USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 11 TYR OH : rot 150:sc= -0.525 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -6.73! C(o=-6.7!,f=-3.2!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 28 SER OG : rot 36:sc= 0.538 USER MOD Single : A 45 THR OG1 : rot -42:sc= 1.28 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 GLN : amide:sc= -0.523 K(o=-0.52,f=-2.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.539 8.241 -0.805 1.00 0.00 N ATOM 94 CA GLU A 10 1.278 7.370 -1.945 1.00 0.00 C ATOM 95 C GLU A 10 1.783 5.955 -1.675 1.00 0.00 C ATOM 96 O GLU A 10 2.865 5.766 -1.119 1.00 0.00 O ATOM 97 CB GLU A 10 1.942 7.929 -3.205 1.00 0.00 C ATOM 98 CG GLU A 10 1.099 8.965 -3.928 1.00 0.00 C ATOM 99 CD GLU A 10 1.924 9.864 -4.828 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.684 9.332 -5.664 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.810 11.101 -4.696 1.00 0.00 O ATOM 0 HA GLU A 10 0.200 7.329 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.898 8.376 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.157 7.107 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.340 8.458 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.573 9.576 -3.194 1.00 0.00 H new ATOM 108 N TYR A 11 0.992 4.965 -2.073 1.00 0.00 N ATOM 109 CA TYR A 11 1.356 3.568 -1.873 1.00 0.00 C ATOM 110 C TYR A 11 1.315 2.800 -3.190 1.00 0.00 C ATOM 111 O TYR A 11 0.326 2.854 -3.922 1.00 0.00 O ATOM 112 CB TYR A 11 0.416 2.915 -0.858 1.00 0.00 C ATOM 113 CG TYR A 11 0.689 3.324 0.571 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.140 4.487 1.099 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.495 2.548 1.396 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.388 4.865 2.404 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.747 2.918 2.703 1.00 0.00 C ATOM 118 CZ TYR A 11 1.191 4.078 3.202 1.00 0.00 C ATOM 119 OH TYR A 11 1.439 4.450 4.503 1.00 0.00 O ATOM 0 H TYR A 11 0.094 5.104 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 11 2.375 3.536 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.613 3.172 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.503 1.832 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.491 5.105 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.932 1.640 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.045 5.773 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.375 2.303 3.330 1.00 0.00 H new ATOM 0 HH TYR A 11 1.580 3.650 5.051 1.00 0.00 H new ATOM 129 N ARG A 12 2.395 2.084 -3.484 1.00 0.00 N ATOM 130 CA ARG A 12 2.483 1.304 -4.713 1.00 0.00 C ATOM 131 C ARG A 12 2.096 -0.151 -4.463 1.00 0.00 C ATOM 132 O ARG A 12 2.673 -0.819 -3.606 1.00 0.00 O ATOM 133 CB ARG A 12 3.900 1.374 -5.286 1.00 0.00 C ATOM 134 CG ARG A 12 4.122 0.456 -6.476 1.00 0.00 C ATOM 135 CD ARG A 12 5.376 0.836 -7.248 1.00 0.00 C ATOM 136 NE ARG A 12 6.593 0.506 -6.511 1.00 0.00 N ATOM 137 CZ ARG A 12 7.781 0.354 -7.086 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.911 0.502 -8.397 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.842 0.053 -6.348 1.00 0.00 N ATOM 0 H ARG A 12 3.221 2.028 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 12 1.785 1.729 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.111 2.401 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.613 1.118 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.204 -0.575 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.258 0.502 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.382 0.319 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.360 1.905 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 12 6.527 0.386 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.098 0.733 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.824 0.385 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.746 -0.062 -5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.754 -0.064 -6.790 1.00 0.00 H new ATOM 153 N ALA A 13 1.113 -0.633 -5.217 1.00 0.00 N ATOM 154 CA ALA A 13 0.649 -2.008 -5.078 1.00 0.00 C ATOM 155 C ALA A 13 1.821 -2.984 -5.064 1.00 0.00 C ATOM 156 O ALA A 13 2.872 -2.718 -5.648 1.00 0.00 O ATOM 157 CB ALA A 13 -0.315 -2.356 -6.203 1.00 0.00 C ATOM 0 H ALA A 13 0.623 -0.092 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 13 0.126 -2.094 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.653 -3.386 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.174 -1.685 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.191 -2.247 -7.162 1.00 0.00 H new ATOM 163 N LEU A 14 1.634 -4.115 -4.392 1.00 0.00 N ATOM 164 CA LEU A 14 2.677 -5.131 -4.300 1.00 0.00 C ATOM 165 C LEU A 14 2.258 -6.408 -5.023 1.00 0.00 C ATOM 166 O LEU A 14 3.097 -7.138 -5.552 1.00 0.00 O ATOM 167 CB LEU A 14 2.988 -5.440 -2.835 1.00 0.00 C ATOM 168 CG LEU A 14 3.742 -4.355 -2.066 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.560 -4.538 -0.567 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.219 -4.371 -2.431 1.00 0.00 C ATOM 0 H LEU A 14 0.771 -4.351 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 14 3.574 -4.740 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.048 -5.637 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.573 -6.359 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 14 3.329 -3.386 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.104 -3.757 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.500 -4.475 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.945 -5.514 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.740 -3.592 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.645 -5.343 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.332 -4.190 -3.500 1.00 0.00 H new ATOM 182 N TYR A 15 0.956 -6.669 -5.043 1.00 0.00 N ATOM 183 CA TYR A 15 0.425 -7.858 -5.701 1.00 0.00 C ATOM 184 C TYR A 15 -0.990 -7.610 -6.215 1.00 0.00 C ATOM 185 O TYR A 15 -1.786 -6.928 -5.569 1.00 0.00 O ATOM 186 CB TYR A 15 0.429 -9.045 -4.736 1.00 0.00 C ATOM 187 CG TYR A 15 1.700 -9.162 -3.926 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.839 -8.494 -2.716 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.761 -9.941 -4.370 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.999 -8.598 -1.972 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.924 -10.052 -3.633 1.00 0.00 C ATOM 192 CZ TYR A 15 4.038 -9.378 -2.434 1.00 0.00 C ATOM 193 