USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 1 MET N :NH3+ 172:sc= 0.86 (180deg=-0.00449) USER MOD Set 1.2: A 4 THR OG1 : rot -170:sc= 0.783 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.761 (180deg=-1.02) USER MOD Single : A 2 ASN : amide:sc= 0.31 K(o=0.31,f=-9.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.44) USER MOD Single : A 17 THR OG1 : rot 126:sc= 0.232 USER MOD Single : A 21 THR OG1 : rot -33:sc= 0.302 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.142 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 38 SER OG : rot 1:sc= 0.638 USER MOD Single : A 40 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.3) USER MOD Single : A 42 MET CE :methyl 149:sc= -0.811 (180deg=-1.64) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00349) USER MOD Single : A 62 SER OG : rot 150:sc= 0.926 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -0.601 (180deg=-2.37!) USER MOD Single : A 72 THR OG1 : rot 68:sc= 0.732 USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= 0.466 (180deg=0.0678) USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= 0.988 (180deg=-1.13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.433 0.054 11.286 1.00 0.00 N ATOM 2 CA MET A 1 2.066 -0.063 9.951 1.00 0.00 C ATOM 3 C MET A 1 1.166 -0.819 8.976 1.00 0.00 C ATOM 4 O MET A 1 0.639 -0.221 8.047 1.00 0.00 O ATOM 5 CB MET A 1 3.444 -0.739 10.051 1.00 0.00 C ATOM 6 CG MET A 1 4.535 0.185 10.575 1.00 0.00 C ATOM 7 SD MET A 1 6.036 -0.697 11.051 1.00 0.00 S ATOM 8 CE MET A 1 6.546 -1.391 9.480 1.00 0.00 C ATOM 0 H1 MET A 1 2.118 0.450 11.961 1.00 0.00 H new ATOM 0 H2 MET A 1 0.606 0.681 11.224 1.00 0.00 H new ATOM 0 H3 MET A 1 1.131 -0.887 11.611 1.00 0.00 H new ATOM 0 HA MET A 1 2.208 0.946 9.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.368 -1.607 10.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.732 -1.107 9.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.780 0.921 9.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.155 0.736 11.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.633 -1.469 9.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.108 -2.382 9.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.208 -0.745 8.670 1.00 0.00 H new ATOM 17 N ASN A 2 0.970 -2.122 9.189 1.00 0.00 N ATOM 18 CA ASN A 2 0.218 -2.947 8.231 1.00 0.00 C ATOM 19 C ASN A 2 -1.206 -2.428 8.020 1.00 0.00 C ATOM 20 O ASN A 2 -1.652 -2.262 6.879 1.00 0.00 O ATOM 21 CB ASN A 2 0.211 -4.432 8.647 1.00 0.00 C ATOM 22 CG ASN A 2 -0.166 -4.686 10.101 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.959 -3.963 10.699 1.00 0.00 O ATOM 24 ND2 ASN A 2 0.414 -5.727 10.680 1.00 0.00 N ATOM 0 H ASN A 2 1.315 -2.627 10.005 1.00 0.00 H new ATOM 0 HA ASN A 2 0.736 -2.870 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.486 -4.971 8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.201 -4.851 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.207 -5.950 11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.068 -6.305 10.152 1.00 0.00 H new ATOM 31 N ALA A 3 -1.903 -2.143 9.111 1.00 0.00 N ATOM 32 CA ALA A 3 -3.255 -1.598 9.036 1.00 0.00 C ATOM 33 C ALA A 3 -3.199 -0.171 8.509 1.00 0.00 C ATOM 34 O ALA A 3 -4.038 0.244 7.710 1.00 0.00 O ATOM 35 CB ALA A 3 -3.935 -1.647 10.400 1.00 0.00 C ATOM 0 H ALA A 3 -1.556 -2.280 10.060 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.846 -2.206 8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.941 -1.236 10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.992 -2.681 10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.359 -1.060 11.115 1.00 0.00 H new ATOM 41 N THR A 4 -2.182 0.556 8.956 1.00 0.00 N ATOM 42 CA THR A 4 -1.927 1.923 8.518 1.00 0.00 C ATOM 43 C THR A 4 -1.874 2.004 6.988 1.00 0.00 C ATOM 44 O THR A 4 -2.510 2.859 6.364 1.00 0.00 O ATOM 45 CB THR A 4 -0.575 2.402 9.094 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.473 2.023 10.474 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.406 3.910 8.957 1.00 0.00 C ATOM 0 H THR A 4 -1.506 0.211 9.638 1.00 0.00 H new ATOM 0 HA THR A 4 -2.737 2.558 8.877 1.00 0.00 H new ATOM 0 HB THR A 4 0.220 1.925 8.521 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.306 2.460 10.877 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.556 4.208 9.373 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.447 4.186 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.207 4.416 9.496 1.00 0.00 H new ATOM 55 N ILE A 5 -1.116 1.084 6.403 1.00 0.00 N ATOM 56 CA ILE A 5 -0.884 1.042 4.964 1.00 0.00 C ATOM 57 C ILE A 5 -2.174 0.738 4.204 1.00 0.00 C ATOM 58 O ILE A 5 -2.593 1.519 3.354 1.00 0.00 O ATOM 59 CB ILE A 5 0.207 -0.007 4.616 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.536 0.376 5.300 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.386 -0.122 3.098 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.516 -0.773 5.448 1.00 0.00 C ATOM 0 H ILE A 5 -0.642 0.341 6.917 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.534 2.027 4.655 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.110 -0.982 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.011 1.171 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.319 0.782 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.155 -0.862 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.555 -0.430 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.686 0.844 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.422 -0.417 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.064 -1.562 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.767 -1.167 4.463 1.00 0.00 H new ATOM 74 N ARG A 6 -2.820 -0.381 4.524 1.00 0.00 N ATOM 75 CA ARG A 6 -4.047 -0.767 3.825 1.00 0.00 C ATOM 76 C ARG A 6 -5.149 0.273 4.044 1.00 0.00 C ATOM 77 O ARG A 6 -6.068 0.399 3.234 1.00 0.00 O ATOM 78 CB ARG A 6 -4.509 -2.183 4.238 1.00 0.00 C ATOM 79 CG ARG A 6 -4.785 -2.384 5.732 1.00 0.00 C ATOM 80 CD ARG A 6 -6.146 -1.839 6.163 1.00 0.00 C ATOM 81 NE ARG A 6 -6.425 -2.116 7.574 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.135 -1.318 8.371 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.625 -0.174 7.910 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.354 -1.663 9.632 1.00 0.00 N ATOM 0 H ARG A 6 -2.521 -1.030 5.252 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.830 -0.799 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.416 -2.425 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.747 -2.898 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.734 -3.447 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.003 -1.893 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.177 -0.763 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.927 -2.283 5.545 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.051 -2.977 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.459 0.098 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.168 0.433 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.979 -2.540 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.898 -1.051 10.241 1.00 0.00 H new ATOM 98 N GLU A 7 -5.039 1.021 5.141 1.00 0.00 N ATOM 99 CA GLU A 7 -5.997 2.074 5.457 1.00 0.00 C ATOM 100 C GLU A 7 -5.809 3.274 4.535 1.00 0.00 C ATOM 101 O GLU A 7 -6.787 3.889 4.098 1.00 0.00 O ATOM 102 CB GLU A 7 -5.843 2.521 6.919 1.00 0.00 C ATOM 103 CG GLU A 7 -6.785 3.654 7.320 1.00 0.00 C ATOM 104 CD GLU A 7 -6.534 4.166 8.729 1.00 0.00 C ATOM 105 OE1 GLU A 7 -6.999 3.525 9.695 1.00 0.00 O ATOM 106 OE2 GLU A 7 -5.871 5.216 8.875 1.00 0.00 O ATOM 0 H GLU A 7 -4.292 0.915 5.827 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.998 1.669 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.020 1.666 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.814 2.841 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.674 4.478 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.815 3.306 7.244 1.00 0.00 H new ATOM 113 N ILE A 8 -4.553 3.604 4.224 1.00 0.00 N ATOM 114 CA ILE A 8 -4.257 4.812 3.464 1.00 0.00 C ATOM 115 C ILE A 8 -4.912 4.773 2.080 1.00 0.00 C ATOM 116 O ILE A 8 -5.268 5.813 1.521 1.00 0.00 O ATOM 117 CB ILE A 8 -2.739 5.088 3.323 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.527 6.584 3.068 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.118 4.256 2.201 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.100 6.963 2.779 1.00 0.00 C ATOM 0 H ILE A 8 -3.734 3.055 4.486 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.682 5.634 4.040 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.241 4.798 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.150 6.890 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.870 7.142 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.053 4.476 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.256 3.196 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.601 4.502 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.036 8.038 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.472 6.691 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.756 6.435 1.890 1.00 0.00 H new ATOM 132 N LEU A 9 -5.054 3.567 1.528 1.00 0.00 N ATOM 133 CA LEU A 9 -5.687 3.377 0.220 1.00 0.00 C ATOM 134 C LEU A 9 -7.084 4.003 0.180 1.00 0.00 C ATOM 135 O LEU A 9 -7.566 4.396 -0.882 1.00 0.00 O ATOM 136 CB LEU A 9 -5.763 1.878 -0.132 1.00 0.00 C ATOM 137 CG LEU A 9 -4.469 1.256 -0.689 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.095 1.894 -2.024 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.319 1.389 0.306 1.00 0.00 C ATOM 0 H LEU A 9 -4.738 2.703 1.968 