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 80:sc= -1.61 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= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 21 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.042) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -49:sc= 0.509 USER MOD Single : A 49 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.87) USER MOD Single : A 51 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.016) 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 1.767 8.558 -0.831 1.00 0.00 N ATOM 94 CA GLU A 10 1.535 7.676 -1.969 1.00 0.00 C ATOM 95 C GLU A 10 1.914 6.237 -1.629 1.00 0.00 C ATOM 96 O GLU A 10 2.855 5.994 -0.872 1.00 0.00 O ATOM 97 CB GLU A 10 2.335 8.152 -3.183 1.00 0.00 C ATOM 98 CG GLU A 10 1.588 9.153 -4.050 1.00 0.00 C ATOM 99 CD GLU A 10 2.521 10.049 -4.842 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.143 10.944 -4.234 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.628 9.853 -6.071 1.00 0.00 O ATOM 0 HA GLU A 10 0.472 7.707 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.265 8.604 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.606 7.288 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.935 8.616 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.948 9.769 -3.418 1.00 0.00 H new ATOM 108 N TYR A 11 1.176 5.288 -2.193 1.00 0.00 N ATOM 109 CA TYR A 11 1.432 3.874 -1.948 1.00 0.00 C ATOM 110 C TYR A 11 1.463 3.091 -3.257 1.00 0.00 C ATOM 111 O TYR A 11 0.649 3.322 -4.151 1.00 0.00 O ATOM 112 CB TYR A 11 0.364 3.294 -1.019 1.00 0.00 C ATOM 113 CG TYR A 11 0.450 3.812 0.399 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.229 5.154 0.684 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.750 2.959 1.454 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.307 5.631 1.978 1.00 0.00 C ATOM 117 CE2 TYR A 11 0.828 3.427 2.751 1.00 0.00 C ATOM 118 CZ TYR A 11 0.607 4.764 3.008 1.00 0.00 C ATOM 119 OH TYR A 11 0.684 5.235 4.299 1.00 0.00 O ATOM 0 H TYR A 11 0.395 5.472 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 11 2.407 3.785 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.622 3.526 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.456 2.208 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.008 5.835 -0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.925 1.912 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.134 6.677 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.061 2.750 3.560 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.219 5.326 4.669 1.00 0.00 H new ATOM 129 N ARG A 12 2.408 2.162 -3.362 1.00 0.00 N ATOM 130 CA ARG A 12 2.546 1.345 -4.561 1.00 0.00 C ATOM 131 C ARG A 12 2.192 -0.111 -4.270 1.00 0.00 C ATOM 132 O ARG A 12 2.761 -0.731 -3.372 1.00 0.00 O ATOM 133 CB ARG A 12 3.974 1.435 -5.103 1.00 0.00 C ATOM 134 CG ARG A 12 4.214 0.571 -6.331 1.00 0.00 C ATOM 135 CD ARG A 12 5.698 0.321 -6.554 1.00 0.00 C ATOM 136 NE ARG A 12 5.949 -0.414 -7.791 1.00 0.00 N ATOM 137 CZ ARG A 12 7.157 -0.572 -8.319 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.219 -0.051 -7.721 1.00 0.00 N ATOM 139 NH2 ARG A 12 7.305 -1.254 -9.448 1.00 0.00 N ATOM 0 H ARG A 12 3.089 1.957 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 12 1.854 1.726 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.195 2.473 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.671 1.139 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.697 -0.381 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.790 1.058 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.226 1.274 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.102 -0.239 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 12 5.153 -0.828 -8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.110 0.473 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.146 -0.174 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.490 -1.657 -9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.233 -1.375 -9.853 1.00 0.00 H new ATOM 153 N ALA A 13 1.248 -0.649 -5.035 1.00 0.00 N ATOM 154 CA ALA A 13 0.819 -2.031 -4.861 1.00 0.00 C ATOM 155 C ALA A 13 2.006 -2.986 -4.921 1.00 0.00 C ATOM 156 O ALA A 13 3.038 -2.673 -5.515 1.00 0.00 O ATOM 157 CB ALA A 13 -0.213 -2.400 -5.916 1.00 0.00 C ATOM 0 H ALA A 13 0.766 -0.149 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 13 0.363 -2.123 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.524 -3.435 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.079 -1.744 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.224 -2.285 -6.908 1.00 0.00 H new ATOM 163 N LEU A 14 1.853 -4.152 -4.303 1.00 0.00 N ATOM 164 CA LEU A 14 2.913 -5.153 -4.286 1.00 0.00 C ATOM 165 C LEU A 14 2.453 -6.445 -4.955 1.00 0.00 C ATOM 166 O LEU A 14 3.226 -7.105 -5.650 1.00 0.00 O ATOM 167 CB LEU A 14 3.350 -5.438 -2.848 1.00 0.00 C ATOM 168 CG LEU A 14 3.910 -4.248 -2.069 1.00 0.00 C ATOM 169 CD1 LEU A 14 4.014 -4.580 -0.588 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.268 -3.840 -2.622 1.00 0.00 C ATOM 0 H LEU A 14 1.005 -4.427 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 14 3.761 -4.758 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.494 -5.834 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.107 -6.222 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 14 3.225 -3.408 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.415 -3.721 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.025 -4.823 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.677 -5.434 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.652 -2.991 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.962 -4.676 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.165 -3.559 -3.670 1.00 0.00 H new ATOM 182 N TYR A 15 1.190 -6.798 -4.743 1.00 0.00 N ATOM 183 CA TYR A 15 0.627 -8.010 -5.325 1.00 0.00 C ATOM 184 C TYR A 15 -0.722 -7.725 -5.978 1.00 0.00 C ATOM 185 O TYR A 15 -1.438 -6.808 -5.574 1.00 0.00 O ATOM 186 CB TYR A 15 0.469 -9.090 -4.253 1.00 0.00 C ATOM 187 CG TYR A 15 1.668 -9.217 -3.341 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.895 -8.296 -2.325 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.576 -10.258 -3.495 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.989 -8.408 -1.490 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.672 -10.379 -2.663 1.00 0.00 C ATOM 192 CZ TYR A 15 