USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 412 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 44 THR OG1 : rot -130:sc= -0.711 USER MOD Set 1.2: A 53 THR OG1 : rot 140:sc= -0.122 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.446 K(o=-0.44,f=-2.9!) USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= 0.00664 USER MOD Set 3.1: A 4 LYS NZ :NH3+ -175:sc= 0.0226 (180deg=-0.00918) USER MOD Set 3.2: A 51 THR OG1 : rot -64:sc= -3.25! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 90:sc= -0.279 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.994 K(o=-0.99,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= 0.045 K(o=0.045,f=-0.73) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 49 THR OG1 : rot -55:sc= 0.958 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.721 2.221 2.890 1.00 0.00 N ATOM 32 CA PHE A 3 7.691 2.532 1.853 1.00 0.00 C ATOM 33 C PHE A 3 6.389 2.977 2.525 1.00 0.00 C ATOM 34 O PHE A 3 6.232 2.855 3.724 1.00 0.00 O ATOM 35 CB PHE A 3 7.493 1.223 1.085 1.00 0.00 C ATOM 36 CG PHE A 3 8.791 0.840 0.410 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.419 1.741 -0.459 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.368 -0.414 0.656 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.623 1.390 -1.081 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.571 -0.764 0.033 1.00 0.00 C ATOM 41 CZ PHE A 3 11.199 0.138 -0.835 1.00 0.00 C ATOM 0 HA PHE A 3 7.996 3.343 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.176 0.433 1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.704 1.339 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.974 2.707 -0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.884 -1.109 1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.108 2.085 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.015 -1.730 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.128 -0.132 -1.315 1.00 0.00 H new ATOM 51 N LYS A 4 5.461 3.502 1.763 1.00 0.00 N ATOM 52 CA LYS A 4 4.172 3.968 2.362 1.00 0.00 C ATOM 53 C LYS A 4 2.988 3.585 1.470 1.00 0.00 C ATOM 54 O LYS A 4 3.108 3.511 0.264 1.00 0.00 O ATOM 55 CB LYS A 4 4.303 5.491 2.432 1.00 0.00 C ATOM 56 CG LYS A 4 3.368 6.042 3.510 1.00 0.00 C ATOM 57 CD LYS A 4 3.254 7.562 3.361 1.00 0.00 C ATOM 58 CE LYS A 4 1.921 7.916 2.696 1.00 0.00 C ATOM 59 NZ LYS A 4 2.159 9.230 2.034 1.00 0.00 N ATOM 0 H LYS A 4 5.540 3.628 0.754 1.00 0.00 H new ATOM 0 HA LYS A 4 3.991 3.517 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.334 5.767 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.058 5.931 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.383 5.583 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.749 5.791 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.322 8.039 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.082 7.942 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.627 7.156 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.119 7.983 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.268 9.580 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.512 9.913 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.863 9.115 1.277 1.00 0.00 H new ATOM 73 N LEU A 5 1.841 3.361 2.062 1.00 0.00 N ATOM 74 CA LEU A 5 0.629 3.006 1.263 1.00 0.00 C ATOM 75 C LEU A 5 -0.623 3.527 1.972 1.00 0.00 C ATOM 76 O LEU A 5 -0.789 3.349 3.164 1.00 0.00 O ATOM 77 CB LEU A 5 0.602 1.474 1.192 1.00 0.00 C ATOM 78 CG LEU A 5 -0.109 1.027 -0.100 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.733 -0.029 -0.827 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.479 0.434 0.246 1.00 0.00 C ATOM 0 H LEU A 5 1.692 3.409 3.070 1.00 0.00 H new ATOM 0 HA LEU A 5 0.655 3.447 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.619 1.081 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.085 1.069 2.062 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.237 1.892 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.221 -0.338 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.705 0.393 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.872 -0.894 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.980 0.118 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.348 -0.426 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.085 1.187 0.750 1.00 0.00 H new ATOM 92 N ILE A 6 -1.497 4.172 1.248 1.00 0.00 N ATOM 93 CA ILE A 6 -2.740 4.716 1.869 1.00 0.00 C ATOM 94 C ILE A 6 -3.939 3.834 1.506 1.00 0.00 C ATOM 95 O ILE A 6 -4.192 3.561 0.348 1.00 0.00 O ATOM 96 CB ILE A 6 -2.875 6.122 1.271 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.704 6.992 1.758 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.209 6.761 1.686 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.745 7.135 3.283 1.00 0.00 C ATOM 0 H ILE A 6 -1.403 4.347 0.247 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.701 4.741 2.958 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.854 6.050 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.758 6.544 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.755 7.976 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.286 7.758 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.034 6.145 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.255 6.834 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.910 7.753 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.683 7.604 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.671 6.150 3.743 1.00 0.00 H new ATOM 111 N ILE A 7 -4.674 3.390 2.493 1.00 0.00 N ATOM 112 CA ILE A 7 -5.859 2.523 2.220 1.00 0.00 C ATOM 113 C ILE A 7 -7.041 3.377 1.753 1.00 0.00 C ATOM 114 O ILE A 7 -7.624 4.116 2.524 1.00 0.00 O ATOM 115 CB ILE A 7 -6.186 1.841 3.554 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.962 1.067 4.057 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.348 0.865 3.355 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.208 0.597 5.492 1.00 0.00 C ATOM 0 H ILE A 7 -4.504 3.591 3.478 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.658 1.795 1.435 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.461 2.601 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.770 0.211 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.076 1.701 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.582 0.379 