1.00 0.00 O ATOM 776 CB ILE A 52 -3.202 -2.346 10.854 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.348 -2.821 11.750 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.946 -3.165 11.112 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.795 -4.237 11.460 1.00 0.00 C ATOM 0 H ILE A 52 -4.272 0.152 9.832 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.666 -0.697 12.136 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.497 -2.487 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.036 -2.754 12.792 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.197 -2.148 11.628 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.159 -4.221 10.942 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.155 -2.841 10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.623 -3.021 12.143 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.610 -4.506 12.132 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.139 -4.306 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.959 -4.920 11.611 1.00 0.00 H new ATOM 791 N ASP A 53 -0.702 0.088 10.847 1.00 0.00 N ATOM 792 CA ASP A 53 0.484 0.536 10.127 1.00 0.00 C ATOM 793 C ASP A 53 1.482 -0.606 9.960 1.00 0.00 C ATOM 794 O ASP A 53 1.758 -1.345 10.904 1.00 0.00 O ATOM 795 CB ASP A 53 1.144 1.704 10.862 1.00 0.00 C ATOM 796 CG ASP A 53 2.076 1.241 11.964 1.00 0.00 C ATOM 797 OD1 ASP A 53 3.261 0.979 11.668 1.00 0.00 O ATOM 798 OD2 ASP A 53 1.622 1.142 13.123 1.00 0.00 O ATOM 0 H ASP A 53 -0.647 0.198 11.860 1.00 0.00 H new ATOM 0 HA ASP A 53 0.173 0.870 9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.702 2.310 10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.372 2.344 11.288 1.00 0.00 H new ATOM 803 N GLY A 54 2.020 -0.744 8.752 1.00 0.00 N ATOM 804 CA GLY A 54 2.980 -1.799 8.484 1.00 0.00 C ATOM 805 C GLY A 54 3.624 -1.664 7.118 1.00 0.00 C ATOM 806 O GLY A 54 3.881 -0.553 6.652 1.00 0.00 O ATOM 0 H GLY A 54 1.808 -0.144 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.755 -1.784 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.481 -2.766 8.553 1.00 0.00 H new ATOM 810 N LEU A 55 3.886 -2.796 6.475 1.00 0.00 N ATOM 811 CA LEU A 55 4.505 -2.800 5.154 1.00 0.00 C ATOM 812 C LEU A 55 3.529 -3.307 4.097 1.00 0.00 C ATOM 813 O LEU A 55 2.659 -4.130 4.385 1.00 0.00 O ATOM 814 CB LEU A 55 5.763 -3.670 5.162 1.00 0.00 C ATOM 815 CG LEU A 55 7.005 -3.049 5.803 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.048 -4.117 6.091 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.582 -1.965 4.905 1.00 0.00 C ATOM 0 H LEU A 55 3.680 -3.723 6.847 1.00 0.00 H new ATOM 0 HA LEU A 55 4.781 -1.775 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.535 -4.599 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.004 -3.935 4.132 1.00 0.00 H new ATOM 0 HG LEU A 55 6.713 -2.592 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.924 -3.656 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.631 -4.858 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.337 -4.604 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.465 -1.534 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.859 -2.398 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.836 -1.185 4.750 1.00 0.00 H new ATOM 829 N ILE A 56 3.680 -2.812 2.874 1.00 0.00 N ATOM 830 CA ILE A 56 2.814 -3.217 1.774 1.00 0.00 C ATOM 831 C ILE A 56 3.629 -3.567 0.533 1.00 0.00 C ATOM 832 O ILE A 56 4.492 -2.808 0.092 1.00 0.00 O ATOM 833 CB ILE A 56 1.805 -2.111 1.415 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.778 -1.943 2.537 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.111 -2.433 0.099 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.155 -0.566 2.585 1.00 0.00 C ATOM 0 H ILE A 56 4.394 -2.130 2.619 1.00 0.00 H new ATOM 0 HA ILE A 56 2.270 -4.099 2.110 1.00 0.00 H new ATOM 0 HB ILE A 56 2.345 -1.172 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.010 -2.685 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.260 -2.148 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.401 -1.642 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.854 -2.507 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.581 -3.381 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.563 -0.520 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.934 0.180 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.356 -0.365 1.643 1.00 0.00 H new ATOM 848 N PRO A 57 3.350 -4.745 -0.045 1.00 0.00 N ATOM 849 CA PRO A 57 4.044 -5.223 -1.244 1.00 0.00 C ATOM 850 C PRO A 57 3.679 -4.415 -2.486 1.00 0.00 C ATOM 851 O PRO A 57 2.539 -3.976 -2.639 1.00 0.00 O ATOM 852 CB PRO A 57 3.558 -6.667 -1.384 1.00 0.00 C ATOM 853 CG PRO A 57 2.234 -6.689 -0.701 1.00 0.00 C ATOM 854 CD PRO A 57 2.334 -5.701 0.427 1.00 0.00 C ATOM 0 HA PRO A 57 5.126 -5.130 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.468 -6.955 -2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.254 -7.366 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.435 -6.415 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.004 -7.687 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.379 -5.211 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.637 -6.182 1.357 1.00 0.00 H new ATOM 862 N HIS A 58 4.654 -4.224 -3.369 1.00 0.00 N ATOM 863 CA HIS A 58 4.434 -3.470 -4.598 1.00 0.00 C ATOM 864 C HIS A 58 3.969 -4.389 -5.724 1.00 0.00 C ATOM 865 O HIS A 58 3.710 -3.937 -6.839 1.00 0.00 O ATOM 866 CB HIS A 58 5.715 -2.745 -5.013 1.00 0.00 C ATOM 867 CG HIS A 58 5.552 -1.893 -6.234 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.434 -0.520 -6.183 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.490 -2.226 -7.544 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.305 -0.045 -7.409 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.336 -1.060 -8.254 1.00 0.00 N ATOM 0 H HIS A 58 5.603 -4.580 -3.257 1.00 0.00 H new ATOM 