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.070 3.882 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.053 1.328 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.557 1.736 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.654 0.194 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.178 1.440 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.900 1.734 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.940 2.964 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.419 0.941 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.136 2.444 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.579 0.878 1.233 1.00 0.00 H new ATOM 151 N ALA A 10 -7.724 4.098 1.342 1.00 0.00 N ATOM 152 CA ALA A 10 -9.062 4.673 1.444 1.00 0.00 C ATOM 153 C ALA A 10 -9.027 6.194 1.273 1.00 0.00 C ATOM 154 O ALA A 10 -9.977 6.795 0.768 1.00 0.00 O ATOM 155 CB ALA A 10 -9.689 4.296 2.784 1.00 0.00 C ATOM 0 H ALA A 10 -7.335 3.782 2.231 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.673 4.265 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.687 4.728 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.757 3.211 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.071 4.679 3.596 1.00 0.00 H new ATOM 161 N LYS A 11 -7.917 6.806 1.681 1.00 0.00 N ATOM 162 CA LYS A 11 -7.793 8.266 1.711 1.00 0.00 C ATOM 163 C LYS A 11 -6.842 8.784 0.619 1.00 0.00 C ATOM 164 O LYS A 11 -7.281 9.457 -0.319 1.00 0.00 O ATOM 165 CB LYS A 11 -7.352 8.713 3.119 1.00 0.00 C ATOM 166 CG LYS A 11 -6.227 7.863 3.713 1.00 0.00 C ATOM 167 CD LYS A 11 -6.107 8.019 5.226 1.00 0.00 C ATOM 168 CE LYS A 11 -5.746 9.438 5.643 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.675 9.567 7.122 1.00 0.00 N ATOM 0 H LYS A 11 -7.083 6.311 1.998 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.767 8.705 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.025 9.752 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.212 8.678 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.404 6.815 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.282 8.142 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.051 7.737 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.349 7.331 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.787 9.714 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.488 10.134 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.427 10.545 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.598 9.326 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.950 8.920 7.493 1.00 0.00 H new ATOM 183 N PHE A 12 -5.551 8.458 0.723 1.00 0.00 N ATOM 184 CA PHE A 12 -4.563 8.897 -0.269 1.00 0.00 C ATOM 185 C PHE A 12 -4.637 8.026 -1.517 1.00 0.00 C ATOM 186 O PHE A 12 -4.383 8.491 -2.629 1.00 0.00 O ATOM 187 CB PHE A 12 -3.139 8.845 0.306 1.00 0.00 C ATOM 188 CG PHE A 12 -2.802 9.973 1.255 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.272 9.968 2.561 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.003 11.033 0.842 1.00 0.00 C ATOM 191 CE1 PHE A 12 -2.952 10.992 3.432 1.00 0.00 C ATOM 192 CE2 PHE A 12 -1.684 12.060 1.710 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.159 12.039 3.006 1.00 0.00 C ATOM 0 H PHE A 12 -5.165 7.894 1.480 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.797 9.929 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.006 7.897 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.427 8.857 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.895 9.154 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.627 11.054 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.322 10.973 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.064 12.878 1.375 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.911 12.841 3.686 1.00 0.00 H new ATOM 203 N GLY A 13 -4.978 6.758 -1.316 1.00 0.00 N ATOM 204 CA GLY A 13 -5.060 5.822 -2.419 1.00 0.00 C ATOM 205 C GLY A 13 -6.073 6.253 -3.462 1.00 0.00 C ATOM 206 O GLY A 13 -7.275 6.290 -3.192 1.00 0.00 O ATOM 0 H GLY A 13 -5.200 6.361 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.079 5.726 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.330 4.837 -2.038 1.00 0.00 H new ATOM 210 N GLN A 14 -5.583 6.576 -4.655 1.00 0.00 N ATOM 211 CA GLN A 14 -6.436 7.009 -5.763 1.00 0.00 C ATOM 212 C GLN A 14 -7.096 5.803 -6.438 1.00 0.00 C ATOM 213 O GLN A 14 -7.159 5.713 -7.669 1.00 0.00 O ATOM 214 CB GLN A 14 -5.594 7.806 -6.775 1.00 0.00 C ATOM 215 CG GLN A 14 -4.849 8.984 -6.153 1.00 0.00 C ATOM 216 CD GLN A 14 -5.776 10.024 -5.543 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.894 10.231 -6.017 1.00 0.00 O ATOM 218 NE2 GLN A 14 -5.327 10.673 -4.480 1.00 0.00 N ATOM 0 H GLN A 14 -4.589 6.546 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.228 7.650 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.872 7.136 -7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.246 8.176 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.173 8.612 -5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.232 9.459 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.395 10.474 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.913 11.372 -4.024 1.00 0.00 H new ATOM 227 N LEU A 15 -7.589 4.881 -5.614 1.00 0.00 N ATOM 228 CA LEU A 15 -8.249 3.675 -6.087 1.00 0.00 C ATOM 229 C LEU A 15 -9.684 4.015 -6.504 1.00 0.00 C ATOM 230 O LEU A 15 -10.412 4.662 -5.750 1.00 0.00 O ATOM 231 CB LEU A 15 -8.239 2.619 -4.964 1.00 0.00 C ATOM 232 CG LEU A 15 -8.634 1.187 -5.375 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.639 0.616 -6.379 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.735 0.284 -4.148 1.00 0.00 C ATOM 0 H LEU A 15 -7.540 4.953 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.723 3.270 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.239 2.588 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.917 2.949 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.613 1.230 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.939 -0.395 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.620 1.244 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.645 0.591 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.015 -0.723 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.771 0.252 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.491 0.677 -3.468 1.00 0.00 H new ATOM 246 N PRO A 16 -10.109 3.597 -7.716 1.00 0.00 N ATOM 247 CA PRO A 16 -11.453 3.894 -8.233 1.00 0.00 C ATOM 248 C PRO A 16 -12.515 2.961 -7.652 1.00 0.00 C ATOM 249 O PRO A 16 -13.698 3.052 -7.991 1.00 0.00 O ATOM 250 CB PRO A 16 -11.298 3.658 -9.739 1.00 0.00 C ATOM 251 CG PRO A 16 -10.245 2.604 -9.851 1.00 0.00 C ATOM 252 CD PRO A 16 -9.315 2.801 -8.676 1.00 0.00 C ATOM 0 HA PRO A 16 -11.786 4.899 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.236 3.330 -10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.001 4.571 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.689 1.609 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.704 2.694 -10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.009 1.847 -8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.405 3.324 -8.971 1.00 0.00 H new ATOM 260 N THR A 17 -12.079 2.069 -6.780 1.00 0.00 N ATOM 261 CA THR A 17 -12.925 1.052 -6.201 1.00 0.00 C ATOM 262 C THR A 17 -12.742 1.027 -4.676 1.00 0.00 C ATOM 263 O THR A 17 -11.625 1.199 -4.188 1.00 0.00 O ATOM 264 CB THR A 17 -12.558 -0.307 -6.831 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.990 -0.344 -8.198 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.150 -1.475 -6.068 1.00 0.00 C ATOM 0 H THR A 17 -11.114 2.034 -6.453 1.00 0.00 H new ATOM 0 HA THR A 17 -13.974 1.267 -6.405 1.00 0.00 H new ATOM 0 HB THR A 17 -11.474 -0.406 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.234 -0.582 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.863 -2.409 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.777 -1.467 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.237 -1.391 -6.059 1.00 0.00 H new ATOM 274 N PRO A 18 -13.833 0.845 -3.904 1.00 0.00 N ATOM 275 CA PRO A 18 -13.776 0.858 -2.434 1.00 0.00 C ATOM 276 C PRO A 18 -12.812 -0.193 -1.873 1.00 0.00 C ATOM 277 O PRO A 18 -12.771 -1.335 -2.338 1.00 0.00 O ATOM 278 CB PRO A 18 -15.227 0.565 -2.004 1.00 0.00 C ATOM 279 CG PRO A 18 -15.891 -0.006 -3.214 1.00 0.00 C ATOM 280 CD PRO A 18 -15.201 0.615 -4.397 1.00 0.00 C ATOM 0 HA PRO A 18 -13.399 1.808 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.256 -0.138 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.729 1.473 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.798 -1.092 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.957 0.223 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.211 -0.047 -5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.681 1.545 -4.701 1.00 0.00 H new ATOM 288 N VAL A 19 -12.054 0.203 -0.853 1.00 0.00 N ATOM 289 CA VAL A 19 -11.069 -0.670 -0.217 1.00 0.00 C ATOM 290 C VAL A 19 -11.766 -1.817 0.517 1.00 0.00 C ATOM 291 O VAL A 19 -11.151 -2.830 0.859 1.00 0.00 O ATOM 292 CB VAL A 19 -10.182 0.136 0.770 1.00 0.00 C ATOM 293 CG1 VAL A 19 -9.117 -0.745 1.423 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.541 1.325 0.055 1.00 0.00 C ATOM 0 H VAL A 19 -12.105 1.136 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.431 -1.089 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.824 0.510 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.517 -0.144 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.600 -1.550 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.473 -1.169 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.922 