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.223 1.409 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.068 0.110 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.337 0.047 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.379 1.461 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.083 -0.052 5.517 1.00 0.00 H new ATOM 130 N ASN A 8 -7.397 3.278 0.498 1.00 0.00 N ATOM 131 CA ASN A 8 -8.545 4.077 -0.025 1.00 0.00 C ATOM 132 C ASN A 8 -9.794 3.199 -0.113 1.00 0.00 C ATOM 133 O ASN A 8 -10.444 3.127 -1.139 1.00 0.00 O ATOM 134 CB ASN A 8 -8.111 4.542 -1.417 1.00 0.00 C ATOM 135 CG ASN A 8 -7.215 5.781 -1.298 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.800 6.151 -0.216 1.00 0.00 O ATOM 137 ND2 ASN A 8 -6.896 6.444 -2.376 1.00 0.00 N ATOM 0 H ASN A 8 -6.941 2.677 -0.188 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.792 4.920 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.574 3.742 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.987 4.773 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.301 7.269 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.242 6.137 -3.285 1.00 0.00 H new ATOM 144 N GLY A 9 -10.129 2.533 0.961 1.00 0.00 N ATOM 145 CA GLY A 9 -11.334 1.653 0.959 1.00 0.00 C ATOM 146 C GLY A 9 -12.567 2.480 1.321 1.00 0.00 C ATOM 147 O GLY A 9 -12.494 3.407 2.105 1.00 0.00 O ATOM 0 H GLY A 9 -9.617 2.561 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.464 1.197 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.205 0.840 1.673 1.00 0.00 H new ATOM 151 N LYS A 10 -13.700 2.153 0.751 1.00 0.00 N ATOM 152 CA LYS A 10 -14.950 2.918 1.048 1.00 0.00 C ATOM 153 C LYS A 10 -15.231 2.937 2.556 1.00 0.00 C ATOM 154 O LYS A 10 -15.565 3.962 3.119 1.00 0.00 O ATOM 155 CB LYS A 10 -16.064 2.175 0.307 1.00 0.00 C ATOM 156 CG LYS A 10 -15.781 2.196 -1.196 1.00 0.00 C ATOM 157 CD LYS A 10 -17.076 1.923 -1.964 1.00 0.00 C ATOM 158 CE LYS A 10 -17.043 2.665 -3.302 1.00 0.00 C ATOM 159 NZ LYS A 10 -16.339 1.742 -4.236 1.00 0.00 N ATOM 0 H LYS A 10 -13.813 1.385 0.089 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.871 3.958 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.127 1.146 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.027 2.643 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.371 3.163 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.032 1.445 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.192 0.852 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.935 2.248 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.050 2.890 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.516 3.615 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.277 2.181 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.381 1.551 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.867 0.849 -4.305 1.00 0.00 H new ATOM 173 N THR A 11 -15.101 1.809 3.207 1.00 0.00 N ATOM 174 CA THR A 11 -15.362 1.746 4.673 1.00 0.00 C ATOM 175 C THR A 11 -14.044 1.796 5.453 1.00 0.00 C ATOM 176 O THR A 11 -13.944 2.453 6.472 1.00 0.00 O ATOM 177 CB THR A 11 -16.067 0.403 4.900 1.00 0.00 C ATOM 178 OG1 THR A 11 -15.660 -0.542 3.915 1.00 0.00 O ATOM 179 CG2 THR A 11 -17.582 0.600 4.826 1.00 0.00 C ATOM 0 H THR A 11 -14.823 0.925 2.781 1.00 0.00 H new ATOM 0 HA THR A 11 -15.966 2.586 5.016 1.00 0.00 H new ATOM 0 HB THR A 11 -15.795 0.025 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.116 -1.395 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.081 -0.355 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.895 1.307 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.851 0.988 3.844 1.00 0.00 H new ATOM 187 N LEU A 12 -13.038 1.102 4.984 1.00 0.00 N ATOM 188 CA LEU A 12 -11.725 1.100 5.698 1.00 0.00 C ATOM 189 C LEU A 12 -10.774 2.129 5.079 1.00 0.00 C ATOM 190 O LEU A 12 -10.708 2.279 3.873 1.00 0.00 O ATOM 191 CB LEU A 12 -11.176 -0.315 5.512 1.00 0.00 C ATOM 192 CG LEU A 12 -12.070 -1.312 6.252 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.050 -2.656 5.522 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.550 -1.500 7.679 1.00 0.00 C ATOM 0 H LEU A 12 -13.069 0.536 4.136 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.831 1.364 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.136 -0.564 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.156 -0.373 5.892 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.091 -0.931 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.687 -3.366 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.419 -2.523 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.030 -3.038 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.186 -2.210 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.529 -1.881 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.564 -0.543 8.200 1.00 0.00 H new ATOM 206 N LYS A 13 -10.037 2.833 5.900 1.00 0.00 N ATOM 207 CA LYS A 13 -9.082 3.855 5.374 1.00 0.00 C ATOM 208 C LYS A 13 -7.913 4.033 6.349 1.00 0.00 C ATOM 209 O LYS A 13 -7.915 3.484 7.435 1.00 0.00 O ATOM 210 CB LYS A 13 -9.896 5.146 5.275 1.00 0.00 C ATOM 211 CG LYS A 13 -10.979 4.990 4.206 1.00 0.00 C ATOM 212 CD LYS A 13 -11.537 6.367 3.838 1.00 0.00 C ATOM 213 CE LYS A 13 -13.030 6.247 3.521 1.00 0.00 C ATOM 214 NZ LYS A 13 -13.364 7.489 2.770 1.00 0.00 N ATOM 0 H LYS A 13 -10.056 2.744 6.916 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.657 3.567 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.352 5.375 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.242 5.982 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.565 4.506 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.779 4.349 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.385 7.065 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.003 6.769 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.237 5.358 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.622 6.165 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.373 7.481 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.163 8.319 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.790 7.536 1.904 1.00 0.00 H new ATOM 228 N GLY A 14 -6.919 4.798 5.970 1.00 0.00 N ATOM 229 CA GLY A 14 -5.753 5.017 6.872 1.00 0.00 C ATOM 230 C GLY A 14 -4.457 4.996 6.058 1.00 0.00 C ATOM 231 O GLY A 14 -4.451 5.282 