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 180:sc= -0.871 USER MOD Set 1.2: A 53 THR OG1 : rot 155:sc= 0.0684 USER MOD Single : A 4 LYS NZ :NH3+ -120:sc= 1.01 (180deg=-1.18) USER MOD Single : A 8 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 38:sc= -0.525 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= -0.428 K(o=-0.43,f=-3.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00257 X(o=-0.0026,f=-0.28) USER MOD Single : A 37 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.9!) USER MOD Single : A 45 TYR OH : rot 51:sc= -1.17 USER MOD Single : A 49 THR OG1 : rot -54:sc= 0.8 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -161:sc= -1.54 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.881 1.820 3.072 1.00 0.00 N ATOM 32 CA PHE A 3 7.788 2.271 2.157 1.00 0.00 C ATOM 33 C PHE A 3 6.507 2.521 2.960 1.00 0.00 C ATOM 34 O PHE A 3 6.416 2.157 4.117 1.00 0.00 O ATOM 35 CB PHE A 3 7.594 1.118 1.166 1.00 0.00 C ATOM 36 CG PHE A 3 8.885 0.867 0.417 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.512 1.916 -0.267 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.457 -0.412 0.412 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.709 1.687 -0.956 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.654 -0.640 -0.278 1.00 0.00 C ATOM 41 CZ PHE A 3 11.280 0.409 -0.961 1.00 0.00 C ATOM 0 HA PHE A 3 8.030 3.202 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.289 0.216 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.796 1.359 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.072 2.902 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.975 -1.222 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.192 2.496 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.094 -1.626 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.204 0.232 -1.492 1.00 0.00 H new ATOM 51 N LYS A 4 5.521 3.144 2.359 1.00 0.00 N ATOM 52 CA LYS A 4 4.249 3.421 3.096 1.00 0.00 C ATOM 53 C LYS A 4 3.041 3.292 2.168 1.00 0.00 C ATOM 54 O LYS A 4 3.126 3.548 0.985 1.00 0.00 O ATOM 55 CB LYS A 4 4.375 4.865 3.584 1.00 0.00 C ATOM 56 CG LYS A 4 3.210 5.189 4.523 1.00 0.00 C ATOM 57 CD LYS A 4 3.334 6.634 5.021 1.00 0.00 C ATOM 58 CE LYS A 4 1.957 7.305 5.007 1.00 0.00 C ATOM 59 NZ LYS A 4 1.976 8.244 6.163 1.00 0.00 N ATOM 0 H LYS A 4 5.543 3.471 1.393 1.00 0.00 H new ATOM 0 HA LYS A 4 4.100 2.715 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.324 5.004 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.373 5.549 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.262 5.054 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.210 4.501 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.745 6.647 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.026 7.189 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.785 7.835 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.158 6.570 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.219 7.990 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.896 8.183 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.826 9.216 5.824 1.00 0.00 H new ATOM 73 N LEU A 5 1.913 2.916 2.713 1.00 0.00 N ATOM 74 CA LEU A 5 0.674 2.784 1.891 1.00 0.00 C ATOM 75 C LEU A 5 -0.539 3.171 2.737 1.00 0.00 C ATOM 76 O LEU A 5 -0.586 2.906 3.924 1.00 0.00 O ATOM 77 CB LEU A 5 0.598 1.307 1.487 1.00 0.00 C ATOM 78 CG LEU A 5 -0.106 1.175 0.122 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.753 0.343 -0.837 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.464 0.489 0.306 1.00 0.00 C ATOM 0 H LEU A 5 1.797 2.693 3.701 1.00 0.00 H new ATOM 0 HA LEU A 5 0.688 3.432 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.601 0.883 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.054 0.741 2.243 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.250 2.171 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.246 0.256 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.717 0.831 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.908 -0.651 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.959 0.397 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.316 -0.503 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.084 1.084 0.976 1.00 0.00 H new ATOM 92 N ILE A 6 -1.514 3.804 2.139 1.00 0.00 N ATOM 93 CA ILE A 6 -2.724 4.220 2.907 1.00 0.00 C ATOM 94 C ILE A 6 -3.950 3.437 2.424 1.00 0.00 C ATOM 95 O ILE A 6 -4.229 3.370 1.242 1.00 0.00 O ATOM 96 CB ILE A 6 -2.862 5.719 2.617 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.643 6.456 3.201 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.154 6.270 3.240 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.603 6.302 4.727 1.00 0.00 C ATOM 0 H ILE A 6 -1.524 4.051 1.149 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.641 4.023 3.976 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.907 5.874 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.727 6.058 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.689 7.513 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.236 7.335 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.013 5.747 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.131 6.119 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.735 6.829 5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.511 6.722 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.534 5.245 4.984 1.00 0.00 H new ATOM 111 N ILE A 7 -4.677 2.846 3.337 1.00 0.00 N ATOM 112 CA ILE A 7 -5.887 2.061 2.948 1.00 0.00 C ATOM 113 C ILE A 7 -7.069 3.004 2.708 1.00 0.00 C ATOM 114 O ILE A 7 -7.536 3.669 3.613 1.00 0.00 O ATOM 115 CB ILE A 7 -6.170 1.137 4.138 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.956 0.239 4.395 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.386 0.260 3.831 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.168 -0.545 5.691 1.00 0.00 C ATOM 0 H ILE A 7 -4.484 2.873 4.338 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.734 1.498 2.028 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.369 1.744 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.815 -0.448 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.052 0.843 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.585 -0.396 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.255 0.893 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.186 -0.343 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.305 -1.184 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.288 0.151 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.063 -1.161 5.602 1.00 0.00 H new ATOM 130 N ASN A 8 -7.556 3.060 1.495 1.00 0.00 N ATOM 131 CA ASN A 8 -8.711 3.952 1.186 1.00 0.00 C ATOM 132 C ASN A 8 -9.952 3.110 0.891 1.00 0.00 C ATOM 133 O ASN A 8 -10.615 3.292 -0.113 1.00 0.00 O ATOM 134 CB ASN A 8 -8.285 4.743 -0.052 1.00 0.00 C ATOM 135 CG ASN A 8 -7.313 5.851 0.359 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.643 5.745 1.367 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.207 6.917 -0.385 1.00 0.00 N ATOM 0 H ASN A 8 -7.201 2.524 0.703 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.962 4.612 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.811 4.079 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.159 5.174 -0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.562 7.661 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.769 7.006 -1.231 1.00 0.00 H new ATOM 144 N GLY A 9 -10.265 2.188 1.764 1.00 0.00 N ATOM 145 CA GLY A 9 -11.460 1.322 1.552 1.00 0.00 C ATOM 146 C GLY A 9 -12.715 2.068 2.005 1.00 0.00 C ATOM 147 O GLY A 9 -12.686 2.829 2.954 1.00 0.00 O ATOM 0 H GLY A 9 -9.741 1.998 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.545 1.051 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.354 0.393 2.112 1.00 0.00 H new ATOM 151 N LYS A 10 -13.817 1.859 1.328 1.00 0.00 N ATOM 152 CA LYS A 10 -15.086 2.555 1.705 1.00 0.00 C ATOM 153 C LYS A 10 -15.428 2.302 3.178 1.00 0.00 C ATOM 154 O LYS A 10 -16.003 3.143 3.843 1.00 0.00 O ATOM 155 CB LYS A 10 -16.162 1.952 0.798 1.00 0.00 C ATOM 156 CG LYS A 10 -15.880 2.337 -0.656 1.00 0.00 C ATOM 157 CD LYS A 10 -16.928 1.693 -1.566 1.00 0.00 C ATOM 158 CE LYS A 10 -17.213 2.617 -2.753 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.451 3.354 -2.378 1.00 0.00 N ATOM 0 H LYS A 10 -13.892 1.233 0.526 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.004 3.635 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.174 0.867 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.147 2.312 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.903 3.421 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.881 2.008 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.571 0.726 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.845 1.508 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.383 3.302 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.355 2.047 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.711 4.009 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.225 2.677 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.283 3.892 -1.504 1.00 0.00 H new ATOM 173 N THR A 11 -15.082 1.146 3.685 1.00 0.00 N ATOM 174 CA THR A 11 -15.388 0.827 5.113 1.00 0.00 C ATOM 175 C THR A 11 -14.096 0.614 5.911 1.00 0.00 C ATOM 176 O THR A 11 -14.068 0.799 7.113 1.00 0.00 O ATOM 177 CB THR A 11 -16.203 -0.466 5.060 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.200 -0.354 4.054 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.868 -0.708 6.416 1.00 0.00 C ATOM 0 H THR A 11 -14.600 0.408 3.171 1.00 0.00 H new ATOM 0 HA THR A 11 -15.928 1.636 5.606 1.00 0.00 H new ATOM 0 HB THR A 11 -15.544 -1.302 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.722 -1.182 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.449 -1.630 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.102 -0.794 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.528 0.127 6.652 1.00 0.00 H new ATOM 187 N LEU A 12 -13.032 0.222 5.255 1.00 0.00 N ATOM 188 CA LEU A 12 -11.744 -0.009 5.978 1.00 0.00 C ATOM 189 C LEU A 12 -10.712 1.056 5.594 1.00 0.00 C ATOM 190 O LEU A 12 -10.717 1.570 4.492 1.00 0.00 O ATOM 191 CB LEU A 12 -11.280 -1.392 5.522 1.00 0.00 C ATOM 192 CG LEU A 12 -12.289 -2.446 5.980 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.327 -3.592 4.968 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.872 -2.989 7.348 1.00 0.00 C ATOM 0 H LEU A 12 -13.000 0.052 4.250 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.865 0.049 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.182 -1.415 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.296 -1.612 5.936 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.278 -1.994 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.046 -4.343 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.623 -3.206 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.338 -4.045 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.590 -3.740 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.883 -3.441 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.845 -2.173 8.070 1.00 0.00 H new ATOM 206 N LYS A 13 -9.826 1.383 6.500 1.00 0.00 N ATOM 207 CA LYS A 13 -8.782 2.411 6.206 1.00 0.00 C ATOM 208 C LYS A 13 -7.608 2.258 7.179 1.00 0.00 C ATOM 209 O LYS A 13 -7.572 1.341 7.977 1.00 0.00 O ATOM 210 CB LYS A 13 -9.479 3.757 6.414 1.00 0.00 C ATOM 211 CG LYS A 13 -10.168 4.185 5.116 1.00 0.00 C ATOM 212 CD LYS A 13 -10.082 5.705 4.967 1.00 0.00 C ATOM 213 CE LYS A 13 -11.095 6.175 3.920 1.00 0.00 C ATOM 214 NZ LYS A 13 -10.450 7.344 3.259 1.00 0.00 N ATOM 0 H LYS A 13 -9.781 0.980 7.436 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.378 2.315 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.211 3.678 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.753 4.511 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.694 3.698 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.211 3.869 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.283 6.187 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.074 5.995 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.314 5.386 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.041 6.456 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.084 7.723 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.259 8.081 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.555 7.045 2.821 1.00 0.00 H new ATOM 228 N GLY A 14 -6.653 3.153 7.120 1.00 0.00 N ATOM 229 CA GLY A 14 -5.483 3.066 8.043 1.00 0.00 C ATOM 230 C GLY A 14 -4.187 3.276 7.258 1.00 0.00 C ATOM 231 O GLY A 14 -4.200 3.457 6.055 1.00 0.00 O ATOM 