3.875 -9.451 -1.662 1.00 0.00 C ATOM 193 OH TYR A 15 4.966 -9.567 -0.833 1.00 0.00 O ATOM 0 H TYR A 15 0.537 -6.262 -4.172 1.00 0.00 H new ATOM 0 HA TYR A 15 1.314 -8.367 -6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.412 -8.867 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.289 -10.049 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.203 -7.478 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.422 -10.985 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.150 -7.683 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.366 -11.196 -2.795 1.00 0.00 H new ATOM 0 HH TYR A 15 5.488 -10.356 -1.088 1.00 0.00 H new ATOM 203 N ASP A 16 -1.061 -8.517 -6.989 1.00 0.00 N ATOM 204 CA ASP A 16 -2.325 -8.352 -7.698 1.00 0.00 C ATOM 205 C ASP A 16 -3.489 -8.875 -6.862 1.00 0.00 C ATOM 206 O ASP A 16 -3.601 -10.076 -6.617 1.00 0.00 O ATOM 207 CB ASP A 16 -2.278 -9.081 -9.042 1.00 0.00 C ATOM 208 CG ASP A 16 -2.148 -10.583 -8.882 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.212 -11.026 -8.185 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.982 -11.315 -9.455 1.00 0.00 O ATOM 0 H ASP A 16 -0.479 -9.279 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.478 -7.288 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.183 -8.856 -9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.437 -8.707 -9.626 1.00 0.00 H new ATOM 215 N TYR A 17 -4.353 -7.965 -6.427 1.00 0.00 N ATOM 216 CA TYR A 17 -5.507 -8.333 -5.616 1.00 0.00 C ATOM 217 C TYR A 17 -6.791 -8.275 -6.437 1.00 0.00 C ATOM 218 O TYR A 17 -6.988 -7.365 -7.243 1.00 0.00 O ATOM 219 CB TYR A 17 -5.622 -7.407 -4.404 1.00 0.00 C ATOM 220 CG TYR A 17 -6.922 -7.557 -3.647 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.196 -8.708 -2.919 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.877 -6.548 -3.660 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.383 -8.850 -2.227 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.066 -6.680 -2.970 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.315 -7.834 -2.255 1.00 0.00 C ATOM 226 OH TYR A 17 -10.498 -7.971 -1.566 1.00 0.00 O ATOM 0 H TYR A 17 -4.276 -6.967 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.364 -9.357 -5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.792 -7.605 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.522 -6.374 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.468 -9.506 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.686 -5.644 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.580 -9.752 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.797 -5.885 -2.990 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.043 -7.166 -1.688 1.00 0.00 H new ATOM 236 N THR A 18 -7.665 -9.255 -6.227 1.00 0.00 N ATOM 237 CA THR A 18 -8.931 -9.318 -6.947 1.00 0.00 C ATOM 238 C THR A 18 -10.098 -8.939 -6.042 1.00 0.00 C ATOM 239 O THR A 18 -10.586 -9.760 -5.266 1.00 0.00 O ATOM 240 CB THR A 18 -9.180 -10.724 -7.524 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.017 -11.178 -8.226 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.375 -10.719 -8.464 1.00 0.00 C ATOM 0 H THR A 18 -7.519 -10.016 -5.564 1.00 0.00 H new ATOM 0 HA THR A 18 -8.864 -8.603 -7.767 1.00 0.00 H new ATOM 0 HB THR A 18 -9.392 -11.400 -6.696 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.182 -12.073 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.531 -11.723 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.264 -10.400 -7.920 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.187 -10.030 -9.288 1.00 0.00 H new ATOM 250 N ALA A 19 -10.541 -7.691 -6.147 1.00 0.00 N ATOM 251 CA ALA A 19 -11.653 -7.204 -5.339 1.00 0.00 C ATOM 252 C ALA A 19 -12.919 -8.011 -5.606 1.00 0.00 C ATOM 253 O ALA A 19 -13.480 -7.957 -6.700 1.00 0.00 O ATOM 254 CB ALA A 19 -11.897 -5.728 -5.613 1.00 0.00 C ATOM 0 H ALA A 19 -10.147 -6.998 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.390 -7.328 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.730 -5.378 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.001 -5.159 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.135 -5.588 -6.667 1.00 0.00 H new ATOM 260 N GLN A 20 -13.363 -8.757 -4.600 1.00 0.00 N ATOM 261 CA GLN A 20 -14.562 -9.576 -4.728 1.00 0.00 C ATOM 262 C GLN A 20 -15.797 -8.704 -4.930 1.00 0.00 C ATOM 263 O GLN A 20 -16.576 -8.920 -5.857 1.00 0.00 O ATOM 264 CB GLN A 20 -14.740 -10.454 -3.488 1.00 0.00 C ATOM 265 CG GLN A 20 -13.660 -11.512 -3.332 1.00 0.00 C ATOM 266 CD GLN A 20 -13.613 -12.477 -4.500 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.554 -13.237 -4.730 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.515 -12.451 -5.246 1.00 0.00 N ATOM 0 H GLN A 20 -12.910 -8.811 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.444 -10.215 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.746 -9.820 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.713 -10.944 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.691 -11.024 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.834 -12.070 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.759 -11.805 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.427 -13.077 -6.046 1.00 0.00 H new ATOM 277 N ASN A 21 -15.969 -7.719 -4.054 1.00 0.00 N ATOM 278 CA ASN A 21 -17.111 -6.815 -4.136 1.00 0.00 C ATOM 279 C ASN A 21 -16.849 -5.697 -5.141 1.00 0.00 C ATOM 280 O ASN A 21 -15.707 -5.319 -5.402 1.00 0.00 O ATOM 281 CB ASN A 21 -17.415 -6.218 -2.760 1.00 0.00 C ATOM 282 CG ASN A 21 -17.229 -7.223 -1.640 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.088 -8.072 -1.403 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.101 -7.131 -0.944 1.00 0.00 N ATOM 0 H ASN A 21 -15.333 -7.527 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.974 -7.389 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.764 -5.361 -2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.440 -5.848 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.920 -7.780 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.416 -6.411 -1.175 1.00 0.00 H new ATOM 291 N PRO A 22 -17.931 -5.155 -5.718 1.00 0.00 N ATOM 292 CA PRO A 22 -17.844 -4.072 -6.703 1.00 0.00 C ATOM 293 C PRO A 22 -17.397 -2.755 -6.078 1.00 0.00 C ATOM 294 O PRO A 22 -16.857 -1.885 -6.761 1.00 0.00 O ATOM 295 CB PRO A 22 -19.277 -3.955 -7.229 1.00 0.00 C ATOM 296 CG PRO A 22 -20.129 -4.479 -6.125 1.00 