OH TYR A 15 5.195 -9.485 -1.697 1.00 0.00 O ATOM 0 H TYR A 15 0.249 -6.074 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 15 1.066 -8.088 -6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.418 -8.953 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.284 -9.964 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.027 -7.883 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.675 -10.469 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.091 -8.071 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.739 -10.662 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 15 5.826 -10.073 -2.162 1.00 0.00 H new ATOM 203 N ASP A 16 -1.295 -8.170 -7.380 1.00 0.00 N ATOM 204 CA ASP A 16 -2.614 -8.012 -7.982 1.00 0.00 C ATOM 205 C ASP A 16 -3.689 -8.660 -7.113 1.00 0.00 C ATOM 206 O ASP A 16 -3.733 -9.882 -6.971 1.00 0.00 O ATOM 207 CB ASP A 16 -2.636 -8.625 -9.383 1.00 0.00 C ATOM 208 CG ASP A 16 -2.804 -10.131 -9.354 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.937 -10.813 -8.767 1.00 0.00 O ATOM 210 OD2 ASP A 16 -3.801 -10.629 -9.918 1.00 0.00 O ATOM 0 H ASP A 16 -0.647 -8.737 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.826 -6.946 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.450 -8.183 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.709 -8.376 -9.900 1.00 0.00 H new ATOM 215 N TYR A 17 -4.551 -7.833 -6.534 1.00 0.00 N ATOM 216 CA TYR A 17 -5.623 -8.325 -5.676 1.00 0.00 C ATOM 217 C TYR A 17 -6.924 -8.470 -6.459 1.00 0.00 C ATOM 218 O TYR A 17 -7.123 -7.818 -7.485 1.00 0.00 O ATOM 219 CB TYR A 17 -5.831 -7.380 -4.491 1.00 0.00 C ATOM 220 CG TYR A 17 -7.165 -7.558 -3.802 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.397 -8.639 -2.961 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.194 -6.643 -3.991 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.614 -8.805 -2.330 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.414 -6.800 -3.363 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.620 -7.883 -2.534 1.00 0.00 C ATOM 226 OH TYR A 17 -10.833 -8.045 -1.906 1.00 0.00 O ATOM 0 H TYR A 17 -4.529 -6.819 -6.643 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.333 -9.307 -5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.033 -7.539 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.746 -6.350 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.612 -9.362 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.037 -5.794 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.778 -9.652 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.202 -6.079 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.431 -7.309 -2.155 1.00 0.00 H new ATOM 236 N THR A 18 -7.811 -9.331 -5.968 1.00 0.00 N ATOM 237 CA THR A 18 -9.093 -9.564 -6.620 1.00 0.00 C ATOM 238 C THR A 18 -10.245 -9.046 -5.767 1.00 0.00 C ATOM 239 O THR A 18 -10.539 -9.594 -4.705 1.00 0.00 O ATOM 240 CB THR A 18 -9.314 -11.061 -6.906 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.226 -11.577 -7.682 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.623 -11.283 -7.649 1.00 0.00 C ATOM 0 H THR A 18 -7.664 -9.879 -5.120 1.00 0.00 H new ATOM 0 HA THR A 18 -9.071 -9.021 -7.565 1.00 0.00 H new ATOM 0 HB THR A 18 -9.362 -11.587 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.373 -12.530 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.757 -12.348 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.452 -10.916 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.599 -10.745 -8.597 1.00 0.00 H new ATOM 250 N ALA A 19 -10.896 -7.987 -6.240 1.00 0.00 N ATOM 251 CA ALA A 19 -12.018 -7.397 -5.521 1.00 0.00 C ATOM 252 C ALA A 19 -13.260 -8.277 -5.625 1.00 0.00 C ATOM 253 O ALA A 19 -13.435 -9.004 -6.602 1.00 0.00 O ATOM 254 CB ALA A 19 -12.311 -6.003 -6.054 1.00 0.00 C ATOM 0 H ALA A 19 -10.665 -7.521 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.745 -7.322 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.151 -5.574 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.432 -5.371 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.560 -6.063 -7.114 1.00 0.00 H new ATOM 260 N GLN A 20 -14.117 -8.205 -4.612 1.00 0.00 N ATOM 261 CA GLN A 20 -15.342 -8.996 -4.591 1.00 0.00 C ATOM 262 C GLN A 20 -16.569 -8.097 -4.482 1.00 0.00 C ATOM 263 O GLN A 20 -17.550 -8.281 -5.201 1.00 0.00 O ATOM 264 CB GLN A 20 -15.314 -9.985 -3.424 1.00 0.00 C ATOM 265 CG GLN A 20 -14.146 -10.956 -3.476 1.00 0.00 C ATOM 266 CD GLN A 20 -13.948 -11.557 -4.854 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.762 -12.355 -5.319 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.862 -11.175 -5.516 1.00 0.00 N ATOM 0 H GLN A 20 -13.986 -7.608 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.403 -9.551 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.271 -9.428 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.246 -10.551 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.235 -10.439 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.311 -11.756 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.214 -10.511 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.676 -11.545 -6.448 1.00 0.00 H new ATOM 277 N ASN A 21 -16.506 -7.125 -3.579 1.00 0.00 N ATOM 278 CA ASN A 21 -17.613 -6.198 -3.376 1.00 0.00 C ATOM 279 C ASN A 21 -17.543 -5.041 -4.368 1.00 0.00 C ATOM 280 O ASN A 21 -16.473 -4.668 -4.849 1.00 0.00 O ATOM 281 CB ASN A 21 -17.598 -5.658 -1.944 1.00 0.00 C ATOM 282 CG ASN A 21 -17.246 -6.727 -0.927 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.823 -7.814 -0.927 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.293 -6.421 -0.054 1.00 0.00 N ATOM 0 H ASN A 21 -15.700 -6.959 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.543 -6.741 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.878 -4.842 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.577 -5.241 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.013 -7.100 0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.842 -5.507 -0.091 1.00 0.00 H new ATOM 291 N PRO A 22 -18.710 -4.458 -4.680 1.00 0.00 N ATOM 292 CA PRO A 22 -18.807 -3.334 -5.617 1.00 0.00 C ATOM 293 C PRO A 22 -18.207 -2.052 -5.048 1.00 0.00 C ATOM 294 O PRO A 22 -18.129 -1.034 -5.736 1.00 0.00 O ATOM 295 CB PRO A 22 -20.315 -3.173 -5.821 1.00 0.00 C ATOM 296 CG PRO A 22 -20.928 -3.732 -4.584 1.00 0.00 C ATOM 297 CD PRO A 22 -20.024 -4.850 -4.144 1.00 0.00 C ATOM 0 HA PRO A 22 -18.255 -3.522 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.586 -2.126 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.654 -3.709 -6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.010 -2.969 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.936 -4.099 -4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.003 -4.946 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.350 -5.811 -4.542 1.00 0.00 H new ATOM 305 N ASP A 23 -17.783 -2.110 -3.791 1.00 0.00 N ATOM 306 CA ASP A 23 -17.188 -0.954 -3.131 1.00 0.00 C ATOM 307 C ASP A 23 -15.694 -1.166 -2.905 1.00 0.00 C ATOM 308 O ASP A 23 -15.106 -0.586 -1.993 1.00 0.00 O ATOM 309 CB ASP A 23 -17.885 -0.687 -1.796 1.00 0.00 C ATOM 310 CG ASP A 23 -19.343 -0.310 -1.969 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.143 -1.190 -2.350 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.684 0.866 -1.722 1.00 0.00 O ATOM 0 H ASP A 23 -17.840 -2.945 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.320 -0.089 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.815 -1.576 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.365 0.115 -1.272 1.00 0.00 H new ATOM 317 N GLU A 24 -15.087 -2.002 -3.742 1.00 0.00 N ATOM 318 CA GLU A 24 -13.662 -2.292 -3.632 1.00 0.00 C ATOM 319 C GLU A 24 -12.912 -1.811 -4.871 1.00 0.00 C ATOM 320 O GLU A 24 -13.503 -1.232 -5.783 1.00 0.00 O ATOM 321 CB GLU A 24 -13.438 -3.793 -3.437 1.00 0.00 C ATOM 322 CG GLU A 24 -14.141 -4.360 -2.216 1.00 0.00 C ATOM 323 CD GLU A 24 -13.279 -4.307 -0.969 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.871 -3.194 -0.577 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.012 -5.379 -0.386 1.00 0.00 O ATOM 0 H GLU A 24 -15.559 -2.490 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.274 -1.759 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.786 -4.322 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.368 -3.984 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.062 -3.804 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.426 -5.394 -2.413 1.00 0.00 H new ATOM 332 N LEU A 25 -11.606 -2.055 -4.896 1.00 0.00 N ATOM 333 CA LEU A 25 -10.773 -1.647 -6.022 1.00 0.00 C ATOM 334 C LEU A 25 -9.685 -2.680 -6.297 1.00 0.00 C ATOM 335 O LEU A 25 -8.983 -3.114 -5.384 1.00 0.00 O ATOM 336 CB LEU A 25 -10.139 -0.283 -5.745 1.00 0.00 C ATOM 337 CG LEU A 25 -10.943 0.936 -6.199 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.362 2.210 -5.605 1.00 0.00 C ATOM 339 CD2 LEU A 25 -10.974 1.019 -7.718 1.00 0.00 C ATOM 0 H LEU A 25 -11.101 -2.533 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.409 -1.573 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.962 -0.198 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.164 -0.252 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.966 0.826 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.947 3.067 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.393 2.151 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.329 2.326 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.550 1.892 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.956 1.105 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.438 0.119 -8.122 1.00 0.00 H new ATOM 351 N ASP A 26 -9.550 -3.067 -7.560 1.00 0.00 N ATOM 352 CA ASP A 26 -8.545 -4.046 -7.957 1.00 0.00 C ATOM 353 C ASP A 26 -7.150 -3.428 -7.945 1.00 0.00 C ATOM 354 O ASP A 26 -6.915 -2.388 -8.561 1.00 0.00 O ATOM 355 CB ASP A 26 -8.860 -4.598 -9.348 1.00 0.00 C ATOM 356 CG ASP A 26 -9.983 -5.616 -9.326 1.00 0.00 C ATOM 357 OD1 ASP A 26 -11.139 -5.219 -9.069 1.00 0.00 O ATOM 358 OD2 ASP A 26 -9.706 -6.811 -9.564 1.00 0.00 O ATOM 0 H ASP A 26 -10.124 -2.718 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.567 -4.864 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.132 -3.775 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.964 -5.059 -9.764 1.00 0.00 H new ATOM 363 N LEU A 27 -6.228 -4.075 -7.239 1.00 0.00 N ATOM 364 CA LEU A 27 -4.856 -3.589 -7.146 1.00 0.00 C ATOM 365 C LEU A 27 -3.953 -4.315 -8.138 1.00 0.00 C ATOM 366 O LEU A 27 -4.315 -5.364 -8.670 1.00 0.00 O ATOM 367 CB LEU A 27 -4.324 -3.774 -5.724 1.00 0.00 C ATOM 368 CG LEU A 27 -4.656 -2.658 -4.732 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.087 -2.978 -3.359 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.126 -1.323 -5.234 1.00 0.00 C ATOM 0 H LEU A 27 -6.406 -4.937 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.855 -2.527 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.716 -4.712 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.240 -3.878 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.740 -2.586 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.333 -2.173 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.515 -3.912 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.004 -3.078 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.371 -0.541 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.044 -1.382 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.583 -1.089 -6.196 1.00 0.00 H new ATOM 382 N SER A 28 -2.774 -3.749 -8.381 1.00 0.00 N ATOM 383 CA SER A 28 -1.819 -4.342 -9.310 1.00 0.00 C ATOM 384 C SER A 28 -0.407 -3.834 -9.035 1.00 0.00 C ATOM 385 O SER A 28 -0.138 -2.637 -9.125 1.00 0.00 O ATOM 386 CB SER A 28 -2.215 -4.025 -10.753 1.00 0.00 C ATOM 387 OG SER A 28 -3.084 -5.016 -11.273 1.00 0.00 O ATOM 0 H SER A 28 -2.458 -2.881 -7.948 1.00 0.00 H new ATOM 0 HA SER A 28 -1.832 -5.422 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.703 -3.051 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.321 -3.960 -11.373 1.00 0.00 H new ATOM 0 HG SER A 28 -3.678 -5.336 -10.562 1.00 0.00 H new ATOM 393 N ALA A 29 0.491 -4.754 -8.698 1.00 0.00 N ATOM 394 CA ALA A 29 1.876 -4.401 -8.412 1.00 0.00 C ATOM 395 C ALA A 29 2.421 -3.429 -9.452 1.00 0.00 C ATOM 396 O ALA A 29 2.581 -3.780 -10.620 1.00 0.00 O ATOM 397 CB ALA A 29 2.738 -5.653 -8.354 1.00 0.00 C ATOM 0 H ALA A 29 0.284 -5.749 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 29 1.906 -3.907 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.770 -5.375 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.369 -6.312 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.693 -6.170 -9.312 1.00 0.00 H new ATOM 403 N GLY A 30 2.704 -2.204 -9.020 1.00 0.00 N ATOM 404 CA GLY A 30 3.228 -1.199 -9.927 1.00 0.00 C ATOM 405 C GLY A 30 2.392 0.065 -9.936 1.00 0.00 C ATOM 406 O GLY A 30 2.929 1.172 -9.999 1.00 0.00 O ATOM 0 H GLY A 30 2.580 -1.889 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.250 -0.953 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.270 -1.610 -10.935 1.00 0.00 H new ATOM 410 N ASP A 31 1.075 -0.097 -9.875 1.00 0.00 N ATOM 411 CA ASP A 31 0.163 1.041 -9.877 1.00 0.00 C ATOM 412 C ASP A 31 0.388 1.919 -8.651 1.00 0.00 C ATOM 413 O ASP A 31 0.695 1.422 -7.567 1.00 0.00 O ATOM 414 CB ASP A 31 -1.288 0.559 -9.917 1.00 0.00 C ATOM 415 CG ASP A 31 -1.658 -0.055 -11.252 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.048 0.330 -12.272 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.556 -0.922 -11.278 1.00 0.00 O ATOM 0 H ASP A 31 0.615 -1.006 -9.824 1.00 0.00 H new ATOM 0 HA ASP A 31 0.364 1.635 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.446 -0.175 -9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.952 1.398 -9.710 1.00 0.00 H new ATOM 422 N ILE A 32 0.233 3.227 -8.829 1.00 0.00 N ATOM 423 CA ILE A 32 0.418 4.174 -7.737 1.00 0.00 C ATOM 424 C ILE A 32 -0.911 4.788 -7.309 1.00 0.00 C ATOM 425 O ILE A 32 -1.578 5.460 -8.097 1.00 0.00 O ATOM 426 CB ILE A 32 1.390 5.303 -8.129 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.748 4.721 -8.528 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.547 6.289 -6.982 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.444 3.986 -7.405 1.00 0.00 C ATOM 0 H ILE A 32 -0.020 3.655 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 32 0.841 3.614 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 32 0.978 5.836 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.609 4.039 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.392 5.528 -8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.237 7.081 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.577 6.724 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.940 5.770 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.400 3.601 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.615 4.670 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.820 3.157 -7.071 1.00 0.00 H new ATOM 441 N LEU A 33 -1.289 4.553 -6.058 1.00 0.00 N ATOM 442 CA LEU A 33 -2.538 5.085 -5.524 1.00 0.00 C ATOM 443 C LEU A 33 -2.271 6.057 -4.379 1.00 0.00 C ATOM 444 O LEU A 33 -1.138 6.189 -3.916 1.00 0.00 O ATOM 445 CB LEU A 33 -3.435 3.944 -5.041 1.00 0.00 C ATOM 446 CG LEU A 33 -3.693 2.822 -6.046 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.517 1.858 -6.084 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.979 2.083 -5.703 1.00 0.00 C ATOM 0 H LEU A 33 -0.749 3.998 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.046 5.625 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.986 3.509 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.395 4.365 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.805 3.266 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.719 1.066 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.615 2.395 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.373 1.421 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.146 1.288 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.896 1.652 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.817 2.780 -5.728 1.00 0.00 H new ATOM 460 N GLU A 34 -3.322 6.733 -3.926 1.00 0.00 N ATOM 461 CA GLU A 34 -3.200 7.691 -2.833 1.00 0.00 C ATOM 462 C GLU A 34 -4.228 7.406 -1.742 1.00 0.00 C ATOM 463 O GLU A 34 -5.434 7.433 -1.987 1.00 0.00 O ATOM 464 CB GLU A 34 -3.377 9.118 -3.356 1.00 0.00 C ATOM 465 CG GLU A 34 -3.347 10.174 -2.264 1.00 0.00 C ATOM 466 CD GLU A 34 -1.935 10.553 -1.858 1.00 0.00 C ATOM 467 OE1 GLU A 34 -1.154 10.961 -2.742 1.00 0.00 O ATOM 468 OE2 GLU A 34 -1.613 10.442 -0.657 1.00 0.00 O ATOM 0 H GLU A 34 -4.267 6.635 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.203 7.589 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.589 9.332 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.325 9.186 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.873 11.064 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.885 9.804 -1.391 1.00 0.00 H new ATOM 475 N VAL A 35 -3.741 7.133 -0.536 1.00 0.00 N ATOM 476 CA VAL A 35 -4.616 6.843 0.594 1.00 0.00 C ATOM 477 C VAL A 35 -5.214 8.122 1.168 1.00 0.00 C ATOM 478 O VAL A 35 -4.508 9.109 1.381 1.00 0.00 O ATOM 479 CB VAL A 35 -3.862 6.096 1.710 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.533 6.775 2.005 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.717 6.012 2.966 1.00 0.00 C ATOM 0 H VAL A 35 -2.745 7.107 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.418 6.207 0.219 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.656 5.081 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.015 6.233 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.918 6.778 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.712 7.801 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.169 5.481 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.955 7.018 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.640 5.477 2.743 1.00 0.00 H new ATOM 491 N ILE A 36 -6.519 8.099 1.417 1.00 0.00 N ATOM 492 CA ILE A 36 -7.212 9.257 1.968 1.00 0.00 C ATOM 493 C ILE A 36 -7.492 9.073 3.456 1.00 0.00 C ATOM 494 O ILE A 36 -7.320 9.999 4.250 1.00 0.00 O ATOM 495 CB ILE A 36 -8.542 9.518 1.236 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.295 9.709 -0.262 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.240 10.736 1.823 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.715 11.062 -0.611 1.00 0.00 C ATOM 0 H ILE A 36 -7.118 7.291 1.246 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.554 10.115 1.827 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.190 8.652 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.617 8.931 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.236 9.577 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.178 10.907 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.444 10.564 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.598 11.610 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.566 11.127 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.402 11.846 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.758 