0 H GLY A 14 -6.635 3.940 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.570 3.818 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.468 2.093 8.535 1.00 0.00 H new ATOM 235 N GLU A 15 -3.067 3.255 7.936 1.00 0.00 N ATOM 236 CA GLU A 15 -1.756 3.454 7.243 1.00 0.00 C ATOM 237 C GLU A 15 -0.885 2.205 7.406 1.00 0.00 C ATOM 238 O GLU A 15 -1.129 1.384 8.270 1.00 0.00 O ATOM 239 CB GLU A 15 -1.106 4.651 7.946 1.00 0.00 C ATOM 240 CG GLU A 15 -2.025 5.875 7.855 1.00 0.00 C ATOM 241 CD GLU A 15 -1.184 7.137 7.653 1.00 0.00 C ATOM 242 OE1 GLU A 15 -0.188 7.056 6.954 1.00 0.00 O ATOM 243 OE2 GLU A 15 -1.551 8.164 8.201 1.00 0.00 O ATOM 0 H GLU A 15 -3.003 3.108 8.943 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.877 3.628 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.912 4.408 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.143 4.874 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.724 5.756 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.619 5.964 8.764 1.00 0.00 H new ATOM 250 N THR A 16 0.128 2.056 6.587 1.00 0.00 N ATOM 251 CA THR A 16 1.013 0.854 6.705 1.00 0.00 C ATOM 252 C THR A 16 2.340 1.075 5.971 1.00 0.00 C ATOM 253 O THR A 16 2.399 1.761 4.970 1.00 0.00 O ATOM 254 CB THR A 16 0.224 -0.291 6.059 1.00 0.00 C ATOM 255 OG1 THR A 16 0.998 -1.481 6.111 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.097 0.045 4.599 1.00 0.00 C ATOM 0 H THR A 16 0.380 2.710 5.846 1.00 0.00 H new ATOM 0 HA THR A 16 1.267 0.642 7.743 1.00 0.00 H new ATOM 0 HB THR A 16 -0.710 -0.432 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.496 -2.216 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.657 -0.776 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.693 0.956 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.831 0.194 4.047 1.00 0.00 H new ATOM 264 N THR A 17 3.401 0.487 6.464 1.00 0.00 N ATOM 265 CA THR A 17 4.731 0.642 5.802 1.00 0.00 C ATOM 266 C THR A 17 5.471 -0.696 5.799 1.00 0.00 C ATOM 267 O THR A 17 5.192 -1.567 6.602 1.00 0.00 O ATOM 268 CB THR A 17 5.497 1.655 6.653 1.00 0.00 C ATOM 269 OG1 THR A 17 5.409 1.284 8.021 1.00 0.00 O ATOM 270 CG2 THR A 17 4.905 3.051 6.462 1.00 0.00 C ATOM 0 H THR A 17 3.402 -0.096 7.301 1.00 0.00 H new ATOM 0 HA THR A 17 4.633 0.970 4.767 1.00 0.00 H new ATOM 0 HB THR A 17 6.542 1.666 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.901 1.931 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.456 3.767 7.072 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.978 3.337 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.858 3.047 6.765 1.00 0.00 H new ATOM 278 N THR A 18 6.413 -0.864 4.906 1.00 0.00 N ATOM 279 CA THR A 18 7.174 -2.137 4.850 1.00 0.00 C ATOM 280 C THR A 18 8.651 -1.832 4.530 1.00 0.00 C ATOM 281 O THR A 18 8.998 -0.735 4.135 1.00 0.00 O ATOM 282 CB THR A 18 6.453 -2.959 3.746 1.00 0.00 C ATOM 283 OG1 THR A 18 5.718 -4.006 4.362 1.00 0.00 O ATOM 284 CG2 THR A 18 7.442 -3.571 2.751 1.00 0.00 C ATOM 0 H THR A 18 6.685 -0.167 4.212 1.00 0.00 H new ATOM 0 HA THR A 18 7.194 -2.696 5.785 1.00 0.00 H new ATOM 0 HB THR A 18 5.796 -2.284 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.323 -3.681 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.896 -4.137 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.010 -2.776 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.125 -4.236 3.279 1.00 0.00 H new ATOM 292 N GLU A 19 9.508 -2.808 4.688 1.00 0.00 N ATOM 293 CA GLU A 19 10.954 -2.603 4.385 1.00 0.00 C ATOM 294 C GLU A 19 11.417 -3.647 3.366 1.00 0.00 C ATOM 295 O GLU A 19 11.398 -4.834 3.635 1.00 0.00 O ATOM 296 CB GLU A 19 11.672 -2.799 5.720 1.00 0.00 C ATOM 297 CG GLU A 19 13.165 -2.513 5.543 1.00 0.00 C ATOM 298 CD GLU A 19 13.974 -3.435 6.457 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.895 -4.638 6.272 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.659 -2.922 7.327 1.00 0.00 O ATOM 0 H GLU A 19 9.265 -3.743 5.016 1.00 0.00 H new ATOM 0 HA GLU A 19 11.158 -1.621 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.250 -2.134 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.526 -3.818 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.455 -2.668 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.377 -1.471 5.781 1.00 0.00 H new ATOM 307 N ALA A 20 11.822 -3.216 2.199 1.00 0.00 N ATOM 308 CA ALA A 20 12.274 -4.185 1.156 1.00 0.00 C ATOM 309 C ALA A 20 13.282 -3.528 0.210 1.00 0.00 C ATOM 310 O ALA A 20 13.596 -2.360 0.336 1.00 0.00 O ATOM 311 CB ALA A 20 11.002 -4.565 0.399 1.00 0.00 C ATOM 0 H ALA A 20 11.859 -2.235 1.923 1.00 0.00 H new ATOM 0 HA ALA A 20 12.772 -5.052 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.247 -5.277 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.289 -5.017 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.561 -3.672 -0.044 1.00 0.00 H new ATOM 317 N VAL A 21 13.790 -4.278 -0.736 1.00 0.00 N ATOM 318 CA VAL A 21 14.785 -3.713 -1.702 1.00 0.00 C ATOM 319 C VAL A 21 14.188 -2.511 -2.446 1.00 0.00 C ATOM 320 O VAL A 21 14.853 -1.518 -2.671 1.00 0.00 O ATOM 321 CB VAL A 21 15.103 -4.854 -2.679 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.706 -6.031 -1.910 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.823 -5.315 -3.391 1.00 0.00 C ATOM 0 H VAL A 21 13.558 -5.261 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 21 15.682 -3.356 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 21 15.815 -4.495 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.932 -6.841 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.623 -5.711 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.994 -6.381 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.062 -6.124 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.103 -5.668 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.394 -4.480 -3.945 1.00 0.00 H new ATOM 333 N ASP A 22 12.939 -2.599 -2.826 1.00 0.00 N ATOM 334 CA ASP A 22 12.284 -1.471 -3.554 1.00 0.00 C ATOM 335 C ASP A 22 10.786 -1.461 -3.247 1.00 0.00 C ATOM 336 O ASP A 22 10.227 -2.457 -2.825 1.00 0.00 O ATOM 337 CB ASP A 22 12.520 -1.752 -5.041 1.00 0.00 C ATOM 338 CG ASP A 22 14.022 -1.786 -5.332 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.660 -0.759 -5.171 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.508 -2.839 -5.710 1.00 0.00 O ATOM 0 