1.882 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.922 0.965 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.321 1.978 -0.337 1.00 0.00 H new ATOM 304 N ASP A 20 -13.064 -1.651 0.735 1.00 0.00 N ATOM 305 CA ASP A 20 -13.878 -2.653 1.418 1.00 0.00 C ATOM 306 C ASP A 20 -13.858 -3.998 0.681 1.00 0.00 C ATOM 307 O ASP A 20 -13.995 -5.052 1.301 1.00 0.00 O ATOM 308 CB ASP A 20 -15.323 -2.148 1.547 1.00 0.00 C ATOM 309 CG ASP A 20 -16.210 -3.075 2.370 1.00 0.00 C ATOM 310 OD1 ASP A 20 -16.274 -2.899 3.607 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.860 -3.971 1.784 1.00 0.00 O ATOM 0 H ASP A 20 -13.583 -0.822 0.445 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.453 -2.811 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.316 -1.159 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.752 -2.034 0.551 1.00 0.00 H new ATOM 316 N THR A 21 -13.673 -3.960 -0.643 1.00 0.00 N ATOM 317 CA THR A 21 -13.759 -5.174 -1.462 1.00 0.00 C ATOM 318 C THR A 21 -12.395 -5.856 -1.633 1.00 0.00 C ATOM 319 O THR A 21 -12.321 -6.982 -2.133 1.00 0.00 O ATOM 320 CB THR A 21 -14.366 -4.880 -2.857 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.670 -6.109 -3.537 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.414 -4.055 -3.716 1.00 0.00 C ATOM 0 H THR A 21 -13.465 -3.110 -1.167 1.00 0.00 H new ATOM 0 HA THR A 21 -14.419 -5.854 -0.924 1.00 0.00 H new ATOM 0 HB THR A 21 -15.280 -4.307 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.013 -6.792 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.871 -3.867 -4.688 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.208 -3.106 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.481 -4.602 -3.854 1.00 0.00 H new ATOM 330 N ILE A 22 -11.320 -5.183 -1.229 1.00 0.00 N ATOM 331 CA ILE A 22 -9.977 -5.757 -1.339 1.00 0.00 C ATOM 332 C ILE A 22 -9.477 -6.214 0.031 1.00 0.00 C ATOM 333 O ILE A 22 -10.096 -5.916 1.056 1.00 0.00 O ATOM 334 CB ILE A 22 -8.964 -4.764 -1.973 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.941 -3.435 -1.201 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.296 -4.530 -3.448 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.967 -2.409 -1.751 1.00 0.00 C ATOM 0 H ILE A 22 -11.349 -4.247 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.050 -6.619 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.969 -5.205 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.943 -3.007 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.688 -3.637 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.577 -3.832 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.248 -5.477 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.300 -4.114 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.015 -1.502 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.955 -2.814 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.230 -2.173 -2.782 1.00 0.00 H new ATOM 349 N ALA A 23 -8.364 -6.939 0.042 1.00 0.00 N ATOM 350 CA ALA A 23 -7.813 -7.495 1.274 1.00 0.00 C ATOM 351 C ALA A 23 -6.310 -7.711 1.140 1.00 0.00 C ATOM 352 O ALA A 23 -5.747 -7.527 0.061 1.00 0.00 O ATOM 353 CB ALA A 23 -8.518 -8.803 1.626 1.00 0.00 C ATOM 0 H ALA A 23 -7.822 -7.157 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.982 -6.784 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.097 -9.207 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.583 -8.616 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.378 -9.521 0.818 1.00 0.00 H new ATOM 359 N ASP A 24 -5.675 -8.124 2.233 1.00 0.00 N ATOM 360 CA ASP A 24 -4.218 -8.268 2.284 1.00 0.00 C ATOM 361 C ASP A 24 -3.716 -9.355 1.334 1.00 0.00 C ATOM 362 O ASP A 24 -2.602 -9.262 0.812 1.00 0.00 O ATOM 363 CB ASP A 24 -3.757 -8.570 3.719 1.00 0.00 C ATOM 364 CG ASP A 24 -4.298 -9.892 4.245 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.531 -10.022 4.376 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.498 -10.807 4.527 1.00 0.00 O ATOM 0 H ASP A 24 -6.148 -8.367 3.103 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.789 -7.320 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.668 -8.590 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.079 -7.763 4.377 1.00 0.00 H new ATOM 371 N GLU A 25 -4.532 -10.383 1.117 1.00 0.00 N ATOM 372 CA GLU A 25 -4.166 -11.490 0.228 1.00 0.00 C ATOM 373 C GLU A 25 -4.863 -11.361 -1.126 1.00 0.00 C ATOM 374 O GLU A 25 -4.874 -12.308 -1.918 1.00 0.00 O ATOM 375 CB GLU A 25 -4.523 -12.835 0.875 1.00 0.00 C ATOM 376 CG GLU A 25 -3.785 -13.099 2.180 1.00 0.00 C ATOM 377 CD GLU A 25 -4.149 -14.432 2.807 1.00 0.00 C ATOM 378 OE1 GLU A 25 -3.490 -15.444 2.488 1.00 0.00 O ATOM 379 OE2 GLU A 25 -5.090 -14.474 3.627 1.00 0.00 O ATOM 0 H GLU A 25 -5.454 -10.476 1.544 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.089 -11.448 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.596 -12.865 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.299 -13.637 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.711 -13.071 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.008 -12.299 2.886 1.00 0.00 H new ATOM 386 N ALA A 26 -5.433 -10.192 -1.390 1.00 0.00 N ATOM 387 CA ALA A 26 -6.124 -9.937 -2.651 1.00 0.00 C ATOM 388 C ALA A 26 -5.327 -8.947 -3.494 1.00 0.00 C ATOM 389 O ALA A 26 -4.870 -7.925 -2.987 1.00 0.00 O ATOM 390 CB ALA A 26 -7.529 -9.407 -2.388 1.00 0.00 C ATOM 0 H ALA A 26 -5.431 -9.401 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.208 -10.874 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.032 -9.222 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.094 -10.143 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.467 -8.477 -1.823 1.00 0.00 H new ATOM 396 N ASP A 27 -5.162 -9.254 -4.776 1.00 0.00 N ATOM 397 CA ASP A 27 -4.400 -8.397 -5.679 1.00 0.00 C ATOM 398 C ASP A 27 -5.120 -7.063 -5.885 1.00 0.00 C ATOM 399 O ASP A 27 -6.145 -6.983 -6.566 1.00 0.00 O ATOM 400 CB ASP A 27 -4.132 -9.109 -7.019 1.00 0.00 C ATOM 401 CG ASP A 27 -5.390 -9.576 -7.740 1.00 0.00 C ATOM 402 OD1 ASP A 27 -6.238 -10.245 -7.109 1.00 0.00 O ATOM 403 OD2 ASP A 27 -5.517 -9.318 -8.957 1.00 0.00 O ATOM 0 H ASP A 27 -5.546 -10.091 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.432 -8.188 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.582 -8.433 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.489 -9.971 -6.838 1.00 0.00 H new ATOM 408 N LEU A 28 -4.576 -6.017 -5.267 1.00 0.00 N ATOM 409 CA LEU A 28 -5.203 -4.697 -5.252 1.00 0.00 C ATOM 410 C LEU A 28 -5.355 -4.122 -6.659 1.00 0.00 C ATOM 411 O LEU A 28 -6.303 -3.382 -6.936 1.00 0.00 O ATOM 412 CB LEU A 28 -4.387 -3.726 -4.388 1.00 0.00 C ATOM 413 CG LEU A 28 -4.005 -4.231 -2.986 1.00 0.00 C ATOM 414 CD1 LEU A 28 -3.408 -3.101 -2.153 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.204 -4.857 -2.279 1.00 0.00 C ATOM 0 H LEU A 28 -3.690 -6.060 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.199 -4.819 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.472 -3.475 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.956 -2.803 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.248 -5.007 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.144 -3.478 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.514 -2.718 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.138 -2.298 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.903 -5.205 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.995 -4.114 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.572 -5.700 -2.864 1.00 0.00 H new ATOM 427 N TYR A 29 -4.423 -4.455 -7.549 1.00 0.00 N ATOM 428 CA TYR A 29 -4.448 -3.912 -8.905 1.00 0.00 C ATOM 429 C TYR A 29 -5.695 -4.372 -9.663 1.00 0.00 C ATOM 430 O TYR A 29 -6.113 -3.727 -10.626 1.00 0.00 O ATOM 431 CB TYR A 29 -3.160 -4.251 -9.676 1.00 0.00 C ATOM 432 CG TYR A 29 -2.838 -5.732 -9.802 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.355 -6.492 -10.845 1.00 0.00 C ATOM 434 CD2 TYR A 29 -1.989 -6.360 -8.893 1.00 0.00 C ATOM 435 CE1 TYR A 29 -3.038 -7.830 -10.979 1.00 0.00 C ATOM 436 CE2 TYR A 29 -1.671 -7.699 -9.020 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.197 -8.430 -10.065 1.00 0.00 C ATOM 438 OH TYR A 29 -1.875 -9.764 -10.200 1.00 0.00 O ATOM 0 H TYR A 29 -3.649 -5.091 -7.359 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.496 -2.826 -8.822 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.236 -3.828 -10.678 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.323 -3.756 -9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.016 -6.029 -11.563 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.572 -5.791 -8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.447 -8.404 -11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.014 -8.171 -8.305 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.272 -10.030 -9.475 1.00 0.00 H new ATOM 448 N ALA A 30 -6.299 -5.470 -9.209 1.00 0.00 N ATOM 449 CA ALA A 30 -7.557 -5.951 -9.779 1.00 0.00 C ATOM 450 C ALA A 30 -8.667 -4.924 -9.558 1.00 0.00 C ATOM 451 O ALA A 30 -9.526 -4.729 -10.416 1.00 0.00 O ATOM 452 CB ALA A 30 -7.943 -7.289 -9.160 1.00 0.00 C ATOM 0 H ALA A 30 -5.937 -6.044 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.421 -6.091 -10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.881 -7.634 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.160 -8.021 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.064 -7.170 -8.083 1.00 0.00 H new ATOM 458 N ALA A 31 -8.628 -4.263 -8.401 1.00 0.00 N ATOM 459 CA ALA A 31 -9.603 -3.226 -8.064 1.00 0.00 C ATOM 460 C ALA A 31 -9.318 -1.946 -8.846 1.00 0.00 C