11.189 -0.104 1.00 0.00 H new ATOM 510 N LEU A 37 -7.922 7.873 3.828 1.00 0.00 N ATOM 511 CA LEU A 37 -8.224 7.566 5.222 1.00 0.00 C ATOM 512 C LEU A 37 -7.674 6.197 5.609 1.00 0.00 C ATOM 513 O LEU A 37 -7.951 5.197 4.947 1.00 0.00 O ATOM 514 CB LEU A 37 -9.734 7.608 5.458 1.00 0.00 C ATOM 515 CG LEU A 37 -10.183 8.015 6.862 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.699 7.005 7.891 1.00 0.00 C ATOM 517 CD2 LEU A 37 -9.676 9.409 7.200 1.00 0.00 C ATOM 0 H LEU A 37 -8.070 7.096 3.184 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.744 8.319 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.174 8.302 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.143 6.622 5.239 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.273 8.031 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.028 7.311 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.111 6.023 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.610 6.956 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.005 9.683 8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.587 9.420 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.073 10.125 6.480 1.00 0.00 H new ATOM 529 N GLU A 38 -6.897 6.160 6.687 1.00 0.00 N ATOM 530 CA GLU A 38 -6.310 4.912 7.162 1.00 0.00 C ATOM 531 C GLU A 38 -7.319 4.116 7.985 1.00 0.00 C ATOM 532 O GLU A 38 -8.044 4.674 8.808 1.00 0.00 O ATOM 533 CB GLU A 38 -5.063 5.197 8.001 1.00 0.00 C ATOM 534 CG GLU A 38 -3.870 5.659 7.181 1.00 0.00 C ATOM 535 CD GLU A 38 -2.876 6.460 7.998 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.055 7.692 8.108 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.918 5.858 8.526 1.00 0.00 O ATOM 0 H GLU A 38 -6.660 6.979 7.247 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.027 4.319 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.301 5.960 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.790 4.295 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.368 4.790 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.221 6.265 6.346 1.00 0.00 H new ATOM 544 N GLY A 39 -7.360 2.807 7.756 1.00 0.00 N ATOM 545 CA GLY A 39 -8.283 1.955 8.482 1.00 0.00 C ATOM 546 C GLY A 39 -7.598 1.155 9.572 1.00 0.00 C ATOM 547 O GLY A 39 -6.619 0.455 9.315 1.00 0.00 O ATOM 0 H GLY A 39 -6.770 2.321 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.068 2.569 8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.768 1.272 7.784 1.00 0.00 H new ATOM 551 N GLU A 40 -8.112 1.260 10.793 1.00 0.00 N ATOM 552 CA GLU A 40 -7.541 0.541 11.927 1.00 0.00 C ATOM 553 C GLU A 40 -7.744 -0.964 11.775 1.00 0.00 C ATOM 554 O GLU A 40 -6.862 -1.756 12.108 1.00 0.00 O ATOM 555 CB GLU A 40 -8.172 1.023 13.235 1.00 0.00 C ATOM 556 CG GLU A 40 -7.544 0.410 14.475 1.00 0.00 C ATOM 557 CD GLU A 40 -8.403 0.588 15.712 1.00 0.00 C ATOM 558 OE1 GLU A 40 -8.538 1.739 16.179 1.00 0.00 O ATOM 559 OE2 GLU A 40 -8.939 -0.422 16.213 1.00 0.00 O ATOM 0 H GLU A 40 -8.922 1.835 11.023 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.471 0.745 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.085 2.108 13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.236 0.789 13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.375 -0.653 14.304 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.568 0.865 14.646 1.00 0.00 H new ATOM 566 N ASP A 41 -8.910 -1.349 11.271 1.00 0.00 N ATOM 567 CA ASP A 41 -9.230 -2.759 11.074 1.00 0.00 C ATOM 568 C ASP A 41 -8.337 -3.374 10.001 1.00 0.00 C ATOM 569 O ASP A 41 -7.873 -4.505 10.138 1.00 0.00 O ATOM 570 CB ASP A 41 -10.700 -2.921 10.686 1.00 0.00 C ATOM 571 CG ASP A 41 -11.639 -2.642 11.844 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.751 -3.506 12.738 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.262 -1.559 11.855 1.00 0.00 O ATOM 0 H ASP A 41 -9.650 -0.705 10.991 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.051 -3.282 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.932 -2.245 9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.867 -3.935 10.323 1.00 0.00 H new ATOM 578 N GLY A 42 -8.101 -2.620 8.931 1.00 0.00 N ATOM 579 CA GLY A 42 -7.266 -3.108 7.849 1.00 0.00 C ATOM 580 C GLY A 42 -7.674 -2.546 6.502 1.00 0.00 C ATOM 581 O GLY A 42 -6.843 -2.398 5.606 1.00 0.00 O ATOM 0 H GLY A 42 -8.473 -1.680 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.227 -2.845 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.319 -4.196 7.816 1.00 0.00 H new ATOM 585 N TRP A 43 -8.956 -2.233 6.358 1.00 0.00 N ATOM 586 CA TRP A 43 -9.473 -1.685 5.109 1.00 0.00 C ATOM 587 C TRP A 43 -9.030 -0.238 4.924 1.00 0.00 C ATOM 588 O TRP A 43 -9.513 0.661 5.613 1.00 0.00 O ATOM 589 CB TRP A 43 -11.000 -1.771 5.084 1.00 0.00 C ATOM 590 CG TRP A 43 -11.514 -3.167 4.902 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.262 -3.888 5.789 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.316 -4.011 3.763 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.541 -5.129 5.270 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.973 -5.229 4.027 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.650 -3.856 2.544 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.980 -6.283 3.118 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.658 -4.903 1.642 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.320 -6.104 1.933 1.00 0.00 C ATOM 0 H TRP A 43 -9.657 -2.349 7.090 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.069 -2.276 4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.395 -1.365 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.379 -1.144 4.277 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.586 -3.534 6.756 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.083 -5.858 5.734 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.138 -2.934 2.