4.876 1.00 0.00 O ATOM 0 H GLY A 14 -6.867 5.280 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.854 5.972 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.724 4.243 7.639 1.00 0.00 H new ATOM 235 N GLU A 15 -3.360 4.659 6.689 1.00 0.00 N ATOM 236 CA GLU A 15 -2.053 4.615 5.965 1.00 0.00 C ATOM 237 C GLU A 15 -1.176 3.489 6.524 1.00 0.00 C ATOM 238 O GLU A 15 -1.440 2.960 7.587 1.00 0.00 O ATOM 239 CB GLU A 15 -1.408 5.984 6.216 1.00 0.00 C ATOM 240 CG GLU A 15 -1.216 6.212 7.721 1.00 0.00 C ATOM 241 CD GLU A 15 0.207 5.814 8.121 1.00 0.00 C ATOM 242 OE1 GLU A 15 1.135 6.418 7.609 1.00 0.00 O ATOM 243 OE2 GLU A 15 0.343 4.914 8.933 1.00 0.00 O ATOM 0 H GLU A 15 -3.314 4.412 7.677 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.177 4.418 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.446 6.040 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.035 6.772 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.395 7.259 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.941 5.624 8.284 1.00 0.00 H new ATOM 250 N THR A 16 -0.135 3.123 5.816 1.00 0.00 N ATOM 251 CA THR A 16 0.760 2.030 6.311 1.00 0.00 C ATOM 252 C THR A 16 2.128 2.096 5.625 1.00 0.00 C ATOM 253 O THR A 16 2.253 2.574 4.513 1.00 0.00 O ATOM 254 CB THR A 16 0.040 0.723 5.955 1.00 0.00 C ATOM 255 OG1 THR A 16 0.836 -0.378 6.370 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.192 0.643 4.443 1.00 0.00 C ATOM 0 H THR A 16 0.133 3.532 4.921 1.00 0.00 H new ATOM 0 HA THR A 16 0.945 2.113 7.382 1.00 0.00 H new ATOM 0 HB THR A 16 -0.924 0.696 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.379 -1.215 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.704 -0.289 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.804 1.486 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.767 0.675 3.926 1.00 0.00 H new ATOM 264 N THR A 17 3.150 1.612 6.284 1.00 0.00 N ATOM 265 CA THR A 17 4.518 1.634 5.684 1.00 0.00 C ATOM 266 C THR A 17 5.247 0.325 5.986 1.00 0.00 C ATOM 267 O THR A 17 4.915 -0.374 6.926 1.00 0.00 O ATOM 268 CB THR A 17 5.244 2.797 6.364 1.00 0.00 C ATOM 269 OG1 THR A 17 5.322 2.548 7.760 1.00 0.00 O ATOM 270 CG2 THR A 17 4.488 4.105 6.120 1.00 0.00 C ATOM 0 H THR A 17 3.095 1.201 7.216 1.00 0.00 H new ATOM 0 HA THR A 17 4.481 1.749 4.601 1.00 0.00 H new ATOM 0 HB THR A 17 6.247 2.885 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.788 3.290 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.014 4.926 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.430 4.298 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.481 4.025 6.529 1.00 0.00 H new ATOM 278 N THR A 18 6.241 -0.006 5.203 1.00 0.00 N ATOM 279 CA THR A 18 6.999 -1.259 5.444 1.00 0.00 C ATOM 280 C THR A 18 8.489 -1.022 5.122 1.00 0.00 C ATOM 281 O THR A 18 8.856 -0.021 4.537 1.00 0.00 O ATOM 282 CB THR A 18 6.319 -2.303 4.513 1.00 0.00 C ATOM 283 OG1 THR A 18 5.578 -3.214 5.321 1.00 0.00 O ATOM 284 CG2 THR A 18 7.349 -3.084 3.687 1.00 0.00 C ATOM 0 H THR A 18 6.558 0.544 4.404 1.00 0.00 H new ATOM 0 HA THR A 18 6.980 -1.607 6.477 1.00 0.00 H new ATOM 0 HB THR A 18 5.666 -1.774 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.665 -2.878 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.834 -3.803 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.918 -2.392 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.027 -3.613 4.357 1.00 0.00 H new ATOM 292 N GLU A 19 9.332 -1.950 5.491 1.00 0.00 N ATOM 293 CA GLU A 19 10.789 -1.810 5.204 1.00 0.00 C ATOM 294 C GLU A 19 11.271 -3.028 4.413 1.00 0.00 C ATOM 295 O GLU A 19 11.230 -4.144 4.896 1.00 0.00 O ATOM 296 CB GLU A 19 11.463 -1.757 6.574 1.00 0.00 C ATOM 297 CG GLU A 19 12.967 -1.536 6.394 1.00 0.00 C ATOM 298 CD GLU A 19 13.729 -2.289 7.487 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.256 -2.300 8.611 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.773 -2.841 7.180 1.00 0.00 O ATOM 0 H GLU A 19 9.071 -2.805 5.982 1.00 0.00 H new ATOM 0 HA GLU A 19 11.018 -0.924 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.035 -0.952 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.283 -2.686 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.281 -1.885 5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.197 -0.472 6.443 1.00 0.00 H new ATOM 307 N ALA A 20 11.713 -2.824 3.198 1.00 0.00 N ATOM 308 CA ALA A 20 12.183 -3.975 2.369 1.00 0.00 C ATOM 309 C ALA A 20 13.223 -3.516 1.344 1.00 0.00 C ATOM 310 O ALA A 20 13.519 -2.342 1.226 1.00 0.00 O ATOM 311 CB ALA A 20 10.926 -4.479 1.661 1.00 0.00 C ATOM 0 H ALA A 20 11.769 -1.912 2.745 1.00 0.00 H new ATOM 0 HA ALA A 20 12.660 -4.747 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.181 -5.329 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.190 -4.788 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.509 -3.681 1.047 1.00 0.00 H new ATOM 317 N VAL A 21 13.777 -4.442 0.602 1.00 0.00 N ATOM 318 CA VAL A 21 14.804 -4.080 -0.425 1.00 0.00 C ATOM 319 C VAL A 21 14.222 -3.085 -1.437 1.00 0.00 C ATOM 320 O VAL A 21 14.881 -2.151 -1.853 1.00 0.00 O ATOM 321 CB VAL A 21 15.178 -5.400 -1.115 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.761 -6.369 -0.084 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.936 -6.033 -1.760 1.00 0.00 C ATOM 0 H VAL A 21 13.562 -5.437 0.663 1.00 0.00 H new ATOM 0 HA VAL A 21 15.674 -3.601 0.023 1.00 0.00 H new ATOM 0 HB VAL A 21 15.917 -5.195 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.026 -7.306 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.652 -5.930 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.021 -6.563 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.215 -6.968 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.189 -6.232 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.522 -5.349 -2.501 1.00 0.00 H new ATOM 333 N ASP A 22 12.990 -3.282 -1.830 1.00 0.00 N ATOM 334 CA ASP A 22 12.346 -2.358 -2.810 1.00 0.00 C ATOM 335 C ASP A 22 10.838 -2.310 -2.556 1.00 0.00 C ATOM 336 O ASP A 22 10.286 -3.179 -1.908 1.00 0.00 O ATOM 337 CB ASP A 22 12.635 -2.960 -4.189 1.00 0.00 C ATOM 338 CG ASP A 22 14.146 -3.030 -4.419 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.748 -1.983 -4.595 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.676 -4.129 -4.416 1.00 0.00 O ATOM 0 H ASP A 22 12.398 -4.049 