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 Set 1.1: A 20 THR OG1 : rot -84:sc= 0.118 USER MOD Set 1.2: A 21 ASN : amide:sc= -1.36 K(o=-1.2,f=-5.3!) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -2.53! (180deg=-2.74!) USER MOD Single : A 16 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.4) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00618 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0564 (180deg=-0.394) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -50:sc= 0.555 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0179 K(o=-0.018,f=-0.76) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -10.572 -5.054 0.010 1.00 0.00 N ATOM 117 CA LEU A 9 -10.319 -3.701 0.486 1.00 0.00 C ATOM 118 C LEU A 9 -9.728 -2.848 -0.631 1.00 0.00 C ATOM 119 O LEU A 9 -8.729 -3.218 -1.246 1.00 0.00 O ATOM 120 CB LEU A 9 -9.371 -3.730 1.690 1.00 0.00 C ATOM 121 CG LEU A 9 -9.364 -2.466 2.557 1.00 0.00 C ATOM 122 CD1 LEU A 9 -8.724 -2.752 3.906 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.631 -1.331 1.856 1.00 0.00 C ATOM 0 HA LEU A 9 -11.266 -3.259 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.637 -4.579 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.358 -3.907 1.328 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.397 -2.159 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.727 -1.844 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.289 -3.531 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.697 -3.086 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.640 -0.445 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.600 -1.628 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.127 -1.105 0.912 1.00 0.00 H new ATOM 135 N VAL A 10 -10.356 -1.705 -0.887 1.00 0.00 N ATOM 136 CA VAL A 10 -9.896 -0.797 -1.930 1.00 0.00 C ATOM 137 C VAL A 10 -9.195 0.415 -1.325 1.00 0.00 C ATOM 138 O VAL A 10 -9.747 1.096 -0.460 1.00 0.00 O ATOM 139 CB VAL A 10 -11.068 -0.319 -2.808 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.557 0.483 -3.994 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.900 -1.505 -3.275 1.00 0.00 C ATOM 0 H VAL A 10 -11.185 -1.386 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.190 -1.349 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.705 0.332 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.400 0.811 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.008 1.353 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.896 -0.140 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.724 -1.150 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.274 -2.182 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.298 -2.033 -2.409 1.00 0.00 H new ATOM 151 N VAL A 11 -7.975 0.679 -1.785 1.00 0.00 N ATOM 152 CA VAL A 11 -7.194 1.804 -1.280 1.00 0.00 C ATOM 153 C VAL A 11 -6.769 2.736 -2.416 1.00 0.00 C ATOM 154 O VAL A 11 -6.733 2.333 -3.578 1.00 0.00 O ATOM 155 CB VAL A 11 -5.946 1.308 -0.521 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.856 0.866 -1.488 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.432 2.381 0.425 1.00 0.00 C ATOM 0 H VAL A 11 -7.506 0.130 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.830 2.361 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.234 0.441 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.988 0.521 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.230 0.054 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.568 1.706 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.552 2.011 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.167 3.272 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.208 2.631 1.148 1.00 0.00 H new ATOM 167 N ARG A 12 -6.448 3.983 -2.072 1.00 0.00 N ATOM 168 CA ARG A 12 -6.029 4.967 -3.068 1.00 0.00 C ATOM 169 C ARG A 12 -4.723 5.644 -2.660 1.00 0.00 C ATOM 170 O ARG A 12 -4.529 5.992 -1.495 1.00 0.00 O ATOM 171 CB ARG A 12 -7.118 6.023 -3.270 1.00 0.00 C ATOM 172 CG ARG A 12 -6.788 7.036 -4.353 1.00 0.00 C ATOM 173 CD ARG A 12 -7.859 8.108 -4.464 1.00 0.00 C ATOM 174 NE ARG A 12 -7.975 8.895 -3.239 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.832 9.901 -3.087 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.642 10.243 -4.080 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.879 10.566 -1.940 1.00 0.00 N ATOM 0 H ARG A 12 -6.470 4.334 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.865 4.438 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.054 5.524 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.281 6.549 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.827 7.502 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.684 6.525 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.625 8.769 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.818 7.640 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.365 8.660 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.609 9.734 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.298 11.015 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.258 10.306 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.536 11.337 -1.824 1.00 0.00 H new ATOM 191 N ALA A 13 -3.832 5.827 -3.631 1.00 0.00 N ATOM 192 CA ALA A 13 -2.542 6.463 -3.386 1.00 0.00 C ATOM 193 C ALA A 13 -2.713 7.898 -2.893 1.00 0.00 C ATOM 194 O ALA A 13 -3.486 8.670 -3.458 1.00 0.00 O ATOM 195 CB ALA A 13 -1.699 6.439 -4.652 1.00 0.00 C ATOM 0 H ALA A 13 -3.982 5.542 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.032 5.900 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.738 6.916 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.536 5.407 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.218 6.977 -5.445 1.00 0.00 H new ATOM 201 N LYS A 14 -1.985 8.247 -1.835 1.00 0.00 N ATOM 202 CA LYS A 14 -2.050 9.590 -1.270 1.00 0.00 C ATOM 203 C LYS A 14 -0.919 10.464 -1.804 1.00 0.00 C ATOM 204 O LYS A 14 -1.157 11.440 -2.518 1.00 0.00 O ATOM 205 CB LYS A 14 -1.980 9.532 0.255 1.00 0.00 C ATOM 206 CG LYS A 14 -3.158 8.814 0.894 1.00 0.00 C ATOM 207 CD LYS A 14 -3.027 8.762 2.409 1.00 0.00 C ATOM 208 CE LYS A 14 -3.062 10.153 3.025 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.301 10.893 2.658 1.00 0.00 N ATOM 0 H LYS A 14 -1.344 7.618 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.001 10.031 