H ASP A 22 12.341 -3.409 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 22 12.687 -0.502 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.066 -2.704 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.041 -0.982 -5.646 1.00 0.00 H new ATOM 345 N ALA A 23 10.133 -0.346 -3.455 1.00 0.00 N ATOM 346 CA ALA A 23 8.665 -0.273 -3.175 1.00 0.00 C ATOM 347 C ALA A 23 7.912 -1.268 -4.060 1.00 0.00 C ATOM 348 O ALA A 23 6.860 -1.758 -3.696 1.00 0.00 O ATOM 349 CB ALA A 23 8.258 1.163 -3.507 1.00 0.00 C ATOM 0 H ALA A 23 10.551 0.516 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 23 8.431 -0.525 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.191 1.290 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.818 1.855 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.474 1.369 -4.555 1.00 0.00 H new ATOM 355 N ALA A 24 8.449 -1.578 -5.215 1.00 0.00 N ATOM 356 CA ALA A 24 7.769 -2.556 -6.121 1.00 0.00 C ATOM 357 C ALA A 24 7.649 -3.908 -5.415 1.00 0.00 C ATOM 358 O ALA A 24 6.608 -4.536 -5.426 1.00 0.00 O ATOM 359 CB ALA A 24 8.674 -2.668 -7.350 1.00 0.00 C ATOM 0 H ALA A 24 9.327 -1.197 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 24 6.762 -2.240 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.238 -3.370 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.771 -1.690 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.658 -3.024 -7.046 1.00 0.00 H new ATOM 365 N THR A 25 8.711 -4.347 -4.786 1.00 0.00 N ATOM 366 CA THR A 25 8.672 -5.650 -4.058 1.00 0.00 C ATOM 367 C THR A 25 7.745 -5.531 -2.842 1.00 0.00 C ATOM 368 O THR A 25 6.883 -6.366 -2.621 1.00 0.00 O ATOM 369 CB THR A 25 10.128 -5.915 -3.627 1.00 0.00 C ATOM 370 OG1 THR A 25 10.905 -6.225 -4.775 1.00 0.00 O ATOM 371 CG2 THR A 25 10.192 -7.089 -2.639 1.00 0.00 C ATOM 0 H THR A 25 9.605 -3.857 -4.746 1.00 0.00 H new ATOM 0 HA THR A 25 8.288 -6.466 -4.671 1.00 0.00 H new ATOM 0 HB THR A 25 10.520 -5.023 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.721 -6.694 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.227 -7.262 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.599 -6.854 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.795 -7.986 -3.114 1.00 0.00 H new ATOM 379 N ALA A 26 7.921 -4.501 -2.049 1.00 0.00 N ATOM 380 CA ALA A 26 7.057 -4.335 -0.844 1.00 0.00 C ATOM 381 C ALA A 26 5.590 -4.241 -1.259 1.00 0.00 C ATOM 382 O ALA A 26 4.767 -5.013 -0.819 1.00 0.00 O ATOM 383 CB ALA A 26 7.503 -3.026 -0.185 1.00 0.00 C ATOM 0 H ALA A 26 8.622 -3.773 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 26 7.152 -5.180 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.905 -2.846 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.555 -3.098 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.367 -2.201 -0.885 1.00 0.00 H new ATOM 389 N GLU A 27 5.266 -3.290 -2.104 1.00 0.00 N ATOM 390 CA GLU A 27 3.847 -3.101 -2.564 1.00 0.00 C ATOM 391 C GLU A 27 3.155 -4.438 -2.873 1.00 0.00 C ATOM 392 O GLU A 27 1.975 -4.599 -2.619 1.00 0.00 O ATOM 393 CB GLU A 27 3.954 -2.247 -3.829 1.00 0.00 C ATOM 394 CG GLU A 27 2.553 -1.885 -4.327 1.00 0.00 C ATOM 395 CD GLU A 27 2.602 -1.598 -5.829 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.599 -1.055 -6.276 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.642 -1.926 -6.507 1.00 0.00 O ATOM 0 H GLU A 27 5.932 -2.627 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 27 3.242 -2.631 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.522 -1.340 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.496 -2.792 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.861 -2.703 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.180 -1.012 -3.791 1.00 0.00 H new ATOM 404 N LYS A 28 3.881 -5.403 -3.386 1.00 0.00 N ATOM 405 CA LYS A 28 3.254 -6.733 -3.668 1.00 0.00 C ATOM 406 C LYS A 28 2.805 -7.343 -2.341 1.00 0.00 C ATOM 407 O LYS A 28 1.699 -7.833 -2.209 1.00 0.00 O ATOM 408 CB LYS A 28 4.354 -7.584 -4.308 1.00 0.00 C ATOM 409 CG LYS A 28 4.830 -6.925 -5.604 1.00 0.00 C ATOM 410 CD LYS A 28 6.268 -7.360 -5.895 1.00 0.00 C ATOM 411 CE LYS A 28 6.254 -8.585 -6.813 1.00 0.00 C ATOM 412 NZ LYS A 28 7.689 -8.881 -7.080 1.00 0.00 N ATOM 0 H LYS A 28 4.871 -5.329 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 28 2.387 -6.664 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.190 -7.694 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.977 -8.586 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.178 -7.209 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.777 -5.840 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.818 -6.545 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.784 -7.596 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.758 -9.430 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.714 -8.380 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.762 -9.710 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.133 -8.061 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.175 -9.079 -6.182 1.00 0.00 H new ATOM 426 N VAL A 29 3.653 -7.274 -1.347 1.00 0.00 N ATOM 427 CA VAL A 29 3.283 -7.804 0.000 1.00 0.00 C ATOM 428 C VAL A 29 2.171 -6.923 0.576 1.00 0.00 C ATOM 429 O VAL A 29 1.275 -7.401 1.246 1.00 0.00 O ATOM 430 CB VAL A 29 4.579 -7.705 0.834 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.277 -7.769 2.341 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.505 -8.865 0.460 1.00 0.00 C ATOM 0 H VAL A 29 4.588 -6.872 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 29 2.911 -8.829 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 29 5.056 -6.749 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.209 -7.697 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.623 -6.942 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.785 -8.714 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.422 -8.801 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.006 -9.811 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.747 -8.810 -0.601 1.00 0.00 H new ATOM 442 N LEU A 30 2.228 -5.640 0.328 1.00 0.00 N ATOM 443 CA LEU A 30 1.174 -4.736 0.867 1.00 0.00 C ATOM 444 C LEU A 30 -0.155 -5.096 0.210 1.00 0.00 C ATOM 445 O LEU A 30 -1.201 -5.011 0.819 1.00 0.00 O ATOM 446 CB LEU A 30 1.627 -3.313 0.498 1.00 0.00 C ATOM 447 CG LEU A 30 2.749 -2.780 1.436 