USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0671 K(o=-0.067,f=-2!) USER MOD Single : A 18 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.8!) USER MOD Single : A 19 GLN : amide:sc= -0.0091 K(o=-0.0091,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -16:sc= 0.335 USER MOD Single : A 21 ASN : amide:sc= -0.398 K(o=-0.4,f=-7.1!) USER MOD Single : A 26 SER OG : rot 43:sc= 0.122 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0412 (180deg=-0.379) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0385 F(o=-0.61,f=-0.038) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -103:sc= 0.983 USER MOD Single : A 58 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.494 -4.553 -0.875 1.00 0.00 N ATOM 117 CA LEU A 9 -11.163 -3.247 -0.318 1.00 0.00 C ATOM 118 C LEU A 9 -10.364 -2.424 -1.327 1.00 0.00 C ATOM 119 O LEU A 9 -9.328 -2.867 -1.820 1.00 0.00 O ATOM 120 CB LEU A 9 -10.367 -3.417 0.981 1.00 0.00 C ATOM 121 CG LEU A 9 -10.292 -2.178 1.880 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.914 -2.576 3.298 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.290 -1.170 1.333 1.00 0.00 C ATOM 0 HA LEU A 9 -12.089 -2.716 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.810 -4.232 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.352 -3.721 0.726 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.276 -1.710 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.865 -1.686 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.664 -3.259 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.942 -3.069 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.255 -0.300 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.302 -1.628 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.595 -0.860 0.334 1.00 0.00 H new ATOM 135 N VAL A 10 -10.851 -1.223 -1.625 1.00 0.00 N ATOM 136 CA VAL A 10 -10.184 -0.343 -2.576 1.00 0.00 C ATOM 137 C VAL A 10 -9.446 0.780 -1.854 1.00 0.00 C ATOM 138 O VAL A 10 -10.002 1.433 -0.970 1.00 0.00 O ATOM 139 CB VAL A 10 -11.186 0.270 -3.574 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.461 1.091 -4.630 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.026 -0.821 -4.222 1.00 0.00 C ATOM 0 H VAL A 10 -11.705 -0.838 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.467 -0.952 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.852 0.937 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.187 1.514 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.908 1.897 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.768 0.451 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.728 -0.371 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.374 -1.514 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.578 -1.361 -3.452 1.00 0.00 H new ATOM 151 N VAL A 11 -8.192 1.000 -2.238 1.00 0.00 N ATOM 152 CA VAL A 11 -7.375 2.039 -1.624 1.00 0.00 C ATOM 153 C VAL A 11 -6.868 3.025 -2.674 1.00 0.00 C ATOM 154 O VAL A 11 -6.836 2.713 -3.865 1.00 0.00 O ATOM 155 CB VAL A 11 -6.177 1.427 -0.867 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.062 1.036 -1.827 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.666 2.388 0.194 1.00 0.00 C ATOM 0 H VAL A 11 -7.720 0.472 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.005 2.573 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.521 0.520 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.232 0.608 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.436 0.300 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.719 1.920 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.822 1.938 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.347 3.316 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.463 2.600 0.907 1.00 0.00 H new ATOM 167 N ARG A 12 -6.475 4.215 -2.228 1.00 0.00 N ATOM 168 CA ARG A 12 -5.972 5.243 -3.135 1.00 0.00 C ATOM 169 C ARG A 12 -4.676 5.852 -2.612 1.00 0.00 C ATOM 170 O ARG A 12 -4.555 6.160 -1.426 1.00 0.00 O ATOM 171 CB ARG A 12 -7.021 6.338 -3.332 1.00 0.00 C ATOM 172 CG ARG A 12 -6.583 7.438 -4.287 1.00 0.00 C ATOM 173 CD ARG A 12 -7.682 8.469 -4.490 1.00 0.00 C ATOM 174 NE ARG A 12 -8.127 9.049 -3.226 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.063 9.990 -3.135 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.653 10.456 -4.227 1.00 0.00 N ATOM 177 NH2 ARG A 12 -9.410 10.464 -1.946 1.00 0.00 N ATOM 0 H ARG A 12 -6.495 4.491 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.765 4.770 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.939 5.886 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.257 6.781 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.691 7.927 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.311 7.001 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.320 9.261 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.529 8.002 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.696 8.714 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.390 10.093 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.370 11.177 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.959 10.107 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.127 11.186 -1.874 1.00 0.00 H new ATOM 191 N ALA A 13 -3.710 6.020 -3.509 1.00 0.00 N ATOM 192 CA ALA A 13 -2.418 6.592 -3.151 1.00 0.00 C ATOM 193 C ALA A 13 -2.561 8.019 -2.629 1.00 0.00 C ATOM 194 O ALA A 13 -3.267 8.839 -3.216 1.00 0.00 O ATOM 195 CB ALA A 13 -1.482 6.564 -4.349 1.00 0.00 C ATOM 0 H ALA A 13 -3.799 5.767 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.996 5.985 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.520 6.994 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.338 5.534 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.916 7.144 -5.163 1.00 0.00 H new ATOM 201 N LYS A 14 -1.885 8.306 -1.519 1.00 0.00 N ATOM 202 CA LYS A 14 -1.925 9.635 -0.920 1.00 0.00 C ATOM 203 C LYS A 14 -0.718 10.457 -1.363 1.00 0.00 C ATOM 204 O LYS A 14 -0.858 11.444 -2.086 1.00 0.00 O ATOM 205 CB LYS A 14 -1.960 9.533 0.607 1.00 0.00 C ATOM 206 CG LYS A 14 -3.149 8.744 1.135 1.00 0.00 C ATOM 207 CD LYS A 14 -3.166 8.706 2.655 1.00 0.00 C ATOM 208 CE LYS A 14 -3.463 10.075 3.250 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.581 10.020 4.734 1.00 0.00 N ATOM 0 H LYS A 14 -1.303 7.635 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.832 10.136 