USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 405 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 23 ASN : amide:sc= -0.404 K(o=-0.37,f=0.72) USER MOD Set 1.2: A 55 TYR OH : rot 32:sc= 0.0372 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 69:sc= 0.974 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.64) USER MOD Single : A 26 GLN : amide:sc= -3.15 K(o=-3.2,f=-3.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -132:sc= -2.45 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.18) USER MOD Single : A 52 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.2) USER MOD Single : A 58 SER OG : rot 52:sc= 0.921 USER MOD Single : A 59 ASN : amide:sc= -3.42! C(o=-3.4!,f=-1.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.457 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.598 7.397 -3.303 1.00 0.00 N ATOM 131 CA LYS A 10 54.634 5.959 -3.727 1.00 0.00 C ATOM 132 C LYS A 10 55.951 5.306 -3.283 1.00 0.00 C ATOM 133 O LYS A 10 56.755 5.923 -2.616 1.00 0.00 O ATOM 134 CB LYS A 10 54.495 5.963 -5.262 1.00 0.00 C ATOM 135 CG LYS A 10 55.402 7.025 -5.896 1.00 0.00 C ATOM 136 CD LYS A 10 54.652 8.356 -5.985 1.00 0.00 C ATOM 137 CE LYS A 10 55.072 9.097 -7.257 1.00 0.00 C ATOM 138 NZ LYS A 10 54.172 8.571 -8.322 1.00 0.00 N ATOM 0 HA LYS A 10 53.832 5.380 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.751 4.979 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.458 6.156 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.308 7.146 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.714 6.705 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.576 8.179 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.868 8.966 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.960 10.175 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.119 8.909 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.398 9.032 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.306 7.544 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.183 8.770 -8.070 1.00 0.00 H new ATOM 152 N VAL A 11 56.168 4.061 -3.648 1.00 0.00 N ATOM 153 CA VAL A 11 57.421 3.335 -3.248 1.00 0.00 C ATOM 154 C VAL A 11 57.535 2.046 -4.062 1.00 0.00 C ATOM 155 O VAL A 11 56.569 1.580 -4.631 1.00 0.00 O ATOM 156 CB VAL A 11 57.304 2.974 -1.748 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.772 4.148 -0.883 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.859 2.599 -1.375 1.00 0.00 C ATOM 0 H VAL A 11 55.522 3.510 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 11 58.298 3.958 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 11 57.942 2.110 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.685 3.881 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.812 4.378 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.153 5.021 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.810 2.351 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.200 3.442 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.543 1.738 -1.964 1.00 0.00 H new ATOM 168 N VAL A 12 58.702 1.461 -4.109 1.00 0.00 N ATOM 169 CA VAL A 12 58.881 0.192 -4.878 1.00 0.00 C ATOM 170 C VAL A 12 58.924 -0.987 -3.878 1.00 0.00 C ATOM 171 O VAL A 12 58.892 -0.784 -2.682 1.00 0.00 O ATOM 172 CB VAL A 12 60.231 0.407 -5.622 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.174 -0.806 -5.548 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.955 0.700 -7.088 1.00 0.00 C ATOM 0 H VAL A 12 59.543 1.807 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 12 58.082 -0.040 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 12 60.726 1.241 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.095 -0.585 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.408 -1.022 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.689 -1.672 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.898 0.851 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.423 -0.141 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.346 1.600 -7.171 1.00 0.00 H new ATOM 184 N ALA A 13 59.033 -2.203 -4.358 1.00 0.00 N ATOM 185 CA ALA A 13 59.122 -3.376 -3.433 1.00 0.00 C ATOM 186 C ALA A 13 60.467 -4.083 -3.638 1.00 0.00 C ATOM 187 O ALA A 13 61.025 -4.062 -4.720 1.00 0.00 O ATOM 188 CB ALA A 13 57.967 -4.300 -3.816 1.00 0.00 C ATOM 0 H ALA A 13 59.064 -2.433 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 13 59.057 -3.081 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.977 -5.180 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 13 57.022 -3.771 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.077 -4.608 -4.856 1.00 0.00 H new ATOM 194 N LEU A 14 60.993 -4.701 -2.610 1.00 0.00 N ATOM 195 CA LEU A 14 62.309 -5.400 -2.745 1.00 0.00 C ATOM 196 C LEU A 14 62.122 -6.921 -2.725 1.00 0.00 C ATOM 197 O LEU A 14 62.936 -7.656 -3.252 1.00 0.00 O ATOM 198 CB LEU A 14 63.126 -4.947 -1.535 1.00 0.00 C ATOM 199 CG LEU A 14 63.357 -3.437 -1.610 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.845 -2.925 -0.253 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.412 -3.135 -2.677 1.00 0.00 C ATOM 0 H LEU A 14 60.569 -4.752 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 14 62.801 -5.159 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.601 -5.200 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 14 64.082 -5.471 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 14 62.422 -2.940 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.009 -1.849 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.095 -3.139 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.779 -3.422 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.577 -2.059 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.346 -3.633 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.065 -3.498 -3.645 1.00 0.00 H new ATOM 213 N TYR A 15 61.063 -7.397 -2.121 1.00 0.00 N ATOM 214 CA TYR A 15 60.828 -8.872 -2.066 1.00 0.00 C ATOM 215 C TYR A 15 59.327 -9.173 -2.049 1.00 0.00 C ATOM 216 O TYR A 15 58.505 -8.283 -2.163 1.00 0.00 O ATOM 217 CB TYR A 15 61.481 -9.328 -0.762 1.00 0.00 C ATOM 218 CG TYR A 15 62.973 -9.446 -0.959 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.488 -10.391 -1.854 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.841 -8.609 -0.248 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.872 -10.499 -2.037 1.00 0.00 C ATOM 222 