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.146 -2.135 2.678 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.718 -3.878 1.892 1.00 0.00 C ATOM 0 H LEU A 30 2.956 -5.183 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 30 1.037 -4.822 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.985 -3.305 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.771 -2.640 0.543 1.00 0.00 H new ATOM 0 HG LEU A 30 3.307 -2.050 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.945 -1.768 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.508 -1.303 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.553 -2.872 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.478 -3.445 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.168 -4.646 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.198 -4.324 1.021 1.00 0.00 H new ATOM 461 N LYS A 31 -0.110 -5.546 -1.021 1.00 0.00 N ATOM 462 CA LYS A 31 -1.364 -5.970 -1.714 1.00 0.00 C ATOM 463 C LYS A 31 -1.945 -7.153 -0.954 1.00 0.00 C ATOM 464 O LYS A 31 -3.127 -7.223 -0.678 1.00 0.00 O ATOM 465 CB LYS A 31 -0.925 -6.426 -3.105 1.00 0.00 C ATOM 466 CG LYS A 31 -2.091 -6.283 -4.092 1.00 0.00 C ATOM 467 CD LYS A 31 -3.102 -7.421 -3.881 1.00 0.00 C ATOM 468 CE LYS A 31 -2.407 -8.778 -4.060 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.224 -9.510 -5.069 1.00 0.00 N ATOM 0 H LYS A 31 0.742 -5.637 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.110 -5.177 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.077 -5.830 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.592 -7.463 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.581 -5.320 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.716 -6.304 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.535 -7.354 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.923 -7.326 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.380 -8.651 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.364 -9.325 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.806 -10.447 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.195 -9.623 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.242 -8.971 -5.958 1.00 0.00 H new ATOM 483 N GLN A 32 -1.092 -8.078 -0.594 1.00 0.00 N ATOM 484 CA GLN A 32 -1.545 -9.273 0.179 1.00 0.00 C ATOM 485 C GLN A 32 -2.260 -8.812 1.454 1.00 0.00 C ATOM 486 O GLN A 32 -3.280 -9.351 1.838 1.00 0.00 O ATOM 487 CB GLN A 32 -0.272 -10.036 0.521 1.00 0.00 C ATOM 488 CG GLN A 32 -0.024 -11.120 -0.529 1.00 0.00 C ATOM 489 CD GLN A 32 -0.901 -12.336 -0.224 1.00 0.00 C ATOM 490 OE1 GLN A 32 -2.064 -12.196 0.098 1.00 0.00 O ATOM 491 NE2 GLN A 32 -0.389 -13.533 -0.314 1.00 0.00 N ATOM 0 H GLN A 32 -0.094 -8.056 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.243 -9.896 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.575 -9.351 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.361 -10.487 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.250 -10.736 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.027 -11.407 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.587 -13.651 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.965 -14.351 -0.114 1.00 0.00 H new ATOM 500 N TYR A 33 -1.741 -7.787 2.086 1.00 0.00 N ATOM 501 CA TYR A 33 -2.398 -7.246 3.315 1.00 0.00 C ATOM 502 C TYR A 33 -3.775 -6.696 2.927 1.00 0.00 C ATOM 503 O TYR A 33 -4.755 -6.885 3.622 1.00 0.00 O ATOM 504 CB TYR A 33 -1.472 -6.124 3.799 1.00 0.00 C ATOM 505 CG TYR A 33 -2.090 -5.442 4.988 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.973 -6.020 6.251 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.791 -4.243 4.822 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.554 -5.402 7.357 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.373 -3.620 5.929 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.255 -4.200 7.200 1.00 0.00 C ATOM 511 OH TYR A 33 -3.831 -3.587 8.294 1.00 0.00 O ATOM 0 H TYR A 33 -0.890 -7.302 1.803 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.547 -7.994 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.497 -6.532 4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.307 -5.403 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.432 -6.947 6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.882 -3.800 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.464 -5.850 8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.913 -2.693 5.806 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.278 -2.762 8.009 1.00 0.00 H new ATOM 521 N ILE A 34 -3.843 -6.029 1.807 1.00 0.00 N ATOM 522 CA ILE A 34 -5.145 -5.468 1.332 1.00 0.00 C ATOM 523 C ILE A 34 -6.109 -6.618 1.001 1.00 0.00 C ATOM 524 O ILE A 34 -7.314 -6.452 1.014 1.00 0.00 O ATOM 525 CB ILE A 34 -4.792 -4.671 0.067 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.795 -3.543 0.434 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.069 -4.103 -0.579 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.512 -2.330 1.040 1.00 0.00 C ATOM 0 H ILE A 34 -3.048 -5.846 1.195 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.635 -4.842 2.078 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.319 -5.329 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.060 -3.923 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.249 -3.235 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.805 -3.540 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.736 -4.922 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.572 -3.444 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.781 -1.560 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.229 -1.934 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.037 -2.633 1.946 1.00 0.00 H new ATOM 540 N ASN A 35 -5.580 -7.782 0.702 1.00 0.00 N ATOM 541 CA ASN A 35 -6.452 -8.952 0.365 1.00 0.00 C ATOM 542 C ASN A 35 -7.442 -9.236 1.501 1.00 0.00 C ATOM 543 O ASN A 35 -8.639 -9.299 1.288 1.00 0.00 O ATOM 544 CB ASN A 35 -5.491 -10.131 0.191 1.00 0.00 C ATOM 545 CG ASN A 35 -6.229 -11.300 -0.463 1.00 0.00 C ATOM 546 OD1 ASN A 35 -6.885 -11.132 -1.472 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.150 -12.487 0.072 1.00 0.00 N ATOM 0 H ASN A 35 -4.578 -7.972 0.677 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.045 -8.769 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.642 -9.834 