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.489 -7.210 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.146 -4.794 0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.309 -6.904 1.207 1.00 0.00 H new ATOM 609 N TRP A 44 -8.110 -0.021 3.992 1.00 0.00 N ATOM 610 CA TRP A 44 -7.602 1.319 3.718 1.00 0.00 C ATOM 611 C TRP A 44 -8.381 1.975 2.583 1.00 0.00 C ATOM 612 O TRP A 44 -8.851 1.299 1.667 1.00 0.00 O ATOM 613 CB TRP A 44 -6.115 1.260 3.365 1.00 0.00 C ATOM 614 CG TRP A 44 -5.224 1.148 4.565 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.451 0.406 5.688 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.964 1.801 4.761 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.409 0.557 6.571 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.484 1.407 6.025 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.195 2.677 3.991 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.271 1.862 6.535 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.991 3.128 4.498 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.538 2.720 5.760 1.00 0.00 C ATOM 0 H TRP A 44 -7.700 -0.754 3.413 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.731 1.921 4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.938 0.408 2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.846 2.155 2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.322 -0.210 5.858 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.336 0.109 7.484 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.535 2.996 3.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.921 1.549 7.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.389 3.806 3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.592 3.090 6.128 1.00 0.00 H new ATOM 633 N THR A 45 -8.515 3.296 2.649 1.00 0.00 N ATOM 634 CA THR A 45 -9.238 4.042 1.627 1.00 0.00 C ATOM 635 C THR A 45 -8.278 4.688 0.635 1.00 0.00 C ATOM 636 O THR A 45 -7.457 5.528 1.006 1.00 0.00 O ATOM 637 CB THR A 45 -10.125 5.136 2.252 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.112 4.540 3.101 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.808 5.961 1.172 1.00 0.00 C ATOM 0 H THR A 45 -8.132 3.871 3.400 1.00 0.00 H new ATOM 0 HA THR A 45 -9.871 3.326 1.102 1.00 0.00 H new ATOM 0 HB THR A 45 -9.489 5.796 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.480 3.743 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.429 6.727 1.637 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.053 6.437 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.432 5.312 0.558 1.00 0.00 H new ATOM 647 N VAL A 46 -8.385 4.292 -0.630 1.00 0.00 N ATOM 648 CA VAL A 46 -7.527 4.834 -1.676 1.00 0.00 C ATOM 649 C VAL A 46 -8.336 5.201 -2.915 1.00 0.00 C ATOM 650 O VAL A 46 -9.422 4.668 -3.139 1.00 0.00 O ATOM 651 CB VAL A 46 -6.426 3.833 -2.073 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.553 3.496 -0.874 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.039 2.575 -2.668 1.00 0.00 C ATOM 0 H VAL A 46 -9.058 3.598 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.062 5.732 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.795 4.295 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.781 2.787 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.085 4.406 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.167 3.053 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.246 1.879 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.694 2.107 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.616 2.836 -3.555 1.00 0.00 H new ATOM 663 N GLU A 47 -7.798 6.116 -3.717 1.00 0.00 N ATOM 664 CA GLU A 47 -8.471 6.554 -4.933 1.00 0.00 C ATOM 665 C GLU A 47 -7.741 6.045 -6.173 1.00 0.00 C ATOM 666 O GLU A 47 -6.511 6.053 -6.229 1.00 0.00 O ATOM 667 CB GLU A 47 -8.560 8.081 -4.972 1.00 0.00 C ATOM 668 CG GLU A 47 -9.220 8.621 -6.229 1.00 0.00 C ATOM 669 CD GLU A 47 -8.788 10.038 -6.553 1.00 0.00 C ATOM 670 OE1 GLU A 47 -9.117 10.952 -5.768 1.00 0.00 O ATOM 671 OE2 GLU A 47 -8.120 10.233 -7.590 1.00 0.00 O ATOM 0 H GLU A 47 -6.899 6.567 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.479 6.138 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.118 8.426 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.556 8.497 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.978 7.971 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.303 8.594 -6.106 1.00 0.00 H new ATOM 678 N ARG A 48 -8.508 5.603 -7.164 1.00 0.00 N ATOM 679 CA ARG A 48 -7.934 5.088 -8.402 1.00 0.00 C ATOM 680 C ARG A 48 -8.553 5.777 -9.615 1.00 0.00 C ATOM 681 O ARG A 48 -9.656 5.437 -10.039 1.00 0.00 O ATOM 682 CB ARG A 48 -8.147 3.576 -8.498 1.00 0.00 C ATOM 683 CG ARG A 48 -7.414 2.931 -9.663 1.00 0.00 C ATOM 684 CD ARG A 48 -6.017 2.484 -9.263 1.00 0.00 C ATOM 685 NE ARG A 48 -5.134 2.350 -10.419 1.00 0.00 N ATOM 686 CZ ARG A 48 -4.630 3.385 -11.082 1.00 0.00 C ATOM 687 NH1 ARG A 48 -4.920 4.623 -10.706 1.00 0.00 N ATOM 688 NH2 ARG A 48 -3.833 3.182 -12.124 1.00 0.00 N ATOM 0 H ARG A 48 -9.527 5.591 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.864 5.297 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.816 3.111 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.214 3.373 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.983 2.073 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.348 3.639 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.592 3.204 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.077 1.529 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.891 1.411 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.532 4.783 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.531 5.416 -11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.607 2.231 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.446 3.977 -12.633 1.00 0.00 H new ATOM 702 N ASN A 49 -7.833 6.749 -10.168 1.00 0.00 N ATOM 703 CA ASN A 49 -8.312 7.486 -11.332 1.00 0.00 C ATOM 704 C ASN A 49 -9.574 8.275 -10.995 1.00 0.00 C ATOM 705 O ASN A 49 -10.490 8.378 -11.809 1.00 0.00 O ATOM 706 CB ASN A 49 -8.590 6.527 -12.491 1.00 0.00 C ATOM 707 CG ASN A 49 -7.375 5.698 -12.860 1.00 0.00 C ATOM 708 OD1 ASN A 49 -6.260 6.213 -12.939 1.00 0.00 O ATOM 709 ND2 ASN A 49 -7.587 4.407 -13.088 1.00 0.00 N ATOM 0 H ASN A 49 -6.917 7.044 -9.829 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.534 8.189 -11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.411 5.863 -12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.915 7.098 -13.361 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.808 3.799 -13.340 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.529 4.023 -13.011 1.00 0.00 H new ATOM 716 N GLY A 50 -9.614 8.830 -9.787 1.00 0.00 N ATOM 717 CA GLY A 50 -10.767 9.602 -9.363 1.00 0.00 C ATOM 718 C GLY A 50 -11.772 8.768 -8.594 1.00 0.00 C ATOM 719 O GLY A 50 -12.529 9.294 -7.779 1.00 0.00 O ATOM 0 H GLY A 50 -8.868 8.758 -9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.435 