CE2 TYR A 15 65.225 -8.718 -0.431 1.00 0.00 C ATOM 223 CZ TYR A 15 65.740 -9.663 -1.326 1.00 0.00 C ATOM 224 OH TYR A 15 67.104 -9.770 -1.507 1.00 0.00 O ATOM 0 H TYR A 15 60.351 -6.828 -1.663 1.00 0.00 H new ATOM 0 HA TYR A 15 61.242 -9.387 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 15 61.264 -8.616 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.068 -10.288 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.818 -11.036 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.443 -7.879 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.270 -11.228 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.895 -8.073 0.118 1.00 0.00 H new ATOM 0 HH TYR A 15 67.562 -9.116 -0.939 1.00 0.00 H new ATOM 234 N ASP A 16 58.968 -10.424 -1.909 1.00 0.00 N ATOM 235 CA ASP A 16 57.522 -10.798 -1.884 1.00 0.00 C ATOM 236 C ASP A 16 56.988 -10.733 -0.451 1.00 0.00 C ATOM 237 O ASP A 16 57.693 -11.026 0.496 1.00 0.00 O ATOM 238 CB ASP A 16 57.474 -12.233 -2.410 1.00 0.00 C ATOM 239 CG ASP A 16 57.532 -12.218 -3.938 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.416 -11.568 -4.472 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.693 -12.859 -4.550 1.00 0.00 O ATOM 0 H ASP A 16 59.617 -11.205 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 16 56.909 -10.125 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.310 -12.807 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.560 -12.724 -2.075 1.00 0.00 H new ATOM 246 N TYR A 17 55.748 -10.345 -0.287 1.00 0.00 N ATOM 247 CA TYR A 17 55.161 -10.251 1.080 1.00 0.00 C ATOM 248 C TYR A 17 53.632 -10.225 0.978 1.00 0.00 C ATOM 249 O TYR A 17 53.008 -9.187 1.090 1.00 0.00 O ATOM 250 CB TYR A 17 55.715 -8.935 1.638 1.00 0.00 C ATOM 251 CG TYR A 17 55.123 -8.642 2.995 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.604 -9.304 4.131 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.097 -7.699 3.118 1.00 0.00 C ATOM 254 CE1 TYR A 17 55.059 -9.021 5.388 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.551 -7.416 4.373 1.00 0.00 C ATOM 256 CZ TYR A 17 54.032 -8.078 5.509 1.00 0.00 C ATOM 257 OH TYR A 17 53.495 -7.799 6.749 1.00 0.00 O ATOM 0 H TYR A 17 55.116 -10.089 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 17 55.413 -11.094 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.801 -8.995 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.488 -8.119 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 17 56.395 -10.033 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.726 -7.189 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 17 55.431 -9.530 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.759 -6.688 4.466 1.00 0.00 H new ATOM 0 HH TYR A 17 54.158 -7.325 7.293 1.00 0.00 H new ATOM 267 N MET A 18 53.032 -11.367 0.753 1.00 0.00 N ATOM 268 CA MET A 18 51.543 -11.430 0.628 1.00 0.00 C ATOM 269 C MET A 18 50.869 -11.048 1.956 1.00 0.00 C ATOM 270 O MET A 18 51.516 -11.025 2.984 1.00 0.00 O ATOM 271 CB MET A 18 51.229 -12.884 0.267 1.00 0.00 C ATOM 272 CG MET A 18 51.397 -13.084 -1.240 1.00 0.00 C ATOM 273 SD MET A 18 51.382 -14.854 -1.620 1.00 0.00 S ATOM 274 CE MET A 18 53.175 -15.098 -1.640 1.00 0.00 C ATOM 0 H MET A 18 53.511 -12.262 0.650 1.00 0.00 H new ATOM 0 HA MET A 18 51.171 -10.734 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.893 -13.556 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.211 -13.132 0.566 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.593 -12.579 -1.776 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.333 -12.637 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.398 -16.142 -1.860 1.00 0.00 H new ATOM 0 HE2 MET A 18 53.620 -14.463 -2.406 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.589 -14.836 -0.666 1.00 0.00 H new ATOM 284 N PRO A 19 49.580 -10.747 1.903 1.00 0.00 N ATOM 285 CA PRO A 19 48.843 -10.356 3.127 1.00 0.00 C ATOM 286 C PRO A 19 48.686 -11.551 4.072 1.00 0.00 C ATOM 287 O PRO A 19 49.041 -12.668 3.744 1.00 0.00 O ATOM 288 CB PRO A 19 47.483 -9.909 2.574 1.00 0.00 C ATOM 289 CG PRO A 19 47.499 -10.071 1.041 1.00 0.00 C ATOM 290 CD PRO A 19 48.795 -10.773 0.639 1.00 0.00 C ATOM 0 HA PRO A 19 49.346 -9.585 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.682 -10.507 3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.288 -8.871 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.637 -10.651 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.430 -9.097 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.615 -11.791 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.307 -10.249 -0.168 1.00 0.00 H new ATOM 298 N MET A 20 48.148 -11.319 5.242 1.00 0.00 N ATOM 299 CA MET A 20 47.951 -12.430 6.221 1.00 0.00 C ATOM 300 C MET A 20 46.460 -12.592 6.519 1.00 0.00 C ATOM 301 O MET A 20 45.912 -13.675 6.430 1.00 0.00 O ATOM 302 CB MET A 20 48.702 -11.991 7.480 1.00 0.00 C ATOM 303 CG MET A 20 50.188 -11.819 7.161 1.00 0.00 C ATOM 304 SD MET A 20 51.047 -13.392 7.413 1.00 0.00 S ATOM 305 CE MET A 20 51.973 -13.397 5.859 1.00 0.00 C ATOM 0 H MET A 20 47.835 -10.403 5.563 1.00 0.00 H new ATOM 0 HA MET A 20 48.316 -13.386 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.289 -11.053 7.853 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.573 -12.732 8.269 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.313 -11.485 6.131 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.621 -11.050 7.800 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.584 -14.298 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.277 -13.378 5.021 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.617 -12.519 5.816 1.00 0.00 H new ATOM 315 N ASN A 21 45.803 -11.516 6.867 1.00 0.00 N ATOM 316 CA ASN A 21 44.343 -11.583 7.171 1.00 0.00 C ATOM 317 C ASN A 21 43.568 -10.660 6.230 1.00 0.00 C ATOM 318 O ASN A 21 42.693 -11.090 5.504 1.00 0.00 O ATOM 319 CB ASN A 21 44.216 -11.106 8.617 1.00 0.00 C ATOM 320 CG ASN A 21 44.613 -12.239 9.567 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.228 -13.374 9.371 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.373 -11.977 10.595 1.00 0.00 N ATOM 0 H ASN A 21 46.218 -10.588 6.954 1.00 0.00 H new ATOM 0 HA ASN A 21 43.938 -12.586 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.855 -10.238 8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.192 -10.791 8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.643 -12.725 11.233 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.697 -11.024 10.760 1.00 0.00 H new ATOM 329 N ALA A 22 43.890 -9.394 6.242 1.00 0.00 N ATOM 330 CA ALA A 22 43.185 -8.421 5.351 1.00 0.00 C ATOM 331 C ALA A 22 43.900 -7.068 5.367 1.00 0.00 C ATOM 332 O ALA A 22 44.036 -6.415 4.350 1.00 0.00 O ATOM 333 CB ALA A 22 41.777 -8.289 5.934 1.00 0.00 C ATOM 0 H ALA A 22 44.615 -8.988 6.833 1.00 0.00 H new ATOM 0 HA ALA A 22 43.166 -8.757 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.198 -7.589 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.288 -9.263 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.840 -7.921 6.958 1.00 0.00 H new ATOM 339 N ASN A 23 44.359 -6.648 6.517 1.00 0.00 N ATOM 340 CA ASN A 23 45.072 -5.336 6.616 1.00 0.00 C ATOM 341 C ASN A 23 46.302 -5.313 5.727 1.00 0.00 C ATOM 342 O ASN A 23 46.457 -4.460 4.879 1.00 0.00 O ATOM 343 CB ASN A 23 45.529 -5.221 8.063 1.00 0.00 C ATOM 344 CG ASN A 23 44.473 -4.481 8.885 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.787 -3.556 9.607 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.224 -4.852 8.808 1.00 0.00 N ATOM 0 H ASN A 23 44.271 -7.158 7.396 1.00 0.00 H new ATOM 0 HA ASN A 23 44.416 -4.523 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.697 -6.214 8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.479 -4.689 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.513 -4.365 9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.959 -5.629 8.202 1.00 0.00 H new ATOM 353 N ASP A 24 47.197 -6.229 5.964 1.00 0.00 N ATOM 354 CA ASP A 24 48.478 -6.281 5.196 1.00 0.00 C ATOM 355 C ASP A 24 48.260 -6.078 3.685 1.00 0.00 C ATOM 356 O ASP A 24 47.314 -6.586 3.113 1.00 0.00 O ATOM 357 CB ASP A 24 49.040 -7.675 5.476 1.00 0.00 C ATOM 358 CG ASP A 24 50.471 -7.768 4.950 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.707 -7.311 3.844 1.00 0.00 O ATOM 360 OD2 ASP A 24 51.306 -8.298 5.664 1.00 0.00 O ATOM 0 H ASP A 24 47.096 -6.958 6.670 1.00 0.00 H new ATOM 0 HA ASP A 24 49.154 -5.482 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 24 49.022 -7.877 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 24 48.417 -8.431 4.999 1.00 0.00 H new ATOM 365 N LEU A 25 49.133 -5.336 3.045 1.00 0.00 N ATOM 366 CA LEU A 25 48.984 -5.092 1.579 1.00 0.00 C ATOM 367 C LEU A 25 49.849 -6.080 0.791 1.00 0.00 C ATOM 368 O LEU A 25 51.048 -6.162 0.985 1.00 0.00 O ATOM 369 CB LEU A 25 49.458 -3.650 1.352 1.00 0.00 C ATOM 370 CG LEU A 25 48.924 -3.154 0.000 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.422 -2.874 0.107 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.649 -1.867 -0.408 1.00 0.00 C ATOM 0 H LEU A 25 49.942 -4.890 3.477 1.00 0.00 H new ATOM 0 HA LEU A 25 47.957 -5.230 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.102 -3.006 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.547 -3.605 1.366 1.00 0.00 H new ATOM 0 HG LEU A 25 49.100 -3.923 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.048 -2.522 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.900 -3.789 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.247 -2.111 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.265 -1.522 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.481 -1.100 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.718 -2.063 -0.494 1.00 0.00 H new ATOM 384 N GLN A 26 49.243 -6.834 -0.091 1.00 0.00 N ATOM 385 CA GLN A 26 50.017 -7.831 -0.899 1.00 0.00 C ATOM 386 C GLN A 26 51.124 -7.140 -1.694 1.00 0.00 C ATOM 387 O GLN A 26 50.881 -6.553 -2.733 1.00 0.00 O ATOM 388 CB GLN A 26 48.994 -8.457 -1.850 1.00 0.00 C ATOM 389 CG GLN A 26 49.661 -9.576 -2.653 1.00 0.00 C ATOM 390 CD GLN A 26 50.176 -9.015 -3.980 1.00 0.00 C ATOM 391 OE1 GLN A 26 51.319 -8.615 -4.081 1.00 0.00 O ATOM 392 NE2 GLN A 26 49.376 -8.970 -5.010 1.00 0.00 N ATOM 0 H GLN A 26 48.243 -6.803 -0.288 1.00 0.00 H new ATOM 0 HA GLN A 26 50.501 -8.575 -0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.151 -8.854 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.597 -7.698 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.485 -10.005 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.948 -10.380 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.417 -9.306 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 26 49.710 -8.599 -5.899 1.00 0.00 H new ATOM 401 N LEU A 27 52.338 -7.219 -1.217 1.00 0.00 N ATOM 402 CA LEU A 27 53.472 -6.582 -1.944 1.00 0.00 C ATOM 403 C LEU A 27 54.096 -7.585 -2.921 1.00 0.00 C ATOM 404 O LEU A 27 53.609 -8.686 -3.089 1.00 0.00 O ATOM 405 CB LEU A 27 54.471 -6.176 -0.855 1.00 0.00 C ATOM 406 CG LEU A 27 54.184 -4.742 -0.379 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.989 -4.729 1.140 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.364 -3.836 -0.732 1.00 0.00 C ATOM 0 H LEU A 27 52.592 -7.698 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 27 53.158 -5.722 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.404 -6.866 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.488 -6.242 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 27 53.280 -4.382 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.786 -3.711 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.149 -5.371 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.893 -5.096 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.157 -2.821 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.265 -4.205 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.512 -3.835 -1.812 1.00 0.00 H new ATOM 420 N ARG A 28 55.168 -7.206 -3.566 1.00 0.00 N ATOM 421 CA ARG A 28 55.844 -8.115 -4.551 1.00 0.00 C ATOM 422 C ARG A 28 57.125 -7.456 -5.074 1.00 0.00 C ATOM 423 O ARG A 28 57.124 -6.303 -5.455 1.00 0.00 O ATOM 424 CB ARG A 28 54.844 -8.298 -5.699 1.00 0.00 C ATOM 425 CG ARG A 28 55.300 -9.453 -6.595 1.00 0.00 C ATOM 426 CD ARG A 28 54.668 -10.758 -6.108 1.00 0.00 C ATOM 427 NE ARG A 28 54.911 -11.734 -7.206 1.00 0.00 N ATOM 428 CZ ARG A 28 54.948 -13.013 -6.946 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.948 -13.582 -6.329 1.00 0.00 N ATOM 430 NH2 ARG A 28 55.982 -13.723 -7.305 1.00 0.00 N ATOM 0 H ARG A 28 55.613 -6.295 -3.454 1.00 0.00 H new ATOM 0 HA ARG A 28 56.121 -9.068 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.850 -8.503 -5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.770 -7.379 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.012 -9.261 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 28 56.387 -9.534 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 28 55.121 -11.092 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.602 -10.634 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 28 55.049 -11.403 -8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 28 53.139 -13.027 -6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.976 -14.581 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 28 56.762 -13.279 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 56.010 -14.722 -7.101 1.00 0.00 H new ATOM 444 N LYS A 29 58.215 -8.181 -5.089 1.00 0.00 N ATOM 445 CA LYS A 29 59.511 -7.600 -5.576 1.00 0.00 C ATOM 446 C LYS A 29 59.372 -7.008 -6.983 1.00 0.00 C ATOM 447 O LYS A 29 58.852 -7.636 -7.885 1.00 0.00 O ATOM 448 CB LYS A 29 60.495 -8.770 -5.591 1.00 0.00 C ATOM 449 CG LYS A 29 61.921 -8.237 -5.735 1.00 0.00 C ATOM 450 CD LYS A 29 62.265 -8.092 -7.218 1.00 0.00 C ATOM 451 CE LYS A 29 63.786 -8.078 -7.391 1.00 0.00 C ATOM 452 NZ LYS A 29 64.005 -8.155 -8.863 1.00 0.00 N ATOM 0 H LYS A 29 58.267 -9.153 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 29 59.841 -6.784 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.403 -9.348 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.262 -9.444 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.013 -7.273 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.624 -8.915 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.832 -8.916 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.835 -7.172 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.223 -7.171 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.250 -8.920 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.026 -8.150 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.584 -9.032 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.558 -7.337 -9.324 1.00 0.00 H new ATOM 466 N GLY A 30 59.850 -5.801 -7.167 1.00 0.00 N ATOM 467 CA GLY A 30 59.768 -5.146 -8.507 1.00 0.00 C ATOM 468 C GLY A 30 58.498 -4.299 -8.607 1.00 0.00 C ATOM 469 O GLY A 30 58.432 -3.367 -9.387 1.00 0.00 O ATOM 0 H GLY A 30 60.296 -5.240 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.645 -4.519 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.771 -5.904 -9.291 1.00 0.00 H new ATOM 473 N ASP A 31 57.491 -4.611 -7.830 1.00 0.00 N ATOM 474 CA ASP A 31 56.231 -3.821 -7.887 1.00 0.00 C ATOM 475 C ASP A 31 56.372 -2.547 -7.055 1.00 0.00 C ATOM 476 O ASP A 31 57.279 -2.418 -6.256 1.00 0.00 O ATOM 477 CB ASP A 31 55.158 -4.735 -7.291 1.00 0.00 C ATOM 478 CG ASP A 31 53.774 -4.142 -7.560 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.502 -3.820 -8.705 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.010 -4.020 -6.616 1.00 0.00 O ATOM 0 H ASP A 31 57.491 -5.380 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 31 55.983 -3.513 -8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.230 -5.731 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.315 -4.846 -6.218 1.00 0.00 H new ATOM 485 N GLU A 32 55.485 -1.606 -7.236 1.00 0.00 N ATOM 486 CA GLU A 32 55.564 -0.337 -6.450 1.00 0.00 C ATOM 487 C GLU A 32 54.161 0.003 -5.947 1.00 0.00 C ATOM 488 O GLU A 32 53.199 -0.642 -6.324 1.00 0.00 O ATOM 489 CB GLU A 32 56.092 0.744 -7.409 1.00 0.00 C ATOM 490 CG GLU A 32 57.217 0.194 -8.300 1.00 0.00 C ATOM 491 CD GLU A 32 56.615 -0.368 -9.588 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.646 0.201 -10.065 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.133 -1.358 -10.078 1.00 0.00 O ATOM 0 H GLU A 32 54.708 -1.660 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 32 56.225 -0.417 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.277 1.110 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.461 1.594 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.930 0.984 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.766 -0.585 -7.772 1.00 0.00 H new ATOM 500 N TYR A 33 54.028 0.962 -5.060 1.00 0.00 N ATOM 501 CA TYR A 33 52.676 1.264 -4.506 1.00 0.00 C ATOM 502 C TYR A 33 52.466 2.763 -4.302 1.00 0.00 C ATOM 503 O TYR A 33 53.236 3.585 -4.756 1.00 0.00 O ATOM 504 CB TYR A 33 52.647 0.562 -3.141 1.00 0.00 C ATOM 505 CG TYR A 33 53.189 -0.848 -3.253 1.00 0.00 C ATOM 506 CD1 TYR A 33 54.569 -1.062 -3.177 1.00 0.00 C ATOM 507 CD2 TYR A 33 52.322 -1.927 -3.458 1.00 0.00 C ATOM 508 CE1 TYR A 33 55.084 -2.350 -3.303 1.00 0.00 C ATOM 509 CE2 TYR A 33 52.839 -3.219 -3.589 1.00 0.00 C ATOM 510 CZ TYR A 33 54.221 -3.429 -3.510 1.00 0.00 C ATOM 511 OH TYR A 33 54.733 -4.697 -3.645 1.00 0.00 O ATOM 0 H TYR A 33 54.788 1.540 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 33 51.893 0.928 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.239 1.129 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.625 0.535 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 33 55.236 -0.227 -3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 33 51.256 -1.762 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.150 -2.514 -3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 33 52.173 -4.054 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 33 54.330 -5.131 -4.426 1.00 0.00 H new ATOM 521 N PHE A 34 51.419 3.107 -3.597 1.00 0.00 N ATOM 522 CA PHE A 34 51.121 4.542 -3.317 1.00 0.00 C ATOM 523 C PHE A 34 51.088 4.772 -1.805 1.00 0.00 C ATOM 524 O PHE A 34 50.310 4.164 -1.095 1.00 0.00 O ATOM 525 CB PHE A 34 49.744 4.795 -3.913 1.00 0.00 C ATOM 526 CG PHE A 34 49.887 5.251 -5.346 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.334 6.547 -5.626 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.569 4.378 -6.393 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.466 6.970 -6.955 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.701 4.801 -7.722 1.00 0.00 C ATOM 531 CZ PHE A 34 50.150 6.097 -8.002 1.00 0.00 C ATOM 0 H PHE A 34 50.751 2.447 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 34 51.872 5.209 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.145 3.886 -3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.218 5.552 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.577 7.221 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.222 3.379 -6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.812 