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.093 -10.435 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.639 -13.273 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.600 -12.629 0.919 1.00 0.00 H new ATOM 554 N ASP A 36 -6.951 -9.410 2.702 1.00 0.00 N ATOM 555 CA ASP A 36 -7.863 -9.695 3.855 1.00 0.00 C ATOM 556 C ASP A 36 -8.815 -8.516 4.089 1.00 0.00 C ATOM 557 O ASP A 36 -9.896 -8.683 4.623 1.00 0.00 O ATOM 558 CB ASP A 36 -6.946 -9.904 5.067 1.00 0.00 C ATOM 559 CG ASP A 36 -6.078 -8.663 5.293 1.00 0.00 C ATOM 560 OD1 ASP A 36 -6.639 -7.610 5.545 1.00 0.00 O ATOM 561 OD2 ASP A 36 -4.868 -8.790 5.213 1.00 0.00 O ATOM 0 H ASP A 36 -5.959 -9.367 2.935 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.486 -10.570 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.545 -10.105 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.312 -10.776 4.907 1.00 0.00 H new ATOM 566 N ASN A 37 -8.426 -7.329 3.691 1.00 0.00 N ATOM 567 CA ASN A 37 -9.313 -6.142 3.887 1.00 0.00 C ATOM 568 C ASN A 37 -10.346 -6.067 2.760 1.00 0.00 C ATOM 569 O ASN A 37 -11.440 -5.567 2.943 1.00 0.00 O ATOM 570 CB ASN A 37 -8.383 -4.928 3.839 1.00 0.00 C ATOM 571 CG ASN A 37 -7.351 -5.026 4.964 1.00 0.00 C ATOM 572 OD1 ASN A 37 -6.169 -5.146 4.712 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.751 -4.979 6.206 1.00 0.00 N ATOM 0 H ASN A 37 -7.533 -7.132 3.239 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.863 -6.193 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.880 -4.881 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.962 -4.010 3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.071 -5.043 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.743 -4.878 6.419 1.00 0.00 H new ATOM 580 N GLY A 38 -10.002 -6.561 1.598 1.00 0.00 N ATOM 581 CA GLY A 38 -10.955 -6.523 0.450 1.00 0.00 C ATOM 582 C GLY A 38 -11.018 -5.103 -0.113 1.00 0.00 C ATOM 583 O GLY A 38 -12.038 -4.673 -0.618 1.00 0.00 O ATOM 0 H GLY A 38 -9.099 -6.990 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.635 -7.219 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.946 -6.841 0.775 1.00 0.00 H new ATOM 587 N ILE A 39 -9.935 -4.373 -0.028 1.00 0.00 N ATOM 588 CA ILE A 39 -9.924 -2.976 -0.557 1.00 0.00 C ATOM 589 C ILE A 39 -8.941 -2.863 -1.728 1.00 0.00 C ATOM 590 O ILE A 39 -7.915 -2.217 -1.629 1.00 0.00 O ATOM 591 CB ILE A 39 -9.469 -2.100 0.619 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.417 -2.283 1.818 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.465 -0.629 0.194 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.856 -1.927 1.420 1.00 0.00 C ATOM 0 H ILE A 39 -9.056 -4.685 0.386 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.901 -2.670 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.463 -2.400 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.374 -3.314 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.094 -1.650 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.142 -0.009 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.780 -0.494 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.470 -0.335 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.515 -2.061 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.896 -0.889 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.181 -2.578 0.608 1.00 0.00 H new ATOM 606 N ASP A 40 -9.253 -3.487 -2.835 1.00 0.00 N ATOM 607 CA ASP A 40 -8.345 -3.420 -4.021 1.00 0.00 C ATOM 608 C ASP A 40 -9.029 -2.665 -5.164 1.00 0.00 C ATOM 609 O ASP A 40 -10.031 -3.105 -5.696 1.00 0.00 O ATOM 610 CB ASP A 40 -8.081 -4.880 -4.412 1.00 0.00 C ATOM 611 CG ASP A 40 -9.404 -5.590 -4.719 1.00 0.00 C ATOM 612 OD1 ASP A 40 -10.041 -6.045 -3.783 1.00 0.00 O ATOM 613 OD2 ASP A 40 -9.756 -5.666 -5.885 1.00 0.00 O ATOM 0 H ASP A 40 -10.099 -4.041 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.418 -2.891 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.428 -4.919 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.563 -5.394 -3.602 1.00 0.00 H new ATOM 618 N GLY A 41 -8.496 -1.529 -5.541 1.00 0.00 N ATOM 619 CA GLY A 41 -9.114 -0.739 -6.646 1.00 0.00 C ATOM 620 C GLY A 41 -8.026 -0.012 -7.438 1.00 0.00 C ATOM 621 O GLY A 41 -7.555 -0.499 -8.449 1.00 0.00 O ATOM 0 H GLY A 41 -7.659 -1.116 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.677 -1.399 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.822 -0.018 -6.237 1.00 0.00 H new ATOM 625 N GLU A 42 -7.629 1.153 -6.989 1.00 0.00 N ATOM 626 CA GLU A 42 -6.575 1.922 -7.719 1.00 0.00 C ATOM 627 C GLU A 42 -5.526 2.458 -6.741 1.00 0.00 C ATOM 628 O GLU A 42 -5.834 3.225 -5.848 1.00 0.00 O ATOM 629 CB GLU A 42 -7.323 3.081 -8.388 1.00 0.00 C ATOM 630 CG GLU A 42 -7.461 2.811 -9.888 1.00 0.00 C ATOM 631 CD GLU A 42 -8.792 3.376 -10.389 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.091 4.513 -10.063 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.491 2.661 -11.088 1.00 0.00 O ATOM 0 H GLU A 42 -7.990 1.604 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.044 1.303 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.309 3.198 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.786 4.015 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.633 3.270 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.413 1.739 -10.081 1.00 0.00 H new ATOM 640 N TRP A 43 -4.289 2.063 -6.912 1.00 0.00 N ATOM 641 CA TRP A 43 -3.212 2.552 -6.002 1.00 0.00 C ATOM 642 C TRP A 43 -2.478 3.722 -6.660 1.00 0.00 C ATOM 643 O TRP A 43 -2.587 3.942 -7.852 1.00 0.00 O ATOM 644 CB TRP A 43 -2.236 1.383 -5.836 1.00 0.00 C ATOM 645 CG TRP A 43 -2.830 0.262 -5.035 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.140 -0.087 -4.972 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.124 -0.676 -4.182 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.267 -1.193 -4.156 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.055 -1.585 -3.636 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.773 -0.820 -3.838 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.660 -2.605 -2.777 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.369 -1.844 -2.967 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.311 -2.734 -2.439 1.00 0.00 C ATOM 0 H TRP A 43 -3.980 1.423 -7.643 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.617 2.886 -5.047 