ATOM 461 O ALA A 31 -10.150 -1.041 -8.907 1.00 0.00 O ATOM 462 CB ALA A 31 -9.590 -2.949 -6.564 1.00 0.00 C ATOM 0 H ALA A 31 -7.928 -4.429 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.595 -3.584 -8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.321 -2.175 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.842 -3.861 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.597 -2.612 -6.265 1.00 0.00 H new ATOM 468 N GLY A 32 -8.129 -1.878 -9.436 1.00 0.00 N ATOM 469 CA GLY A 32 -7.762 -0.744 -10.269 1.00 0.00 C ATOM 470 C GLY A 32 -6.643 0.086 -9.677 1.00 0.00 C ATOM 471 O GLY A 32 -6.538 1.281 -9.953 1.00 0.00 O ATOM 0 H GLY A 32 -7.407 -2.593 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.459 -1.105 -11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.637 -0.111 -10.418 1.00 0.00 H new ATOM 475 N LEU A 33 -5.809 -0.541 -8.847 1.00 0.00 N ATOM 476 CA LEU A 33 -4.646 0.138 -8.286 1.00 0.00 C ATOM 477 C LEU A 33 -3.657 0.475 -9.406 1.00 0.00 C ATOM 478 O LEU A 33 -2.990 -0.412 -9.946 1.00 0.00 O ATOM 479 CB LEU A 33 -3.963 -0.736 -7.217 1.00 0.00 C ATOM 480 CG LEU A 33 -2.782 -0.073 -6.482 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.253 1.139 -5.678 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.072 -1.081 -5.578 1.00 0.00 C ATOM 0 H LEU A 33 -5.918 -1.511 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.977 1.060 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.710 -1.030 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.607 -1.650 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.069 0.274 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.402 1.590 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.702 1.870 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.991 0.822 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.242 -0.592 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.775 -1.465 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.692 -1.906 -6.181 1.00 0.00 H new ATOM 494 N SER A 34 -3.581 1.752 -9.758 1.00 0.00 N ATOM 495 CA SER A 34 -2.741 2.204 -10.861 1.00 0.00 C ATOM 496 C SER A 34 -1.378 2.661 -10.351 1.00 0.00 C ATOM 497 O SER A 34 -1.145 2.718 -9.139 1.00 0.00 O ATOM 498 CB SER A 34 -3.439 3.357 -11.591 1.00 0.00 C ATOM 499 OG SER A 34 -3.709 4.427 -10.698 1.00 0.00 O ATOM 0 H SER A 34 -4.095 2.499 -9.291 1.00 0.00 H new ATOM 0 HA SER A 34 -2.587 1.373 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.811 3.709 -12.409 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.370 3.003 -12.034 1.00 0.00 H new ATOM 0 HG SER A 34 -4.153 5.154 -11.183 1.00 0.00 H new ATOM 505 N SER A 35 -0.482 2.974 -11.282 1.00 0.00 N ATOM 506 CA SER A 35 0.830 3.517 -10.954 1.00 0.00 C ATOM 507 C SER A 35 0.685 4.740 -10.047 1.00 0.00 C ATOM 508 O SER A 35 1.258 4.794 -8.958 1.00 0.00 O ATOM 509 CB SER A 35 1.565 3.889 -12.246 1.00 0.00 C ATOM 510 OG SER A 35 0.742 4.699 -13.074 1.00 0.00 O ATOM 0 H SER A 35 -0.645 2.858 -12.282 1.00 0.00 H new ATOM 0 HA SER A 35 1.409 2.764 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.485 4.421 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.850 2.984 -12.782 1.00 0.00 H new ATOM 0 HG SER A 35 1.228 4.929 -13.894 1.00 0.00 H new ATOM 516 N PHE A 36 -0.113 5.703 -10.498 1.00 0.00 N ATOM 517 CA PHE A 36 -0.373 6.920 -9.735 1.00 0.00 C ATOM 518 C PHE A 36 -0.979 6.590 -8.371 1.00 0.00 C ATOM 519 O PHE A 36 -0.534 7.104 -7.344 1.00 0.00 O ATOM 520 CB PHE A 36 -1.316 7.849 -10.513 1.00 0.00 C ATOM 521 CG PHE A 36 -0.762 8.297 -11.845 1.00 0.00 C ATOM 522 CD1 PHE A 36 0.039 9.429 -11.932 1.00 0.00 C ATOM 523 CD2 PHE A 36 -1.037 7.587 -13.006 1.00 0.00 C ATOM 524 CE1 PHE A 36 0.549 9.842 -13.148 1.00 0.00 C ATOM 525 CE2 PHE A 36 -0.529 7.997 -14.222 1.00 0.00 C ATOM 526 CZ PHE A 36 0.266 9.125 -14.294 1.00 0.00 C ATOM 0 H PHE A 36 -0.595 5.663 -11.396 1.00 0.00 H new ATOM 0 HA PHE A 36 0.579 7.428 -9.578 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.264 7.336 -10.677 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.530 8.727 -9.904 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.266 9.993 -11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.656 6.703 -12.957 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.169 10.725 -13.202 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.753 7.436 -15.117 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.665 9.445 -15.245 1.00 0.00 H new ATOM 536 N ALA A 37 -1.982 5.714 -8.368 1.00 0.00 N ATOM 537 CA ALA A 37 -2.691 5.350 -7.142 1.00 0.00 C ATOM 538 C ALA A 37 -1.754 4.712 -6.117 1.00 0.00 C ATOM 539 O ALA A 37 -1.871 4.967 -4.914 1.00 0.00 O ATOM 540 CB ALA A 37 -3.854 4.414 -7.457 1.00 0.00 C ATOM 0 H ALA A 37 -2.323 5.241 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.085 6.267 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.371 4.153 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.549 4.912 -8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.474 3.508 -7.929 1.00 0.00 H new ATOM 546 N SER A 38 -0.823 3.892 -6.596 1.00 0.00 N ATOM 547 CA SER A 38 0.111 3.197 -5.716 1.00 0.00 C ATOM 548 C SER A 38 1.181 4.155 -5.188 1.00 0.00 C ATOM 549 O SER A 38 1.472 4.173 -3.992 1.00 0.00 O ATOM 550 CB SER A 38 0.751 2.008 -6.449 1.00 0.00 C ATOM 551 OG SER A 38 1.293 2.398 -7.699 1.00 0.00 O ATOM 0 H SER A 38 -0.695 3.693 -7.588 1.00 0.00 H new ATOM 0 HA SER A 38 -0.444 2.814 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.537 1.578 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.004 1.229 -6.602 1.00 0.00 H new ATOM 0 HG SER A 38 1.156 3.360 -7.829 1.00 0.00 H new ATOM 557 N VAL A 39 1.748 4.962 -6.080 1.00 0.00 N ATOM 558 CA VAL A 39 2.757 5.945 -5.693 1.00 0.00 C ATOM 559 C VAL A 39 2.163 6.970 -4.725 1.00 0.00 C ATOM 560 O VAL A 39 2.835 7.438 -3.803 1.00 0.00 O ATOM 561 CB VAL A 39 3.345 6.673 -6.932 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.324 7.773 -6.514 1.00 0.00 C ATOM 563 CG2 VAL A 39 4.024 5.674 -7.870 1.00 0.00 C ATOM 0 H VAL A 39 1.527 4.955 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 39 3.565 5.407 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 39 2.521 7.145 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.719 8.265 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.806 8.505 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.145 7.333 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.430 6.203 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.832 5.169 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.295 4.937 -8.206 1.00 0.00 H new ATOM 573 N GLN A 40 0.891 7.290 -4.924 1.00 0.00 N ATOM 574 CA GLN A 40 0.215 8.295 -4.112 1.00 0.00 C ATOM 575 C GLN A 40 0.070 7.830 -2.660 1.00 0.00 C ATOM 576 O GLN A 40 0.168 8.632 -1.729 1.00 0.00 O ATOM 577 CB GLN A 40 -1.162 8.619 -4.708 1.00 0.00 C ATOM 578 CG GLN A 40 -1.856 9.812 -4.061 1.00 0.00 C ATOM 579 CD GLN A 40 -1.098 11.116 -4.253 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.402 11.306 -5.252 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.238 12.025 -3.304 1.00 0.00 N ATOM 0 H GLN A 40 0.304 6.867 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 40 0.825 9.198 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.048 8.814 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.803 7.743 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.857 9.915 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.976 9.621 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.824 11.829 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.760 12.923 -3.383 1.00 0.00 H new ATOM 590 N LEU A 41 -0.150 6.530 -2.466 1.00 0.00 N ATOM 591 CA LEU A 41 -0.309 5.984 -1.120 1.00 0.00 C ATOM 592 C LEU A 41 1.038 6.000 -0.394 1.00 0.00 C ATOM 593 O LEU A 41 1.097 6.003 0.836 1.00 0.00 O ATOM 594 CB LEU A 41 -0.908 4.556 -1.172 1.00 0.00 C ATOM 595 CG LEU A 41 0.080 3.389 -1.417 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.615 2.830 -0.097 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.580 2.280 -2.234 1.00 0.00 C ATOM 0 H LEU A 41 -0.222 5.842 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.008 6.608 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.425 4.371 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.662 4.533 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 41 0.922 3.784 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.306 2.012 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.136 3.618 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.215 2.461 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.134 1.472 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.447 1.898 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.898 2.678 -3.198 1.00 0.00 H new ATOM 609 N MET A 42 2.119 6.040 -1.173 1.00 0.00 N ATOM 610 CA MET A 42 3.471 6.028 -0.624 1.00 0.00 C ATOM 611 C MET A 42 3.762 7.321 0.128 1.00 0.00 C ATOM 612 O MET A 42 4.110 7.298 1.308 1.00 0.00 O ATOM 613 CB MET A 42 4.506 5.848 -1.741 1.00 0.00 C ATOM 614 CG MET A 42 4.292 4.607 -2.591 1.00 0.00 C ATOM 615 SD MET A 42 5.534 4.439 -3.886 1.00 0.00 S ATOM 616 CE MET A 42 7.043 4.523 -2.924 1.00 0.00 C ATOM 0 H MET A 42 2.082 6.081 -2.191 1.00 0.00 H new ATOM 0 HA MET A 42 3.540 5.190 0.069 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.484 6.726 -2.387 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.500 5.804 -1.297 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.315 3.724 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.301 4.647 -3.044 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.815 3.923 