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.039 9.063 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.984 10.537 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.074 9.192 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.113 7.727 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.917 7.992 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.202 8.352 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.671 10.771 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.389 10.462 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.783 10.972 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.354 9.375 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.688 9.674 5.141 1.00 0.00 H new ATOM 223 N PHE A 15 0.467 10.042 -0.923 1.00 0.00 N ATOM 224 CA PHE A 15 1.703 10.733 -1.279 1.00 0.00 C ATOM 225 C PHE A 15 2.454 9.964 -2.361 1.00 0.00 C ATOM 226 O PHE A 15 2.146 8.804 -2.636 1.00 0.00 O ATOM 227 CB PHE A 15 2.597 10.899 -0.047 1.00 0.00 C ATOM 228 CG PHE A 15 1.861 11.365 1.178 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.135 12.545 1.161 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.894 10.619 2.347 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.455 12.974 2.286 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.216 11.042 3.475 1.00 0.00 C ATOM 233 CZ PHE A 15 0.496 12.221 3.444 1.00 0.00 C ATOM 0 H PHE A 15 0.597 9.230 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 15 1.442 11.719 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.080 9.946 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.388 11.612 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.100 13.137 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.456 9.697 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.107 13.896 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.249 10.452 4.379 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.034 12.554 4.324 1.00 0.00 H new ATOM 243 N ASN A 16 3.439 10.613 -2.974 1.00 0.00 N ATOM 244 CA ASN A 16 4.235 9.979 -4.019 1.00 0.00 C ATOM 245 C ASN A 16 5.224 8.991 -3.413 1.00 0.00 C ATOM 246 O ASN A 16 5.845 9.273 -2.387 1.00 0.00 O ATOM 247 CB ASN A 16 4.984 11.031 -4.840 1.00 0.00 C ATOM 248 CG ASN A 16 4.057 11.850 -5.718 1.00 0.00 C ATOM 249 OD1 ASN A 16 2.891 12.057 -5.385 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.574 12.319 -6.848 1.00 0.00 N ATOM 0 H ASN A 16 3.705 11.576 -2.766 1.00 0.00 H new ATOM 0 HA ASN A 16 3.557 9.438 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.523 11.697 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.729 10.537 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.998 12.876 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.547 12.122 -7.084 1.00 0.00 H new ATOM 257 N PHE A 17 5.369 7.835 -4.051 1.00 0.00 N ATOM 258 CA PHE A 17 6.281 6.807 -3.565 1.00 0.00 C ATOM 259 C PHE A 17 6.948 6.079 -4.726 1.00 0.00 C ATOM 260 O PHE A 17 6.298 5.739 -5.714 1.00 0.00 O ATOM 261 CB PHE A 17 5.527 5.808 -2.683 1.00 0.00 C ATOM 262 CG PHE A 17 6.422 4.926 -1.861 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.939 3.753 -2.388 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.745 5.271 -0.559 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.759 2.940 -1.629 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.565 4.461 0.204 1.00 0.00 C ATOM 267 CZ PHE A 17 8.072 3.294 -0.332 1.00 0.00 C ATOM 0 H PHE A 17 4.868 7.587 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 17 7.057 7.292 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.862 6.357 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.898 5.182 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.698 3.471 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.352 6.183 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.155 2.028 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.809 4.741 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.712 2.659 0.262 1.00 0.00 H new ATOM 277 N GLN A 18 8.249 5.843 -4.597 1.00 0.00 N ATOM 278 CA GLN A 18 9.010 5.154 -5.633 1.00 0.00 C ATOM 279 C GLN A 18 9.476 3.788 -5.143 1.00 0.00 C ATOM 280 O GLN A 18 9.772 3.608 -3.961 1.00 0.00 O ATOM 281 CB GLN A 18 10.216 5.998 -6.061 1.00 0.00 C ATOM 282 CG GLN A 18 11.255 6.191 -4.965 1.00 0.00 C ATOM 283 CD GLN A 18 10.764 7.082 -3.840 1.00 0.00 C ATOM 284 OE1 GLN A 18 9.954 7.984 -4.054 1.00 0.00 O ATOM 285 NE2 GLN A 18 11.253 6.832 -2.630 1.00 0.00 N ATOM 0 H GLN A 18 8.799 6.119 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 18 8.357 5.009 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.692 5.524 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.864 6.976 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.532 5.219 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.157 6.624 -5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.923 6.074 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.959 7.398 -1.834 1.00 0.00 H new ATOM 294 N GLN A 19 9.539 2.827 -6.059 1.00 0.00 N ATOM 295 CA GLN A 19 9.968 1.476 -5.720 1.00 0.00 C ATOM 296 C GLN A 19 11.444 1.275 -6.043 1.00 0.00 C ATOM 297 O GLN A 19 12.129 2.202 -6.476 1.00 0.00 O ATOM 298 CB GLN A 19 9.124 0.449 -6.476 1.00 0.00 C ATOM 299 CG GLN A 19 9.213 0.582 -7.989 1.00 0.00 C ATOM 300 CD GLN A 19 8.335 -0.418 -8.715 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.296 -0.837 -8.202 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.748 -0.805 -9.915 1.00 0.00 N ATOM 0 H GLN A 19 9.298 2.959 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 19 9.829 1.335 -4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.443 -0.553 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.083 0.552 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.923 1.592 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.248 0.445 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.615 -0.432 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.198 -1.476 -10.452 1.00 0.00 H new ATOM 311 N THR A 20 11.927 0.055 -5.828 1.00 0.00 N ATOM 312 CA THR A 20 13.321 -0.278 -6.098 1.00 0.00 C ATOM 313 C THR A 20 13.426 -1.616 -6.821 1.00 0.00 C ATOM 314 O THR A 20 14.474 -1.959 -7.366 1.00 0.00 O ATOM 315 CB THR A 20 14.148 -0.337 -4.800 1.00 0.00 C ATOM 316 OG1 THR A 20 15.483 -0.771 -5.086 1.00 0.00 O ATOM 317 CG2 THR A 20 13.508 -1.278 -3.791 1.00 0.00 C ATOM 0 H THR A 20 11.372 -0.721 -5.467 1.00 0.00 H new ATOM 0 HA THR A 20 13.723 0.511 -6.733 1.00 0.00 H new ATOM 0 HB THR A 20 14.177 0.664 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.513 -1.170 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.111 -1.302 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.505 -0.926 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.449 -2.281 -4.215 1.00 0.00 H new ATOM 325 N ASN A 21 12.327 -2.364 -6.821 1.00 0.00 N ATOM 326 CA ASN A 21 12.282 -3.665 -7.478 1.00 0.00 C ATOM 327 C ASN A 21 10.861 -3.986 -7.933 1.00 0.00 C ATOM 328 O ASN A 21 9.902 -3.348 -7.497 1.00 0.00 O ATOM 329 CB ASN A 21 12.790 -4.758 -6.534 1.00 0.00 C ATOM 330 CG ASN A 21 12.996 -6.083 -7.242 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.086 -6.908 -7.321 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.201 -6.295 -7.761 1.00 0.00 N ATOM 0 H ASN A 21 11.453 -2.090 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 21 12.929 -3.628 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.731 -4.439 -6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.078 -4.891 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.400 -7.169 -8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.927 -5.584 -7.673 1.00 0.00 H new ATOM 339 N GLU A 22 10.732 -4.974 -8.813 1.00 0.00 N ATOM 340 CA GLU A 22 9.426 -5.373 -9.328 1.00 0.00 C ATOM 341 C GLU A 22 8.627 -6.127 -8.270 1.00 0.00 C ATOM 342 O GLU A 22 7.445 -6.414 -8.459 1.00 0.00 O ATOM 343 CB GLU A 22 9.592 -6.243 -10.575 1.00 0.00 C ATOM 344 CG GLU A 22 10.395 -5.575 -11.678 1.00 0.00 C ATOM 345 CD GLU A 22 10.475 -6.417 -12.936 1.00 0.00 C ATOM 346 OE1 GLU A 22 11.255 -7.391 -12.950 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.757 -6.102 -13.909 1.00 0.00 O ATOM 0 H GLU A 22 11.515 -5.513 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 22 8.877 -4.469 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.081 -7.176 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.606 -6.503 -10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.944 -4.612 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.403 -5.373 -11.316 1.00 0.00 H new ATOM 354 N ASP A 23 9.280 -6.444 -7.157 1.00 0.00 N ATOM 355 CA ASP A 23 8.630 -7.164 -6.067 1.00 0.00 C ATOM 356 C ASP A 23 7.742 -6.228 -5.256 1.00 0.00 C ATOM 357 O ASP A 23 6.755 -6.657 -4.658 1.00 0.00 O ATOM 358 CB ASP A 23 9.678 -7.808 -5.159 1.00 0.00 C ATOM 359 CG ASP A 23 9.053 -8.605 -4.029 1.00 0.00 C ATOM 360 OD1 ASP A 23 8.696 -9.780 -4.258 1.00 0.00 O ATOM 361 OD2 ASP A 23 8.926 -8.055 -2.915 1.00 0.00 O ATOM 0 H ASP A 23 10.259 -6.214 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 23 8.005 -7.946 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.316 -8.463 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.319 -7.032 -4.741 1.00 0.00 H new ATOM 366 N GLU A 24 8.100 -4.948 -5.242 1.00 0.00 N ATOM 367 CA GLU A 24 7.336 -3.948 -4.505 1.00 0.00 C ATOM 368 C GLU A 24 6.385 -3.203 -5.436 1.00 0.00 C ATOM 369 O GLU A 24 6.661 -3.045 -6.626 1.00 0.00 O ATOM 370 CB GLU A 24 8.281 -2.959 -3.818 1.00 0.00 C ATOM 371 CG GLU A 24 7.571 -1.961 -2.917 1.00 0.00 C ATOM 372 CD GLU A 24 8.506 -0.895 -2.382 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.707 0.121 -3.080 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.036 -1.076 -1.265 1.00 0.00 O ATOM 0 H GLU A 24 8.914 -4.579 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 24 6.746 -4.460 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.008 -3.516 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.839 -2.415 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.763 -1.485 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.114 -2.492 -2.082 1.00 0.00 H new ATOM 381 N LEU A 25 5.263 -2.750 -4.887 1.00 0.00 N ATOM 382 CA LEU A 25 4.267 -2.024 -5.666 1.00 0.00 C ATOM 383 C LEU A 25 4.423 -0.517 -5.486 1.00 0.00 C ATOM 384 O LEU A 25 4.253 0.005 -4.384 1.00 0.00 O ATOM 385 CB LEU A 25 2.857 -2.457 -5.252 1.00 0.00 C ATOM 386 CG LEU A 25 1.720 -1.901 -6.114 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.565 -2.890 -6.175 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.240 -0.563 -5.570 1.00 0.00 C ATOM 0 H LEU A 25 5.020 -2.873 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 25 4.421 -2.260 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.808 -3.546 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.690 -2.152 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 25 2.101 -1.747 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.234 -2.479 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.912 -3.828 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.189 -3.073 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.432 -0.184 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.878 -0.694 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.066 0.149 -5.574 1.00 0.00 H new ATOM 400 N SER A 26 4.747 0.175 -6.574 1.00 0.00 N ATOM 401 CA SER A 26 4.910 1.624 -6.533 1.00 0.00 C ATOM 402 C SER A 26 3.596 2.309 -6.881 1.00 0.00 C ATOM 403 O SER A 26 2.681 1.677 -7.410 1.00 0.00 O ATOM 404 CB SER A 26 6.006 2.072 -7.500 1.00 0.00 C ATOM 405 OG SER A 26 6.186 3.477 -7.451 1.00 0.00 O ATOM 0 H SER A 26 4.901 -0.243 -7.492 1.00 0.00 H new ATOM 0 HA SER A 26 5.203 1.908 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.942 1.573 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.746 1.771 -8.515 1.00 0.00 H new ATOM 0 HG SER A 26 6.173 3.776 -6.518 1.00 0.00 H new ATOM 411 N PHE A 27 3.501 3.600 -6.586 1.00 0.00 N ATOM 412 CA PHE A 27 2.282 4.348 -6.870 1.00 0.00 C ATOM 413 C PHE A 27 2.515 5.853 -6.817 1.00 0.00 C ATOM 414 O PHE A 27 3.505 6.326 -6.258 1.00 0.00 O ATOM 415 CB PHE A 27 1.189 3.963 -5.871 1.00 0.00 C ATOM 416 CG PHE A 27 1.621 4.071 -4.434 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.646 5.301 -3.793 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.003 2.944 -3.726 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.044 5.402 -2.473 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.402 3.039 -2.406 1.00 0.00 C ATOM 421 CZ PHE A 27 2.422 4.269 -1.779 1.00 0.00 C ATOM 0 H PHE A 27 4.246 4.147 -6.154 1.00 0.00 H new ATOM 0 HA PHE A 27 1.967 4.092 -7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.321 4.603 -6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.871 2.940 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.351 6.190 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.989 1.979 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.059 6.365 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.698 2.152 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.733 4.345 -0.747 1.00 0.00 H new ATOM 431 N SER A 28 1.588 6.596 -7.411 1.00 0.00 N ATOM 432 CA SER A 28 1.652 8.050 -7.431 1.00 0.00 C ATOM 433 C SER A 28 0.304 8.631 -7.025 1.00 0.00 C ATOM 434 O SER A 28 -0.734 8.015 -7.260 1.00 0.00 O ATOM 435 CB SER A 28 2.043 8.552 -8.822 1.00 0.00 C ATOM 436 OG SER A 28 2.114 9.967 -8.851 1.00 0.00 O ATOM 0 H SER A 28 0.775 6.208 -7.890 1.00 0.00 H new ATOM 0 HA SER A 28 2.412 8.376 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.007 8.130 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.314 8.206 -9.555 1.00 0.00 H new ATOM 0 HG SER A 28 2.367 10.263 -9.750 1.00 0.00 H new ATOM 442 N LYS A 29 0.325 9.806 -6.402 1.00 0.00 N ATOM 443 CA LYS A 29 -0.904 10.463 -5.963 1.00 0.00 C ATOM 444 C LYS A 29 -1.982 10.402 -7.043 1.00 0.00 C ATOM 445 O LYS A 29 -1.932 11.144 -8.025 1.00 0.00 O ATOM 446 CB LYS A 29 -0.630 11.920 -5.588 1.00 0.00 C ATOM 447 CG LYS A 29 -1.854 12.644 -5.053 1.00 0.00 C ATOM 448 CD LYS A 29 -1.560 14.106 -4.768 1.00 0.00 C ATOM 449 CE LYS A 29 -2.798 14.838 -4.273 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.924 14.749 -5.245 1.00 0.00 N ATOM 0 H LYS A 29 1.178 10.323 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.266 9.929 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.159 11.952 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.258 12.450 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.666 12.570 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.195 12.156 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.769 14.180 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.190 14.587 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.110 14.417 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.554 15.885 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.648 15.455 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.569 14.932 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.342 13.797 -5.206 1.00 0.00 H new ATOM 464 N GLY A 30 -2.953 9.511 -6.856 1.00 0.00 N ATOM 465 CA GLY A 30 -4.029 9.372 -7.821 1.00 0.00 C ATOM 466 C GLY A 30 -4.277 7.929 -8.214 1.00 0.00 C ATOM 467 O GLY A 30 -5.424 7.488 -8.292 1.00 0.00 O ATOM 0 H GLY A 30 -3.013 8.884 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.943 9.793 -7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.790 9.951 -8.713 1.00 0.00 H new ATOM 471 N ASP A 31 -3.198 7.193 -8.464 1.00 0.00 N ATOM 472 CA ASP A 31 -3.297 5.790 -8.853 1.00 0.00 C ATOM 473 C ASP A 31 -4.039 4.975 -7.798 1.00 0.00 C ATOM 474 O ASP A 31 -3.698 5.013 -6.616 1.00 0.00 O ATOM 475 CB ASP A 31 -1.901 5.207 -9.079 1.00 0.00 C ATOM 476 CG ASP A 31 -1.162 5.900 -10.206 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.523 6.940 -9.946 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.224 5.402 -11.351 1.00 0.00 O ATOM 0 H ASP A 31 -2.243 7.546 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.864 5.737 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.321 5.293 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.986 4.144 -9.303 1.00 0.00 H new ATOM 483 N VAL A 32 -5.057 4.242 -8.239 1.00 0.00 N ATOM 484 CA VAL A 32 -5.855 3.415 -7.341 1.00 0.00 C ATOM 485 C VAL A 32 -5.331 1.982 -7.308 1.00 0.00 C ATOM 486 O VAL A 32 -4.979 1.419 -8.343 1.00 0.00 O ATOM 487 CB VAL A 32 -7.335 3.397 -7.762 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.184 2.704 -6.707 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.834 4.812 -8.018 1.00 0.00 C ATOM 0 H VAL A 32 -5.349 4.204 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.773 3.855 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.423 2.833 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.227 2.702 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.841 1.677 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.093 3.236 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.882 4.780 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.732 5.404 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.245 5.267 -8.815 1.00 0.00 H new ATOM 499 N ILE A 33 -5.288 1.393 -6.116 1.00 0.00 N ATOM 500 CA ILE A 33 -4.803 0.025 -5.958 1.00 0.00 C ATOM 501 C ILE A 33 -5.844 -0.856 -5.275 1.00 0.00 C ATOM 502 O ILE A 33 -6.543 -0.415 -4.362 1.00 0.00 O ATOM 503 CB ILE A 33 -3.499 -0.017 -5.138 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.448 0.903 -5.758 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.972 -1.442 -5.048 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.534 2.337 -5.278 1.00 0.00 C ATOM 0 H ILE A 33 -5.582 1.840 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.609 -0.357 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.715 0.335 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.456 0.512 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.557 0.885 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.051 -1.453 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.715 -2.075 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.772 -1.820 -6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.757 2.930 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.512 2.747 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.395 2.368 -4.197 1.00 0.00 H new ATOM 518 N HIS A 34 -5.944 -2.102 -5.726 1.00 0.00 N ATOM 519 CA HIS A 34 -6.891 -3.052 -5.151 1.00 0.00 C ATOM 520 C HIS A 34 -6.223 -3.874 -4.055 1.00 0.00 C ATOM 521 O HIS A 34 -5.401 -4.748 -4.333 1.00 0.00 O ATOM 522 CB HIS A 34 -7.447 -3.974 -6.237 1.00 0.00 C ATOM 523 CG HIS A 34 -8.222 -3.247 -7.293 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.663 -2.819 -8.478 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.522 -2.868 -7.332 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.585 -2.206 -9.201 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.720 -2.223 -8.528 1.00 0.00 N ATOM 0 H HIS A 34 -5.381 -2.478 -6.489 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.716 -2.492 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.622 -4.510 -6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.091 -4.722 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.264 -3.041 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.435 -1.766 -10.176 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.602 -1.822 -8.845 1.00 0.00 H new ATOM 536 N VAL A 35 -6.581 -3.589 -2.806 1.00 0.00 N ATOM 537 CA VAL A 35 -6.008 -4.293 -1.664 1.00 0.00 C ATOM 538 C VAL A 35 -6.576 -5.701 -1.524 1.00 0.00 C ATOM 539 O VAL A 35 -7.791 -5.895 -1.529 1.00 0.00 O ATOM 540 CB VAL A 35 -6.257 -3.530 -0.350 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.425 -4.123 0.776 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.960 -2.050 -0.523 1.00 0.00 C ATOM 0 H VAL A 35 -7.266 -2.875 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.936 -4.356 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.310 -3.633 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.614 -3.571 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.697 -5.169 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.367 -4.054 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.143 -1.530 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.918 -1.920 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.607 -1.637 -1.297 1.00 0.00 H new ATOM 552 N THR A 36 -5.686 -6.677 -1.387 1.00 0.00 N ATOM 553 CA THR A 36 -6.090 -8.068 -1.229 1.00 0.00 C ATOM 554 C THR A 36 -5.741 -8.568 0.166 1.00 0.00 C ATOM 555 O THR A 36 -6.612 -9.010 0.916 1.00 0.00 O ATOM 556 CB THR A 36 -5.413 -8.976 -2.275 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.990 -8.832 -2.204 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.893 -8.635 -3.677 1.00 0.00 C ATOM 0 H THR A 36 -4.677 -6.529 -1.382 1.00 0.00 H new ATOM 0 HA THR A 36 -7.169 -8.111 -1.377 1.00 0.00 H new ATOM 0 HB THR A 36 -5.683 -10.009 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.569 -9.414 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.402 -9.288 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.972 -8.775 -3.736 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.649 -7.597 -3.903 1.00 0.00 H new ATOM 566 N ARG A 37 -4.458 -8.493 0.508 1.00 0.00 N ATOM 567 CA ARG A 37 -3.990 -8.923 1.818 1.00 0.00 C ATOM 568 C ARG A 37 -4.008 -7.756 2.798 1.00 0.00 C ATOM 569 O ARG A 37 -3.044 -6.995 2.892 1.00 0.00 O ATOM 570 CB ARG A 37 -2.576 -9.498 1.720 1.00 0.00 C ATOM 571 CG ARG A 37 -2.465 -10.678 0.770 1.00 0.00 C ATOM 572 CD ARG A 37 -1.024 -11.141 0.626 1.00 0.00 C ATOM 573 NE ARG A 37 -0.445 -11.540 1.906 1.00 0.00 N ATOM 574 CZ ARG A 37 0.618 -12.330 2.021 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.214 -12.808 0.937 1.00 0.00 N ATOM 576 NH2 ARG A 37 1.088 -12.642 3.222 1.00 0.00 N ATOM 0 H ARG A 37 -3.725 -8.138 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.661 -9.701 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.895 -8.713 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.249 -9.809 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.078 -11.501 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.858 -10.398 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.981 -11.980 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.427 -10.338 0.193 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.881 -11.193 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.857 -12.570 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.029 -13.414 1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.634 -12.276 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.904 -13.248 3.309 1.00 0.00 H new ATOM 590 N VAL A 38 -5.113 -7.614 3.521 1.00 0.00 N ATOM 591 CA VAL A 38 -5.257 -6.533 4.489 1.00 0.00 C ATOM 592 C VAL A 38 -5.201 -7.065 5.919 1.00 0.00 C ATOM 593 O VAL A 38 -6.132 -7.716 6.391 1.00 0.00 O ATOM 594 CB VAL A 38 -6.574 -5.757 4.270 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.734 -6.714 4.039 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.861 -4.834 5.447 1.00 0.00 C ATOM 0 H VAL A 38 -5.921 -8.233 3.455 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.422 -5.849 4.337 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.459 -5.142 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.651 -6.144 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.534 -7.322 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.849 -7.362 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.793 -4.298 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.949 -5.424 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.046 -4.118 5.555 1.00 0.00 H new ATOM 650 N TRP A 43 1.840 -3.724 6.530 1.00 0.00 N ATOM 651 CA TRP A 43 2.032 -3.690 5.086 1.00 0.00 C ATOM 652 C TRP A 43 0.877 -4.365 4.355 1.00 0.00 C ATOM 653 O TRP A 43 0.420 -5.437 4.749 1.00 0.00 O ATOM 654 CB TRP A 43 3.347 -4.374 4.714 1.00 0.00 C ATOM 655 CG TRP A 43 4.532 -3.461 4.780 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.330 -3.226 5.862 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.054 -2.666 3.712 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.316 -2.328 5.532 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.169 -1.971 4.217 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.685 -2.474 2.377 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.920 -1.100 3.432 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.434 -1.610 1.600 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.539 -0.932 2.128 1.00 0.00 C ATOM 0 HA TRP A 43 2.065 -2.645 4.779 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.511 -5.219 5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.265 -4.778 3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.205 -3.679 6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.040 -1.983 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.832 -2.990 1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.773 -0.576 3.