10.432 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.252 10.035 -10.238 1.00 0.00 H new ATOM 723 N GLN A 51 -11.781 7.465 -8.855 1.00 0.00 N ATOM 724 CA GLN A 51 -12.703 6.558 -8.183 1.00 0.00 C ATOM 725 C GLN A 51 -12.233 6.257 -6.763 1.00 0.00 C ATOM 726 O GLN A 51 -11.084 6.523 -6.411 1.00 0.00 O ATOM 727 CB GLN A 51 -12.839 5.256 -8.974 1.00 0.00 C ATOM 728 CG GLN A 51 -13.934 5.296 -10.028 1.00 0.00 C ATOM 729 CD GLN A 51 -15.271 5.734 -9.465 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.539 5.573 -8.273 1.00 0.00 O ATOM 731 NE2 GLN A 51 -16.121 6.291 -10.320 1.00 0.00 N ATOM 0 H GLN A 51 -11.160 7.014 -9.527 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.677 7.045 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.888 5.034 -9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.043 4.439 -8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.640 5.977 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.039 4.307 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.858 6.405 -11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.037 6.605 -9.998 1.00 0.00 H new ATOM 740 N ARG A 52 -13.129 5.702 -5.954 1.00 0.00 N ATOM 741 CA ARG A 52 -12.805 5.367 -4.572 1.00 0.00 C ATOM 742 C ARG A 52 -13.031 3.881 -4.306 1.00 0.00 C ATOM 743 O ARG A 52 -13.948 3.274 -4.857 1.00 0.00 O ATOM 744 CB ARG A 52 -13.653 6.202 -3.611 1.00 0.00 C ATOM 745 CG ARG A 52 -13.021 6.380 -2.240 1.00 0.00 C ATOM 746 CD ARG A 52 -13.905 7.210 -1.322 1.00 0.00 C ATOM 747 NE ARG A 52 -14.867 6.385 -0.596 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.915 6.879 0.054 1.00 0.00 C ATOM 749 NH1 ARG A 52 -16.136 8.186 0.067 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.746 6.064 0.692 1.00 0.00 N ATOM 0 H ARG A 52 -14.084 5.475 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.751 5.593 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.827 7.184 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.628 5.728 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.844 5.403 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.050 6.863 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.282 7.751 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.439 7.957 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.727 5.375 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.500 8.816 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.942 8.562 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.580 5.058 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.550 6.444 1.191 1.00 0.00 H new ATOM 764 N GLY A 53 -12.186 3.302 -3.458 1.00 0.00 N ATOM 765 CA GLY A 53 -12.310 1.893 -3.134 1.00 0.00 C ATOM 766 C GLY A 53 -11.680 1.547 -1.799 1.00 0.00 C ATOM 767 O GLY A 53 -11.254 2.433 -1.058 1.00 0.00 O ATOM 0 H GLY A 53 -11.418 3.784 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.365 1.619 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.840 1.300 -3.919 1.00 0.00 H new ATOM 771 N PHE A 54 -11.622 0.256 -1.491 1.00 0.00 N ATOM 772 CA PHE A 54 -11.043 -0.205 -0.234 1.00 0.00 C ATOM 773 C PHE A 54 -10.183 -1.446 -0.455 1.00 0.00 C ATOM 774 O PHE A 54 -10.638 -2.436 -1.029 1.00 0.00 O ATOM 775 CB PHE A 54 -12.147 -0.509 0.780 1.00 0.00 C ATOM 776 CG PHE A 54 -12.855 0.718 1.281 1.00 0.00 C ATOM 777 CD1 PHE A 54 -13.973 1.205 0.623 1.00 0.00 C ATOM 778 CD2 PHE A 54 -12.403 1.383 2.409 1.00 0.00 C ATOM 779 CE1 PHE A 54 -14.627 2.334 1.081 1.00 0.00 C ATOM 780 CE2 PHE A 54 -13.053 2.512 2.872 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.166 2.988 2.206 1.00 0.00 C ATOM 0 H PHE A 54 -11.969 -0.490 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.409 0.590 0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.876 -1.178 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.715 -1.041 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.338 0.697 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.533 1.015 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.497 2.704 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.691 3.021 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.675 3.870 2.565 1.00 0.00 H new ATOM 791 N VAL A 55 -8.938 -1.386 0.005 1.00 0.00 N ATOM 792 CA VAL A 55 -8.014 -2.505 -0.141 1.00 0.00 C ATOM 793 C VAL A 55 -7.172 -2.690 1.117 1.00 0.00 C ATOM 794 O VAL A 55 -6.896 -1.743 1.854 1.00 0.00 O ATOM 795 CB VAL A 55 -7.077 -2.305 -1.347 1.00 0.00 C ATOM 796 CG1 VAL A 55 -7.882 -2.164 -2.630 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.183 -1.094 -1.132 1.00 0.00 C ATOM 0 H VAL A 55 -8.545 -0.574 0.482 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.620 -3.397 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.440 -3.185 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.204 -2.023 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.475 -3.065 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.545 -1.303 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.528 -0.968 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.800 -0.203 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.580 -1.241 -0.236 1.00 0.00 H new ATOM 807 N PRO A 56 -6.753 -3.938 1.370 1.00 0.00 N ATOM 808 CA PRO A 56 -5.935 -4.278 2.538 1.00 0.00 C ATOM 809 C PRO A 56 -4.520 -3.718 2.438 1.00 0.00 C ATOM 810 O PRO A 56 -3.883 -3.801 1.389 1.00 0.00 O ATOM 811 CB PRO A 56 -5.908 -5.808 2.520 1.00 0.00 C ATOM 812 CG PRO A 56 -6.134 -6.174 1.093 1.00 0.00 C ATOM 813 CD PRO A 56 -7.044 -5.115 0.534 1.00 0.00 C ATOM 0 HA PRO A 56 -6.342 -3.857 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.954 -6.191 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.683 -6.225 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.192 -6.209 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.587 -7.162 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.836 -4.921 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.092 -5.408 0.603 1.00 0.00 H new ATOM 821 N GLY A 57 -4.035 -3.148 3.537 1.00 0.00 N ATOM 822 CA GLY A 57 -2.698 -2.583 3.551 1.00 0.00 C ATOM 823 C GLY A 57 -1.637 -3.597 3.172 1.00 0.00 C ATOM 824 O GLY A 57 -0.685 -3.273 2.462 1.00 0.00 O ATOM 0 H GLY A 57 -4.544 -3.067 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.655 -1.741 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.483 -2.191 4.545 1.00 0.00 H new ATOM 