7.970 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.456 4.128 -8.530 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.253 6.423 -9.026 1.00 0.00 H new ATOM 541 N ILE A 35 51.929 5.639 -1.317 1.00 0.00 N ATOM 542 CA ILE A 35 51.978 5.916 0.153 1.00 0.00 C ATOM 543 C ILE A 35 50.868 6.885 0.568 1.00 0.00 C ATOM 544 O ILE A 35 50.308 7.599 -0.239 1.00 0.00 O ATOM 545 CB ILE A 35 53.357 6.548 0.384 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.452 5.528 0.036 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.510 6.999 1.846 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.387 4.330 0.992 1.00 0.00 C ATOM 0 H ILE A 35 52.593 6.175 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 35 51.830 5.011 0.743 1.00 0.00 H new ATOM 0 HB ILE A 35 53.454 7.424 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.329 5.188 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.432 6.000 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.495 7.444 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.741 7.735 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.402 6.138 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.169 3.615 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.533 4.673 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.413 3.849 0.907 1.00 0.00 H new ATOM 560 N LEU A 36 50.573 6.912 1.840 1.00 0.00 N ATOM 561 CA LEU A 36 49.526 7.831 2.360 1.00 0.00 C ATOM 562 C LEU A 36 50.113 8.675 3.491 1.00 0.00 C ATOM 563 O LEU A 36 49.902 9.872 3.559 1.00 0.00 O ATOM 564 CB LEU A 36 48.416 6.922 2.887 1.00 0.00 C ATOM 565 CG LEU A 36 47.368 6.706 1.793 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.971 5.868 0.663 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.161 5.973 2.384 1.00 0.00 C ATOM 0 H LEU A 36 51.020 6.328 2.547 1.00 0.00 H new ATOM 0 HA LEU A 36 49.151 8.515 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.833 5.965 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.952 7.369 3.766 1.00 0.00 H new ATOM 0 HG LEU A 36 47.051 7.671 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.223 5.715 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.831 6.389 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 36 48.289 4.902 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.413 5.818 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 46.479 5.008 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.730 6.570 3.188 1.00 0.00 H new ATOM 579 N GLU A 37 50.855 8.056 4.379 1.00 0.00 N ATOM 580 CA GLU A 37 51.473 8.816 5.517 1.00 0.00 C ATOM 581 C GLU A 37 52.375 7.895 6.341 1.00 0.00 C ATOM 582 O GLU A 37 52.308 6.685 6.227 1.00 0.00 O ATOM 583 CB GLU A 37 50.300 9.304 6.376 1.00 0.00 C ATOM 584 CG GLU A 37 50.667 10.637 7.030 1.00 0.00 C ATOM 585 CD GLU A 37 49.461 11.176 7.803 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.434 11.396 7.182 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.585 11.358 9.003 1.00 0.00 O ATOM 0 H GLU A 37 51.060 7.057 4.366 1.00 0.00 H new ATOM 0 HA GLU A 37 52.087 9.643 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.409 9.422 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.063 8.564 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.514 10.503 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.975 11.355 6.270 1.00 0.00 H new ATOM 653 N PRO A 42 58.243 1.670 10.252 1.00 0.00 N ATOM 654 CA PRO A 42 58.613 0.326 9.719 1.00 0.00 C ATOM 655 C PRO A 42 57.484 -0.252 8.842 1.00 0.00 C ATOM 656 O PRO A 42 57.719 -1.074 7.984 1.00 0.00 O ATOM 657 CB PRO A 42 58.816 -0.500 10.994 1.00 0.00 C ATOM 658 CG PRO A 42 58.565 0.405 12.214 1.00 0.00 C ATOM 659 CD PRO A 42 58.397 1.848 11.724 1.00 0.00 C ATOM 0 HA PRO A 42 59.493 0.340 9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.133 -1.349 11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.828 -0.904 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.672 0.080 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.398 0.337 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.526 2.329 12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.262 2.464 11.971 1.00 0.00 H new ATOM 667 N TRP A 43 56.269 0.189 9.054 1.00 0.00 N ATOM 668 CA TRP A 43 55.114 -0.295 8.249 1.00 0.00 C ATOM 669 C TRP A 43 54.251 0.916 7.860 1.00 0.00 C ATOM 670 O TRP A 43 54.026 1.784 8.684 1.00 0.00 O ATOM 671 CB TRP A 43 54.344 -1.196 9.206 1.00 0.00 C ATOM 672 CG TRP A 43 55.171 -2.374 9.595 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.911 -2.435 10.712 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.344 -3.652 8.914 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.541 -3.664 10.772 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.221 -4.452 9.685 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.836 -4.192 7.718 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.579 -5.740 9.287 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.194 -5.486 7.316 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.063 -6.259 8.098 1.00 0.00 C ATOM 0 H TRP A 43 56.028 0.878 9.767 1.00 0.00 H new ATOM 0 HA TRP A 43 55.404 -0.815 7.336 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.061 -0.634 10.096 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.421 -1.532 8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.000 -1.649 11.447 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.165 -3.953 11.526 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.166 -3.606 7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.250 -6.331 9.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.797 -5.891 6.397 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.333 -7.255 7.781 1.00 0.00 H new ATOM 691 N TRP A 44 53.770 1.010 6.633 1.00 0.00 N ATOM 692 CA TRP A 44 52.941 2.201 6.271 1.00 0.00 C ATOM 693 C TRP A 44 51.518 1.792 5.928 1.00 0.00 C ATOM 694 O TRP A 44 51.125 0.664 6.113 1.00 0.00 O ATOM 695 CB TRP A 44 53.589 2.776 5.019 1.00 0.00 C ATOM 696 CG TRP A 44 55.003 3.176 5.264 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.526 3.620 6.431 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.078 3.185 4.299 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.873 3.890 6.234 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.258 3.637 4.928 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.131 2.839 2.944 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.459 3.742 4.224 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.325 2.942 2.230 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.494 3.393 2.866 1.00 0.00 C ATOM 0 H TRP A 44 53.914 0.328 5.888 1.00 0.00 H new ATOM 0 HA TRP A 44 52.896 2.908 7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.553 2.037 4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.020 3.641 4.679 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.986 3.743 7.358 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.501 4.232 6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.239 2.489 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.353 4.089 4.