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 22 12.726 -1.340 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.201 -3.957 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.168 -2.354 -4.965 1.00 0.00 H new ATOM 345 N ALA A 23 10.171 -1.305 -3.062 1.00 0.00 N ATOM 346 CA ALA A 23 8.694 -1.205 -2.849 1.00 0.00 C ATOM 347 C ALA A 23 7.991 -2.403 -3.488 1.00 0.00 C ATOM 348 O ALA A 23 6.936 -2.819 -3.047 1.00 0.00 O ATOM 349 CB ALA A 23 8.271 0.097 -3.530 1.00 0.00 C ATOM 0 H ALA A 23 10.583 -0.551 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 23 8.430 -1.206 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.196 0.236 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.797 0.935 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.518 0.050 -4.591 1.00 0.00 H new ATOM 355 N ALA A 24 8.573 -2.968 -4.518 1.00 0.00 N ATOM 356 CA ALA A 24 7.944 -4.152 -5.181 1.00 0.00 C ATOM 357 C ALA A 24 7.812 -5.294 -4.171 1.00 0.00 C ATOM 358 O ALA A 24 6.779 -5.927 -4.067 1.00 0.00 O ATOM 359 CB ALA A 24 8.899 -4.541 -6.311 1.00 0.00 C ATOM 0 H ALA A 24 9.455 -2.661 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 24 6.946 -3.934 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.501 -5.405 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.003 -3.705 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.875 -4.790 -5.893 1.00 0.00 H new ATOM 365 N THR A 25 8.852 -5.547 -3.417 1.00 0.00 N ATOM 366 CA THR A 25 8.797 -6.636 -2.396 1.00 0.00 C ATOM 367 C THR A 25 7.825 -6.245 -1.276 1.00 0.00 C ATOM 368 O THR A 25 6.959 -7.016 -0.894 1.00 0.00 O ATOM 369 CB THR A 25 10.239 -6.764 -1.866 1.00 0.00 C ATOM 370 OG1 THR A 25 11.059 -7.329 -2.878 1.00 0.00 O ATOM 371 CG2 THR A 25 10.278 -7.662 -0.621 1.00 0.00 C ATOM 0 H THR A 25 9.739 -5.045 -3.465 1.00 0.00 H new ATOM 0 HA THR A 25 8.442 -7.581 -2.806 1.00 0.00 H new ATOM 0 HB THR A 25 10.605 -5.774 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.869 -7.703 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.304 -7.741 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.652 -7.229 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.906 -8.654 -0.876 1.00 0.00 H new ATOM 379 N ALA A 26 7.964 -5.054 -0.744 1.00 0.00 N ATOM 380 CA ALA A 26 7.053 -4.621 0.357 1.00 0.00 C ATOM 381 C ALA A 26 5.604 -4.648 -0.123 1.00 0.00 C ATOM 382 O ALA A 26 4.767 -5.306 0.456 1.00 0.00 O ATOM 383 CB ALA A 26 7.466 -3.188 0.705 1.00 0.00 C ATOM 0 H ALA A 26 8.665 -4.368 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 26 7.126 -5.280 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.833 -2.812 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.507 -3.178 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.352 -2.553 -0.174 1.00 0.00 H new ATOM 389 N GLU A 27 5.311 -3.929 -1.180 1.00 0.00 N ATOM 390 CA GLU A 27 3.911 -3.872 -1.725 1.00 0.00 C ATOM 391 C GLU A 27 3.235 -5.252 -1.735 1.00 0.00 C ATOM 392 O GLU A 27 2.048 -5.363 -1.487 1.00 0.00 O ATOM 393 CB GLU A 27 4.066 -3.339 -3.152 1.00 0.00 C ATOM 394 CG GLU A 27 2.686 -3.125 -3.777 1.00 0.00 C ATOM 395 CD GLU A 27 2.782 -3.293 -5.295 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.099 -4.387 -5.732 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.536 -2.324 -5.995 1.00 0.00 O ATOM 0 H GLU A 27 5.990 -3.371 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 27 3.274 -3.240 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.620 -2.400 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.642 -4.043 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.974 -3.840 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.315 -2.129 -3.533 1.00 0.00 H new ATOM 404 N LYS A 28 3.980 -6.303 -1.986 1.00 0.00 N ATOM 405 CA LYS A 28 3.368 -7.669 -1.969 1.00 0.00 C ATOM 406 C LYS A 28 2.869 -7.954 -0.553 1.00 0.00 C ATOM 407 O LYS A 28 1.763 -8.417 -0.351 1.00 0.00 O ATOM 408 CB LYS A 28 4.492 -8.635 -2.348 1.00 0.00 C ATOM 409 CG LYS A 28 5.016 -8.299 -3.746 1.00 0.00 C ATOM 410 CD LYS A 28 6.466 -8.770 -3.869 1.00 0.00 C ATOM 411 CE LYS A 28 6.496 -10.186 -4.449 1.00 0.00 C ATOM 412 NZ LYS A 28 7.939 -10.483 -4.665 1.00 0.00 N ATOM 0 H LYS A 28 4.977 -6.274 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 28 2.527 -7.766 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.301 -8.569 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.125 -9.661 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.399 -8.782 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.954 -7.225 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.027 -8.091 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.948 -8.756 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.044 -10.903 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.937 -10.242 -5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.041 -11.439 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.341 -9.789 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.444 -10.429 -3.757 1.00 0.00 H new ATOM 426 N VAL A 29 3.677 -7.637 0.426 1.00 0.00 N ATOM 427 CA VAL A 29 3.257 -7.840 1.845 1.00 0.00 C ATOM 428 C VAL A 29 2.125 -6.858 2.160 1.00 0.00 C ATOM 429 O VAL A 29 1.202 -7.176 2.886 1.00 0.00 O ATOM 430 CB VAL A 29 4.518 -7.537 2.681 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.156 -7.292 4.156 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.477 -8.727 2.591 1.00 0.00 C ATOM 0 H VAL A 29 4.611 -7.246 0.304 1.00 0.00 H new ATOM 0 HA VAL A 29 2.887 -8.844 2.054 1.00 0.00 H new ATOM 0 HB VAL A 29 4.989 -6.637 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.063 -7.081 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.477 -6.442 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.671 -8.179 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.371 -8.519 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.986 -9.620 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.758 -8.890 1.550 1.00 0.00 H new ATOM 442 N LEU A 30 2.196 -5.664 1.629 1.00 0.00 N ATOM 443 CA LEU A 30 1.125 -4.668 1.908 1.00 0.00 C ATOM 444 C LEU A 30 -0.178 -5.178 1.300 1.00 0.00 C ATOM 445 O LEU A 30 -1.244 -4.987 1.844 1.00 0.00 O ATOM 446 CB LEU A 30 1.593 -3.362 1.244 1.00 0.00 C ATOM 447 CG LEU A 30 2.681 -2.624 2.077 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.035 -1.724 