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.945 1.012 -6.819 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.328 1.736 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.950 0.418 -5.477 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.152 -1.662 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.039 -0.140 -4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.390 -3.292 -2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.673 -1.945 -2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.995 -3.521 -1.770 1.00 0.00 H new ATOM 664 N THR A 44 -1.709 4.453 -5.897 1.00 0.00 N ATOM 665 CA THR A 44 -0.935 5.592 -6.473 1.00 0.00 C ATOM 666 C THR A 44 0.343 5.796 -5.662 1.00 0.00 C ATOM 667 O THR A 44 0.316 5.847 -4.447 1.00 0.00 O ATOM 668 CB THR A 44 -1.841 6.821 -6.373 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.172 7.060 -5.014 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.119 6.592 -7.182 1.00 0.00 C ATOM 0 H THR A 44 -1.583 4.310 -4.895 1.00 0.00 H new ATOM 0 HA THR A 44 -0.646 5.409 -7.508 1.00 0.00 H new ATOM 0 HB THR A 44 -1.315 7.687 -6.774 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.751 7.848 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.760 7.471 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.862 6.419 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.647 5.723 -6.790 1.00 0.00 H new ATOM 678 N TYR A 45 1.461 5.903 -6.328 1.00 0.00 N ATOM 679 CA TYR A 45 2.753 6.092 -5.606 1.00 0.00 C ATOM 680 C TYR A 45 3.005 7.587 -5.364 1.00 0.00 C ATOM 681 O TYR A 45 2.405 8.435 -5.998 1.00 0.00 O ATOM 682 CB TYR A 45 3.814 5.506 -6.544 1.00 0.00 C ATOM 683 CG TYR A 45 5.189 5.667 -5.935 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.477 5.090 -4.693 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.172 6.397 -6.613 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.750 5.242 -4.130 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.444 6.549 -6.051 1.00 0.00 C ATOM 688 CZ TYR A 45 7.733 5.972 -4.809 1.00 0.00 C ATOM 689 OH TYR A 45 8.988 6.122 -4.253 1.00 0.00 O ATOM 0 H TYR A 45 1.536 5.868 -7.345 1.00 0.00 H new ATOM 0 HA TYR A 45 2.763 5.608 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.609 4.451 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.774 6.009 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.718 4.528 -4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.948 6.843 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.974 4.796 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.203 7.111 -6.575 1.00 0.00 H new ATOM 0 HH TYR A 45 9.336 5.245 -3.989 1.00 0.00 H new ATOM 699 N ASP A 46 3.897 7.911 -4.460 1.00 0.00 N ATOM 700 CA ASP A 46 4.201 9.350 -4.183 1.00 0.00 C ATOM 701 C ASP A 46 5.711 9.540 -4.021 1.00 0.00 C ATOM 702 O ASP A 46 6.355 8.836 -3.265 1.00 0.00 O ATOM 703 CB ASP A 46 3.482 9.691 -2.871 1.00 0.00 C ATOM 704 CG ASP A 46 1.990 9.359 -2.987 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.659 8.186 -2.937 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.207 10.284 -3.125 1.00 0.00 O ATOM 0 H ASP A 46 4.428 7.242 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 46 3.871 9.995 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.925 9.130 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.610 10.749 -2.641 1.00 0.00 H new ATOM 711 N ASP A 47 6.276 10.489 -4.723 1.00 0.00 N ATOM 712 CA ASP A 47 7.748 10.736 -4.611 1.00 0.00 C ATOM 713 C ASP A 47 8.089 11.428 -3.281 1.00 0.00 C ATOM 714 O ASP A 47 9.247 11.621 -2.961 1.00 0.00 O ATOM 715 CB ASP A 47 8.090 11.647 -5.791 1.00 0.00 C ATOM 716 CG ASP A 47 9.603 11.871 -5.841 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.089 12.671 -5.059 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.249 11.239 -6.660 1.00 0.00 O ATOM 0 H ASP A 47 5.782 11.104 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 47 8.316 9.806 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.747 11.197 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.574 12.601 -5.689 1.00 0.00 H new ATOM 723 N ALA A 48 7.097 11.801 -2.502 1.00 0.00 N ATOM 724 CA ALA A 48 7.371 12.478 -1.194 1.00 0.00 C ATOM 725 C ALA A 48 8.267 11.599 -0.314 1.00 0.00 C ATOM 726 O ALA A 48 9.427 11.893 -0.101 1.00 0.00 O ATOM 727 CB ALA A 48 5.996 12.655 -0.543 1.00 0.00 C ATOM 0 H ALA A 48 6.109 11.665 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 48 7.889 13.428 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.111 13.146 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.364 13.266 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.532 11.679 -0.401 1.00 0.00 H new ATOM 733 N THR A 49 7.728 10.522 0.193 1.00 0.00 N ATOM 734 CA THR A 49 8.528 9.607 1.061 1.00 0.00 C ATOM 735 C THR A 49 8.292 8.156 0.632 1.00 0.00 C ATOM 736 O THR A 49 8.184 7.266 1.453 1.00 0.00 O ATOM 737 CB THR A 49 7.998 9.845 2.480 1.00 0.00 C ATOM 738 OG1 THR A 49 8.709 9.020 3.393 1.00 0.00 O ATOM 739 CG2 THR A 49 6.504 9.507 2.539 1.00 0.00 C ATOM 0 H THR A 49 6.761 10.234 0.042 1.00 0.00 H new ATOM 0 HA THR A 49 9.600 9.793 0.995 1.00 0.00 H new ATOM 0 HB THR A 49 8.139 10.892 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.664 8.088 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.132 9.678 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.960 10.142 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.357 8.461 2.270 1.00 0.00 H new ATOM 747 N LYS A 50 8.191 7.922 -0.653 1.00 0.00 N ATOM 748 CA LYS A 50 7.938 6.538 -1.167 1.00 0.00 C ATOM 749 C LYS A 50 6.666 5.960 -0.540 1.00 0.00 C ATOM 750 O LYS A 50 6.659 4.855 -0.033 1.00 0.00 O ATOM 751 CB LYS A 50 9.164 5.706 -0.774 1.00 0.00 C ATOM 752 CG LYS A 50 10.421 6.314 -1.400 1.00 0.00 C ATOM 753 CD LYS A 50 11.662 5.563 -0.899 1.00 0.00 C ATOM 754 CE LYS A 50 12.612 5.286 -2.071 1.00 0.00 C ATOM 755 NZ LYS A 50 13.727 6.260 -1.903 1.00 0.00 N ATOM 0 H LYS A 50 8.274 8.637 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 50 7.790 6.534 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.264 5.677 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.040 4.677 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.363 6.256 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.494 7.370 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.172 6.153 