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.351 2.674 1.184 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.417 3.471 2.311 1.00 0.00 H new ATOM 715 N ARG A 45 50.766 2.706 5.383 1.00 0.00 N ATOM 716 CA ARG A 45 49.379 2.394 4.955 1.00 0.00 C ATOM 717 C ARG A 45 49.273 2.806 3.487 1.00 0.00 C ATOM 718 O ARG A 45 48.598 3.755 3.140 1.00 0.00 O ATOM 719 CB ARG A 45 48.471 3.252 5.839 1.00 0.00 C ATOM 720 CG ARG A 45 47.092 2.600 5.941 1.00 0.00 C ATOM 721 CD ARG A 45 46.504 2.862 7.329 1.00 0.00 C ATOM 722 NE ARG A 45 45.040 3.013 7.104 1.00 0.00 N ATOM 723 CZ ARG A 45 44.450 4.144 7.379 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.779 5.227 6.729 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.531 4.192 8.304 1.00 0.00 N ATOM 0 H ARG A 45 51.060 3.668 5.215 1.00 0.00 H new ATOM 0 HA ARG A 45 49.105 1.343 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.908 3.359 6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.381 4.254 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.431 3.001 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.171 1.527 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.716 2.037 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.930 3.761 7.775 1.00 0.00 H new ATOM 0 HE ARG A 45 44.498 2.232 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.497 5.189 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.318 6.111 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.274 3.346 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.070 5.076 8.519 1.00 0.00 H new ATOM 739 N ALA A 46 49.983 2.115 2.634 1.00 0.00 N ATOM 740 CA ALA A 46 49.997 2.470 1.185 1.00 0.00 C ATOM 741 C ALA A 46 49.092 1.534 0.390 1.00 0.00 C ATOM 742 O ALA A 46 48.797 0.433 0.815 1.00 0.00 O ATOM 743 CB ALA A 46 51.465 2.298 0.762 1.00 0.00 C ATOM 0 H ALA A 46 50.560 1.311 2.883 1.00 0.00 H new ATOM 0 HA ALA A 46 49.628 3.479 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.570 2.539 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.094 2.966 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.774 1.266 0.931 1.00 0.00 H new ATOM 749 N ARG A 47 48.657 1.963 -0.767 1.00 0.00 N ATOM 750 CA ARG A 47 47.779 1.098 -1.603 1.00 0.00 C ATOM 751 C ARG A 47 48.559 0.570 -2.800 1.00 0.00 C ATOM 752 O ARG A 47 49.546 1.149 -3.213 1.00 0.00 O ATOM 753 CB ARG A 47 46.640 1.995 -2.074 1.00 0.00 C ATOM 754 CG ARG A 47 45.735 2.337 -0.894 1.00 0.00 C ATOM 755 CD ARG A 47 45.198 3.762 -1.054 1.00 0.00 C ATOM 756 NE ARG A 47 43.981 3.621 -1.900 1.00 0.00 N ATOM 757 CZ ARG A 47 43.611 4.600 -2.680 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.481 5.172 -3.467 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.371 5.007 -2.672 1.00 0.00 N ATOM 0 H ARG A 47 48.873 2.876 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 47 47.408 0.238 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.041 2.908 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.066 1.492 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.907 1.630 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.290 2.250 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.958 4.204 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.935 4.411 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 47 43.436 2.759 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.450 4.854 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.192 5.937 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.692 4.560 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.081 5.772 -3.281 1.00 0.00 H new ATOM 773 N ASP A 48 48.123 -0.524 -3.357 1.00 0.00 N ATOM 774 CA ASP A 48 48.832 -1.105 -4.527 1.00 0.00 C ATOM 775 C ASP A 48 48.141 -0.690 -5.835 1.00 0.00 C ATOM 776 O ASP A 48 47.542 0.366 -5.918 1.00 0.00 O ATOM 777 CB ASP A 48 48.762 -2.622 -4.298 1.00 0.00 C ATOM 778 CG ASP A 48 47.307 -3.110 -4.356 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.420 -2.319 -4.079 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.107 -4.271 -4.678 1.00 0.00 O ATOM 0 H ASP A 48 47.301 -1.043 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 48 49.862 -0.759 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.355 -3.137 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.196 -2.870 -3.329 1.00 0.00 H new ATOM 785 N LYS A 49 48.224 -1.509 -6.856 1.00 0.00 N ATOM 786 CA LYS A 49 47.579 -1.164 -8.158 1.00 0.00 C ATOM 787 C LYS A 49 46.174 -1.767 -8.233 1.00 0.00 C ATOM 788 O LYS A 49 45.771 -2.296 -9.251 1.00 0.00 O ATOM 789 CB LYS A 49 48.485 -1.781 -9.224 1.00 0.00 C ATOM 790 CG LYS A 49 49.712 -0.891 -9.428 1.00 0.00 C ATOM 791 CD LYS A 49 49.408 0.163 -10.495 1.00 0.00 C ATOM 792 CE LYS A 49 48.821 1.410 -9.828 1.00 0.00 C ATOM 793 NZ LYS A 49 49.203 2.537 -10.722 1.00 0.00 N ATOM 0 H LYS A 49 48.713 -2.404 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 49 47.467 -0.088 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.794 -2.781 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.940 -1.888 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.983 -0.406 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.566 -1.496 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.318 0.421 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.705 -0.236 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.738 1.333 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.223 1.548 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.836 3.429 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.239 2.589 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.800 2.381 -11.668 1.00 0.00 H new