3.125 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.633 -3.583 2.797 1.00 0.00 C ATOM 0 H LEU A 30 2.946 -5.340 1.018 1.00 0.00 H new ATOM 0 HA LEU A 30 0.948 -4.507 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.988 -3.584 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.737 -2.702 1.105 1.00 0.00 H new ATOM 0 HG LEU A 30 3.257 -2.037 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.812 -1.217 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.406 -0.984 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.425 -2.328 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.369 -3.010 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.065 -4.215 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.144 -4.207 2.064 1.00 0.00 H new ATOM 461 N LYS A 31 -0.085 -5.873 0.192 1.00 0.00 N ATOM 462 CA LYS A 31 -1.309 -6.453 -0.439 1.00 0.00 C ATOM 463 C LYS A 31 -1.922 -7.446 0.540 1.00 0.00 C ATOM 464 O LYS A 31 -3.115 -7.467 0.772 1.00 0.00 O ATOM 465 CB LYS A 31 -0.811 -7.202 -1.675 1.00 0.00 C ATOM 466 CG LYS A 31 -1.932 -7.288 -2.719 1.00 0.00 C ATOM 467 CD LYS A 31 -2.955 -8.357 -2.304 1.00 0.00 C ATOM 468 CE LYS A 31 -2.258 -9.716 -2.149 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.033 -10.657 -3.006 1.00 0.00 N ATOM 0 H LYS A 31 0.787 -6.063 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.052 -5.698 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.053 -6.690 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.483 -8.204 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.424 -6.320 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.513 -7.533 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.430 -8.073 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.745 -8.427 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.217 -9.662 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.258 -10.041 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.612 -11.606 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.019 -10.695 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.010 -10.328 -3.992 1.00 0.00 H new ATOM 483 N GLN A 32 -1.085 -8.259 1.133 1.00 0.00 N ATOM 484 CA GLN A 32 -1.573 -9.257 2.131 1.00 0.00 C ATOM 485 C GLN A 32 -2.342 -8.532 3.241 1.00 0.00 C ATOM 486 O GLN A 32 -3.383 -8.979 3.685 1.00 0.00 O ATOM 487 CB GLN A 32 -0.318 -9.917 2.687 1.00 0.00 C ATOM 488 CG GLN A 32 -0.022 -11.199 1.905 1.00 0.00 C ATOM 489 CD GLN A 32 1.397 -11.674 2.220 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.697 -12.025 3.344 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.290 -11.699 1.268 1.00 0.00 N ATOM 0 H GLN A 32 -0.079 -8.274 0.967 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.248 -9.993 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.527 -9.232 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.454 -10.147 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.743 -11.973 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.127 -11.017 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.038 -11.404 0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.240 -12.013 1.468 1.00 0.00 H new ATOM 500 N TYR A 33 -1.847 -7.392 3.660 1.00 0.00 N ATOM 501 CA TYR A 33 -2.559 -6.600 4.709 1.00 0.00 C ATOM 502 C TYR A 33 -3.915 -6.159 4.146 1.00 0.00 C ATOM 503 O TYR A 33 -4.924 -6.178 4.825 1.00 0.00 O ATOM 504 CB TYR A 33 -1.655 -5.391 4.979 1.00 0.00 C ATOM 505 CG TYR A 33 -2.331 -4.464 5.953 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.293 -4.752 7.316 1.00 0.00 C ATOM 507 CD2 TYR A 33 -3.006 -3.330 5.489 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.927 -3.908 8.225 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.641 -2.480 6.399 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.603 -2.768 7.769 1.00 0.00 C ATOM 511 OH TYR A 33 -4.232 -1.932 8.669 1.00 0.00 O ATOM 0 H TYR A 33 -0.980 -6.977 3.320 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.745 -7.160 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.698 -5.722 5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.445 -4.866 4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.772 -5.630 7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.036 -3.112 4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.898 -4.132 9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.161 -1.602 6.046 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.651 -1.189 8.187 1.00 0.00 H new ATOM 521 N ILE A 34 -3.930 -5.777 2.897 1.00 0.00 N ATOM 522 CA ILE A 34 -5.204 -5.344 2.246 1.00 0.00 C ATOM 523 C ILE A 34 -6.142 -6.550 2.112 1.00 0.00 C ATOM 524 O ILE A 34 -7.351 -6.411 2.103 1.00 0.00 O ATOM 525 CB ILE A 34 -4.782 -4.824 0.865 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.803 -3.637 1.041 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.022 -4.412 0.050 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.548 -2.336 1.362 1.00 0.00 C ATOM 0 H ILE A 34 -3.108 -5.746 2.294 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.737 -4.583 2.816 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.272 -5.615 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.098 -3.861 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.219 -3.508 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.709 -4.045 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.676 -5.274 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.560 -3.625 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.830 -1.525 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.234 -2.099 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.111 -2.458 2.287 1.00 0.00 H new ATOM 540 N ASN A 35 -5.585 -7.733 2.009 1.00 0.00 N ATOM 541 CA ASN A 35 -6.429 -8.962 1.876 1.00 0.00 C ATOM 542 C ASN A 35 -7.360 -9.102 3.085 1.00 0.00 C ATOM 543 O ASN A 35 -8.433 -9.667 2.989 1.00 0.00 O ATOM 544 CB ASN A 35 -5.438 -10.127 1.827 1.00 0.00 C ATOM 545 CG ASN A 35 -6.173 -11.407 1.423 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.358 -11.539 1.654 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.515 -12.362 0.825 1.00 0.00 N ATOM 0 H ASN A 35 -4.579 -7.900 2.011 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.062 -8.929 0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.642 -9.912 1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.966 -10.258 2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.996 -13.219 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.520 -12.251 0.631 1.00 0.00 H new ATOM 554 N ASP A 36 -6.953 -8.590 4.219 1.00 0.00 N ATOM 555 CA ASP A 36 -7.808 -8.687 5.441 1.00 0.00 C ATOM 556 C ASP A 36 -8.903 -7.618 5.406 1.00 0.00 C ATOM 557 O ASP A 36 -10.073 -7.912 5.563 1.00 0.00 O ATOM 558 CB ASP A 36 -6.858 -8.444 6.614 1.00 0.00 C ATOM 559 CG ASP A 36 -5.906 -9.632 6.756 1.00 0.00 C ATOM 560 OD1 ASP A 36 -5.504 -10.169 5.737 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.594 -9.985 7.882 1.00 0.00 O ATOM 0 H ASP A 36 -6.064 -8.108 4.351 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.308 -9.652 5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.291 -7.527 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.427 -8.308 7.534 1.00 0.00 H new ATOM 566 N ASN A 37 -8.529 -6.381 5.199 1.00 0.00 N ATOM 567 CA ASN A 37 -9.544 -5.284 5.150 1.00 0.00 C ATOM 568 C ASN A 37 -10.519 -5.521 3.993 1.00 0.00 C ATOM 569 O ASN A 37 -11.669 -5.130 4.050 1.00 0.00 O ATOM 570 CB ASN A 37 -8.744 -4.000 4.920 1.00 0.00 C ATOM 571 CG ASN A 37 -7.830 -3.748 6.121 1.00 0.00 C ATOM 572 OD1 ASN A 37 -8.199 -4.017 7.247 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.644 -3.239 5.928 1.00 0.00 N ATOM 0 H ASN A 37 -7.563 -6.082 5.062 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.136 -5.232 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.151 -4.086 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.421 -3.157 4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.027 -3.067 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.334 -3.013 4.983 1.00 0.00 H new ATOM 580 N GLY A 38 -10.063 -6.161 2.947 1.00 0.00 N ATOM 581 CA GLY A 38 -10.954 -6.432 1.780 1.00 0.00 C ATOM 582 C GLY A 38 -11.016 -5.195 0.884 1.00 0.00 C ATOM 583 O GLY A 38 -12.012 -4.941 0.232 1.00 0.00 O ATOM 0 H GLY A 38 -9.109 -6.508 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.580 -7.285 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.954 -6.693 2.126 1.00 0.00 H new ATOM 587 N ILE A 39 -9.958 -4.424 0.845 1.00 0.00 N ATOM 588 CA ILE A 39 -9.948 -3.199 -0.010 1.00 0.00 C ATOM 589 C ILE A 39 -8.933 -3.359 -1.147 1.00 0.00 C ATOM 590 O ILE A 39 -7.872 -2.765 -1.131 1.00 0.00 O ATOM 591 CB ILE A 39 -9.539 -2.056 0.930 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.550 -1.938 2.084 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.493 -0.736 0.152 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.957 -1.661 1.537 1.00 0.00 C ATOM 0 H ILE A 39 -9.099 -4.591 1.370 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.916 -3.010 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.551 -2.270 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.555 -2.859 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.250 -1.135 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.202 0.072 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.766 -0.815 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.478 -0.525 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.660 -1.580 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.951 -0.728 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.260 -2.478 0.882 1.00 0.00 H new ATOM 606 N ASP A 40 -9.256 -4.156 -2.134 1.00 0.00 N ATOM 607 CA ASP A 40 -8.320 -4.360 -3.279 1.00 0.00 C ATOM 608 C ASP A 40 -8.977 -3.899 -4.582 1.00 0.00 C ATOM 609 O ASP A 40 -9.928 -4.496 -5.050 1.00 0.00 O ATOM 610 CB ASP A 40 -8.057 -5.866 -3.314 1.00 0.00 C ATOM 611 CG ASP A 40 -6.832 -6.190 -2.457 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.783 -5.625 -2.720 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.963 -6.999 -1.553 1.00 0.00 O ATOM 0 H ASP A 40 -10.131 -4.676 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.398 -3.790 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.927 -6.407 -2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.893 -6.194 -4.341 1.00 0.00 H new ATOM 618 N GLY A 41 -8.479 -2.838 -5.167 1.00 0.00 N ATOM 619 CA GLY A 41 -9.075 -2.331 -6.438 1.00 0.00 C ATOM 620 C GLY A 41 -7.972 -1.801 -7.355 1.00 0.00 C ATOM 621 O GLY A 41 -7.489 -2.501 -8.225 1.00 0.00 O ATOM 0 H GLY A 41 -7.685 -2.302 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.622 -3.130 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.793 -1.539 -6.223 1.00 0.00 H new ATOM 625 N GLU A 42 -7.576 -0.566 -7.171 1.00 0.00 N ATOM 626 CA GLU A 42 -6.507 0.020 -8.037 1.00 0.00 C ATOM 627 C GLU A 42 -5.449 0.724 -7.182 1.00 0.00 C ATOM 628 O GLU A 42 -5.747 1.648 -6.449 1.00 0.00 O ATOM 629 CB GLU A 42 -7.232 1.036 -8.932 1.00 0.00 C ATOM 630 CG GLU A 42 -7.234 0.544 -10.385 1.00 0.00 C ATOM 631 CD GLU A 42 -8.592 -0.081 -10.716 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.595 0.478 -10.304 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.605 -1.107 -11.376 1.00 0.00 O ATOM 0 H GLU A 42 -7.947 0.062 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.988 -0.743 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.256 1.174 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.740 2.006 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.031 1.375 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.440 -0.188 -10.532 1.00 0.00 H new ATOM 640 N TRP A 43 -4.214 0.298 -7.282 1.00 0.00 N ATOM 641 CA TRP A 43 -3.130 0.946 -6.488 1.00 0.00 C ATOM 642 C TRP A 43 -2.387 1.955 -7.365 1.00 0.00 C ATOM 643 O TRP A 43 -2.474 1.915 -8.578 1.00 0.00 O ATOM 644 CB TRP A 43 -2.163 -0.175 -6.093 1.00 0.00 C ATOM 645 CG TRP A 43 -2.760 -1.101 -5.077 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.070 -1.433 -4.951 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.060 -1.829 -4.037 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.200 -2.340 -3.918 1.00 0.00 N ATOM 649 CE2 TRP A 43 -2.991 -2.605 -3.317 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.712 -1.889 -3.660 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.599 -3.415 -2.256 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.311 -2.700 -2.587 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.253 -3.461 -1.887 1.00 0.00 C ATOM 0 H TRP A 43 -3.912 -0.471 -7.880 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.531 1.466 -5.618 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.884 -0.743 -6.981 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.248 0.261 -5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.877 -1.051 -5.558 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.084 -2.762 -3.635 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.023 -1.308 -4.