0.00 C ATOM 297 CD PRO A 22 -19.323 -5.557 -5.455 1.00 0.00 C ATOM 0 HA PRO A 22 -17.107 -4.284 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.528 -2.921 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.412 -4.534 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.384 -3.688 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.067 -4.877 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.531 -5.609 -4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.543 -6.540 -5.871 1.00 0.00 H new ATOM 305 N ASP A 23 -17.624 -2.616 -4.776 1.00 0.00 N ATOM 306 CA ASP A 23 -17.243 -1.405 -4.059 1.00 0.00 C ATOM 307 C ASP A 23 -15.730 -1.334 -3.879 1.00 0.00 C ATOM 308 O ASP A 23 -15.130 -0.266 -4.000 1.00 0.00 O ATOM 309 CB ASP A 23 -17.934 -1.355 -2.696 1.00 0.00 C ATOM 310 CG ASP A 23 -19.371 -1.833 -2.758 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.225 -1.082 -3.273 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.643 -2.959 -2.290 1.00 0.00 O ATOM 0 H ASP A 23 -18.070 -3.327 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.561 -0.547 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.379 -1.971 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.910 -0.333 -2.317 1.00 0.00 H new ATOM 317 N GLU A 24 -15.119 -2.478 -3.587 1.00 0.00 N ATOM 318 CA GLU A 24 -13.676 -2.544 -3.388 1.00 0.00 C ATOM 319 C GLU A 24 -12.933 -2.245 -4.687 1.00 0.00 C ATOM 320 O GLU A 24 -13.549 -1.998 -5.725 1.00 0.00 O ATOM 321 CB GLU A 24 -13.274 -3.925 -2.865 1.00 0.00 C ATOM 322 CG GLU A 24 -13.944 -4.297 -1.553 1.00 0.00 C ATOM 323 CD GLU A 24 -13.745 -3.248 -0.477 1.00 0.00 C ATOM 324 OE1 GLU A 24 -14.406 -2.191 -0.550 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.927 -3.483 0.437 1.00 0.00 O ATOM 0 H GLU A 24 -15.601 -3.371 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.402 -1.789 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.523 -4.675 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.193 -3.953 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.011 -4.440 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.546 -5.250 -1.204 1.00 0.00 H new ATOM 332 N LEU A 25 -11.607 -2.267 -4.622 1.00 0.00 N ATOM 333 CA LEU A 25 -10.778 -1.997 -5.792 1.00 0.00 C ATOM 334 C LEU A 25 -9.676 -3.042 -5.931 1.00 0.00 C ATOM 335 O LEU A 25 -9.033 -3.415 -4.949 1.00 0.00 O ATOM 336 CB LEU A 25 -10.163 -0.600 -5.695 1.00 0.00 C ATOM 337 CG LEU A 25 -10.992 0.541 -6.286 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.304 1.877 -6.054 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.230 0.312 -7.772 1.00 0.00 C ATOM 0 H LEU A 25 -11.082 -2.469 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.414 -2.046 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.976 -0.380 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.195 -0.616 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.958 0.562 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.909 2.677 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.186 2.044 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.324 1.869 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.822 1.133 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.273 0.264 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.767 -0.626 -7.914 1.00 0.00 H new ATOM 351 N ASP A 26 -9.462 -3.509 -7.156 1.00 0.00 N ATOM 352 CA ASP A 26 -8.434 -4.509 -7.424 1.00 0.00 C ATOM 353 C ASP A 26 -7.067 -3.852 -7.590 1.00 0.00 C ATOM 354 O ASP A 26 -6.862 -3.039 -8.492 1.00 0.00 O ATOM 355 CB ASP A 26 -8.785 -5.307 -8.681 1.00 0.00 C ATOM 356 CG ASP A 26 -9.314 -4.428 -9.797 1.00 0.00 C ATOM 357 OD1 ASP A 26 -10.499 -4.038 -9.735 1.00 0.00 O ATOM 358 OD2 ASP A 26 -8.542 -4.129 -10.732 1.00 0.00 O ATOM 0 H ASP A 26 -9.986 -3.212 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.391 -5.187 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.899 -5.838 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.531 -6.061 -8.432 1.00 0.00 H new ATOM 363 N LEU A 27 -6.135 -4.209 -6.713 1.00 0.00 N ATOM 364 CA LEU A 27 -4.787 -3.654 -6.761 1.00 0.00 C ATOM 365 C LEU A 27 -3.930 -4.392 -7.783 1.00 0.00 C ATOM 366 O LEU A 27 -4.373 -5.366 -8.392 1.00 0.00 O ATOM 367 CB LEU A 27 -4.133 -3.731 -5.380 1.00 0.00 C ATOM 368 CG LEU A 27 -4.859 -2.997 -4.252 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.204 -3.295 -2.912 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.879 -1.498 -4.516 1.00 0.00 C ATOM 0 H LEU A 27 -6.288 -4.880 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.862 -2.610 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.040 -4.781 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.122 -3.330 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.889 -3.353 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.734 -2.764 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.243 -4.367 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.164 -2.968 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.400 -0.992 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.856 -1.126 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.395 -1.301 -5.456 1.00 0.00 H new ATOM 382 N SER A 28 -2.699 -3.923 -7.966 1.00 0.00 N ATOM 383 CA SER A 28 -1.780 -4.538 -8.916 1.00 0.00 C ATOM 384 C SER A 28 -0.383 -3.938 -8.787 1.00 0.00 C ATOM 385 O SER A 28 -0.172 -2.763 -9.083 1.00 0.00 O ATOM 386 CB SER A 28 -2.295 -4.358 -10.345 1.00 0.00 C ATOM 387 OG SER A 28 -1.686 -5.285 -11.227 1.00 0.00 O ATOM 0 H SER A 28 -2.316 -3.119 -7.469 1.00 0.00 H new ATOM 0 HA SER A 28 -1.721 -5.603 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.377 -4.490 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.091 -3.342 -10.683 1.00 0.00 H new ATOM 0 HG SER A 28 -2.033 -5.151 -12.134 1.00 0.00 H new ATOM 393 N ALA A 29 0.566 -4.755 -8.342 1.00 0.00 N ATOM 394 CA ALA A 29 1.943 -4.306 -8.175 1.00 0.00 C ATOM 395 C ALA A 29 2.343 -3.337 -9.283 1.00 0.00 C ATOM 396 O ALA A 29 2.480 -3.726 -10.442 1.00 0.00 O ATOM 397 CB ALA A 29 2.887 -5.499 -8.149 1.00 0.00 C ATOM 0 H ALA A 29 0.407 -5.731 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 29 2.014 -3.779 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.912 -5.149 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.623 -6.154 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.803 -6.050 -9.086 1.00 0.00 H new ATOM 403 N