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.376 5.559 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.857 4.139 -1.921 1.00 0.00 H new ATOM 626 N LEU A 43 3.601 8.449 -0.563 1.00 0.00 N ATOM 627 CA LEU A 43 3.937 9.756 -0.001 1.00 0.00 C ATOM 628 C LEU A 43 3.140 10.036 1.276 1.00 0.00 C ATOM 629 O LEU A 43 3.625 10.710 2.188 1.00 0.00 O ATOM 630 CB LEU A 43 3.725 10.863 -1.056 1.00 0.00 C ATOM 631 CG LEU A 43 2.316 10.966 -1.684 1.00 0.00 C ATOM 632 CD1 LEU A 43 1.362 11.768 -0.800 1.00 0.00 C ATOM 633 CD2 LEU A 43 2.390 11.576 -3.082 1.00 0.00 C ATOM 0 H LEU A 43 3.239 8.483 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 43 4.991 9.749 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.962 11.822 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.445 10.709 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 43 1.920 9.954 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.382 11.819 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.270 11.282 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.752 12.777 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.387 11.639 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.821 12.575 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.014 10.950 -3.720 1.00 0.00 H new ATOM 645 N GLY A 44 1.922 9.507 1.339 1.00 0.00 N ATOM 646 CA GLY A 44 1.102 9.664 2.526 1.00 0.00 C ATOM 647 C GLY A 44 1.519 8.716 3.634 1.00 0.00 C ATOM 648 O GLY A 44 1.442 9.051 4.816 1.00 0.00 O ATOM 0 H GLY A 44 1.488 8.971 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.173 10.692 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.057 9.486 2.271 1.00 0.00 H new ATOM 652 N ILE A 45 1.947 7.521 3.249 1.00 0.00 N ATOM 653 CA ILE A 45 2.384 6.511 4.208 1.00 0.00 C ATOM 654 C ILE A 45 3.740 6.886 4.812 1.00 0.00 C ATOM 655 O ILE A 45 4.042 6.525 5.954 1.00 0.00 O ATOM 656 CB ILE A 45 2.407 5.089 3.560 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.085 4.350 3.857 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.612 4.261 4.007 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.786 4.183 5.335 1.00 0.00 C ATOM 0 H ILE A 45 2.002 7.225 2.274 1.00 0.00 H new ATOM 0 HA ILE A 45 1.661 6.479 5.023 1.00 0.00 H new ATOM 0 HB ILE A 45 2.507 5.221 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.264 4.895 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.119 3.365 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.579 3.283 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.531 4.774 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.586 4.136 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.159 3.655 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.585 3.611 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.717 5.164 5.805 1.00 0.00 H new ATOM 671 N GLU A 46 4.534 7.639 4.053 1.00 0.00 N ATOM 672 CA GLU A 46 5.822 8.132 4.536 1.00 0.00 C ATOM 673 C GLU A 46 5.629 8.918 5.831 1.00 0.00 C ATOM 674 O GLU A 46 6.226 8.604 6.863 1.00 0.00 O ATOM 675 CB GLU A 46 6.483 9.025 3.474 1.00 0.00 C ATOM 676 CG GLU A 46 7.869 9.531 3.867 1.00 0.00 C ATOM 677 CD GLU A 46 8.448 10.511 2.856 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.205 11.728 2.998 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.138 10.072 1.915 1.00 0.00 O ATOM 0 H GLU A 46 4.307 7.921 3.099 1.00 0.00 H new ATOM 0 HA GLU A 46 6.472 7.279 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.562 8.466 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.836 9.881 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.811 10.014 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.545 8.682 3.971 1.00 0.00 H new ATOM 686 N GLU A 47 4.759 9.918 5.778 1.00 0.00 N ATOM 687 CA GLU A 47 4.458 10.740 6.945 1.00 0.00 C ATOM 688 C GLU A 47 3.695 9.929 7.994 1.00 0.00 C ATOM 689 O GLU A 47 3.819 10.180 9.193 1.00 0.00 O ATOM 690 CB GLU A 47 3.655 11.990 6.543 1.00 0.00 C ATOM 691 CG GLU A 47 2.355 11.683 5.808 1.00 0.00 C ATOM 692 CD GLU A 47 1.518 12.923 5.540 1.00 0.00 C ATOM 693 OE1 GLU A 47 0.731 13.313 6.428 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.642 13.510 4.445 1.00 0.00 O ATOM 0 H GLU A 47 4.247 10.181 4.936 1.00 0.00 H new ATOM 0 HA GLU A 47 5.402 11.066 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.426 12.566 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.278 12.621 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.586 11.195 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.770 10.976 6.396 1.00 0.00 H new ATOM 701 N ALA A 48 2.916 8.952 7.527 1.00 0.00 N ATOM 702 CA ALA A 48 2.027 8.186 8.397 1.00 0.00 C ATOM 703 C ALA A 48 2.770 7.515 9.556 1.00 0.00 C ATOM 704 O ALA A 48 2.361 7.655 10.712 1.00 0.00 O ATOM 705 CB ALA A 48 1.262 7.145 7.590 1.00 0.00 C ATOM 0 H ALA A 48 2.884 8.673 6.546 1.00 0.00 H new ATOM 0 HA ALA A 48 1.325 8.895 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.604 6.583 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.667 7.643 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.967 6.463 7.114 1.00 0.00 H new ATOM 711 N PHE A 49 3.857 6.787 9.270 1.00 0.00 N ATOM 712 CA PHE A 49 4.592 6.114 10.347 1.00 0.00 C ATOM 713 C PHE A 49 6.092 6.416 10.336 1.00 0.00 C ATOM 714 O PHE A 49 6.700 6.509 11.405 1.00 0.00 O ATOM 715 CB PHE A 49 4.342 4.592 10.335 1.00 0.00 C ATOM 716 CG PHE A 49 4.843 3.854 9.116 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.161 3.416 9.042 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.993 3.572 8.056 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.618 2.724 7.937 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.447 2.877 6.952 1.00 0.00 C ATOM 721 CZ PHE A 49 5.760 2.453 6.891 1.00 0.00 C ATOM 0 H PHE A 49 4.237 6.651 8.333 1.00 0.00 H new ATOM 0 HA PHE A 49 4.198 6.525 11.277 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.812 4.159 11.218 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.270 4.418 10.427 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.837 3.620 9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.965 3.900 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.646 2.395 7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.774 2.665 6.135 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.114 1.911 6.027 1.00 0.00 H new ATOM 731 N ASP A 50 6.694 6.601 9.155 1.00 0.00 N ATOM 732 CA ASP A 50 8.144 6.825 9.084 1.00 0.00 C ATOM 733 C ASP A 50 8.621 7.078 7.651 1.00 0.00 C ATOM 734 O ASP A 50 8.993 8.203 7.306 1.00 0.00 O ATOM 735 CB ASP A 50 8.898 5.626 9.683 1.00 0.00 C ATOM 736 CG ASP A 50 10.370 5.916 9.919 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.680 6.719 10.825 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.217 5.347 9.209 1.00 0.00 O ATOM 0 H ASP A 50 6.214 6.601 8.255 1.00 0.00 H new ATOM 0 HA ASP A 50 8.361 7.721 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.432 5.344 10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.803 4.771 9.013 1.00 0.00 H new ATOM 743 N ILE A 51 8.605 6.034 6.817 1.00 0.00 N ATOM 744 CA ILE A 51 9.074 6.139 5.430 1.00 0.00 C ATOM 745 C ILE A 51 8.110 5.447 4.473 1.00 0.00 C ATOM 746 O ILE A 51 7.151 4.799 4.901 1.00 0.00 O ATOM 747 CB ILE A 51 10.498 5.535 5.214 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.504 3.988 5.327 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.510 6.154 6.173 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.130 3.433 6.690 1.00 0.00 C ATOM 0 H ILE A 51 8.272 5.106 7.077 1.00 0.00 H new ATOM 0 HA ILE A 51 9.121 7.208 5.221 1.00 0.00 H new ATOM 0 HB ILE A 51 10.795 5.784 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.813 3.584 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.498 3.625 5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.492 5.714 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.559 7.230 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.203 5.961 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.165 2.344 6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.834 3.799 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.122 3.757 6.951 1.00 0.00 H new ATOM 762 N GLU A 52 8.373 5.596 3.179 1.00 0.00 N ATOM 763 CA GLU A 52 7.598 4.927 2.142 1.00 0.00 C ATOM 764 C GLU A 52 8.391 3.759 1.553 1.00 0.00 C ATOM 765 O GLU A 52 9.590 3.611 1.810 1.00 0.00 O ATOM 766 CB GLU A 52 7.158 5.921 1.046 1.00 0.00 C ATOM 767 CG GLU A 52 8.141 7.059 0.770 1.00 0.00 C ATOM 768 CD GLU A 52 9.511 6.587 0.318 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.684 6.314 -0.889 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.422 6.496 1.167 1.00 0.00 O ATOM 0 H GLU A 52 9.127 6.182 2.821 1.00 0.00 H new ATOM 0 HA GLU A 52 6.692 4.525 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.996 5.369 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.198 6.352 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.721 7.712 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.253 7.658 1.674 1.00 0.00 H new ATOM 777 N PHE A 53 7.706 2.929 0.779 1.00 0.00 N ATOM 778 CA PHE A 53 8.287 1.707 0.236 1.00 0.00 C ATOM 779 C PHE A 53 9.427 2.018 -0.744 1.00 0.00 C ATOM 780 O PHE A 53 9.236 2.760 -1.708 1.00 0.00 O ATOM 781 CB PHE A 53 7.191 0.884 -0.445 1.00 0.00 C ATOM 782 CG PHE A 53 6.019 0.615 0.466 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.166 -0.193 1.584 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.776 1.182 0.213 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.099 -0.431 2.430 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.706 0.944 1.055 1.00 0.00 C ATOM 787 CZ PHE A 53 3.868 