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.058 9.031 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.929 10.548 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.084 9.323 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.225 7.800 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.835 8.160 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.093 8.269 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.996 10.071 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.191 10.718 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.255 11.859 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.386 10.935 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.128 10.403 3.054 1.00 0.00 H new ATOM 223 N PHE A 15 0.315 10.108 -1.453 1.00 0.00 N ATOM 224 CA PHE A 15 1.486 10.862 -1.893 1.00 0.00 C ATOM 225 C PHE A 15 2.157 10.182 -3.082 1.00 0.00 C ATOM 226 O PHE A 15 1.898 9.013 -3.368 1.00 0.00 O ATOM 227 CB PHE A 15 2.494 10.999 -0.747 1.00 0.00 C ATOM 228 CG PHE A 15 1.881 11.430 0.557 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.154 12.607 0.644 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.035 10.656 1.696 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.592 13.003 1.844 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.476 11.046 2.898 1.00 0.00 C ATOM 233 CZ PHE A 15 0.753 12.222 2.972 1.00 0.00 C ATOM 0 H PHE A 15 0.529 9.302 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 15 1.150 11.853 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.996 10.043 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.259 11.721 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.025 13.221 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.599 9.736 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.028 13.922 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.604 10.433 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.315 12.530 3.910 1.00 0.00 H new ATOM 243 N ASN A 16 3.021 10.922 -3.772 1.00 0.00 N ATOM 244 CA ASN A 16 3.734 10.386 -4.925 1.00 0.00 C ATOM 245 C ASN A 16 4.850 9.452 -4.471 1.00 0.00 C ATOM 246 O ASN A 16 5.886 9.900 -3.978 1.00 0.00 O ATOM 247 CB ASN A 16 4.311 11.522 -5.773 1.00 0.00 C ATOM 248 CG ASN A 16 5.038 11.013 -7.003 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.440 10.844 -8.066 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.336 10.766 -6.865 1.00 0.00 N ATOM 0 H ASN A 16 3.243 11.893 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 16 3.029 9.820 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.505 12.188 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.998 12.112 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.877 10.422 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.792 10.920 -5.966 1.00 0.00 H new ATOM 257 N PHE A 17 4.631 8.151 -4.638 1.00 0.00 N ATOM 258 CA PHE A 17 5.613 7.151 -4.235 1.00 0.00 C ATOM 259 C PHE A 17 6.517 6.768 -5.402 1.00 0.00 C ATOM 260 O PHE A 17 6.058 6.629 -6.536 1.00 0.00 O ATOM 261 CB PHE A 17 4.899 5.909 -3.697 1.00 0.00 C ATOM 262 CG PHE A 17 5.788 4.986 -2.913 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.617 4.083 -3.560 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.789 5.016 -1.528 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.431 3.230 -2.841 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.600 4.166 -0.802 1.00 0.00 C ATOM 267 CZ PHE A 17 7.423 3.272 -1.459 1.00 0.00 C ATOM 0 H PHE A 17 3.781 7.765 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 17 6.236 7.580 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.070 6.225 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.468 5.359 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.626 4.046 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.147 5.713 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.073 2.531 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.591 4.200 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.059 2.607 -0.894 1.00 0.00 H new ATOM 277 N GLN A 18 7.804 6.600 -5.114 1.00 0.00 N ATOM 278 CA GLN A 18 8.776 6.224 -6.134 1.00 0.00 C ATOM 279 C GLN A 18 9.560 4.992 -5.697 1.00 0.00 C ATOM 280 O GLN A 18 10.250 5.013 -4.678 1.00 0.00 O ATOM 281 CB GLN A 18 9.732 7.386 -6.416 1.00 0.00 C ATOM 282 CG GLN A 18 9.043 8.617 -6.983 1.00 0.00 C ATOM 283 CD GLN A 18 10.003 9.767 -7.218 1.00 0.00 C ATOM 284 OE1 GLN A 18 10.585 9.895 -8.294 1.00 0.00 O ATOM 285 NE2 GLN A 18 10.172 10.612 -6.208 1.00 0.00 N ATOM 0 H GLN A 18 8.198 6.719 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 18 8.236 5.986 -7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.242 7.659 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.498 7.054 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.557 8.356 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.259 8.938 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.669 10.468 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.805 11.406 -6.307 1.00 0.00 H new ATOM 294 N GLN A 19 9.447 3.919 -6.475 1.00 0.00 N ATOM 295 CA GLN A 19 10.133 2.671 -6.164 1.00 0.00 C ATOM 296 C GLN A 19 11.561 2.673 -6.700 1.00 0.00 C ATOM 297 O GLN A 19 11.906 3.462 -7.579 1.00 0.00 O ATOM 298 CB GLN A 19 9.363 1.488 -6.754 1.00 0.00 C ATOM 299 CG GLN A 19 9.473 1.383 -8.269 1.00 0.00 C ATOM 300 CD GLN A 19 8.619 0.269 -8.842 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.335 -0.719 -8.169 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.212 0.420 -10.096 1.00 0.00 N ATOM 0 H GLN A 19 8.886 3.890 -7.326 1.00 0.00 H new ATOM 0 HA GLN A 19 10.176 2.575 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.733 0.565 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.312 1.576 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.175 2.331 -8.717 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.514 1.214 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.471 1.257 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.640 -0.301 -10.537 1.00 0.00 H new ATOM 311 N THR A 20 12.385 1.781 -6.160 1.00 0.00 N ATOM 312 CA THR A 20 13.773 1.658 -6.589 1.00 0.00 C ATOM 313 C THR A 20 13.950 0.429 -7.470 1.00 0.00 C ATOM 314 O THR A 20 14.914 0.327 -8.231 1.00 0.00 O ATOM 315 CB THR A 20 14.730 1.561 -5.387 1.00 0.00 C ATOM 316 OG1 THR A 20 16.068 1.325 -5.844 