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.330 -4.004 -1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.730 -2.737 -2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.940 -4.084 -1.062 1.00 0.00 H new ATOM 664 N THR A 44 -1.637 2.837 -6.762 1.00 0.00 N ATOM 665 CA THR A 44 -0.857 3.833 -7.555 1.00 0.00 C ATOM 666 C THR A 44 0.422 4.190 -6.801 1.00 0.00 C ATOM 667 O THR A 44 0.394 4.492 -5.622 1.00 0.00 O ATOM 668 CB THR A 44 -1.756 5.062 -7.705 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.046 5.600 -6.425 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.058 4.672 -8.409 1.00 0.00 C ATOM 0 H THR A 44 -1.530 2.912 -5.750 1.00 0.00 H new ATOM 0 HA THR A 44 -0.570 3.443 -8.532 1.00 0.00 H new ATOM 0 HB THR A 44 -1.239 5.813 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.012 5.738 -6.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.693 5.552 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.831 4.270 -9.396 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.578 3.916 -7.820 1.00 0.00 H new ATOM 678 N TYR A 45 1.540 4.150 -7.472 1.00 0.00 N ATOM 679 CA TYR A 45 2.832 4.477 -6.802 1.00 0.00 C ATOM 680 C TYR A 45 3.174 5.956 -7.020 1.00 0.00 C ATOM 681 O TYR A 45 2.644 6.596 -7.908 1.00 0.00 O ATOM 682 CB TYR A 45 3.867 3.578 -7.486 1.00 0.00 C ATOM 683 CG TYR A 45 5.227 3.803 -6.868 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.406 3.644 -5.489 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.308 4.172 -7.676 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.666 3.853 -4.918 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.569 4.382 -7.106 1.00 0.00 C ATOM 688 CZ TYR A 45 7.748 4.222 -5.727 1.00 0.00 C ATOM 689 OH TYR A 45 8.991 4.428 -5.164 1.00 0.00 O ATOM 0 H TYR A 45 1.615 3.904 -8.459 1.00 0.00 H new ATOM 0 HA TYR A 45 2.798 4.313 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.579 2.532 -7.383 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.902 3.795 -8.554 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.571 3.360 -4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.169 4.295 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.804 3.730 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.403 4.667 -7.730 1.00 0.00 H new ATOM 0 HH TYR A 45 9.630 4.677 -5.864 1.00 0.00 H new ATOM 699 N ASP A 46 4.061 6.500 -6.222 1.00 0.00 N ATOM 700 CA ASP A 46 4.444 7.937 -6.391 1.00 0.00 C ATOM 701 C ASP A 46 5.953 8.103 -6.200 1.00 0.00 C ATOM 702 O ASP A 46 6.507 7.702 -5.193 1.00 0.00 O ATOM 703 CB ASP A 46 3.687 8.710 -5.303 1.00 0.00 C ATOM 704 CG ASP A 46 2.184 8.425 -5.404 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.592 8.822 -6.393 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.654 7.816 -4.489 1.00 0.00 O ATOM 0 H ASP A 46 4.535 6.012 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 46 4.195 8.303 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.055 8.421 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.871 9.779 -5.411 1.00 0.00 H new ATOM 711 N ASP A 47 6.618 8.698 -7.157 1.00 0.00 N ATOM 712 CA ASP A 47 8.096 8.903 -7.036 1.00 0.00 C ATOM 713 C ASP A 47 8.415 9.965 -5.969 1.00 0.00 C ATOM 714 O ASP A 47 9.560 10.154 -5.603 1.00 0.00 O ATOM 715 CB ASP A 47 8.557 9.372 -8.422 1.00 0.00 C ATOM 716 CG ASP A 47 7.822 10.660 -8.810 1.00 0.00 C ATOM 717 OD1 ASP A 47 8.072 11.674 -8.179 1.00 0.00 O ATOM 718 OD2 ASP A 47 7.024 10.609 -9.730 1.00 0.00 O ATOM 0 H ASP A 47 6.202 9.052 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 47 8.605 7.990 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.633 9.545 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.362 8.595 -9.161 1.00 0.00 H new ATOM 723 N ALA A 48 7.416 10.658 -5.467 1.00 0.00 N ATOM 724 CA ALA A 48 7.664 11.706 -4.424 1.00 0.00 C ATOM 725 C ALA A 48 8.429 11.113 -3.234 1.00 0.00 C ATOM 726 O ALA A 48 9.588 11.411 -3.017 1.00 0.00 O ATOM 727 CB ALA A 48 6.270 12.160 -3.982 1.00 0.00 C ATOM 0 H ALA A 48 6.439 10.542 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 48 8.266 12.529 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.364 12.930 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.730 12.564 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.722 11.310 -3.576 1.00 0.00 H new ATOM 733 N THR A 49 7.780 10.275 -2.471 1.00 0.00 N ATOM 734 CA THR A 49 8.448 9.647 -1.291 1.00 0.00 C ATOM 735 C THR A 49 8.165 8.143 -1.281 1.00 0.00 C ATOM 736 O THR A 49 8.005 7.535 -0.241 1.00 0.00 O ATOM 737 CB THR A 49 7.823 10.325 -0.066 1.00 0.00 C ATOM 738 OG1 THR A 49 8.373 9.759 1.115 1.00 0.00 O ATOM 739 CG2 THR A 49 6.302 10.124 -0.068 1.00 0.00 C ATOM 0 H THR A 49 6.809 9.996 -2.614 1.00 0.00 H new ATOM 0 HA THR A 49 9.531 9.772 -1.307 1.00 0.00 H new ATOM 0 HB THR A 49 8.039 11.393 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.246 8.787 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.870 10.610 0.807 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.878 10.561 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.076 9.058 -0.040 1.00 0.00 H new ATOM 747 N LYS A 50 8.097 7.544 -2.444 1.00 0.00 N ATOM 748 CA LYS A 50 7.819 6.076 -2.544 1.00 0.00 C ATOM 749 C LYS A 50 6.512 5.717 -1.828 1.00 0.00 C ATOM 750 O LYS A 50 6.454 4.768 -1.069 1.00 0.00 O ATOM 751 CB LYS A 50 9.011 5.372 -1.881 1.00 0.00 C ATOM 752 CG LYS A 50 10.306 5.772 -2.592 1.00 0.00 C ATOM 753 CD LYS A 50 11.486 5.028 -1.963 1.00 0.00 C ATOM 754 CE LYS A 50 12.066 5.864 -0.820 1.00 0.00 C ATOM 755 NZ LYS A 50 13.151 6.671 -1.445 1.00 0.00 N ATOM 0 H LYS A 50 8.224 8.015 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 50 7.701 5.767 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.065 5.643 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.879 4.291 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.238 5.536 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.458 6.849 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.160 4.058 