0.137 2.164 1.00 0.00 C ATOM 0 H PHE A 53 6.734 3.082 0.510 1.00 0.00 H new ATOM 0 HA PHE A 53 8.715 1.128 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.843 1.412 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.610 -0.064 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.125 -0.641 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.644 1.816 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.228 -1.060 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.744 1.389 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.033 -0.050 2.823 1.00 0.00 H new ATOM 797 N PRO A 54 10.625 1.445 -0.506 1.00 0.00 N ATOM 798 CA PRO A 54 11.818 1.720 -1.320 1.00 0.00 C ATOM 799 C PRO A 54 11.721 1.143 -2.733 1.00 0.00 C ATOM 800 O PRO A 54 10.996 0.171 -2.979 1.00 0.00 O ATOM 801 CB PRO A 54 12.948 1.041 -0.531 1.00 0.00 C ATOM 802 CG PRO A 54 12.270 -0.057 0.210 1.00 0.00 C ATOM 803 CD PRO A 54 10.912 0.483 0.576 1.00 0.00 C ATOM 0 HA PRO A 54 11.966 2.789 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.721 0.655 -1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.434 1.740 0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.183 -0.952 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.834 -0.337 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.163 -0.308 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.922 0.967 1.552 1.00 0.00 H new ATOM 811 N ASP A 55 12.487 1.740 -3.642 1.00 0.00 N ATOM 812 CA ASP A 55 12.491 1.369 -5.059 1.00 0.00 C ATOM 813 C ASP A 55 12.767 -0.122 -5.245 1.00 0.00 C ATOM 814 O ASP A 55 12.210 -0.759 -6.142 1.00 0.00 O ATOM 815 CB ASP A 55 13.552 2.186 -5.810 1.00 0.00 C ATOM 816 CG ASP A 55 14.973 1.879 -5.344 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.221 1.908 -4.120 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.848 1.618 -6.198 1.00 0.00 O ATOM 0 H ASP A 55 13.128 2.501 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 55 11.503 1.586 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.473 1.982 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.351 3.248 -5.672 1.00 0.00 H new ATOM 823 N ASN A 56 13.623 -0.669 -4.385 1.00 0.00 N ATOM 824 CA ASN A 56 14.017 -2.079 -4.456 1.00 0.00 C ATOM 825 C ASN A 56 12.804 -3.011 -4.466 1.00 0.00 C ATOM 826 O ASN A 56 12.802 -4.025 -5.167 1.00 0.00 O ATOM 827 CB ASN A 56 14.943 -2.446 -3.286 1.00 0.00 C ATOM 828 CG ASN A 56 16.315 -1.796 -3.388 1.00 0.00 C ATOM 829 OD1 ASN A 56 17.227 -2.341 -4.012 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.475 -0.636 -2.770 1.00 0.00 N ATOM 0 H ASN A 56 14.062 -0.153 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 56 14.554 -2.212 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.473 -2.145 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.062 -3.529 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.378 -0.162 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.696 -0.216 -2.263 1.00 0.00 H new ATOM 837 N LEU A 57 11.769 -2.668 -3.699 1.00 0.00 N ATOM 838 CA LEU A 57 10.587 -3.524 -3.588 1.00 0.00 C ATOM 839 C LEU A 57 9.357 -2.851 -4.196 1.00 0.00 C ATOM 840 O LEU A 57 8.261 -3.415 -4.171 1.00 0.00 O ATOM 841 CB LEU A 57 10.335 -3.907 -2.112 1.00 0.00 C ATOM 842 CG LEU A 57 9.991 -2.748 -1.146 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.506 -2.382 -1.209 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.393 -3.100 0.285 1.00 0.00 C ATOM 0 H LEU A 57 11.724 -1.810 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 57 10.775 -4.437 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.519 -4.630 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.224 -4.413 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 57 10.562 -1.876 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.303 -1.565 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.250 -2.072 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.906 -3.249 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.142 -2.272 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.858 -3.994 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.466 -3.286 0.326 1.00 0.00 H new ATOM 856 N LEU A 58 9.542 -1.650 -4.740 1.00 0.00 N ATOM 857 CA LEU A 58 8.440 -0.889 -5.325 1.00 0.00 C ATOM 858 C LEU A 58 7.951 -1.586 -6.599 1.00 0.00 C ATOM 859 O LEU A 58 8.316 -1.205 -7.712 1.00 0.00 O ATOM 860 CB LEU A 58 8.889 0.558 -5.619 1.00 0.00 C ATOM 861 CG LEU A 58 7.785 1.640 -5.630 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.394 3.021 -5.862 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.715 1.351 -6.684 1.00 0.00 C ATOM 0 H LEU A 58 10.447 -1.182 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 58 7.613 -0.846 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.634 0.840 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.386 0.569 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 58 7.301 1.622 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.603 3.771 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.102 3.245 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.912 3.034 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.958 2.135 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.175 1.323 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.248 0.389 -6.474 1.00 0.00 H new ATOM 875 N ASN A 59 7.153 -2.632 -6.415 1.00 0.00 N ATOM 876 CA ASN A 59 6.614 -3.416 -7.524 1.00 0.00 C ATOM 877 C ASN A 59 5.145 -3.725 -7.269 1.00 0.00 C ATOM 878 O ASN A 59 4.728 -3.842 -6.114 1.00 0.00 O ATOM 879 CB ASN A 59 7.397 -4.733 -7.697 1.00 0.00 C ATOM 880 CG ASN A 59 8.859 -4.534 -8.084 1.00 0.00 C ATOM 881 OD1 ASN A 59 9.726 -5.323 -7.698 1.00 0.00 O ATOM 882 ND2 ASN A 59 9.147 -3.498 -8.861 1.00 0.00 N ATOM 0 H ASN A 59 6.861 -2.961 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 59 6.713 -2.831 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.351 -5.297 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.908 -5.338 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.109 -3.335 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.406 -2.865 -9.162 1.00 0.00 H new ATOM 889 N ARG A 60 4.375 -3.878 -8.347 1.00 0.00 N ATOM 890 CA ARG A 60 2.938 -4.153 -8.256 1.00 0.00 C ATOM 891 C ARG A 60 2.684 -5.374 -7.372 1.00 0.00 C ATOM 892 O ARG A 60 1.709 -5.420 -6.621 1.00 0.00 O ATOM 893 CB ARG A 60 2.358 -4.391 -9.658 1.00 0.00 C ATOM 894 CG ARG A 60 2.609 -3.241 -10.630 1.00 0.00 C ATOM 895 CD ARG A 60 2.185 -3.594 -12.053 1.00 0.00 C ATOM 896 NE ARG A 60 0.735 -3.771 -12.181 1.00 0.00 N ATOM 897 CZ ARG A 60 0.145 -4.900 -12.585 1.00 0.00 C ATOM 898 NH1 ARG A 60 0.864 -6.003 -12.779 1.00 0.00 N ATOM 899 NH2 ARG A 60 -1.170 -4.927 -12.773 1.00 0.00 N ATOM 0 H ARG A 60 4.726 -3.816 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 60 2.446 -3.289 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.789 -5.303 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.284 -4.556 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.062 -2.359 -10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.668 -2.983 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.513 -2.807 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.688 -4.511 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 60 0.136 -2.979 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.871 -5.990 -12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.408 -6.862 -13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.726 -4.088 -12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.624 -5.787 -13.081 1.00 0.00 H new ATOM 913 N LYS A 61 3.589 -6.348 -7.464 1.00 0.00 N ATOM 914 CA LYS A 61 3.535 -7.561 -6.650 1.00 0.00 C ATOM 915 C LYS A 61 3.439 -7.221 -5.166 1.00 0.00 C ATOM 916 O LYS A 61 2.533 -7.679 -4.464 1.00 0.00 O ATOM 917 CB LYS A 61 4.789 -8.417 -6.926 1.00 0.00 C ATOM 918 CG LYS A 61 5.022 -9.583 -5.948 1.00 0.00 C ATOM 919 CD LYS A 61 5.860 -9.189 -4.727 1.00 0.00 C ATOM 920 CE LYS A 61 7.221 -8.618 -5.116 1.00 0.00 C ATOM 921 NZ LYS A 61 8.077 -9.614 -5.811 1.00 0.00 N ATOM 0 H LYS A 61 4.381 -6.318 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 61 2.643 -8.126 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.717 -8.821 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.664 -7.767 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.058 -9.964 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.520 -10.397 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.315 -8.452 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.004 -10.062 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.077 -7.753 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.733 -8.265 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.996 -9.183 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.224 -10.437 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.611 -9.920 -6.689 1.00 0.00 H new ATOM 935 N SER A 62 4.375 -6.403 -4.704 1.00 0.00 N ATOM 936 CA SER A 62 4.484 -6.076 -3.292 1.00 0.00 C ATOM 937 C SER A 62 3.224 -5.370 -2.799 1.00 0.00 C ATOM 938 O SER A 62 2.661 -5.738 -1.769 1.00 0.00 O ATOM 939 CB SER A 62 5.719 -5.206 -3.069 1.00 0.00 C ATOM 940 OG SER A 62 6.870 -5.805 -3.644 1.00 0.00 O ATOM 0 H SER A 62 5.074 -5.951 -5.293 1.00 0.00 H new ATOM 0 HA SER A 62 4.589 -6.997 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.559 -4.221 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.876 -5.058 -2.001 1.00 0.00 H new ATOM 0 HG SER A 62 7.498 -5.106 -3.922 1.00 0.00 H new ATOM 946 N PHE A 63 2.780 -4.369 -3.555 1.00 0.00 N ATOM 947 CA PHE A 63 1.573 -3.620 -3.213 1.00 0.00 C ATOM 