1.00 0.00 O ATOM 317 CG2 THR A 20 14.307 0.443 -4.445 1.00 0.00 C ATOM 0 H THR A 20 12.114 1.131 -5.422 1.00 0.00 H new ATOM 0 HA THR A 20 14.018 2.556 -7.156 1.00 0.00 H new ATOM 0 HB THR A 20 14.692 2.505 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.195 0.366 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.999 0.395 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.300 0.639 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.319 -0.507 -4.979 1.00 0.00 H new ATOM 325 N ASN A 21 13.008 -0.502 -7.359 1.00 0.00 N ATOM 326 CA ASN A 21 13.037 -1.732 -8.141 1.00 0.00 C ATOM 327 C ASN A 21 11.621 -2.245 -8.381 1.00 0.00 C ATOM 328 O ASN A 21 10.679 -1.824 -7.711 1.00 0.00 O ATOM 329 CB ASN A 21 13.869 -2.800 -7.429 1.00 0.00 C ATOM 330 CG ASN A 21 15.323 -2.397 -7.278 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.707 -1.774 -6.289 1.00 0.00 O ATOM 332 ND2 ASN A 21 16.140 -2.750 -8.264 1.00 0.00 N ATOM 0 H ASN A 21 12.209 -0.426 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 21 13.498 -1.514 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.444 -2.990 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.810 -3.734 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.129 -2.505 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.778 -3.266 -9.066 1.00 0.00 H new ATOM 339 N GLU A 22 11.477 -3.159 -9.334 1.00 0.00 N ATOM 340 CA GLU A 22 10.172 -3.719 -9.666 1.00 0.00 C ATOM 341 C GLU A 22 9.674 -4.669 -8.579 1.00 0.00 C ATOM 342 O GLU A 22 8.519 -5.096 -8.599 1.00 0.00 O ATOM 343 CB GLU A 22 10.236 -4.450 -11.011 1.00 0.00 C ATOM 344 CG GLU A 22 11.250 -5.585 -11.049 1.00 0.00 C ATOM 345 CD GLU A 22 10.751 -6.843 -10.363 1.00 0.00 C ATOM 346 OE1 GLU A 22 9.888 -7.533 -10.946 1.00 0.00 O ATOM 347 OE2 GLU A 22 11.225 -7.139 -9.247 1.00 0.00 O ATOM 0 H GLU A 22 12.248 -3.528 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 22 9.466 -2.892 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.249 -4.850 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.481 -3.731 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.493 -5.814 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.173 -5.258 -10.571 1.00 0.00 H new ATOM 354 N ASP A 23 10.548 -4.997 -7.632 1.00 0.00 N ATOM 355 CA ASP A 23 10.187 -5.898 -6.542 1.00 0.00 C ATOM 356 C ASP A 23 9.092 -5.291 -5.673 1.00 0.00 C ATOM 357 O ASP A 23 8.226 -6.001 -5.160 1.00 0.00 O ATOM 358 CB ASP A 23 11.413 -6.220 -5.688 1.00 0.00 C ATOM 359 CG ASP A 23 12.505 -6.914 -6.480 1.00 0.00 C ATOM 360 OD1 ASP A 23 13.344 -6.210 -7.079 1.00 0.00 O ATOM 361 OD2 ASP A 23 12.518 -8.164 -6.503 1.00 0.00 O ATOM 0 H ASP A 23 11.508 -4.654 -7.597 1.00 0.00 H new ATOM 0 HA ASP A 23 9.807 -6.821 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.808 -5.298 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.114 -6.854 -4.854 1.00 0.00 H new ATOM 366 N GLU A 24 9.135 -3.973 -5.512 1.00 0.00 N ATOM 367 CA GLU A 24 8.145 -3.266 -4.706 1.00 0.00 C ATOM 368 C GLU A 24 7.045 -2.692 -5.593 1.00 0.00 C ATOM 369 O GLU A 24 7.201 -2.608 -6.812 1.00 0.00 O ATOM 370 CB GLU A 24 8.820 -2.148 -3.906 1.00 0.00 C ATOM 371 CG GLU A 24 7.908 -1.485 -2.887 1.00 0.00 C ATOM 372 CD GLU A 24 8.631 -0.457 -2.039 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.997 0.608 -2.580 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.837 -0.719 -0.834 1.00 0.00 O ATOM 0 H GLU A 24 9.845 -3.372 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 24 7.693 -3.973 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.689 -2.557 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.188 -1.390 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.079 -1.004 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.479 -2.248 -2.238 1.00 0.00 H new ATOM 381 N LEU A 25 5.930 -2.309 -4.980 1.00 0.00 N ATOM 382 CA LEU A 25 4.809 -1.743 -5.721 1.00 0.00 C ATOM 383 C LEU A 25 4.827 -0.221 -5.652 1.00 0.00 C ATOM 384 O LEU A 25 4.694 0.364 -4.577 1.00 0.00 O ATOM 385 CB LEU A 25 3.482 -2.280 -5.172 1.00 0.00 C ATOM 386 CG LEU A 25 2.239 -1.942 -6.003 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.162 -2.996 -5.797 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.703 -0.565 -5.637 1.00 0.00 C ATOM 0 H LEU A 25 5.779 -2.380 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 25 4.906 -2.041 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.556 -3.364 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.341 -1.889 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 25 2.525 -1.932 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.286 -2.742 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.542 -3.970 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.885 -3.033 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.821 -0.346 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.435 -0.548 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.469 0.186 -5.829 1.00 0.00 H new ATOM 400 N SER A 26 4.992 0.416 -6.806 1.00 0.00 N ATOM 401 CA SER A 26 5.018 1.871 -6.879 1.00 0.00 C ATOM 402 C SER A 26 3.618 2.408 -7.153 1.00 0.00 C ATOM 403 O SER A 26 2.758 1.684 -7.655 1.00 0.00 O ATOM 404 CB SER A 26 5.978 2.333 -7.975 1.00 0.00 C ATOM 405 OG SER A 26 6.038 3.747 -8.042 1.00 0.00 O ATOM 0 H SER A 26 5.110 -0.053 -7.704 1.00 0.00 H new ATOM 0 HA SER A 26 5.366 2.260 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.973 1.933 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.655 1.934 -8.937 1.00 0.00 H new ATOM 0 HG SER A 26 6.660 4.015 -8.750 1.00 0.00 H new ATOM 411 N PHE A 27 3.389 3.675 -6.821 1.00 0.00 N ATOM 412 CA PHE A 27 2.081 4.283 -7.037 1.00 0.00 C ATOM 413 C PHE A 27 2.147 5.804 -6.949 1.00 0.00 C ATOM 414 O PHE A 27 3.027 6.363 -6.295 1.00 0.00 O ATOM 415 CB PHE A 27 1.072 3.744 -6.021 1.00 0.00 C ATOM 416 CG PHE A 27 1.538 3.837 -4.595 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.325 4.989 -3.854 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.184 2.770 -3.993 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.750 5.076 -2.542 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.610 2.850 -2.680 1.00 0.00 C ATOM 421 CZ PHE A 27 2.392 4.005 -1.954 1.00 0.00 C ATOM 0 H PHE A 27 4.084 4.295 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 27 1.756 4.019 -8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.137 4.295 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.856 2.702 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.820 5.829 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.357 1.865 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.580 5.981 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.113 2.011 -2.223 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.723 4.070 -0.928 1.00 0.00 H new ATOM 431 N SER A 28 1.204 6.461 -7.617 1.00 0.00 N ATOM 432 CA SER A 28 1.136 7.917 -7.620 1.00 0.00 C ATOM 433 C SER A 28 -0.257 8.386 -7.213 1.00 0.00 C ATOM 434 O SER A 28 -1.244 7.690 -7.444 1.00 0.00 O ATOM 435 CB SER A 28 1.487 8.465 -9.004 1.00 0.00 C ATOM 436 OG SER A 28 2.795 8.084 -9.388 1.00 0.00 O ATOM 0 H SER A 28 0.474 6.005 -8.165 1.00 0.00 H new ATOM 0 HA SER A 28 1.860 8.295 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.768 8.098 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.409 9.552 -8.998 1.00 0.00 H new ATOM 0 HG SER A 28 2.993 8.446 -10.277 1.00 0.00 H new ATOM 442 N LYS A 29 -0.322 9.563 -6.598 1.00 0.00 N ATOM 443 CA LYS A 29 -1.589 10.137 -6.151 1.00 0.00 C ATOM 444 C LYS A 29 -2.681 9.977 -7.209 1.00 0.00 C ATOM 445 O LYS A 29 -2.693 10.689 -8.213 1.00 0.00 O ATOM 446 CB LYS A 29 -1.406 11.619 -5.815 1.00 0.00 C ATOM 447 CG LYS A 29 -2.650 12.273 -5.237 1.00 0.00 C ATOM 448 CD LYS A 29 -2.394 13.723 -4.858 1.00 0.00 C ATOM 449 CE LYS A 29 -3.611 14.350 -4.198 1.00 0.00 C ATOM 450 NZ LYS A 29 -4.013 13.618 -2.966 1.00 0.00 N ATOM 0 H LYS A 29 0.493 10.142 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.902 9.597 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.588 11.722 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.112 12.153 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.460 12.224 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.978 11.719 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.542 13.778 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.129 14.292 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.394 15.389 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.442 14.358 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.629 14.224 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.527 12.753 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.165 13.365 -2.420 1.00 0.00 H new ATOM 464 N GLY A 30 -3.593 9.036 -6.975 1.00 0.00 N ATOM 465 CA GLY A 30 -4.677 8.806 -7.913 1.00 0.00 C ATOM 466 C GLY A 30 -4.875 7.337 -8.243 1.00 0.00 C ATOM 467 O GLY A 30 -6.008 6.861 -8.324 1.00 0.00 O ATOM 0 H GLY A 30 -3.600 8.430 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.601 9.207 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.477 9.355 -8.833 1.00 0.00 H new ATOM 471 N ASP A 31 -3.772 6.620 -8.434 1.00 0.00 N ATOM 472 CA ASP A 31 -3.827 5.198 -8.766 1.00 0.00 C ATOM 473 C ASP A 31 -4.560 4.398 -7.691 1.00 0.00 C ATOM 474 O ASP A 31 -4.255 4.509 -6.504 1.00 0.00 O ATOM 475 CB ASP A 31 -2.413 4.645 -8.948 1.00 0.00 C ATOM 476 CG ASP A 31 -1.678 5.305 -10.098 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.785 4.804 -11.237 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.995 6.323 -9.860 1.00 0.00 O ATOM 0 H ASP A 31 -2.828 7.000 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.381 5.097 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.848 4.791 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.466 3.570 -9.123 1.00 0.00 H new ATOM 483 N VAL A 32 -5.531 3.595 -8.121 1.00 0.00 N ATOM 484 CA VAL A 32 -6.306 2.766 -7.204 1.00 0.00 C ATOM 485 C VAL A 32 -5.691 1.375 -7.081 1.00 0.00 C ATOM 486 O VAL A 32 -5.565 0.654 -8.071 1.00 0.00 O ATOM 487 CB VAL A 32 -7.770 2.628 -7.667 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.588 1.863 -6.637 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.378 3.997 -7.931 1.00 0.00 C ATOM 0 H VAL A 32 -5.799 3.502 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.288 3.261 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.784 2.063 -8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.618 1.776 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.165 0.867 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.567 2.397 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.411 3.879 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.351 4.590 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.808 4.504 -8.709 1.00 0.00 H new ATOM 499 N ILE A 33 -5.314 1.000 -5.863 1.00 0.00 N ATOM 500 CA ILE A 33 -4.703 -0.304 -5.621 1.00 0.00 C ATOM 501 C ILE A 33 -5.650 -1.233 -4.866 1.00 0.00 C ATOM 502 O ILE A 33 -6.342 -0.812 -3.938 1.00 0.00 O ATOM 503 CB ILE A 33 -3.389 -0.170 -4.826 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.381 0.678 -5.604 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.803 -1.542 -4.521 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.558 2.168 -5.407 1.00 0.00 C ATOM 0 H ILE A 33 -5.420 1.578 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.487 -0.734 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.608 0.327 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.373 0.398 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.469 0.448 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.876 -1.425 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.515 -2.119 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.598 -2.066 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.808 2.704 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.554 2.463 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.440 2.412 -4.351 1.00 0.00 H new ATOM 518 N HIS A 34 -5.674 -2.500 -5.272 1.00 0.00 N ATOM 519 CA HIS A 34 -6.524 -3.495 -4.630 1.00 0.00 C ATOM 520 C HIS A 34 -5.761 -4.225 -3.530 1.00 0.00 C ATOM 521 O HIS A 34 -4.882 -5.041 -3.809 1.00 0.00 O ATOM 522 CB HIS A 34 -7.041 -4.502 -5.660 1.00 0.00 C ATOM 523 CG HIS A 34 -7.993 -3.911 -6.652 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.592 -3.395 -7.866 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.338 -3.758 -6.606 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.648 -2.949 -8.523 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.720 -3.158 -7.781 1.00 0.00 N ATOM 0 H HIS A 34 -5.113 -2.861 -6.044 