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.162 -1.455 0.566 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.102 -0.263 1.494 1.00 0.00 H new ATOM 674 N TRP A 44 0.411 -3.725 3.285 1.00 0.00 N ATOM 675 CA TRP A 44 -0.686 -4.260 2.485 1.00 0.00 C ATOM 676 C TRP A 44 -0.219 -4.573 1.067 1.00 0.00 C ATOM 677 O TRP A 44 0.490 -3.780 0.448 1.00 0.00 O ATOM 678 CB TRP A 44 -1.846 -3.262 2.428 1.00 0.00 C ATOM 679 CG TRP A 44 -2.580 -3.090 3.727 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.316 -3.706 4.918 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.710 -2.241 3.958 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.210 -3.288 5.874 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.076 -2.389 5.309 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.446 -1.367 3.153 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.145 -1.696 5.871 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.507 -0.681 3.711 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.847 -0.847 5.059 1.00 0.00 C ATOM 0 H TRP A 44 0.778 -2.833 2.952 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.026 -5.181 2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.460 -2.293 2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.553 -3.588 1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.521 -4.418 5.084 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.226 -3.597 6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.190 -1.230 2.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.411 -1.824 6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.084 -0.005 3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.680 -0.294 5.466 1.00 0.00 H new ATOM 698 N GLU A 45 -0.619 -5.734 0.561 1.00 0.00 N ATOM 699 CA GLU A 45 -0.258 -6.146 -0.792 1.00 0.00 C ATOM 700 C GLU A 45 -1.463 -6.039 -1.721 1.00 0.00 C ATOM 701 O GLU A 45 -2.577 -6.412 -1.353 1.00 0.00 O ATOM 702 CB GLU A 45 0.272 -7.581 -0.790 1.00 0.00 C ATOM 703 CG GLU A 45 0.789 -8.039 -2.144 1.00 0.00 C ATOM 704 CD GLU A 45 1.436 -9.409 -2.088 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.703 -10.415 -2.193 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.674 -9.475 -1.938 1.00 0.00 O ATOM 0 H GLU A 45 -1.194 -6.408 1.067 1.00 0.00 H new ATOM 0 HA GLU A 45 0.526 -5.481 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.075 -7.662 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.523 -8.253 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.036 -8.060 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.513 -7.314 -2.516 1.00 0.00 H new ATOM 713 N GLY A 46 -1.236 -5.528 -2.928 1.00 0.00 N ATOM 714 CA GLY A 46 -2.318 -5.378 -3.885 1.00 0.00 C ATOM 715 C GLY A 46 -1.855 -5.517 -5.321 1.00 0.00 C ATOM 716 O GLY A 46 -0.776 -6.048 -5.585 1.00 0.00 O ATOM 0 H GLY A 46 -0.323 -5.216 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.084 -6.126 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.783 -4.401 -3.751 1.00 0.00 H new ATOM 720 N THR A 47 -2.674 -5.034 -6.252 1.00 0.00 N ATOM 721 CA THR A 47 -2.350 -5.109 -7.671 1.00 0.00 C ATOM 722 C THR A 47 -2.598 -3.776 -8.372 1.00 0.00 C ATOM 723 O THR A 47 -3.521 -3.038 -8.021 1.00 0.00 O ATOM 724 CB THR A 47 -3.177 -6.206 -8.371 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.938 -7.472 -7.746 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.827 -6.295 -9.850 1.00 0.00 C ATOM 0 H THR A 47 -3.567 -4.586 -6.047 1.00 0.00 H new ATOM 0 HA THR A 47 -1.290 -5.354 -7.740 1.00 0.00 H new ATOM 0 HB THR A 47 -4.231 -5.945 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.468 -8.164 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.425 -7.077 -10.319 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.036 -5.340 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.769 -6.533 -9.960 1.00 0.00 H new ATOM 734 N LEU A 48 -1.766 -3.474 -9.364 1.00 0.00 N ATOM 735 CA LEU A 48 -1.890 -2.235 -10.126 1.00 0.00 C ATOM 736 C LEU A 48 -1.382 -2.435 -11.552 1.00 0.00 C ATOM 737 O LEU A 48 -0.673 -3.400 -11.838 1.00 0.00 O ATOM 738 CB LEU A 48 -1.121 -1.099 -9.439 1.00 0.00 C ATOM 739 CG LEU A 48 -1.262 0.282 -10.092 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.729 0.654 -10.257 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.539 1.338 -9.270 1.00 0.00 C ATOM 0 H LEU A 48 -0.995 -4.073 -9.660 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.944 -1.961 -10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.458 -1.029 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.064 -1.363 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.805 0.238 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.805 1.637 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.223 -0.085 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.211 0.677 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.650 2.311 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.967 1.376 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.519 1.085 -9.203 1.00 0.00 H new ATOM 753 N ASN A 49 -1.757 -1.523 -12.444 1.00 0.00 N ATOM 754 CA ASN A 49 -1.347 -1.599 -13.843 1.00 0.00 C ATOM 755 C ASN A 49 0.173 -1.663 -13.978 1.00 0.00 C ATOM 756 O ASN A 49 0.862 -0.652 -13.843 1.00 0.00 O ATOM 757 CB ASN A 49 -1.884 -0.395 -14.618 1.00 0.00 C ATOM 758 CG ASN A 49 -3.380 -0.217 -14.447 1.00 0.00 C ATOM 759 OD1 ASN A 49 -3.772 0.562 -13.446 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -4.174 -0.773 -15.206 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.346 -0.720 -12.222 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.764 -2.515 -14.260 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.373 0.507 -14.282 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.654 -0.516 -15.677 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.828 -1.363 -15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.178 -0.643 -15.078 1.00 0.00 H new ATOM 767 N GLY A 50 0.689 -2.861 -14.243 1.00 0.00 N ATOM 768 CA GLY A 50 2.121 -3.039 -14.408 1.00 0.00 C ATOM 769 C GLY A 50 2.887 -2.962 -13.101 1.00 0.00 C ATOM 770 O GLY A 50 4.117 -2.993 -13.096 1.00 0.00 O ATOM 0 H GLY A 50 0.139 -3.713 -14.347 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.309 -4.006 -14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.499 -2.277 -15.089 1.00 0.00 H new ATOM 774 N ARG A 51 2.164 -2.863 -11.991 1.00 0.00 N ATOM 775 CA ARG A 51 2.792 -2.780 -10.678 1.00 0.00 C ATOM 776 C ARG A 51 2.130 -3.737 -9.693 1.00 0.00 C ATOM 777 O ARG A 51 0.922 -3.675 -9.468 1.00 0.00 O ATOM 778 CB ARG A 51 2.724 -1.348 -10.149 1.00 0.00 C ATOM 779 CG ARG A 51 3.481 -0.350 -11.010 1.00 0.00 C ATOM 780 CD ARG A 51 3.355 1.064 -10.471 1.00 0.00 C ATOM 781 NE ARG A 51 4.035 2.037 -11.323 1.00 0.00 N ATOM 782 CZ ARG A 51 