948 C PHE A 63 0.336 -4.516 -3.269 1.00 0.00 C ATOM 949 O PHE A 63 -0.630 -4.294 -2.543 1.00 0.00 O ATOM 950 CB PHE A 63 1.401 -2.414 -4.150 1.00 0.00 C ATOM 951 CG PHE A 63 2.429 -1.327 -3.936 1.00 0.00 C ATOM 952 CD1 PHE A 63 3.680 -1.407 -4.529 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.144 -0.228 -3.137 1.00 0.00 C ATOM 954 CE1 PHE A 63 4.624 -0.417 -4.331 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.084 0.766 -2.937 1.00 0.00 C ATOM 956 CZ PHE A 63 4.326 0.671 -3.534 1.00 0.00 C ATOM 0 H PHE A 63 3.239 -4.057 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 63 1.683 -3.256 -2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.457 -2.757 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.406 -1.994 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.920 -2.254 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.176 -0.148 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.594 -0.494 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.847 1.616 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.062 1.446 -3.378 1.00 0.00 H new ATOM 966 N ALA A 64 0.373 -5.528 -4.137 1.00 0.00 N ATOM 967 CA ALA A 64 -0.737 -6.467 -4.269 1.00 0.00 C ATOM 968 C ALA A 64 -0.878 -7.318 -3.008 1.00 0.00 C ATOM 969 O ALA A 64 -1.967 -7.440 -2.449 1.00 0.00 O ATOM 970 CB ALA A 64 -0.541 -7.356 -5.493 1.00 0.00 C ATOM 0 H ALA A 64 1.160 -5.717 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.655 -5.895 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.377 -8.050 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.493 -6.737 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.387 -7.918 -5.390 1.00 0.00 H new ATOM 976 N SER A 65 0.232 -7.899 -2.565 1.00 0.00 N ATOM 977 CA SER A 65 0.235 -8.734 -1.371 1.00 0.00 C ATOM 978 C SER A 65 0.592 -7.899 -0.141 1.00 0.00 C ATOM 979 O SER A 65 1.762 -7.802 0.244 1.00 0.00 O ATOM 980 CB SER A 65 1.210 -9.907 -1.546 1.00 0.00 C ATOM 981 OG SER A 65 2.484 -9.464 -1.984 1.00 0.00 O ATOM 0 H SER A 65 1.142 -7.806 -3.016 1.00 0.00 H new ATOM 0 HA SER A 65 -0.764 -9.144 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.314 -10.439 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.802 -10.616 -2.267 1.00 0.00 H new ATOM 0 HG SER A 65 3.082 -10.234 -2.084 1.00 0.00 H new ATOM 987 N ILE A 66 -0.428 -7.286 0.457 1.00 0.00 N ATOM 988 CA ILE A 66 -0.240 -6.377 1.586 1.00 0.00 C ATOM 989 C ILE A 66 0.496 -7.059 2.739 1.00 0.00 C ATOM 990 O ILE A 66 1.435 -6.496 3.298 1.00 0.00 O ATOM 991 CB ILE A 66 -1.592 -5.819 2.098 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.326 -5.077 0.968 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.378 -4.899 3.303 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.680 -4.528 1.370 1.00 0.00 C ATOM 0 H ILE A 66 -1.401 -7.404 0.175 1.00 0.00 H new ATOM 0 HA ILE A 66 0.368 -5.549 1.221 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.211 -6.656 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.700 -4.255 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.456 -5.756 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.340 -4.519 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.901 -5.459 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.740 -4.064 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.133 -4.019 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.325 -5.347 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.557 -3.822 2.191 1.00 0.00 H new ATOM 1006 N LYS A 67 0.079 -8.280 3.076 1.00 0.00 N ATOM 1007 CA LYS A 67 0.693 -9.019 4.186 1.00 0.00 C ATOM 1008 C LYS A 67 2.195 -9.208 3.956 1.00 0.00 C ATOM 1009 O LYS A 67 2.970 -9.307 4.905 1.00 0.00 O ATOM 1010 CB LYS A 67 0.020 -10.387 4.407 1.00 0.00 C ATOM 1011 CG LYS A 67 0.296 -11.427 3.319 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.556 -11.212 2.073 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.215 -12.215 0.975 1.00 0.00 C ATOM 1014 NZ LYS A 67 -0.313 -13.627 1.445 1.00 0.00 N ATOM 0 H LYS A 67 -0.675 -8.777 2.602 1.00 0.00 H new ATOM 0 HA LYS A 67 0.545 -8.420 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.352 -10.788 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.057 -10.237 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.350 -11.389 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.106 -12.424 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.611 -11.302 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.406 -10.199 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.889 -12.068 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.796 -12.024 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.642 -14.030 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.790 -13.653 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.859 -14.184 0.758 1.00 0.00 H new ATOM 1028 N ALA A 68 2.601 -9.255 2.691 1.00 0.00 N ATOM 1029 CA ALA A 68 4.005 -9.448 2.346 1.00 0.00 C ATOM 1030 C ALA A 68 4.769 -8.132 2.459 1.00 0.00 C ATOM 1031 O ALA A 68 5.820 -8.062 3.101 1.00 0.00 O ATOM 1032 CB ALA A 68 4.132 -10.025 0.941 1.00 0.00 C ATOM 0 H ALA A 68 1.978 -9.162 1.889 1.00 0.00 H new ATOM 0 HA ALA A 68 4.441 -10.157 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.186 -10.163 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.620 -10.986 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.681 -9.339 0.224 1.00 0.00 H new ATOM 1038 N ILE A 69 4.220 -7.083 1.850 1.00 0.00 N ATOM 1039 CA ILE A 69 4.883 -5.785 1.814 1.00 0.00 C ATOM 1040 C ILE A 69 4.983 -5.175 3.217 1.00 0.00 C ATOM 1041 O ILE A 69 5.956 -4.483 3.533 1.00 0.00 O ATOM 1042 CB ILE A 69 4.165 -4.807 0.845 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.038 -3.572 0.566 1.00 0.00 C ATOM 1044 CG2 ILE A 69 2.802 -4.386 1.392 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.446 -2.621 -0.458 1.00 0.00 C ATOM 0 H ILE A 69 3.318 -7.108 1.375 1.00 0.00 H new ATOM 0 HA ILE A 69 5.894 -5.948 1.439 1.00 0.00 H new ATOM 0 HB ILE A 69 4.003 -5.334 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.197 -3.033 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.017 -3.902 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.324 -3.701 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.174 -5.268 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.933 -3.888 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.119 -1.775 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.313 -3.143 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.480 -2.260 -0.104 1.00 0.00 H new ATOM 1057 N GLU A 70 3.986 -5.453 4.064 1.00 0.00 N ATOM 1058 CA GLU A 70 3.982 -4.943 5.435 1.00 0.00 C ATOM 1059 C GLU A 70 5.113 -5.577 6.234 1.00 0.00 C ATOM 1060 O GLU A 70 5.654 -4.969 7.156 1.00 0.00 O ATOM 1061 CB GLU A 70 2.617 -5.172 6.122 1.00 0.00 C ATOM 1062 CG GLU A 70 2.238 -6.636 6.383 1.00 0.00 C ATOM 1063 CD GLU A 70 2.786 -7.200 7.696 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.450 -6.660 8.770 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.536 -8.199 7.667 1.00 0.00 O ATOM 0 H GLU A 70 3.177 -6.025 3.824 1.00 0.00 H new ATOM 0 HA GLU A 70 4.145 -3.866 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.617 -4.641 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.841 -4.720 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.152 -6.723 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.603 -7.247 5.557 1.00 0.00 H new ATOM 1072 N ASP A 71 5.464 -6.805 5.869 1.00 0.00 N ATOM 1073 CA ASP A 71 6.550 -7.521 6.526 1.00 0.00 C ATOM 1074 C ASP A 71 7.896 -7.056 5.980 1.00 0.00 C ATOM 1075 O ASP A 71 8.859 -6.873 6.728 1.00 0.00 O ATOM 1076 CB ASP A 71 6.383 -9.033 6.326 1.00 0.00 C ATOM 1077 CG ASP A 71 7.351 -9.847 7.166 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.044 -10.101 8.352 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.414 -10.253 6.646 1.00 0.00 O ATOM 0 H ASP A 71 5.010 -7.326 5.119 1.00 0.00 H new ATOM 0 HA ASP A 71 6.518 -7.306 7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.362 -9.318 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.530 -9.274 5.273 1.00 0.00 H new ATOM 1084 N THR A 72 7.943 -6.836 4.669 1.00 0.00 N ATOM 1085 CA THR A 72 9.166 -6.416 3.996 1.00 0.00 C ATOM 1086 C THR A 72 9.595 -5.004 4.429 1.00 0.00 C ATOM 1087 O THR A 72 10.781 -4.684 4.442 1.00 0.00 O ATOM 1088 CB THR A 72 9.002 -6.471 2.459 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.517 -7.764 2.062 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.326 -6.197 1.753 1.00 0.00 C ATOM 0 H THR A 72 7.141 -6.943 4.048 1.00 0.00 H new ATOM 0 HA THR A 72 9.949 -7.115 4.290 1.00 0.00 H new ATOM 0 HB THR A 72 8.286 -5.701 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.595 -7.878 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.179 -6.242 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.687 -5.206 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.059 -6.946 2.051 1.00 0.00 H new ATOM 1098 N VAL A 73 8.631 -4.151 4.769 1.00 0.00 N ATOM 1099 CA VAL A 73 8.949 -2.795 5.223 1.00 0.00 C ATOM 1100 C VAL A 73 9.544 -2.814 6.642 1.00 0.00 C ATOM 1101 O VAL A 73 10.329 -1.938 7.011 1.00 0.00 O ATOM 1102 CB VAL A 73 7.714 -1.852 5.159 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.602 -2.325 6.086 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.111 -0.408 5.475 1.00 0.00 C ATOM 0 H VAL A 73 7.635 -4.369 4.740 1.00 0.00 H new ATOM 0 HA VAL A 73 9.698 -2.397 4.538 1.00 0.00 H new ATOM 0 HB VAL A 73 7.329 -1.884 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.755 -1.643 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.286 -3.327 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.968 -2.345 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.230 0.231 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.537 -0.359 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.850 -0.067 4.750 1.00 0.00 H new ATOM 1114 N LYS A 74 9.171 -3.825 7.429 1.00 0.00 N ATOM 1115 CA LYS A 74 9.644 -3.953 8.813 1.00 0.00 C ATOM 1116 C LYS A 74 11.168 -4.068 8.883 1.00 0.00 C ATOM 1117 O LYS A 74 11.808 -3.428 9.725 1.00 0.00 O ATOM 1118 CB LYS A 74 9.002 -5.178 9.480 1.00 0.00 C ATOM 1119 CG LYS A 74 7.492 -5.066 9.634 1.00 0.00 C ATOM 1120 CD LYS A 74 6.854 -6.404 9.998 1.00 0.00 C ATOM 1121 CE LYS A 74 5.336 -6.300 10.045 1.00 0.00 C ATOM 1122 NZ LYS A 74 4.684 -7.634 10.072 1.00 0.00 N ATOM 0 H LYS A 74 8.541 -4.570 7.132 1.00 0.00 H new ATOM 0 HA LYS A 74 9.350 -3.049 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.234 -6.065 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.450 -5.322 10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.260 -4.332 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.059 -4.699 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.146 -7.159 9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.228 -6.736 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.039 -5.734 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.984 -5.743 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.721 -7.542 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.639 -8.018 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.235 -8.278 10.675 1.00 0.00 H new ATOM 1136 N LEU A 75 11.748 -4.879 7.996 1.00 0.00 N ATOM 1137 CA LEU A 75 13.195 -5.098 7.988 1.00 0.00 C ATOM 1138 C LEU A 75 13.947 -3.784 7.758 1.00 0.00 C ATOM 1139 O LEU A 75 15.088 -3.635 8.195 1.00 0.00 O ATOM 1140 CB LEU A 75 13.604 -6.185 6.965 1.00 0.00 C ATOM 1141 CG LEU A 75 13.215 -5.948 5.492 1.00 0.00 C ATOM 1142 CD1 LEU A 75 14.162 -4.965 4.803 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.169 -7.270 4.728 1.00 0.00 C ATOM 0 H LEU A 75 11.240 -5.393 7.276 1.00 0.00 H new ATOM 0 HA LEU A 75 13.480 -5.471 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.686 -6.305 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.164 -7.130 7.283 1.00 0.00 H new ATOM 0 HG LEU A 75 12.220 -5.503 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.852 -4.826 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.132 -4.007 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.178 -5.360 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.893 -7.081 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.150 -7.744 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.431 -7.929 5.186 1.00 0.00 H new ATOM 1155 N ILE A 76 13.309 -2.843 7.058 1.00 0.00 N ATOM 1156 CA ILE A 76 13.886 -1.511 6.851 1.00 0.00 C ATOM 1157 C ILE A 76 14.145 -0.838 8.198 1.00 0.00 C ATOM 1158 O ILE A 76 15.264 -0.413 8.495 1.00 0.00 O ATOM 1159 CB ILE A 76 12.951 -0.603 6.010 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.616 -1.268 4.666 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.588 0.772 5.791 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.629 -0.483 3.830 1.00 0.00 C ATOM 0 H ILE A 76 12.395 -2.977 6.626 1.00 0.00 H new ATOM 0 HA ILE A 76 14.821 -1.644 6.307 1.00 0.00 H new ATOM 0 HB ILE A 76 12.022 -0.464 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.536 -1.401 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.210 -2.262 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.917 1.394 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.767 1.248 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.534 0.655 5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.441 -1.013 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.694 -0.372 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.040 0.502 3.611 1.00 0.00 H new ATOM 1174 N LEU A 77 13.098 -0.769 9.018 1.00 0.00 N ATOM 1175 CA LEU A 77 13.188 -0.162 10.346 1.00 0.00 C ATOM 1176 C LEU A 77 14.172 -0.936 11.219 1.00 0.00 C ATOM 1177 O LEU A 77 14.820 -0.369 12.102 1.00 0.00 O ATOM 1178 CB LEU A 77 11.804 -0.125 11.012 1.00 0.00 C ATOM 1179 CG LEU A 77 10.738 0.695 10.265 1.00 0.00 C ATOM 1180 CD1 LEU A 77 9.401 0.642 11.000 1.00 0.00 C ATOM 1181 CD2 LEU A 77 11.200 2.139 10.085 1.00 0.00 C ATOM 0 H LEU A 77 12.172 -1.128 8.785 1.00 0.00 H new ATOM 0 HA LEU A 77 13.550 0.860 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.443 -1.148 11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.913 0.282 12.017 1.00 0.00 H new ATOM 0 HG LEU A 77 10.599 0.255 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.662 1.229 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.064 -0.392 11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.521 1.052 12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.433 2.703 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.372 2.590 11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.126 2.156 9.510 1.00 0.00 H new ATOM 1193 N ASP A 78 14.281 -2.235 10.956 1.00 0.00 N ATOM 1194 CA ASP A 78 15.210 -3.098 11.680 1.00 0.00 C ATOM 1195 C ASP A 78 16.652 -2.776 11.290 1.00 0.00 C ATOM 1196 O ASP A 78 17.542 -2.720 12.145 1.00 0.00 O ATOM 1197 CB ASP A 78 14.906 -4.574 11.386 1.00 0.00 C ATOM 1198 CG ASP A 78 15.788 -5.523 12.184 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.469 -5.787 13.363 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.801 -6.013 11.640 1.00 0.00 O ATOM 0 H ASP A 78 13.734 -2.716 10.242 1.00 0.00 H new ATOM 0 HA ASP A 78 15.086 -2.917 12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.860 -4.778 11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.043 -4.764 10.322 1.00 0.00 H new ATOM 1205 N GLY A 79 16.858 -2.539 9.997 1.00 0.00 N ATOM 1206 CA GLY A 79 18.186 -2.267 9.472 1.00 0.00 C ATOM 1207 C GLY A 79 18.737 -0.932 9.933 1.00 0.00 C ATOM 1208 O GLY A 79 19.951 -0.712 9.916 1.00 0.00 O ATOM 0 H GLY A 79 16.118 -2.531 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.864 -3.062 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.152 -2.284 8.383 1.00 0.00 H new ATOM 1212 N LYS A 80 17.845 -0.030 10.331 1.00 0.00 N ATOM 1213 CA LYS A 80 18.252 1.262 10.875 1.00 0.00 C ATOM 1214 C LYS A 80 19.079 1.065 12.140 1.00 0.00 C ATOM 1215 O LYS A 80 20.100 1.723 12.340 1.00 0.00 O ATOM 1216 CB LYS A 80 17.039 2.133 11.177 1.00 0.00 C ATOM 1217 CG LYS A 80 16.203 2.467 9.951 1.00 0.00 C ATOM 1218 CD LYS A 80 15.411 3.740 10.176 1.00 0.00 C ATOM 1219 CE LYS A 80 14.456 4.038 9.030 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.726 5.315 9.244 1.00 0.00 N ATOM 0 H LYS A 80 16.836 -0.170 10.287 1.00 0.00 H new ATOM 0 HA LYS A 80 18.861 1.768 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.410 1.623 11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.376 3.061 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.852 2.584 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.523 1.643 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.845 3.654 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.099 4.576 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.014 4.089 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.741 3.222 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.709 5.164 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.882 5.645 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.075 6.031 8.575 1.00 0.00 H new ATOM 1234 N GLU A 81 18.621 0.148 12.986 1.00 0.00 N ATOM 1235 CA GLU A 81 19.326 -0.193 14.217 1.00 0.00 C ATOM 1236 C GLU A 81 20.491 -1.129 13.911 1.00 0.00 C ATOM 1237 O GLU A 81 21.608 -0.931 14.392 1.00 0.00 O ATOM 1238 CB GLU A 81 18.361 -0.855 15.212 1.00 0.00 C ATOM 1239 CG GLU A 81 18.976 -1.172 16.573 1.00 0.00 C ATOM 1240 CD GLU A 81 19.401 0.076 17.333 1.00 0.00 C ATOM 1241 OE1 GLU A 81 18.518 0.777 17.875 1.00 0.00 O ATOM 1242 OE2 GLU A 81 20.612 0.371 17.388 1.00 0.00 O ATOM 0 H GLU A 81 17.758 -0.376 12.840 1.00 0.00 H new ATOM 0 HA GLU A 81 19.718 0.721 14.664 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.503 -0.199 15.359 1.00 0.00 H new ATOM 0 HB3 GLU A 81 17.984 -1.779 14.773 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.255 -1.729 17.172 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.842 -1.819 16.434 1.00 0.00 H new ATOM 1249 N ALA A 82 20.217 -2.140 13.090 1.00 0.00 N ATOM 1250 CA ALA A 82 21.221 -3.130 12.714 1.00 0.00 C ATOM 1251 C ALA A 82 22.194 -2.549 11.690 1.00 0.00 C ATOM 1252 O ALA A 82 22.091 -2.817 10.489 1.00 0.00 O ATOM 1253 CB ALA A 82 20.553 -4.392 12.176 1.00 0.00 C ATOM 0 H ALA A 82 19.300 -2.295 12.670 1.00 0.00 H new ATOM 0 HA ALA A 82 21.789 -3.400 13.604 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.317 -5.119 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 82 19.907 -4.818 12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 82 19.957 -4.142 11.298 1.00 0.00 H new ATOM 1259 N ALA A 83 23.116 -1.730 12.175 1.00 0.00 N ATOM 1260 CA ALA A 83 24.121 -1.094 11.335 1.00 0.00 C ATOM 1261 C ALA A 83 25.164 -0.404 12.213 1.00 0.00 C ATOM 1262 O ALA A 83 26.174 -1.051 12.557 1.00 0.00 O ATOM 1263 CB ALA A 83 23.475 -0.100 10.372 1.00 0.00 C ATOM 1264 OXT ALA A 83 24.957 0.773 12.578 1.00 0.00 O ATOM 0 H ALA A 83 23.189 -1.487 13.163 1.00 0.00 H new ATOM 0 HA ALA A 83 24.616 -1.859 10.736 1.00 0.00 H new ATOM 0 HB1 ALA A 83 24.246 0.362 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.764 -0.623 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.954 0.671 10.940 1.00 0.00 H new TER 1270 ALA A 83