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.373 -2.978 -4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.193 -4.930 -6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.536 -5.321 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.989 -4.053 -5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.636 -2.491 -9.501 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.676 -2.914 -8.038 1.00 0.00 H new ATOM 536 N VAL A 35 -6.099 -3.925 -2.281 1.00 0.00 N ATOM 537 CA VAL A 35 -5.441 -4.551 -1.140 1.00 0.00 C ATOM 538 C VAL A 35 -5.910 -5.990 -0.951 1.00 0.00 C ATOM 539 O VAL A 35 -7.104 -6.278 -1.019 1.00 0.00 O ATOM 540 CB VAL A 35 -5.703 -3.767 0.160 1.00 0.00 C ATOM 541 CG1 VAL A 35 -4.808 -4.273 1.280 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.502 -2.276 -0.064 1.00 0.00 C ATOM 0 H VAL A 35 -6.825 -3.252 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.372 -4.545 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.740 -3.928 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.008 -3.707 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.010 -5.329 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.763 -4.146 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.692 -1.740 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.477 -2.091 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.193 -1.927 -0.832 1.00 0.00 H new ATOM 552 N THR A 36 -4.960 -6.888 -0.709 1.00 0.00 N ATOM 553 CA THR A 36 -5.273 -8.297 -0.504 1.00 0.00 C ATOM 554 C THR A 36 -5.028 -8.698 0.948 1.00 0.00 C ATOM 555 O THR A 36 -5.946 -9.132 1.644 1.00 0.00 O ATOM 556 CB THR A 36 -4.434 -9.202 -1.428 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.037 -8.990 -1.191 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.752 -8.924 -2.890 1.00 0.00 C ATOM 0 H THR A 36 -3.967 -6.664 -0.650 1.00 0.00 H new ATOM 0 HA THR A 36 -6.327 -8.431 -0.746 1.00 0.00 H new ATOM 0 HB THR A 36 -4.685 -10.239 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.842 -8.030 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.148 -9.574 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.809 -9.116 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.527 -7.883 -3.120 1.00 0.00 H new ATOM 566 N ARG A 37 -3.787 -8.550 1.397 1.00 0.00 N ATOM 567 CA ARG A 37 -3.425 -8.882 2.768 1.00 0.00 C ATOM 568 C ARG A 37 -3.616 -7.673 3.676 1.00 0.00 C ATOM 569 O ARG A 37 -3.046 -6.608 3.434 1.00 0.00 O ATOM 570 CB ARG A 37 -1.976 -9.364 2.841 1.00 0.00 C ATOM 571 CG ARG A 37 -1.709 -10.624 2.034 1.00 0.00 C ATOM 572 CD ARG A 37 -0.294 -11.133 2.255 1.00 0.00 C ATOM 573 NE ARG A 37 -0.005 -12.318 1.452 1.00 0.00 N ATOM 574 CZ ARG A 37 1.116 -13.027 1.559 1.00 0.00 C ATOM 575 NH1 ARG A 37 2.049 -12.672 2.433 1.00 0.00 N ATOM 576 NH2 ARG A 37 1.303 -14.091 0.792 1.00 0.00 N ATOM 0 H ARG A 37 -3.014 -8.202 0.830 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.078 -9.686 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.320 -8.570 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.716 -9.549 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.424 -11.397 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.863 -10.419 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.417 -10.345 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.154 -11.368 3.310 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.702 -12.619 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.908 -11.854 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.907 -13.218 2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.588 -14.367 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.162 -14.634 0.874 1.00 0.00 H new ATOM 590 N VAL A 38 -4.420 -7.841 4.721 1.00 0.00 N ATOM 591 CA VAL A 38 -4.686 -6.758 5.658 1.00 0.00 C ATOM 592 C VAL A 38 -4.120 -7.072 7.039 1.00 0.00 C ATOM 593 O VAL A 38 -4.681 -7.877 7.782 1.00 0.00 O ATOM 594 CB VAL A 38 -6.197 -6.483 5.783 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.459 -5.337 6.749 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.798 -6.185 4.418 1.00 0.00 C ATOM 0 H VAL A 38 -4.897 -8.716 4.939 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.194 -5.869 5.262 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.676 -7.377 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.532 -5.160 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.066 -5.593 7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.967 -4.435 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.866 -5.993 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.313 -5.308 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.647 -7.040 3.759 1.00 0.00 H new ATOM 650 N TRP A 43 2.519 -3.035 6.744 1.00 0.00 N ATOM 651 CA TRP A 43 2.660 -3.105 5.294 1.00 0.00 C ATOM 652 C TRP A 43 1.533 -3.915 4.664 1.00 0.00 C ATOM 653 O TRP A 43 1.182 -4.992 5.147 1.00 0.00 O ATOM 654 CB TRP A 43 4.005 -3.726 4.922 1.00 0.00 C ATOM 655 CG TRP A 43 5.127 -2.738 4.872 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.858 -2.269 5.925 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.648 -2.099 3.703 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.804 -1.377 5.481 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.696 -1.256 4.120 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.332 -2.160 2.342 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.429 -0.481 3.225 1.00 0.00 C ATOM 662 CZ3 TRP A 43 6.061 -1.389 1.455 1.00 0.00 C ATOM 663 CH2 TRP A 43 7.098 -0.559 1.900 1.00 0.00 C ATOM 0 HA TRP A 43 2.609 -2.087 4.908 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.249 -4.504 5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.915 -4.211 3.950 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.714 -2.557 6.956 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.477 -0.885 6.069 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.534 -2.797 1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.230 0.159 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.827 -1.427 0.401 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.648 0.032 1.182 1.00 0.00 H new ATOM 674 N TRP A 44 0.974 -3.391 3.577 1.00 0.00 N ATOM 675 CA TRP A 44 -0.105 -4.067 2.866 1.00 0.00 C ATOM 676 C TRP A 44 0.322 -4.403 1.442 1.00 0.00 C ATOM 677 O TRP A 44 0.918 -3.576 0.753 1.00 0.00 O ATOM 