0 HA HIS A 58 3.653 -2.733 -4.408 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.053 -2.120 -4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.497 -3.482 -5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.550 -3.223 -7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.193 0.996 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.258 -0.989 -9.269 1.00 0.00 H new ATOM 879 N GLN A 59 3.866 -5.680 -5.423 1.00 0.00 N ATOM 880 CA GLN A 59 3.433 -6.662 -6.410 1.00 0.00 C ATOM 881 C GLN A 59 1.946 -6.964 -6.261 1.00 0.00 C ATOM 882 O GLN A 59 1.336 -7.579 -7.137 1.00 0.00 O ATOM 883 CB GLN A 59 4.245 -7.950 -6.268 1.00 0.00 C ATOM 884 CG GLN A 59 5.700 -7.801 -6.681 1.00 0.00 C ATOM 885 CD GLN A 59 5.908 -8.000 -8.170 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.961 -8.268 -8.910 1.00 0.00 O ATOM 887 NE2 GLN A 59 7.152 -7.870 -8.617 1.00 0.00 N ATOM 0 H GLN A 59 4.076 -6.070 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 59 3.601 -6.243 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.203 -8.284 -5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.782 -8.730 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.054 -6.810 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.305 -8.524 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.907 -7.647 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.353 -7.993 -9.609 1.00 0.00 H new ATOM 896 N TYR A 60 1.368 -6.530 -5.147 1.00 0.00 N ATOM 897 CA TYR A 60 -0.048 -6.757 -4.882 1.00 0.00 C ATOM 898 C TYR A 60 -0.786 -5.435 -4.696 1.00 0.00 C ATOM 899 O TYR A 60 -1.816 -5.376 -4.023 1.00 0.00 O ATOM 900 CB TYR A 60 -0.222 -7.631 -3.638 1.00 0.00 C ATOM 901 CG TYR A 60 0.437 -8.987 -3.754 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.808 -9.102 -3.944 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.313 -10.154 -3.673 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.413 -10.339 -4.051 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.284 -11.396 -3.778 1.00 0.00 C ATOM 906 CZ TYR A 60 1.647 -11.483 -3.967 1.00 0.00 C ATOM 907 OH TYR A 60 2.246 -12.717 -4.072 1.00 0.00 O ATOM 0 H TYR A 60 1.858 -6.019 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.475 -7.272 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.192 -7.108 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.286 -7.769 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.411 -8.209 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.381 -10.089 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.480 -10.410 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.314 -12.293 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 60 1.567 -13.418 -3.990 1.00 0.00 H new ATOM 917 N ILE A 61 -0.253 -4.377 -5.297 1.00 0.00 N ATOM 918 CA ILE A 61 -0.861 -3.056 -5.200 1.00 0.00 C ATOM 919 C ILE A 61 -0.478 -2.186 -6.392 1.00 0.00 C ATOM 920 O ILE A 61 0.568 -2.385 -7.010 1.00 0.00 O ATOM 921 CB ILE A 61 -0.446 -2.340 -3.901 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.062 -2.081 -3.895 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.852 -3.164 -2.688 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.450 -0.758 -4.517 1.00 0.00 C ATOM 0 H ILE A 61 0.599 -4.409 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.941 -3.205 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.961 -1.381 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.423 -2.110 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.563 -2.887 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.552 -2.644 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.933 -3.302 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.362 -4.137 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.533 -0.641 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.119 -0.733 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.978 0.055 -3.966 1.00 0.00 H new ATOM 936 N VAL A 62 -1.333 -1.218 -6.709 1.00 0.00 N ATOM 937 CA VAL A 62 -1.084 -0.314 -7.826 1.00 0.00 C ATOM 938 C VAL A 62 -1.030 1.135 -7.358 1.00 0.00 C ATOM 939 O VAL A 62 -2.055 1.730 -7.025 1.00 0.00 O ATOM 940 CB VAL A 62 -2.167 -0.452 -8.912 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.845 0.438 -10.103 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.307 -1.904 -9.343 1.00 0.00 C ATOM 0 H VAL A 62 -2.204 -1.040 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.119 -0.592 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.120 -0.128 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.621 0.327 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.800 1.478 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.883 0.148 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.077 -1.983 -10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.357 -2.258 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.588 -2.513 -8.484 1.00 0.00 H new ATOM 952 N VAL A 63 0.173 1.700 -7.335 1.00 0.00 N ATOM 953 CA VAL A 63 0.361 3.082 -6.909 1.00 0.00 C ATOM 954 C VAL A 63 -0.092 4.057 -7.990 1.00 0.00 C ATOM 955 O VAL A 63 0.589 4.240 -8.999 1.00 0.00 O ATOM 956 CB VAL A 63 1.835 3.367 -6.562 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.011 4.813 -6.126 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.322 2.412 -5.483 1.00 0.00 C ATOM 0 H VAL A 63 1.032 1.222 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.249 3.224 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 63 2.438 3.207 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.058 4.995 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.704 5.477 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.397 5.005 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.365 2.627 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.716 2.538 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.234 1.386 -5.839 1.00 0.00 H new