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.366 4.625 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.978 4.260 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.109 5.424 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.419 6.132 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.350 7.229 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.192 6.101 -0.987 1.00 0.00 H new ATOM 769 N THR A 51 5.590 6.705 -0.579 1.00 0.00 N ATOM 770 CA THR A 51 4.306 6.212 0.007 1.00 0.00 C ATOM 771 C THR A 51 3.481 5.517 -1.079 1.00 0.00 C ATOM 772 O THR A 51 3.963 5.264 -2.167 1.00 0.00 O ATOM 773 CB THR A 51 3.570 7.464 0.516 1.00 0.00 C ATOM 774 OG1 THR A 51 4.510 8.460 0.900 1.00 0.00 O ATOM 775 CG2 THR A 51 2.698 7.102 1.723 1.00 0.00 C ATOM 0 H THR A 51 5.545 7.636 -0.993 1.00 0.00 H new ATOM 0 HA THR A 51 4.471 5.494 0.810 1.00 0.00 H new ATOM 0 HB THR A 51 2.941 7.850 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.074 9.112 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.180 7.993 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.966 6.349 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.327 6.706 2.520 1.00 0.00 H new ATOM 783 N TRP A 52 2.243 5.210 -0.791 1.00 0.00 N ATOM 784 CA TRP A 52 1.379 4.532 -1.801 1.00 0.00 C ATOM 785 C TRP A 52 -0.097 4.807 -1.510 1.00 0.00 C ATOM 786 O TRP A 52 -0.432 5.609 -0.659 1.00 0.00 O ATOM 787 CB TRP A 52 1.660 3.045 -1.632 1.00 0.00 C ATOM 788 CG TRP A 52 2.923 2.674 -2.332 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.136 2.556 -1.751 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.105 2.353 -3.732 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.059 2.195 -2.719 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.467 2.057 -3.960 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.220 2.298 -4.814 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.935 1.716 -5.230 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.682 1.955 -6.095 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.039 1.665 -6.303 1.00 0.00 C ATOM 0 H TRP A 52 1.792 5.401 0.104 1.00 0.00 H new ATOM 0 HA TRP A 52 1.587 4.885 -2.811 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.738 2.801 -0.573 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.830 2.463 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.351 2.716 -0.705 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.052 2.049 -2.538 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.174 2.521 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.981 1.493 -5.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.990 1.914 -6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.391 1.403 -7.290 1.00 0.00 H new ATOM 807 N THR A 53 -0.980 4.134 -2.207 1.00 0.00 N ATOM 808 CA THR A 53 -2.441 4.336 -1.971 1.00 0.00 C ATOM 809 C THR A 53 -3.232 3.114 -2.451 1.00 0.00 C ATOM 810 O THR A 53 -2.690 2.209 -3.057 1.00 0.00 O ATOM 811 CB THR A 53 -2.820 5.576 -2.786 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.836 6.586 -2.605 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.178 6.103 -2.320 1.00 0.00 C ATOM 0 H THR A 53 -0.750 3.453 -2.930 1.00 0.00 H new ATOM 0 HA THR A 53 -2.667 4.466 -0.913 1.00 0.00 H new ATOM 0 HB THR A 53 -2.877 5.308 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.840 7.189 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.445 6.985 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.936 5.332 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.123 6.368 -1.264 1.00 0.00 H new ATOM 821 N VAL A 54 -4.510 3.081 -2.171 1.00 0.00 N ATOM 822 CA VAL A 54 -5.359 1.919 -2.590 1.00 0.00 C ATOM 823 C VAL A 54 -6.836 2.243 -2.325 1.00 0.00 C ATOM 824 O VAL A 54 -7.372 1.932 -1.278 1.00 0.00 O ATOM 825 CB VAL A 54 -4.877 0.726 -1.730 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.844 1.123 -0.254 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.813 -0.479 -1.901 1.00 0.00 C ATOM 0 H VAL A 54 -5.008 3.814 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.270 1.692 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.876 0.452 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.504 0.277 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.161 1.961 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.844 1.414 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.456 -1.307 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.821 -0.204 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.828 -0.783 -2.948 1.00 0.00 H new ATOM 837 N THR A 55 -7.490 2.865 -3.273 1.00 0.00 N ATOM 838 CA THR A 55 -8.931 3.217 -3.093 1.00 0.00 C ATOM 839 C THR A 55 -9.821 2.105 -3.653 1.00 0.00 C ATOM 840 O THR A 55 -9.669 1.692 -4.786 1.00 0.00 O ATOM 841 CB THR A 55 -9.124 4.509 -3.889 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.014 5.370 -3.670 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.408 5.204 -3.435 1.00 0.00 C ATOM 0 H THR A 55 -7.086 3.145 -4.167 1.00 0.00 H new ATOM 0 HA THR A 55 -9.199 3.340 -2.043 1.00 0.00 H new ATOM 0 HB THR A 55 -9.197 4.273 -4.951 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.136 6.197 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.544 6.124 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.259 4.544 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.338 5.440 -2.373 1.00 0.00 H new ATOM 851 N GLU A 56 -10.748 1.620 -2.865 1.00 0.00 N ATOM 852 CA GLU A 56 -11.655 0.531 -3.347 1.00 0.00 C ATOM 853 C GLU A 56 -12.455 1.009 -4.562 1.00 0.00 C ATOM 854 O GLU A 56 -13.015 2.090 -4.491 1.00 0.00 O ATOM 855 CB GLU A 56 -12.591 0.234 -2.173 1.00 0.00 C ATOM 856 CG GLU A 56 -13.221 -1.148 -2.358 1.00 0.00 C ATOM 857 CD GLU A 56 -14.579 -1.005 -3.047 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.593 -0.680 -4.223 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.582 -1.224 -2.388 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.494 0.284 -5.543 1.00 0.00 O ATOM 0 H GLU A 56 -10.917 1.931 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.101 -0.355 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.037 0.270 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.369 0.995 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.564 -1.781 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.342 -1.636 -1.391 1.00 0.00 H new