828 N SER A 58 -1.799 -4.827 3.648 1.00 0.00 N ATOM 829 CA SER A 58 -0.844 -5.891 3.359 1.00 0.00 C ATOM 830 C SER A 58 -0.431 -5.866 1.891 1.00 0.00 C ATOM 831 O SER A 58 0.684 -6.255 1.541 1.00 0.00 O ATOM 832 CB SER A 58 -1.444 -7.253 3.709 1.00 0.00 C ATOM 833 OG SER A 58 -1.623 -7.387 5.109 1.00 0.00 O ATOM 0 H SER A 58 -2.583 -5.112 4.236 1.00 0.00 H new ATOM 0 HA SER A 58 0.043 -5.725 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.402 -7.372 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.791 -8.046 3.345 1.00 0.00 H new ATOM 0 HG SER A 58 -2.009 -8.266 5.307 1.00 0.00 H new ATOM 839 N TYR A 59 -1.337 -5.407 1.035 1.00 0.00 N ATOM 840 CA TYR A 59 -1.070 -5.333 -0.396 1.00 0.00 C ATOM 841 C TYR A 59 -0.675 -3.918 -0.805 1.00 0.00 C ATOM 842 O TYR A 59 -0.991 -3.466 -1.906 1.00 0.00 O ATOM 843 CB TYR A 59 -2.299 -5.781 -1.189 1.00 0.00 C ATOM 844 CG TYR A 59 -2.634 -7.245 -1.011 1.00 0.00 C ATOM 845 CD1 TYR A 59 -2.913 -7.766 0.247 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.673 -8.107 -2.100 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.219 -9.103 0.414 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.980 -9.444 -1.943 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.251 -9.938 -0.684 1.00 0.00 C ATOM 850 OH TYR A 59 -3.557 -11.269 -0.521 1.00 0.00 O ATOM 0 H TYR A 59 -2.264 -5.080 1.308 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.238 -6.001 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.156 -5.181 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.131 -5.581 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.890 -7.115 1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.459 -7.724 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.432 -9.492 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.008 -10.099 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.538 -11.718 -1.392 1.00 0.00 H new ATOM 860 N LEU A 60 0.018 -3.222 0.090 1.00 0.00 N ATOM 861 CA LEU A 60 0.458 -1.857 -0.176 1.00 0.00 C ATOM 862 C LEU A 60 1.885 -1.640 0.315 1.00 0.00 C ATOM 863 O LEU A 60 2.252 -2.085 1.402 1.00 0.00 O ATOM 864 CB LEU A 60 -0.483 -0.857 0.498 1.00 0.00 C ATOM 865 CG LEU A 60 -1.879 -0.730 -0.114 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.730 0.238 0.692 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.785 -0.281 -1.565 1.00 0.00 C ATOM 0 H LEU A 60 0.287 -3.581 1.006 1.00 0.00 H new ATOM 0 HA LEU A 60 0.436 -1.698 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.592 -1.140 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.010 0.125 0.481 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.357 -1.709 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.719 0.315 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.825 -0.126 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.257 1.220 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.787 -0.196 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.287 0.687 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.213 -1.013 -2.136 1.00 0.00 H new ATOM 879 N GLU A 61 2.685 -0.950 -0.492 1.00 0.00 N ATOM 880 CA GLU A 61 4.072 -0.673 -0.139 1.00 0.00 C ATOM 881 C GLU A 61 4.304 0.827 0.019 1.00 0.00 C ATOM 882 O GLU A 61 4.194 1.589 -0.942 1.00 0.00 O ATOM 883 CB GLU A 61 5.016 -1.237 -1.203 1.00 0.00 C ATOM 884 CG GLU A 61 6.481 -0.932 -0.940 1.00 0.00 C ATOM 885 CD GLU A 61 7.413 -1.778 -1.786 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.278 -1.751 -3.027 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.278 -2.467 -1.205 1.00 0.00 O ATOM 0 H GLU A 61 2.396 -0.573 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 61 4.281 -1.158 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.883 -2.317 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.738 -0.831 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.671 0.122 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.700 -1.100 0.114 1.00 0.00 H new ATOM 894 N LYS A 62 4.625 1.245 1.239 1.00 0.00 N ATOM 895 CA LYS A 62 4.873 2.653 1.525 1.00 0.00 C ATOM 896 C LYS A 62 6.091 3.158 0.758 1.00 0.00 C ATOM 897 O LYS A 62 7.219 2.738 1.019 1.00 0.00 O ATOM 898 CB LYS A 62 5.081 2.861 3.027 1.00 0.00 C ATOM 899 CG LYS A 62 4.793 4.278 3.491 1.00 0.00 C ATOM 900 CD LYS A 62 5.346 4.532 4.883 1.00 0.00 C ATOM 901 CE LYS A 62 4.345 4.142 5.960 1.00 0.00 C ATOM 902 NZ LYS A 62 4.825 4.504 7.322 1.00 0.00 N ATOM 0 H LYS A 62 4.719 0.628 2.046 1.00 0.00 H new ATOM 0 HA LYS A 62 4.001 3.222 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.438 2.171 3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.110 2.607 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.231 4.988 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.717 4.451 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.267 3.965 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.602 5.586 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.393 4.637 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.161 3.069 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.114 4.222 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.720 4.012 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.976 5.532 7.375 1.00 0.00 H new ATOM 916 N LEU A 63 5.856 4.061 -0.187 1.00 0.00 N ATOM 917 CA LEU A 63 6.935 4.624 -0.992 1.00 0.00 C ATOM 918 C LEU A 63 7.812 5.550 -0.155 1.00 0.00 C ATOM 919 O LEU A 63 7.312 6.429 0.546 1.00 0.00 O ATOM 920 CB LEU A 63 6.362 5.389 -2.186 1.00 0.00 C ATOM 921 CG LEU A 63 6.049 4.556 -3.429 1.00 0.00 C ATOM 922 CD1 LEU A 63 4.954 5.216 -4.253 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.303 4.358 -4.268 1.00 0.00 C ATOM 0 H LEU A 63 4.929 4.419 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 63 7.550 3.801 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.447 5.887 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.069 6.170 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 63 5.693 3.578 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.745 4.608 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.050 5.306 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.282 6.208 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.061 3.763 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.689 5.328 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.058 3.841 -3.677 1.00 0.00 H new