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.252 4.839 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.305 6.504 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.455 5.229 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.597 7.271 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.864 6.035 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.750 7.271 -2.194 1.00 0.00 H new ATOM 769 N THR A 51 5.462 6.460 -2.079 1.00 0.00 N ATOM 770 CA THR A 51 4.152 6.154 -1.429 1.00 0.00 C ATOM 771 C THR A 51 3.315 5.271 -2.360 1.00 0.00 C ATOM 772 O THR A 51 3.640 5.100 -3.520 1.00 0.00 O ATOM 773 CB THR A 51 3.477 7.513 -1.212 1.00 0.00 C ATOM 774 OG1 THR A 51 4.279 8.300 -0.344 1.00 0.00 O ATOM 775 CG2 THR A 51 2.095 7.316 -0.582 1.00 0.00 C ATOM 0 H THR A 51 5.457 7.265 -2.706 1.00 0.00 H new ATOM 0 HA THR A 51 4.267 5.616 -0.488 1.00 0.00 H new ATOM 0 HB THR A 51 3.365 8.016 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.323 7.873 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.622 8.286 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.476 6.710 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.201 6.811 0.378 1.00 0.00 H new ATOM 783 N TRP A 52 2.249 4.706 -1.857 1.00 0.00 N ATOM 784 CA TRP A 52 1.395 3.827 -2.704 1.00 0.00 C ATOM 785 C TRP A 52 -0.087 4.154 -2.504 1.00 0.00 C ATOM 786 O TRP A 52 -0.439 5.122 -1.858 1.00 0.00 O ATOM 787 CB TRP A 52 1.675 2.418 -2.203 1.00 0.00 C ATOM 788 CG TRP A 52 2.952 1.908 -2.777 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.152 1.920 -2.159 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.162 1.294 -4.070 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.094 1.361 -3.007 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.527 0.959 -4.202 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.299 1.008 -5.131 1.00 0.00 C ATOM 794 CZ2 TRP A 52 5.020 0.354 -5.359 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.784 0.398 -6.299 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.144 0.072 -6.413 1.00 0.00 C ATOM 0 H TRP A 52 1.934 4.817 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 52 1.612 3.953 -3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.732 2.417 -1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.854 1.757 -2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.346 2.302 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.083 1.259 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.251 1.258 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.068 0.106 -5.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.108 0.179 -7.112 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.514 -0.396 -7.313 1.00 0.00 H new ATOM 807 N THR A 53 -0.956 3.337 -3.050 1.00 0.00 N ATOM 808 CA THR A 53 -2.424 3.573 -2.893 1.00 0.00 C ATOM 809 C THR A 53 -3.196 2.269 -3.131 1.00 0.00 C ATOM 810 O THR A 53 -2.635 1.270 -3.538 1.00 0.00 O ATOM 811 CB THR A 53 -2.788 4.612 -3.958 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.827 5.659 -3.954 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.171 5.192 -3.658 1.00 0.00 C ATOM 0 H THR A 53 -0.709 2.514 -3.600 1.00 0.00 H new ATOM 0 HA THR A 53 -2.677 3.919 -1.891 1.00 0.00 H new ATOM 0 HB THR A 53 -2.798 4.133 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.625 5.921 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.428 5.931 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.911 4.392 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.161 5.667 -2.677 1.00 0.00 H new ATOM 821 N VAL A 54 -4.479 2.276 -2.870 1.00 0.00 N ATOM 822 CA VAL A 54 -5.308 1.041 -3.066 1.00 0.00 C ATOM 823 C VAL A 54 -6.795 1.391 -2.907 1.00 0.00 C ATOM 824 O VAL A 54 -7.395 1.147 -1.878 1.00 0.00 O ATOM 825 CB VAL A 54 -4.832 0.041 -1.982 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.789 0.719 -0.616 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.779 -1.161 -1.894 1.00 0.00 C ATOM 0 H VAL A 54 -4.993 3.088 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.193 0.609 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.835 -0.299 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.453 0.004 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.098 1.561 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.785 1.077 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.424 -1.849 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.781 -0.817 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.807 -1.674 -2.856 1.00 0.00 H new ATOM 837 N THR A 55 -7.385 1.962 -3.925 1.00 0.00 N ATOM 838 CA THR A 55 -8.830 2.336 -3.851 1.00 0.00 C ATOM 839 C THR A 55 -9.709 1.112 -4.125 1.00 0.00 C ATOM 840 O THR A 55 -9.431 0.326 -5.011 1.00 0.00 O ATOM 841 CB THR A 55 -9.027 3.391 -4.943 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.904 4.262 -4.971 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.292 4.199 -4.651 1.00 0.00 C ATOM 0 H THR A 55 -6.927 2.186 -4.808 1.00 0.00 H new ATOM 0 HA THR A 55 -9.106 2.713 -2.866 1.00 0.00 H new ATOM 0 HB THR A 55 -9.127 2.897 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.030 4.936 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.432 4.950 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.154 3.532 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.194 4.692 -3.684 1.00 0.00 H new ATOM 851 N GLU A 56 -10.767 0.948 -3.370 1.00 0.00 N ATOM 852 CA GLU A 56 -11.670 -0.224 -3.583 1.00 0.00 C ATOM 853 C GLU A 56 -12.497 -0.029 -4.857 1.00 0.00 C ATOM 854 O GLU A 56 -12.824 -1.023 -5.485 1.00 0.00 O ATOM 855 CB GLU A 56 -12.582 -0.259 -2.354 1.00 0.00 C ATOM 856 CG GLU A 56 -13.214 -1.647 -2.227 1.00 0.00 C ATOM 857 CD GLU A 56 -14.528 -1.683 -3.008 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.512 -1.172 -2.498 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.529 -2.220 -4.103 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.789 1.110 -5.182 1.00 0.00 O ATOM 0 H GLU A 56 -11.044 1.576 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.114 -1.154 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.010 -0.025 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.360 0.500 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.531 -2.406 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.396 -1.881 -1.178 1.00 0.00 H new