678 CB TRP A 44 -1.363 -3.194 2.831 1.00 0.00 C ATOM 679 CG TRP A 44 -2.013 -2.992 4.170 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.696 -3.608 5.348 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.103 -2.111 4.459 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.519 -3.159 6.352 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.392 -2.240 5.831 1.00 0.00 C ATOM 684 CE3 TRP A 44 -3.861 -1.224 3.690 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.407 -1.513 6.448 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -4.869 -0.504 4.303 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.134 -0.652 5.670 1.00 0.00 C ATOM 0 H TRP A 44 1.252 -2.498 3.169 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.331 -4.990 3.399 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.104 -2.220 2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.087 -3.647 2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.913 -4.341 5.472 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.486 -3.460 7.326 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.663 -1.103 2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.613 -1.624 7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.462 0.184 3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.928 -0.075 6.120 1.00 0.00 H new ATOM 698 N GLU A 45 0.016 -5.619 1.009 1.00 0.00 N ATOM 699 CA GLU A 45 0.361 -6.063 -0.338 1.00 0.00 C ATOM 700 C GLU A 45 -0.875 -6.079 -1.233 1.00 0.00 C ATOM 701 O GLU A 45 -1.963 -6.456 -0.797 1.00 0.00 O ATOM 702 CB GLU A 45 0.990 -7.457 -0.294 1.00 0.00 C ATOM 703 CG GLU A 45 1.422 -7.975 -1.655 1.00 0.00 C ATOM 704 CD GLU A 45 2.074 -9.340 -1.579 1.00 0.00 C ATOM 705 OE1 GLU A 45 1.338 -10.348 -1.526 1.00 0.00 O ATOM 706 OE2 GLU A 45 3.321 -9.403 -1.574 1.00 0.00 O ATOM 0 H GLU A 45 -0.471 -6.317 1.571 1.00 0.00 H new ATOM 0 HA GLU A 45 1.084 -5.361 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.856 -7.435 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.275 -8.155 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.554 -8.027 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.119 -7.268 -2.104 1.00 0.00 H new ATOM 713 N GLY A 46 -0.698 -5.668 -2.485 1.00 0.00 N ATOM 714 CA GLY A 46 -1.808 -5.641 -3.419 1.00 0.00 C ATOM 715 C GLY A 46 -1.355 -5.739 -4.862 1.00 0.00 C ATOM 716 O GLY A 46 -0.220 -6.128 -5.137 1.00 0.00 O ATOM 0 H GLY A 46 0.193 -5.354 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.485 -6.466 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.373 -4.719 -3.281 1.00 0.00 H new ATOM 720 N THR A 47 -2.244 -5.384 -5.785 1.00 0.00 N ATOM 721 CA THR A 47 -1.929 -5.437 -7.208 1.00 0.00 C ATOM 722 C THR A 47 -2.342 -4.150 -7.918 1.00 0.00 C ATOM 723 O THR A 47 -3.309 -3.495 -7.527 1.00 0.00 O ATOM 724 CB THR A 47 -2.622 -6.634 -7.888 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.222 -7.855 -7.254 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.277 -6.693 -9.370 1.00 0.00 C ATOM 0 H THR A 47 -3.187 -5.057 -5.573 1.00 0.00 H new ATOM 0 HA THR A 47 -0.848 -5.555 -7.288 1.00 0.00 H new ATOM 0 HB THR A 47 -3.700 -6.505 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.667 -8.611 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.778 -7.546 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.607 -5.775 -9.857 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.199 -6.800 -9.489 1.00 0.00 H new ATOM 734 N LEU A 48 -1.601 -3.798 -8.965 1.00 0.00 N ATOM 735 CA LEU A 48 -1.884 -2.596 -9.742 1.00 0.00 C ATOM 736 C LEU A 48 -1.468 -2.791 -11.198 1.00 0.00 C ATOM 737 O LEU A 48 -0.695 -3.696 -11.514 1.00 0.00 O ATOM 738 CB LEU A 48 -1.158 -1.388 -9.141 1.00 0.00 C ATOM 739 CG LEU A 48 -1.530 -0.035 -9.753 1.00 0.00 C ATOM 740 CD1 LEU A 48 -3.015 0.239 -9.584 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.709 1.080 -9.124 1.00 0.00 C ATOM 0 H LEU A 48 -0.797 -4.331 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.957 -2.410 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.365 -1.355 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.084 -1.537 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.306 -0.069 -10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.259 1.205 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.588 -0.543 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.264 0.252 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.987 2.034 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.901 1.113 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.351 0.894 -9.297 1.00 0.00 H new ATOM 753 N ASN A 49 -1.988 -1.941 -12.080 1.00 0.00 N ATOM 754 CA ASN A 49 -1.680 -2.022 -13.505 1.00 0.00 C ATOM 755 C ASN A 49 -0.172 -2.040 -13.755 1.00 0.00 C ATOM 756 O ASN A 49 0.487 -1.001 -13.711 1.00 0.00 O ATOM 757 CB ASN A 49 -2.315 -0.850 -14.255 1.00 0.00 C ATOM 758 CG ASN A 49 -3.827 -0.836 -14.133 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.460 -1.884 -14.007 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.413 0.354 -14.172 1.00 0.00 N ATOM 0 H ASN A 49 -2.627 -1.186 -11.831 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.096 -2.958 -13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.913 0.086 -13.867 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.039 -0.904 -15.308 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.428 0.426 -14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.849 1.197 -14.278 1.00 0.00 H new ATOM 767 N GLY A 50 0.364 -3.230 -14.013 1.00 0.00 N ATOM 768 CA GLY A 50 1.786 -3.369 -14.282 1.00 0.00 C ATOM 769 C GLY A 50 2.641 -3.313 -13.029 1.00 0.00 C ATOM 770 O GLY A 50 3.817 -3.678 -13.062 1.00 0.00 O ATOM 0 H GLY A 50 -0.162 -4.103 -14.041 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.962 -4.316 -14.792 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.099 -2.578 -14.963 1.00 0.00 H new ATOM 774 N ARG A 51 2.058 -2.858 -11.927 1.00 0.00 N ATOM 775 CA ARG A 51 2.788 -2.754 -10.668 1.00 0.00 C ATOM 776 C ARG A 51 2.192 -3.674 -9.608 1.00 0.00 C ATOM 777 O ARG A 51 1.025 -3.545 -9.245 1.00 0.00 O ATOM 778 CB ARG A 51 2.782 -1.307 -10.172 1.00 0.00 C ATOM 779 CG ARG A 51 3.431 -0.333 -11.142 1.00 0.00 C ATOM 780 CD ARG A 51 3.341 1.100 -10.642 1.00 0.00 C ATOM 781 NE ARG A 51 3.962 2.042 -11.569 1.00 0.00 N ATOM 782 CZ ARG