GLY A 30 2.527 -2.072 -8.918 1.00 0.00 N ATOM 404 CA GLY A 30 2.909 -1.067 -9.892 1.00 0.00 C ATOM 405 C GLY A 30 1.937 0.096 -9.936 1.00 0.00 C ATOM 406 O GLY A 30 2.339 1.242 -10.141 1.00 0.00 O ATOM 0 H GLY A 30 2.418 -1.725 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.906 -0.695 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.967 -1.526 -10.879 1.00 0.00 H new ATOM 410 N ASP A 31 0.656 -0.198 -9.745 1.00 0.00 N ATOM 411 CA ASP A 31 -0.376 0.832 -9.764 1.00 0.00 C ATOM 412 C ASP A 31 -0.159 1.840 -8.639 1.00 0.00 C ATOM 413 O ASP A 31 -0.039 1.466 -7.472 1.00 0.00 O ATOM 414 CB ASP A 31 -1.762 0.198 -9.637 1.00 0.00 C ATOM 415 CG ASP A 31 -2.182 -0.533 -10.896 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.319 -1.191 -11.516 1.00 0.00 O ATOM 417 OD2 ASP A 31 -3.373 -0.450 -11.261 1.00 0.00 O ATOM 0 H ASP A 31 0.307 -1.141 -9.575 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.312 1.358 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.764 -0.498 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.493 0.973 -9.410 1.00 0.00 H new ATOM 422 N ILE A 32 -0.108 3.118 -8.999 1.00 0.00 N ATOM 423 CA ILE A 32 0.095 4.179 -8.020 1.00 0.00 C ATOM 424 C ILE A 32 -1.238 4.727 -7.519 1.00 0.00 C ATOM 425 O ILE A 32 -1.992 5.342 -8.273 1.00 0.00 O ATOM 426 CB ILE A 32 0.924 5.337 -8.608 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.270 4.820 -9.119 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.129 6.425 -7.565 1.00 0.00 C ATOM 429 CD1 ILE A 32 2.840 3.693 -8.286 1.00 0.00 C ATOM 0 H ILE A 32 -0.204 3.444 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 32 0.641 3.738 -7.186 1.00 0.00 H new ATOM 0 HB ILE A 32 0.378 5.766 -9.448 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.152 4.477 -10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.983 5.644 -9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.716 7.236 -7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.161 6.809 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.657 6.011 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.795 3.377 -8.706 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.990 4.037 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.146 2.852 -8.288 1.00 0.00 H new ATOM 441 N LEU A 33 -1.520 4.500 -6.241 1.00 0.00 N ATOM 442 CA LEU A 33 -2.761 4.972 -5.637 1.00 0.00 C ATOM 443 C LEU A 33 -2.476 5.906 -4.465 1.00 0.00 C ATOM 444 O LEU A 33 -1.372 5.914 -3.921 1.00 0.00 O ATOM 445 CB LEU A 33 -3.605 3.787 -5.165 1.00 0.00 C ATOM 446 CG LEU A 33 -3.931 2.732 -6.223 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.762 1.775 -6.401 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.193 1.971 -5.845 1.00 0.00 C ATOM 0 H LEU A 33 -0.907 3.992 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.316 5.527 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.082 3.299 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.542 4.171 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.106 3.239 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.012 1.031 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.880 2.332 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.554 1.274 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.410 1.224 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.046 1.476 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.029 2.667 -5.770 1.00 0.00 H new ATOM 460 N GLU A 34 -3.478 6.690 -4.081 1.00 0.00 N ATOM 461 CA GLU A 34 -3.334 7.626 -2.972 1.00 0.00 C ATOM 462 C GLU A 34 -4.198 7.203 -1.787 1.00 0.00 C ATOM 463 O GLU A 34 -5.415 7.062 -1.910 1.00 0.00 O ATOM 464 CB GLU A 34 -3.715 9.039 -3.416 1.00 0.00 C ATOM 465 CG GLU A 34 -3.154 10.131 -2.521 1.00 0.00 C ATOM 466 CD GLU A 34 -3.507 11.523 -3.007 1.00 0.00 C ATOM 467 OE1 GLU A 34 -4.695 11.899 -2.915 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.597 12.237 -3.478 1.00 0.00 O ATOM 0 H GLU A 34 -4.398 6.696 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.290 7.620 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.361 9.198 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.802 9.123 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.534 9.997 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.070 10.032 -2.470 1.00 0.00 H new ATOM 475 N VAL A 35 -3.559 7.001 -0.639 1.00 0.00 N ATOM 476 CA VAL A 35 -4.267 6.595 0.569 1.00 0.00 C ATOM 477 C VAL A 35 -4.975 7.781 1.216 1.00 0.00 C ATOM 478 O VAL A 35 -4.337 8.642 1.821 1.00 0.00 O ATOM 479 CB VAL A 35 -3.310 5.961 1.595 1.00 0.00 C ATOM 480 CG1 VAL A 35 -4.035 5.685 2.903 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.698 4.685 1.035 1.00 0.00 C ATOM 0 H VAL A 35 -2.552 7.112 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.007 5.854 0.268 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.503 6.666 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.342 5.237 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.420 6.620 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.863 5.000 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.024 4.250 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.490 3.973 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.141 4.917 0.127 1.00 0.00 H new ATOM 491 N ILE A 36 -6.297 7.817 1.084 1.00 0.00 N ATOM 492 CA ILE A 36 -7.091 8.896 1.658 1.00 0.00 C ATOM 493 C ILE A 36 -7.076 8.841 3.181 1.00 0.00 C ATOM 494 O ILE A 36 -6.946 9.867 3.850 1.00 0.00 O ATOM 495 CB ILE A 36 -8.550 8.842 1.168 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.603 8.932 -0.359 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.362 9.965 1.797 1.00 0.00 C ATOM 498 CD1 ILE A 36 -8.048 10.228 -0.907 1.00 0.00 C ATOM 0 H ILE A 36 -6.840 7.112 0.585 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.639 9.831 1.327 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.984 7.890 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.044 8.098 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.637 8.822 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.391 9.914 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.348 9.861 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.930 10.926 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.117 10.222 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.622 11.066 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.004 10.331 -0.611 1.00 0.00 H new ATOM 510 N LEU A 37 -7.208 7.636 3.725 1.00 0.00 N ATOM 511 CA LEU A 37 -7.207 7.444 5.171 1.00 0.00 C ATOM 512 C LEU A 37 -6.726 6.044 5.535 1.00 0.00 C ATOM 513 O LEU A 37 -6.814 5.118 4.729 1.00 0.00 O ATOM 514 CB LEU A 37 -8.609 7.677 5.737 1.00 0.00 C ATOM 515 CG LEU A 37 -8.682 8.050 7.218 1.00 0.00 C ATOM 516 CD1 LEU A 37 -8.405 9.533 7.410 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.041 7.680 7.795 1.00 0.00 C ATOM 0 H LEU A 37 -7.317 6.777 3.186 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.520 8.169 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.085 8.470 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.197 6.772 5.581 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.917 7.487 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.461 9.779 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.409 9.769 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.146 10.115 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.075 7.953 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.823 8.215 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.200 6.607 7.692 1.00 0.00 H new ATOM 529 N GLU A 38 -6.219 5.896 6.755 1.00 0.00 N ATOM 530 CA GLU A 38 -5.725 4.607 7.226 1.00 0.00 C ATOM 531 C GLU A 38 -6.771 3.906 8.089 1.00 0.00 C ATOM 532 O GLU A 38 -7.306 4.490 9.031 1.00 0.00 O ATOM 533 CB GLU A 38 -4.431 4.791 8.021 1.00 0.00 C ATOM 534 CG GLU A 38 -3.310 5.429 7.219 1.00 0.00 C ATOM 535 CD GLU A 38 -1.977 5.384 7.942 1.00 0.00 C ATOM 536 OE1 GLU A 38 -1.633 4.314 8.486 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.278 6.419 7.962 1.00 0.00 O ATOM 0 H GLU A 38 -6.140 6.652 7.435 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.521 3.984 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.637 5.407 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.098 3.820 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.217 4.918 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.567 6.466 7.003 1.00 0.00 H new ATOM 544 N GLY A 39 -7.056 2.650 7.760 1.00 0.00 N ATOM 545 CA GLY A 39 -8.036 1.890 8.514 1.00 0.00 C ATOM 546 C GLY A 39 -7.416 1.129 9.669 1.00 0.00 C ATOM 547 O GLY A 39 -6.257 0.722 9.601 1.00 0.00 O ATOM 0 H GLY A 39 -6.626 2.145 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.800 2.567 8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.538 1.188 7.848 1.00 0.00 H new ATOM 551 N GLU A 40 -8.190 0.940 10.734 1.00 0.00 N ATOM 552 CA GLU A 40 -7.708 0.226 11.910 1.00 0.00 C ATOM 553 C GLU A 40 -7.802 -1.284 11.706 1.00 0.00 C ATOM 554 O GLU A 40 -6.891 -2.028 12.068 1.00 0.00 O ATOM 555 CB GLU A 40 -8.509 0.636 13.147 1.00 0.00 C ATOM 556 CG GLU A 40 -7.862 0.219 14.457 1.00 0.00 C ATOM 557 CD GLU A 40 -8.836 0.232 15.619 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.526 -0.787 15.828 1.00 0.00 O ATOM 559 OE2 GLU A 40 -8.908 1.263 16.320 1.00 0.00 O ATOM 0 H GLU A 40 -9.152 1.271 10.806 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.661 0.490 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.638 1.718 13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.505 0.196 13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.444 -0.782 14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.031 0.889 14.677 1.00 0.00 H new ATOM 566 N ASP A 41 -8.911 -1.728 11.126 1.00 0.00 N ATOM 567 CA ASP A 41 -9.126 -3.148 10.873 1.00 0.00 C ATOM 568 C ASP A 41 -8.197 -3.651 9.773 1.00 0.00 C ATOM 569 O ASP A 41 -7.619 -4.732 9.881 1.00 0.00 O ATOM 570 CB ASP A 41 -10.583 -3.404 10.484 1.00 0.00 C ATOM 571 CG ASP A 41 -11.520 -3.342 11.674 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.627 -2.261 12.290 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.147 -4.375 11.989 1.00 0.00 O ATOM 0 H ASP A 41 -9.676 -1.125 10.822 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.902 -3.693 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.893 -2.667 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.663 -4.384 10.013 1.00 0.00 H new ATOM 578 N GLY A 42 -8.058 -2.859 8.714 1.00 0.00 N ATOM 579 CA GLY A 42 -7.199 -3.241 7.609 1.00 0.00 C ATOM 580 C GLY A 42 -7.652 -2.648 6.290 1.00 0.00 C ATOM 581 O GLY A 42 -6.850 -2.474 5.372 1.00 0.00 O ATOM 0 H GLY A 42 -8.525 -1.959 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.179 -2.918 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.179 -4.328 7.527 1.00 0.00 H new ATOM 585 N TRP A 43 -8.940 -2.338 6.194 1.00 0.00 N ATOM 586 CA TRP A 43 -9.498 -1.763 4.976 1.00 0.00 C ATOM 587 C TRP A 43 -9.064 -0.311 4.811 1.00 0.00 C ATOM 588 O TRP A 43 -9.605 0.586 5.459 1.00 0.00 O ATOM 589 CB TRP A 43 -11.025 -1.852 4.999 1.00 0.00 C ATOM 590 CG TRP A 43 -11.542 -3.247 4.820 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.279 -3.969 5.715 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.357 -4.089 3.677 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.565 -5.209 5.196 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.011 -5.308 3.947 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.705 -3.932 2.451 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.029 -6.360 3.036 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.724 -4.978 1.548 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.382 -6.179 1.844 1.00 0.00 C ATOM 0 H TRP A 43 -9.617 -2.475 6.945 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.120 -2.334 4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.391 -1.456 5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.431 -1.218 4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.591 -3.617 6.687 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.103 -5.938 5.665 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.195 -3.010 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.536 -7.287 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.223 -4.868 0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.378 -6.978 1.117 1.00 0.00 H new ATOM 609 N TRP A 44 -8.086 -0.085 3.941 1.00 0.00 N ATOM 610 CA TRP A 44 -7.580 1.260 3.692 1.00 0.00 C ATOM 611 C TRP A 44 -8.334 1.921 2.544 1.00 0.00 C ATOM 612 O TRP A 44 -8.719 1.261 1.578 1.00 0.00 O ATOM 613 CB TRP A 44 -6.084 1.213 3.376 1.00 0.00 C ATOM 614 CG TRP A 44 -5.225 1.051 4.594 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.492 0.280 5.689 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.961 