4.008 3.350 -11.116 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.331 3.851 -10.091 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.656 4.164 -11.938 1.00 0.00 N ATOM 0 H ARG A 51 1.144 -2.838 -11.974 1.00 0.00 H new ATOM 0 HA ARG A 51 3.837 -3.070 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.680 -1.042 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.127 -1.323 -9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.533 -0.631 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.099 -0.386 -12.030 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.301 1.328 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.774 1.107 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 51 4.562 1.688 -12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.829 3.228 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.313 4.859 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.175 3.783 -12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.635 5.171 -11.779 1.00 0.00 H new ATOM 798 N THR A 52 2.931 -4.622 -9.110 1.00 0.00 N ATOM 799 CA THR A 52 2.428 -5.595 -8.148 1.00 0.00 C ATOM 800 C THR A 52 3.393 -5.760 -6.979 1.00 0.00 C ATOM 801 O THR A 52 4.608 -5.837 -7.169 1.00 0.00 O ATOM 802 CB THR A 52 2.198 -6.968 -8.808 1.00 0.00 C ATOM 803 OG1 THR A 52 1.265 -6.843 -9.888 1.00 0.00 O ATOM 804 CG2 THR A 52 1.674 -7.978 -7.797 1.00 0.00 C ATOM 0 H THR A 52 3.933 -4.685 -9.287 1.00 0.00 H new ATOM 0 HA THR A 52 1.476 -5.214 -7.779 1.00 0.00 H new ATOM 0 HB THR A 52 3.154 -7.324 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.126 -7.720 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.520 -8.939 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.398 -8.095 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.728 -7.625 -7.387 1.00 0.00 H new ATOM 812 N GLY A 53 2.846 -5.811 -5.769 1.00 0.00 N ATOM 813 CA GLY A 53 3.672 -5.970 -4.585 1.00 0.00 C ATOM 814 C GLY A 53 3.076 -5.294 -3.368 1.00 0.00 C ATOM 815 O GLY A 53 1.917 -4.877 -3.384 1.00 0.00 O ATOM 0 H GLY A 53 1.845 -5.745 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.805 -7.032 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.662 -5.557 -4.778 1.00 0.00 H new ATOM 819 N TRP A 54 3.870 -5.187 -2.307 1.00 0.00 N ATOM 820 CA TRP A 54 3.416 -4.556 -1.074 1.00 0.00 C ATOM 821 C TRP A 54 3.508 -3.036 -1.174 1.00 0.00 C ATOM 822 O TRP A 54 4.246 -2.500 -2.001 1.00 0.00 O ATOM 823 CB TRP A 54 4.244 -5.050 0.114 1.00 0.00 C ATOM 824 CG TRP A 54 4.142 -6.527 0.343 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.891 -7.502 -0.250 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.241 -7.196 1.232 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.508 -8.737 0.215 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.496 -8.576 1.125 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.241 -6.763 2.108 1.00 0.00 C ATOM 830 CZ2 TRP A 54 2.790 -9.525 1.859 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.539 -7.706 2.836 1.00 0.00 C ATOM 832 CH2 TRP A 54 1.817 -9.073 2.709 1.00 0.00 C ATOM 0 H TRP A 54 4.830 -5.529 -2.277 1.00 0.00 H new ATOM 0 HA TRP A 54 2.373 -4.831 -0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.289 -4.787 -0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.920 -4.528 1.014 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.670 -7.328 -0.978 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.912 -9.629 -0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.021 -5.711 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.002 -10.579 1.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.763 -7.383 3.514 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.252 -9.784 3.293 1.00 0.00 H new ATOM 843 N PHE A 55 2.752 -2.349 -0.324 1.00 0.00 N ATOM 844 CA PHE A 55 2.745 -0.892 -0.299 1.00 0.00 C ATOM 845 C PHE A 55 2.429 -0.387 1.109 1.00 0.00 C ATOM 846 O PHE A 55 1.627 -0.990 1.821 1.00 0.00 O ATOM 847 CB PHE A 55 1.731 -0.338 -1.305 1.00 0.00 C ATOM 848 CG PHE A 55 0.350 -0.912 -1.163 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.559 -0.357 -0.276 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.040 -2.003 -1.921 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.833 -0.881 -0.148 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.311 -2.531 -1.797 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.208 -1.970 -0.910 1.00 0.00 C ATOM 0 H PHE A 55 2.132 -2.782 0.361 1.00 0.00 H new ATOM 0 HA PHE A 55 3.736 -0.539 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.676 0.745 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.092 -0.534 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.269 0.494 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.657 -2.446 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.533 -0.439 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.603 -3.382 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.201 -2.382 -0.812 1.00 0.00 H new ATOM 863 N PRO A 56 3.061 0.726 1.535 1.00 0.00 N ATOM 864 CA PRO A 56 2.842 1.290 2.872 1.00 0.00 C ATOM 865 C PRO A 56 1.382 1.651 3.116 1.00 0.00 C ATOM 866 O PRO A 56 0.757 2.329 2.303 1.00 0.00 O ATOM 867 CB PRO A 56 3.719 2.549 2.890 1.00 0.00 C ATOM 868 CG PRO A 56 3.996 2.853 1.458 1.00 0.00 C ATOM 869 CD PRO A 56 4.019 1.528 0.755 1.00 0.00 C ATOM 0 HA PRO A 56 3.094 0.576 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.207 3.379 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.643 2.377 3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.227 3.504 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.948 3.372 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.715 1.619 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.015 1.085 0.760 1.00 0.00 H new ATOM 877 N SER A 57 0.848 1.192 4.245 1.00 0.00 N ATOM 878 CA SER A 57 -0.541 1.458 4.603 1.00 0.00 C ATOM 879 C SER A 57 -0.710 2.876 5.138 1.00 0.00 C ATOM 880 O SER A 57 -1.831 3.363 5.285 1.00 0.00 O ATOM 881 CB SER A 57 -1.019 0.449 5.648 1.00 0.00 C ATOM 882 OG SER A 57 -0.901 -0.879 5.167 1.00 0.00 O ATOM 0 H SER A 57 1.358 0.633 4.929 1.00 0.00 H new ATOM 0 HA SER A 57 -1.145 1.358 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.434 0.562 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.058 0.654 5.908 1.00 0.00 H new ATOM 0 HG SER A 57 -1.784 -1.210 4.900 1.00 0.00 H new ATOM 