A 51 3.881 3.364 -11.444 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.208 3.898 -10.434 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.475 4.153 -12.329 1.00 0.00 N ATOM 0 H ARG A 51 1.085 -2.556 -11.878 1.00 0.00 H new ATOM 0 HA ARG A 51 3.817 -3.066 -10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.753 -0.997 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.302 -1.257 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.477 -0.604 -11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.946 -0.410 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.295 1.369 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.826 1.176 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 51 4.488 1.665 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.751 3.295 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.148 4.912 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.995 3.746 -13.107 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.412 5.166 -12.232 1.00 0.00 H new ATOM 798 N THR A 52 3.005 -4.602 -9.114 1.00 0.00 N ATOM 799 CA THR A 52 2.560 -5.547 -8.096 1.00 0.00 C ATOM 800 C THR A 52 3.621 -5.723 -7.014 1.00 0.00 C ATOM 801 O THR A 52 4.803 -5.899 -7.313 1.00 0.00 O ATOM 802 CB THR A 52 2.233 -6.920 -8.712 1.00 0.00 C ATOM 803 OG1 THR A 52 1.257 -6.771 -9.751 1.00 0.00 O ATOM 804 CG2 THR A 52 1.709 -7.882 -7.654 1.00 0.00 C ATOM 0 H THR A 52 3.976 -4.720 -9.402 1.00 0.00 H new ATOM 0 HA THR A 52 1.655 -5.135 -7.650 1.00 0.00 H new ATOM 0 HB THR A 52 3.152 -7.331 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.055 -7.648 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.486 -8.844 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.464 -8.018 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.802 -7.474 -7.209 1.00 0.00 H new ATOM 812 N GLY A 53 3.192 -5.673 -5.756 1.00 0.00 N ATOM 813 CA GLY A 53 4.119 -5.829 -4.649 1.00 0.00 C ATOM 814 C GLY A 53 3.606 -5.206 -3.366 1.00 0.00 C ATOM 815 O GLY A 53 2.426 -4.869 -3.257 1.00 0.00 O ATOM 0 H GLY A 53 2.220 -5.527 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.306 -6.890 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.074 -5.374 -4.913 1.00 0.00 H new ATOM 819 N TRP A 54 4.496 -5.053 -2.390 1.00 0.00 N ATOM 820 CA TRP A 54 4.134 -4.470 -1.103 1.00 0.00 C ATOM 821 C TRP A 54 4.117 -2.945 -1.173 1.00 0.00 C ATOM 822 O TRP A 54 4.822 -2.342 -1.982 1.00 0.00 O ATOM 823 CB TRP A 54 5.117 -4.927 -0.023 1.00 0.00 C ATOM 824 CG TRP A 54 5.034 -6.393 0.278 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.691 -7.402 -0.366 1.00 0.00 C ATOM 826 CD2 TRP A 54 4.248 -7.013 1.302 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.360 -8.612 0.194 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.476 -8.400 1.221 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.374 -6.530 2.280 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.860 -9.308 2.080 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.763 -7.432 3.132 1.00 0.00 C ATOM 832 CH2 TRP A 54 3.009 -8.806 3.028 1.00 0.00 C ATOM 0 H TRP A 54 5.476 -5.326 -2.467 1.00 0.00 H new ATOM 0 HA TRP A 54 3.131 -4.813 -0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.131 -4.686 -0.341 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.927 -4.365 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.371 -7.268 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.714 -9.520 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.179 -5.471 2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.047 -10.369 2.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.085 -7.070 3.890 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.517 -9.484 3.710 1.00 0.00 H new ATOM 843 N PHE A 55 3.303 -2.330 -0.318 1.00 0.00 N ATOM 844 CA PHE A 55 3.197 -0.876 -0.267 1.00 0.00 C ATOM 845 C PHE A 55 2.815 -0.416 1.143 1.00 0.00 C ATOM 846 O PHE A 55 2.044 -1.088 1.829 1.00 0.00 O ATOM 847 CB PHE A 55 2.168 -0.372 -1.286 1.00 0.00 C ATOM 848 CG PHE A 55 0.791 -0.943 -1.098 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.104 -0.356 -0.217 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.391 -2.066 -1.803 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.371 -0.878 -0.042 1.00 0.00 C ATOM 852 CE2 PHE A 55 -0.875 -2.592 -1.633 1.00 0.00 C ATOM 853 CZ PHE A 55 -1.757 -1.999 -0.751 1.00 0.00 C ATOM 0 H PHE A 55 2.706 -2.818 0.350 1.00 0.00 H new ATOM 0 HA PHE A 55 4.170 -0.454 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.111 0.715 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.517 -0.615 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.193 0.521 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.076 -2.536 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.058 -0.411 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.175 -3.467 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.746 -2.411 -0.616 1.00 0.00 H new ATOM 863 N PRO A 56 3.353 0.734 1.597 1.00 0.00 N ATOM 864 CA PRO A 56 3.058 1.268 2.934 1.00 0.00 C ATOM 865 C PRO A 56 1.565 1.497 3.150 1.00 0.00 C ATOM 866 O PRO A 56 0.792 1.536 2.195 1.00 0.00 O ATOM 867 CB PRO A 56 3.813 2.600 2.972 1.00 0.00 C ATOM 868 CG PRO A 56 4.873 2.468 1.933 1.00 0.00 C ATOM 869 CD PRO A 56 4.284 1.603 0.856 1.00 0.00 C ATOM 0 HA PRO A 56 3.359 0.575 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.149 3.437 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.245 2.782 3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.158 3.443 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.774 2.016 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.768 2.195 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.050 1.025 0.339 1.00 0.00 H new ATOM 877 N SER A 57 1.168 1.649 4.411 1.00 0.00 N ATOM 878 CA SER A 57 -0.232 1.875 4.749 1.00 0.00 C ATOM 879 C SER A 57 -0.476 3.334 5.125 1.00 0.00 C ATOM 880 O SER A 57 -1.611 3.811 5.095 1.00 0.00 O ATOM 881 CB SER A 57 -0.656 0.964 5.903 1.00 0.00 C ATOM 882 OG SER A 57 0.091 1.242 7.074 1.00 0.00 O ATOM 0 H SER A 57 1.796 1.620 5.214 1.00 0.00 H new ATOM 0 HA SER A 57 -0.831 1.640 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.719 1.099 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.516 -0.079 5.618 1.00 0.00 H new ATOM 0 HG SER A 57 -0.200 0.648 7.797 1.00 0.00 H new ATOM 