1.677 4.840 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.470 0.389 6.601 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.518 1.239 6.104 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.159 2.562 4.115 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.311 1.659 6.656 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.961 2.978 4.665 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.546 2.526 5.924 1.00 0.00 C ATOM 0 H TRP A 44 -7.628 -0.816 3.396 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.736 1.853 4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.890 0.388 2.691 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.800 2.130 2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.376 -0.326 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.427 -0.086 7.502 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.469 2.915 3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.990 1.313 7.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.334 3.664 4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.604 2.868 6.325 1.00 0.00 H new ATOM 633 N THR A 45 -8.543 3.229 2.654 1.00 0.00 N ATOM 634 CA THR A 45 -9.252 3.980 1.625 1.00 0.00 C ATOM 635 C THR A 45 -8.279 4.599 0.628 1.00 0.00 C ATOM 636 O THR A 45 -7.531 5.517 0.963 1.00 0.00 O ATOM 637 CB THR A 45 -10.118 5.095 2.240 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.988 4.547 3.237 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.943 5.792 1.169 1.00 0.00 C ATOM 0 H THR A 45 -8.231 3.791 3.446 1.00 0.00 H new ATOM 0 HA THR A 45 -9.899 3.273 1.106 1.00 0.00 H new ATOM 0 HB THR A 45 -9.455 5.827 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.450 3.764 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.547 6.576 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.278 6.234 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.597 5.067 0.684 1.00 0.00 H new ATOM 647 N VAL A 46 -8.296 4.091 -0.601 1.00 0.00 N ATOM 648 CA VAL A 46 -7.416 4.596 -1.648 1.00 0.00 C ATOM 649 C VAL A 46 -8.215 5.053 -2.863 1.00 0.00 C ATOM 650 O VAL A 46 -9.327 4.582 -3.100 1.00 0.00 O ATOM 651 CB VAL A 46 -6.398 3.528 -2.089 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.532 3.099 -0.915 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.112 2.332 -2.701 1.00 0.00 C ATOM 0 H VAL A 46 -8.909 3.331 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.879 5.447 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.748 3.962 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.819 2.344 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.992 3.963 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.163 2.683 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.377 1.587 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.787 1.895 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.684 2.656 -3.570 1.00 0.00 H new ATOM 663 N GLU A 47 -7.640 5.974 -3.631 1.00 0.00 N ATOM 664 CA GLU A 47 -8.300 6.495 -4.822 1.00 0.00 C ATOM 665 C GLU A 47 -7.491 6.175 -6.076 1.00 0.00 C ATOM 666 O GLU A 47 -6.277 6.378 -6.113 1.00 0.00 O ATOM 667 CB GLU A 47 -8.498 8.007 -4.702 1.00 0.00 C ATOM 668 CG GLU A 47 -9.675 8.533 -5.507 1.00 0.00 C ATOM 669 CD GLU A 47 -10.281 9.785 -4.904 1.00 0.00 C ATOM 670 OE1 GLU A 47 -10.480 9.812 -3.672 1.00 0.00 O ATOM 671 OE2 GLU A 47 -10.557 10.736 -5.664 1.00 0.00 O ATOM 0 H GLU A 47 -6.719 6.374 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.274 6.014 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.643 8.264 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.589 8.511 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.348 8.746 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.440 7.759 -5.573 1.00 0.00 H new ATOM 678 N ARG A 48 -8.172 5.672 -7.101 1.00 0.00 N ATOM 679 CA ARG A 48 -7.518 5.322 -8.355 1.00 0.00 C ATOM 680 C ARG A 48 -8.222 5.980 -9.538 1.00 0.00 C ATOM 681 O ARG A 48 -9.253 5.499 -10.005 1.00 0.00 O ATOM 682 CB ARG A 48 -7.500 3.803 -8.540 1.00 0.00 C ATOM 683 CG ARG A 48 -6.660 3.343 -9.719 1.00 0.00 C ATOM 684 CD ARG A 48 -6.323 1.863 -9.620 1.00 0.00 C ATOM 685 NE ARG A 48 -6.149 1.252 -10.935 1.00 0.00 N ATOM 686 CZ ARG A 48 -5.990 -0.054 -11.123 1.00 0.00 C ATOM 687 NH1 ARG A 48 -5.984 -0.880 -10.086 1.00 0.00 N ATOM 688 NH2 ARG A 48 -5.838 -0.535 -12.350 1.00 0.00 N ATOM 0 H ARG A 48 -9.177 5.498 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.492 5.689 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.119 3.339 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.522 3.450 -8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.199 3.533 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.739 3.925 -9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.410 1.737 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.117 1.346 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.150 1.861 -11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.102 -0.514 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.862 -1.882 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.843 0.098 -13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.716 -1.537 -12.493 1.00 0.00 H new ATOM 702 N ASN A 49 -7.657 7.084 -10.017 1.00 0.00 N ATOM 703 CA ASN A 49 -8.232 7.809 -11.144 1.00 0.00 C ATOM 704 C ASN A 49 -9.600 8.380 -10.784 1.00 0.00 C ATOM 705 O ASN A 49 -10.506 8.422 -11.615 1.00 0.00 O ATOM 706 CB ASN A 49 -8.355 6.889 -12.360 1.00 0.00 C ATOM 707 CG ASN A 49 -8.831 7.626 -13.597 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.311 8.688 -13.939 1.00 0.00 O ATOM 709 ND2 ASN A 49 -9.824 7.063 -14.275 1.00 0.00 N ATOM 0 H ASN A 49 -6.802 7.496 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.566 8.637 -11.388 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.388 6.430 -12.564 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.050 6.081 -12.132 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.186 7.512 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.225 6.182 -13.955 1.00 0.00 H new ATOM 716 N GLY A 50 -9.742 8.821 -9.537 1.00 0.00 N ATOM 717 CA GLY A 50 -11.002 9.384 -9.088 1.00 0.00 C ATOM 718 C GLY A 50 -11.886 8.357 -8.409 1.00 0.00 C ATOM 719 O GLY A 50 -12.743 8.707 -7.598 1.00 0.00 O ATOM 0 H GLY A 50 -9.007 8.798 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.805 10.203 