ATOM 807 N ASN A 50 45.427 -1.684 -7.161 1.00 0.00 N ATOM 808 CA ASN A 50 44.047 -2.241 -7.158 1.00 0.00 C ATOM 809 C ASN A 50 43.124 -1.386 -6.280 1.00 0.00 C ATOM 810 O ASN A 50 42.065 -1.827 -5.875 1.00 0.00 O ATOM 811 CB ASN A 50 44.188 -3.649 -6.581 1.00 0.00 C ATOM 812 CG ASN A 50 44.580 -4.621 -7.696 1.00 0.00 C ATOM 813 OD1 ASN A 50 43.849 -4.795 -8.651 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.711 -5.266 -7.615 1.00 0.00 N ATOM 0 H ASN A 50 45.719 -1.251 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 50 43.607 -2.252 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.943 -3.657 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.249 -3.962 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.981 -5.916 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.325 -5.120 -6.814 1.00 0.00 H new ATOM 821 N GLY A 51 43.513 -0.167 -5.987 1.00 0.00 N ATOM 822 CA GLY A 51 42.658 0.716 -5.138 1.00 0.00 C ATOM 823 C GLY A 51 42.464 0.082 -3.759 1.00 0.00 C ATOM 824 O GLY A 51 41.459 0.296 -3.106 1.00 0.00 O ATOM 0 H GLY A 51 44.388 0.253 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.122 1.697 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.691 0.870 -5.617 1.00 0.00 H new ATOM 828 N GLN A 52 43.417 -0.696 -3.313 1.00 0.00 N ATOM 829 CA GLN A 52 43.294 -1.349 -1.975 1.00 0.00 C ATOM 830 C GLN A 52 44.441 -0.906 -1.064 1.00 0.00 C ATOM 831 O GLN A 52 45.598 -0.987 -1.428 1.00 0.00 O ATOM 832 CB GLN A 52 43.382 -2.848 -2.259 1.00 0.00 C ATOM 833 CG GLN A 52 41.979 -3.405 -2.508 1.00 0.00 C ATOM 834 CD GLN A 52 41.912 -4.855 -2.027 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.218 -5.144 -0.888 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.519 -5.786 -2.854 1.00 0.00 N ATOM 0 H GLN A 52 44.277 -0.908 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 52 42.366 -1.084 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.015 -3.027 -3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.844 -3.362 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.238 -2.802 -1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.738 -3.352 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.262 -5.543 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.469 -6.756 -2.543 1.00 0.00 H new ATOM 845 N GLU A 53 44.123 -0.446 0.118 1.00 0.00 N ATOM 846 CA GLU A 53 45.190 0.003 1.067 1.00 0.00 C ATOM 847 C GLU A 53 45.552 -1.131 2.029 1.00 0.00 C ATOM 848 O GLU A 53 44.744 -2.000 2.303 1.00 0.00 O ATOM 849 CB GLU A 53 44.586 1.191 1.831 1.00 0.00 C ATOM 850 CG GLU A 53 43.308 0.760 2.565 1.00 0.00 C ATOM 851 CD GLU A 53 43.258 1.425 3.943 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.693 2.559 4.048 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.784 0.787 4.869 1.00 0.00 O ATOM 0 H GLU A 53 43.169 -0.361 0.469 1.00 0.00 H new ATOM 0 HA GLU A 53 46.106 0.285 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.311 1.578 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.359 2.001 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.430 1.040 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.286 -0.324 2.672 1.00 0.00 H new ATOM 860 N GLY A 54 46.755 -1.127 2.548 1.00 0.00 N ATOM 861 CA GLY A 54 47.160 -2.202 3.498 1.00 0.00 C ATOM 862 C GLY A 54 48.457 -1.788 4.181 1.00 0.00 C ATOM 863 O GLY A 54 48.780 -0.619 4.226 1.00 0.00 O ATOM 0 H GLY A 54 47.471 -0.427 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.378 -2.365 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.297 -3.144 2.967 1.00 0.00 H new ATOM 867 N TYR A 55 49.205 -2.723 4.716 1.00 0.00 N ATOM 868 CA TYR A 55 50.474 -2.336 5.397 1.00 0.00 C ATOM 869 C TYR A 55 51.693 -2.582 4.501 1.00 0.00 C ATOM 870 O TYR A 55 51.719 -3.494 3.702 1.00 0.00 O ATOM 871 CB TYR A 55 50.544 -3.185 6.666 1.00 0.00 C ATOM 872 CG TYR A 55 49.546 -2.667 7.674 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.174 -2.808 7.437 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.994 -2.042 8.844 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.249 -2.325 8.371 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.070 -1.560 9.779 1.00 0.00 C ATOM 877 CZ TYR A 55 47.697 -1.701 9.542 1.00 0.00 C ATOM 878 OH TYR A 55 46.786 -1.226 10.462 1.00 0.00 O ATOM 0 H TYR A 55 48.994 -3.721 4.710 1.00 0.00 H new ATOM 0 HA TYR A 55 50.485 -1.271 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.331 -4.228 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.550 -3.151 7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.829 -3.289 6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.053 -1.932 9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.190 -2.434 8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.416 -1.080 10.682 1.00 0.00 H new ATOM 0 HH TYR A 55 45.986 -1.792 10.453 1.00 0.00 H new ATOM 888 N ILE A 56 52.700 -1.748 4.635 1.00 0.00 N ATOM 889 CA ILE A 56 53.933 -1.881 3.794 1.00 0.00 C ATOM 890 C ILE A 56 55.206 -1.828 4.666 1.00 0.00 C ATOM 891 O ILE A 56 55.524 -0.774 5.177 1.00 0.00 O ATOM 892 CB ILE A 56 53.892 -0.633 2.895 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.658 -0.686 1.993 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.159 -0.541 2.030 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.700 -1.952 1.145 1.00 0.00 C ATOM 0 H ILE A 56 52.719 -0.973 5.298 1.00 0.00 H new ATOM 0 HA ILE A 56 53.958 -2.824 3.247 1.00 0.00 H new ATOM 0 HB ILE A 56 53.842 0.249 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.752 -0.671 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.627 0.194 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.108 0.349 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.036 -0.481 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.233 -1.426 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.820 -1.989 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.599 -1.948 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.711 -2.826 1.796 1.00 0.00 H new ATOM 907 N PRO A 57 55.934 -2.930 4.788 1.00 0.00 N ATOM 908 CA PRO A 57 57.187 -2.897 5.580 1.00 0.00 C ATOM 909 C PRO A 57 58.168 -1.908 4.928 1.00 0.00 C ATOM 910 O PRO A 57 58.768 -2.201 3.912 1.00 0.00 O ATOM 911 CB PRO A 57 57.699 -4.335 5.475 1.00 0.00 C ATOM 912 CG PRO A 57 56.721 -5.147 4.606 1.00 0.00 C ATOM 913 CD PRO A 57 55.567 -4.234 4.174 1.00 0.00 C ATOM 0 HA PRO