888 N ASN A 58 0.596 4.037 5.477 1.00 0.00 N ATOM 889 CA ASN A 58 0.497 5.442 5.860 1.00 0.00 C ATOM 890 C ASN A 58 0.512 6.353 4.636 1.00 0.00 C ATOM 891 O ASN A 58 0.086 7.506 4.705 1.00 0.00 O ATOM 892 CB ASN A 58 1.642 5.819 6.800 1.00 0.00 C ATOM 893 CG ASN A 58 1.549 5.116 8.140 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.462 4.759 8.593 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.693 4.917 8.784 1.00 0.00 N ATOM 0 H ASN A 58 1.542 3.658 5.505 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.453 5.579 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.592 5.570 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.638 6.897 6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.693 4.452 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.572 5.230 8.371 1.00 0.00 H new ATOM 902 N TYR A 59 1.004 5.832 3.515 1.00 0.00 N ATOM 903 CA TYR A 59 1.067 6.605 2.279 1.00 0.00 C ATOM 904 C TYR A 59 -0.176 6.371 1.427 1.00 0.00 C ATOM 905 O TYR A 59 -0.304 6.921 0.333 1.00 0.00 O ATOM 906 CB TYR A 59 2.325 6.245 1.486 1.00 0.00 C ATOM 907 CG TYR A 59 3.505 7.150 1.771 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.897 7.426 3.076 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.222 7.732 0.734 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.971 8.256 3.337 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.297 8.562 0.988 1.00 0.00 C ATOM 912 CZ TYR A 59 5.667 8.821 2.290 1.00 0.00 C ATOM 913 OH TYR A 59 6.737 9.646 2.547 1.00 0.00 O ATOM 0 H TYR A 59 1.364 4.881 3.437 1.00 0.00 H new ATOM 0 HA TYR A 59 1.108 7.662 2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.605 5.216 1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.096 6.286 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.354 6.985 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.935 7.533 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.263 8.461 4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.845 9.006 0.170 1.00 0.00 H new ATOM 0 HH TYR A 59 7.118 9.960 1.701 1.00 0.00 H new ATOM 923 N VAL A 60 -1.084 5.548 1.936 1.00 0.00 N ATOM 924 CA VAL A 60 -2.322 5.242 1.232 1.00 0.00 C ATOM 925 C VAL A 60 -3.523 5.351 2.168 1.00 0.00 C ATOM 926 O VAL A 60 -3.379 5.258 3.387 1.00 0.00 O ATOM 927 CB VAL A 60 -2.282 3.832 0.612 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.287 3.784 -0.538 1.00 0.00 C ATOM 929 CG2 VAL A 60 -1.936 2.793 1.669 1.00 0.00 C ATOM 0 H VAL A 60 -0.985 5.079 2.837 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.425 5.974 0.431 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.271 3.600 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.272 2.781 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.583 4.500 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.293 4.037 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.912 1.803 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.959 3.019 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.689 2.811 2.457 1.00 0.00 H new ATOM 939 N ARG A 61 -4.706 5.546 1.593 1.00 0.00 N ATOM 940 CA ARG A 61 -5.928 5.673 2.384 1.00 0.00 C ATOM 941 C ARG A 61 -7.064 4.860 1.770 1.00 0.00 C ATOM 942 O ARG A 61 -7.307 4.927 0.565 1.00 0.00 O ATOM 943 CB ARG A 61 -6.339 7.143 2.492 1.00 0.00 C ATOM 944 CG ARG A 61 -6.607 7.801 1.147 1.00 0.00 C ATOM 945 CD ARG A 61 -6.937 9.277 1.302 1.00 0.00 C ATOM 946 NE ARG A 61 -8.111 9.493 2.142 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.777 10.643 2.199 1.00 0.00 C ATOM 948 NH1 ARG A 61 -8.388 11.677 1.464 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.835 10.760 2.989 1.00 0.00 N ATOM 0 H ARG A 61 -4.845 5.619 0.585 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.726 5.283 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.235 7.217 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.552 7.695 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.733 7.688 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.434 7.293 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.082 9.795 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.110 9.714 0.319 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.439 8.718 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.576 11.591 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.901 12.557 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.139 9.967 3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.345 11.643 3.032 1.00 0.00 H new ATOM 963 N GLU A 62 -7.751 4.088 2.608 1.00 0.00 N ATOM 964 CA GLU A 62 -8.863 3.261 2.153 1.00 0.00 C ATOM 965 C GLU A 62 -9.897 4.102 1.409 1.00 0.00 C ATOM 966 O GLU A 62 -10.593 4.920 2.010 1.00 0.00 O ATOM 967 CB GLU A 62 -9.519 2.554 3.340 1.00 0.00 C ATOM 968 CG GLU A 62 -10.636 1.604 2.943 1.00 0.00 C ATOM 969 CD GLU A 62 -11.274 0.922 4.138 1.00 0.00 C ATOM 970 OE1 GLU A 62 -10.748 -0.121 4.577 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.300 1.433 4.634 1.00 0.00 O ATOM 0 H GLU A 62 -7.556 4.018 3.607 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.470 2.511 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.757 1.997 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.917 3.304 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.399 2.156 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.241 0.847 2.266 1.00 0.00 H new ATOM 978 N VAL A 63 -9.988 3.896 0.100 1.00 0.00 N ATOM 979 CA VAL A 63 -10.934 4.634 -0.726 1.00 0.00 C ATOM 980 C VAL A 63 -12.186 3.802 -0.995 1.00 0.00 C ATOM 981 O VAL A 63 -12.127 2.573 -1.033 1.00 0.00 O ATOM 982 CB VAL A 63 -10.297 5.054 -2.068 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.968 3.835 -2.915 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.211 6.007 -2.822 1.00 0.00 C ATOM 0 H VAL A 63 -9.417 3.223 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.213 5.532 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.365 5.577 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.520 4.156 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.266 3.197 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.882 3.277 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.743 6.291 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.163 5.516 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.383 6.899 -2.220 1.00 0.00 H new