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.532 9.808 -9.941 1.00 0.00 H new ATOM 723 N GLN A 51 -11.680 7.087 -8.743 1.00 0.00 N ATOM 724 CA GLN A 51 -12.468 6.008 -8.161 1.00 0.00 C ATOM 725 C GLN A 51 -12.076 5.770 -6.706 1.00 0.00 C ATOM 726 O GLN A 51 -10.893 5.685 -6.378 1.00 0.00 O ATOM 727 CB GLN A 51 -12.283 4.721 -8.967 1.00 0.00 C ATOM 728 CG GLN A 51 -12.854 4.798 -10.374 1.00 0.00 C ATOM 729 CD GLN A 51 -14.365 4.677 -10.399 1.00 0.00 C ATOM 730 OE1 GLN A 51 -14.909 3.602 -10.650 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.052 5.783 -10.137 1.00 0.00 N ATOM 0 H GLN A 51 -10.975 6.781 -9.413 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.517 6.301 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.220 4.489 -9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.759 3.897 -8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.562 5.744 -10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.420 4.004 -10.982 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.560 6.653 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.072 5.762 -10.139 1.00 0.00 H new ATOM 740 N ARG A 52 -13.077 5.666 -5.838 1.00 0.00 N ATOM 741 CA ARG A 52 -12.836 5.440 -4.418 1.00 0.00 C ATOM 742 C ARG A 52 -13.180 4.005 -4.030 1.00 0.00 C ATOM 743 O ARG A 52 -14.293 3.537 -4.266 1.00 0.00 O ATOM 744 CB ARG A 52 -13.660 6.419 -3.578 1.00 0.00 C ATOM 745 CG ARG A 52 -13.034 6.741 -2.231 1.00 0.00 C ATOM 746 CD ARG A 52 -13.911 7.682 -1.420 1.00 0.00 C ATOM 747 NE ARG A 52 -15.132 7.029 -0.957 1.00 0.00 N ATOM 748 CZ ARG A 52 -16.145 7.679 -0.395 1.00 0.00 C ATOM 749 NH1 ARG A 52 -16.084 8.993 -0.228 1.00 0.00 N ATOM 750 NH2 ARG A 52 -17.224 7.015 0.001 1.00 0.00 N ATOM 0 H ARG A 52 -14.062 5.735 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.777 5.606 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.792 7.344 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.653 6.000 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.875 5.818 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.055 7.195 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.350 8.051 -0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.171 8.549 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.212 6.019 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.257 9.508 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.864 9.489 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.276 6.004 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.001 7.515 0.432 1.00 0.00 H new ATOM 764 N GLY A 53 -12.215 3.312 -3.432 1.00 0.00 N ATOM 765 CA GLY A 53 -12.435 1.938 -3.021 1.00 0.00 C ATOM 766 C GLY A 53 -11.697 1.590 -1.744 1.00 0.00 C ATOM 767 O GLY A 53 -11.004 2.430 -1.170 1.00 0.00 O ATOM 0 H GLY A 53 -11.286 3.678 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.503 1.772 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.113 1.268 -3.818 1.00 0.00 H new ATOM 771 N PHE A 54 -11.847 0.348 -1.295 1.00 0.00 N ATOM 772 CA PHE A 54 -11.191 -0.109 -0.076 1.00 0.00 C ATOM 773 C PHE A 54 -10.341 -1.347 -0.346 1.00 0.00 C ATOM 774 O PHE A 54 -10.813 -2.323 -0.930 1.00 0.00 O ATOM 775 CB PHE A 54 -12.231 -0.417 1.004 1.00 0.00 C ATOM 776 CG PHE A 54 -13.165 0.727 1.280 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.673 1.957 1.688 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.534 0.573 1.130 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.530 3.011 1.943 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.395 1.624 1.384 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.892 2.845 1.790 1.00 0.00 C ATOM 0 H PHE A 54 -12.417 -0.360 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.537 0.689 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.814 -1.286 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.717 -0.686 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.608 2.093 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.933 -0.379 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.134 3.964 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.460 1.491 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.563 3.668 1.987 1.00 0.00 H new ATOM 791 N VAL A 55 -9.084 -1.300 0.083 1.00 0.00 N ATOM 792 CA VAL A 55 -8.167 -2.417 -0.112 1.00 0.00 C ATOM 793 C VAL A 55 -7.308 -2.645 1.127 1.00 0.00 C ATOM 794 O VAL A 55 -7.015 -1.723 1.888 1.00 0.00 O ATOM 795 CB VAL A 55 -7.247 -2.183 -1.325 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.070 -1.980 -2.588 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.332 -0.993 -1.078 1.00 0.00 C ATOM 0 H VAL A 55 -8.677 -0.500 0.568 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.779 -3.301 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.625 -3.068 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.403 -1.816 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.679 -2.865 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.719 -1.113 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.689 -0.842 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.934 -0.099 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.717 -1.184 -0.199 1.00 0.00 H new ATOM 807 N PRO A 56 -6.894 -3.904 1.335 1.00 0.00 N ATOM 808 CA PRO A 56 -6.062 -4.284 2.481 1.00 0.00 C ATOM 809 C PRO A 56 -4.645 -3.730 2.376 1.00 0.00 C ATOM 810 O PRO A 56 -4.000 -3.841 1.334 1.00 0.00 O ATOM 811 CB PRO A 56 -6.045 -5.813 2.416 1.00 0.00 C ATOM 812 CG PRO A 56 -6.295 -6.134 0.982 1.00 0.00 C ATOM 813 CD PRO A 56 -7.206 -5.053 0.469 1.00 0.00 C ATOM 0 HA PRO A 56 -6.453 -3.889 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.088 -6.213 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.812 -6.245 3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.362 -6.158 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.756 -7.116 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.013 -4.829 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.254 -5.341 0.546 1.00 0.00 H new ATOM 821 N GLY A 57 -4.165 -3.134 3.463 1.00 0.00 N ATOM 822 CA GLY A 57 -2.827 -2.573 3.472 1.00 0.00 C ATOM 823 C GLY A 57 -1.769 -3.590 3.094 1.00 0.00 C ATOM 824 O GLY A 57 -0.792 -3.259 2.421 1.00 0.00 O ATOM 0 H GLY A 57 -4.679 -3.030 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.784 -1.733 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.609 -2.178 4.464 1.00 0.00 H new ATOM 