888 N ASN A 58 0.408 3.535 5.426 1.00 0.00 N ATOM 889 CA ASN A 58 0.378 4.896 5.949 1.00 0.00 C ATOM 890 C ASN A 58 0.272 5.915 4.818 1.00 0.00 C ATOM 891 O ASN A 58 -0.233 7.020 5.012 1.00 0.00 O ATOM 892 CB ASN A 58 1.630 5.173 6.782 1.00 0.00 C ATOM 893 CG ASN A 58 1.686 4.332 8.043 1.00 0.00 C ATOM 894 OD1 ASN A 58 1.164 3.218 8.085 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.324 4.865 9.080 1.00 0.00 N ATOM 0 H ASN A 58 1.345 3.149 5.306 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.503 4.992 6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.516 4.976 6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.657 6.229 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.396 4.347 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.742 5.792 9.000 1.00 0.00 H new ATOM 902 N TYR A 59 0.749 5.534 3.638 1.00 0.00 N ATOM 903 CA TYR A 59 0.710 6.415 2.476 1.00 0.00 C ATOM 904 C TYR A 59 -0.528 6.153 1.625 1.00 0.00 C ATOM 905 O TYR A 59 -0.716 6.775 0.582 1.00 0.00 O ATOM 906 CB TYR A 59 1.974 6.237 1.632 1.00 0.00 C ATOM 907 CG TYR A 59 3.163 7.026 2.138 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.458 7.091 3.494 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.991 7.708 1.254 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.541 7.813 3.957 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.078 8.430 1.709 1.00 0.00 C ATOM 912 CZ TYR A 59 5.348 8.480 3.060 1.00 0.00 C ATOM 913 OH TYR A 59 6.428 9.198 3.516 1.00 0.00 O ATOM 0 H TYR A 59 1.167 4.621 3.461 1.00 0.00 H new ATOM 0 HA TYR A 59 0.663 7.443 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.236 5.179 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.760 6.538 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.829 6.568 4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.782 7.673 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.754 7.855 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.713 8.953 1.009 1.00 0.00 H new ATOM 0 HH TYR A 59 6.893 9.607 2.757 1.00 0.00 H new ATOM 923 N VAL A 60 -1.367 5.225 2.074 1.00 0.00 N ATOM 924 CA VAL A 60 -2.588 4.887 1.351 1.00 0.00 C ATOM 925 C VAL A 60 -3.788 4.835 2.295 1.00 0.00 C ATOM 926 O VAL A 60 -3.653 4.478 3.464 1.00 0.00 O ATOM 927 CB VAL A 60 -2.449 3.538 0.617 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.335 3.604 -0.414 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.202 2.408 1.606 1.00 0.00 C ATOM 0 H VAL A 60 -1.224 4.694 2.933 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.752 5.672 0.612 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.385 3.334 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.252 2.643 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.560 4.382 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.393 3.835 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.107 1.466 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.283 2.603 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.038 2.344 2.302 1.00 0.00 H new ATOM 939 N ARG A 61 -4.961 5.197 1.779 1.00 0.00 N ATOM 940 CA ARG A 61 -6.183 5.195 2.581 1.00 0.00 C ATOM 941 C ARG A 61 -7.360 4.635 1.788 1.00 0.00 C ATOM 942 O ARG A 61 -7.479 4.868 0.585 1.00 0.00 O ATOM 943 CB ARG A 61 -6.502 6.611 3.066 1.00 0.00 C ATOM 944 CG ARG A 61 -6.648 7.624 1.943 1.00 0.00 C ATOM 945 CD ARG A 61 -6.969 9.009 2.481 1.00 0.00 C ATOM 946 NE ARG A 61 -8.217 9.025 3.238 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.657 10.083 3.914 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.948 11.205 3.931 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.803 10.019 4.577 1.00 0.00 N ATOM 0 H ARG A 61 -5.091 5.495 0.812 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.018 4.552 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.426 6.588 3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.712 6.941 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.725 7.662 1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.438 7.304 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.153 9.348 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.039 9.713 1.652 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.784 8.177 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.064 11.257 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.287 12.015 4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.349 9.158 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.139 10.831 5.095 1.00 0.00 H new ATOM 963 N GLU A 62 -8.226 3.891 2.473 1.00 0.00 N ATOM 964 CA GLU A 62 -9.395 3.283 1.840 1.00 0.00 C ATOM 965 C GLU A 62 -10.231 4.322 1.098 1.00 0.00 C ATOM 966 O GLU A 62 -10.776 5.244 1.705 1.00 0.00 O ATOM 967 CB GLU A 62 -10.257 2.574 2.886 1.00 0.00 C ATOM 968 CG GLU A 62 -11.530 1.965 2.318 1.00 0.00 C ATOM 969 CD GLU A 62 -12.377 1.289 3.380 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.100 2.002 4.105 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.319 0.046 3.483 1.00 0.00 O ATOM 0 H GLU A 62 -8.140 3.694 3.470 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.036 2.554 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.667 1.788 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.523 3.285 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.117 2.745 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.269 1.238 1.549 1.00 0.00 H new ATOM 978 N VAL A 63 -10.325 4.162 -0.218 1.00 0.00 N ATOM 979 CA VAL A 63 -11.102 5.075 -1.047 1.00 0.00 C ATOM 980 C VAL A 63 -12.391 4.410 -1.523 1.00 0.00 C ATOM 981 O VAL A 63 -12.415 3.209 -1.794 1.00 0.00 O ATOM 982 CB VAL A 63 -10.294 5.552 -2.271 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.984 4.388 -3.201 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.040 6.653 -3.010 1.00 0.00 C ATOM 0 H VAL A 63 -9.872 3.407 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.346 5.940 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.348 5.961 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.414 4.748 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.400 3.640 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.916 3.941 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.453 6.976 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.004 6.275 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.198 7.498 -2.340 1.00 0.00 H new