A 57 57.059 -2.576 6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.696 -4.350 5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.781 -4.780 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.235 -5.545 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.338 -6.000 5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.491 -4.163 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.606 -4.597 4.538 1.00 0.00 H new ATOM 921 N SER A 58 58.311 -0.732 5.493 1.00 0.00 N ATOM 922 CA SER A 58 59.228 0.309 4.909 1.00 0.00 C ATOM 923 C SER A 58 60.588 -0.279 4.508 1.00 0.00 C ATOM 924 O SER A 58 61.242 0.214 3.608 1.00 0.00 O ATOM 925 CB SER A 58 59.410 1.343 6.021 1.00 0.00 C ATOM 926 OG SER A 58 60.405 2.280 5.633 1.00 0.00 O ATOM 0 H SER A 58 57.828 -0.443 6.343 1.00 0.00 H new ATOM 0 HA SER A 58 58.806 0.734 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.468 1.855 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.701 0.849 6.948 1.00 0.00 H new ATOM 0 HG SER A 58 60.188 2.640 4.748 1.00 0.00 H new ATOM 932 N ASN A 59 61.012 -1.326 5.165 1.00 0.00 N ATOM 933 CA ASN A 59 62.325 -1.948 4.819 1.00 0.00 C ATOM 934 C ASN A 59 62.202 -2.729 3.507 1.00 0.00 C ATOM 935 O ASN A 59 63.088 -2.722 2.674 1.00 0.00 O ATOM 936 CB ASN A 59 62.645 -2.872 6.008 1.00 0.00 C ATOM 937 CG ASN A 59 61.737 -4.112 6.016 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.071 -5.124 5.433 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.603 -4.073 6.660 1.00 0.00 N ATOM 0 H ASN A 59 60.506 -1.778 5.927 1.00 0.00 H new ATOM 0 HA ASN A 59 63.118 -1.216 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.688 -3.184 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.521 -2.323 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 59 59.996 -4.893 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.323 -3.223 7.149 1.00 0.00 H new ATOM 946 N TYR A 60 61.101 -3.404 3.337 1.00 0.00 N ATOM 947 CA TYR A 60 60.883 -4.208 2.093 1.00 0.00 C ATOM 948 C TYR A 60 60.672 -3.298 0.878 1.00 0.00 C ATOM 949 O TYR A 60 60.985 -3.670 -0.235 1.00 0.00 O ATOM 950 CB TYR A 60 59.618 -5.028 2.358 1.00 0.00 C ATOM 951 CG TYR A 60 59.993 -6.406 2.854 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.192 -7.447 1.940 1.00 0.00 C ATOM 953 CD2 TYR A 60 60.139 -6.642 4.226 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.538 -8.724 2.396 1.00 0.00 C ATOM 955 CE2 TYR A 60 60.484 -7.919 4.683 1.00 0.00 C ATOM 956 CZ TYR A 60 60.684 -8.960 3.769 1.00 0.00 C ATOM 957 OH TYR A 60 61.024 -10.219 4.220 1.00 0.00 O ATOM 0 H TYR A 60 60.334 -3.436 4.009 1.00 0.00 H new ATOM 0 HA TYR A 60 61.746 -4.835 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.995 -4.523 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 60 59.028 -5.109 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.078 -7.265 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.985 -5.839 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.692 -9.527 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 60 60.596 -8.101 5.742 1.00 0.00 H new ATOM 0 HH TYR A 60 61.085 -10.211 5.198 1.00 0.00 H new ATOM 967 N VAL A 61 60.133 -2.117 1.074 1.00 0.00 N ATOM 968 CA VAL A 61 59.895 -1.206 -0.093 1.00 0.00 C ATOM 969 C VAL A 61 60.884 -0.039 -0.106 1.00 0.00 C ATOM 970 O VAL A 61 61.493 0.292 0.893 1.00 0.00 O ATOM 971 CB VAL A 61 58.467 -0.671 0.063 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.474 -1.828 -0.044 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.305 0.013 1.424 1.00 0.00 C ATOM 0 H VAL A 61 59.850 -1.747 1.981 1.00 0.00 H new ATOM 0 HA VAL A 61 60.031 -1.748 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 61 58.273 0.055 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.459 -1.447 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.577 -2.307 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.677 -2.555 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.287 0.389 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.506 -0.706 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.007 0.843 1.500 1.00 0.00 H new ATOM 983 N THR A 62 61.021 0.594 -1.243 1.00 0.00 N ATOM 984 CA THR A 62 61.942 1.761 -1.359 1.00 0.00 C ATOM 985 C THR A 62 61.228 2.882 -2.127 1.00 0.00 C ATOM 986 O THR A 62 60.021 3.010 -2.046 1.00 0.00 O ATOM 987 CB THR A 62 63.166 1.237 -2.126 1.00 0.00 C ATOM 988 OG1 THR A 62 64.108 2.291 -2.280 1.00 0.00 O ATOM 989 CG2 THR A 62 62.752 0.719 -3.506 1.00 0.00 C ATOM 0 H THR A 62 60.529 0.349 -2.102 1.00 0.00 H new ATOM 0 HA THR A 62 62.241 2.172 -0.395 1.00 0.00 H new ATOM 0 HB THR A 62 63.612 0.417 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.892 1.961 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.631 0.352 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.033 -0.092 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.296 1.528 -4.077 1.00 0.00 H new ATOM 997 N GLU A 63 61.947 3.687 -2.870 1.00 0.00 N ATOM 998 CA GLU A 63 61.281 4.786 -3.634 1.00 0.00 C ATOM 999 C GLU A 63 60.629 4.227 -4.899 1.00 0.00 C ATOM 1000 O GLU A 63 61.174 3.362 -5.550 1.00 0.00 O ATOM 1001 CB GLU A 63 62.396 5.772 -3.983 1.00 0.00 C ATOM 1002 CG GLU A 63 62.615 6.731 -2.813 1.00 0.00 C ATOM 1003 CD GLU A 63 61.685 7.937 -2.958 1.00 0.00 C ATOM 1004 OE1 GLU A 63 60.497 7.774 -2.736 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.178 9.003 -3.290 1.00 0.00 O ATOM 0 H GLU A 63 62.960 3.631 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 63 60.490 5.268 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.317 5.232 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.133 6.331 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.421 6.220 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.654 7.061 -2.789 1.00 0.00 H new ATOM 1012 N ALA A 64 59.458 4.711 -5.234 1.00 0.00 N ATOM 1013 CA ALA A 64 58.739 4.206 -6.446 1.00 0.00 C ATOM 1014 C ALA A 64 59.537 4.505 -7.726 1.00 0.00 C ATOM 1015 O ALA A 64 59.218 5.420 -8.465 1.00 0.00 O ATOM 1016 CB ALA A 64 57.415 4.962 -6.466 1.00 0.00 C ATOM 0 H ALA A 64 58.966 5.439 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 64 58.601 3.125 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.829 4.646 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.860 4.749 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.608 6.033 -6.531 1.00 0.00 H new