828 N SER A 58 -1.961 -4.831 3.528 1.00 0.00 N ATOM 829 CA SER A 58 -1.013 -5.899 3.235 1.00 0.00 C ATOM 830 C SER A 58 -0.580 -5.855 1.772 1.00 0.00 C ATOM 831 O SER A 58 0.565 -6.168 1.443 1.00 0.00 O ATOM 832 CB SER A 58 -1.632 -7.262 3.554 1.00 0.00 C ATOM 833 OG SER A 58 -2.103 -7.307 4.890 1.00 0.00 O ATOM 0 H SER A 58 -2.765 -5.122 4.084 1.00 0.00 H new ATOM 0 HA SER A 58 -0.133 -5.752 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.455 -7.461 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.891 -8.047 3.399 1.00 0.00 H new ATOM 0 HG SER A 58 -2.495 -8.187 5.069 1.00 0.00 H new ATOM 839 N TYR A 59 -1.502 -5.464 0.900 1.00 0.00 N ATOM 840 CA TYR A 59 -1.218 -5.381 -0.527 1.00 0.00 C ATOM 841 C TYR A 59 -0.846 -3.956 -0.926 1.00 0.00 C ATOM 842 O TYR A 59 -1.152 -3.508 -2.032 1.00 0.00 O ATOM 843 CB TYR A 59 -2.427 -5.850 -1.338 1.00 0.00 C ATOM 844 CG TYR A 59 -2.743 -7.318 -1.160 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.174 -7.813 0.065 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.610 -8.210 -2.217 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.463 -9.154 0.232 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.898 -9.552 -2.059 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.323 -10.019 -0.833 1.00 0.00 C ATOM 850 OH TYR A 59 -3.611 -11.355 -0.671 1.00 0.00 O ATOM 0 H TYR A 59 -2.453 -5.199 1.157 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.371 -6.033 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.298 -5.262 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.245 -5.652 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.285 -7.138 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.276 -7.848 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.797 -9.522 1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.791 -10.232 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.462 -11.827 -1.517 1.00 0.00 H new ATOM 860 N LEU A 60 -0.183 -3.249 -0.019 1.00 0.00 N ATOM 861 CA LEU A 60 0.233 -1.874 -0.274 1.00 0.00 C ATOM 862 C LEU A 60 1.641 -1.623 0.258 1.00 0.00 C ATOM 863 O LEU A 60 2.113 -2.331 1.147 1.00 0.00 O ATOM 864 CB LEU A 60 -0.750 -0.895 0.369 1.00 0.00 C ATOM 865 CG LEU A 60 -2.144 -0.836 -0.255 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.082 -0.009 0.610 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.074 -0.267 -1.665 1.00 0.00 C ATOM 0 H LEU A 60 0.079 -3.605 0.900 1.00 0.00 H new ATOM 0 HA LEU A 60 0.239 -1.717 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.856 -1.157 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.314 0.103 0.331 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.538 -1.851 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.069 0.022 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.157 -0.460 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.693 1.005 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.076 -0.232 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.659 0.740 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.437 -0.901 -2.282 1.00 0.00 H new ATOM 879 N GLU A 61 2.303 -0.610 -0.290 1.00 0.00 N ATOM 880 CA GLU A 61 3.656 -0.265 0.131 1.00 0.00 C ATOM 881 C GLU A 61 3.818 1.247 0.255 1.00 0.00 C ATOM 882 O GLU A 61 3.685 1.980 -0.725 1.00 0.00 O ATOM 883 CB GLU A 61 4.680 -0.819 -0.861 1.00 0.00 C ATOM 884 CG GLU A 61 6.119 -0.497 -0.495 1.00 0.00 C ATOM 885 CD GLU A 61 6.557 -1.166 0.793 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.001 -2.232 1.128 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.457 -0.622 1.467 1.00 0.00 O ATOM 0 H GLU A 61 1.925 -0.014 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 61 3.830 -0.713 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.564 -1.901 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.468 -0.417 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.776 -0.813 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.232 0.583 -0.396 1.00 0.00 H new ATOM 894 N LYS A 62 4.108 1.708 1.468 1.00 0.00 N ATOM 895 CA LYS A 62 4.290 3.132 1.722 1.00 0.00 C ATOM 896 C LYS A 62 5.689 3.583 1.317 1.00 0.00 C ATOM 897 O LYS A 62 6.641 3.455 2.088 1.00 0.00 O ATOM 898 CB LYS A 62 4.051 3.441 3.202 1.00 0.00 C ATOM 899 CG LYS A 62 4.155 4.918 3.539 1.00 0.00 C ATOM 900 CD LYS A 62 4.351 5.137 5.030 1.00 0.00 C ATOM 901 CE LYS A 62 3.038 5.019 5.789 1.00 0.00 C ATOM 902 NZ LYS A 62 3.256 4.833 7.250 1.00 0.00 N ATOM 0 H LYS A 62 4.222 1.115 2.290 1.00 0.00 H new ATOM 0 HA LYS A 62 3.564 3.679 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.062 3.081 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.774 2.888 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.989 5.359 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.251 5.432 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.062 4.406 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.783 6.123 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.441 5.915 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.467 4.178 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.337 4.757 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.804 3.964 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.779 5.648 7.629 1.00 0.00 H new ATOM 916 N LEU A 63 5.807 4.111 0.104 1.00 0.00 N ATOM 917 CA LEU A 63 7.092 4.583 -0.403 1.00 0.00 C ATOM 918 C LEU A 63 7.732 5.569 0.569 1.00 0.00 C ATOM 919 O LEU A 63 7.237 6.681 0.757 1.00 0.00 O ATOM 920 CB LEU A 63 6.911 5.243 -1.771 1.00 0.00 C ATOM 921 CG LEU A 63 6.319 4.359 -2.869 1.00 0.00 C ATOM 922 CD1 LEU A 63 4.804 4.304 -2.753 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.732 4.867 -4.243 1.00 0.00 C ATOM 0 H LEU A 63 5.030 4.223 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 63 7.753 3.722 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.269 6.116 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.882 5.606 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 63 6.709 3.349 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.401 3.670 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.528 3.893 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.395 5.310 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.302 4.226 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.372 5.887 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.819 4.852 -4.325 1.00 0.00 H new