USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -159:sc= 0 (180deg=-0.293) USER MOD Single : A 20 THR OG1 : rot -63:sc= 0.466 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 31:sc= 0.00136 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.522 27.856 9.029 1.00 0.00 N ATOM 2 CA MET A 1 -1.320 29.112 8.973 1.00 0.00 C ATOM 3 C MET A 1 -2.834 28.944 9.201 1.00 0.00 C ATOM 4 O MET A 1 -3.294 29.633 10.117 1.00 0.00 O ATOM 5 CB MET A 1 -0.955 29.969 7.746 1.00 0.00 C ATOM 6 CG MET A 1 0.320 30.806 7.676 1.00 0.00 C ATOM 7 SD MET A 1 1.599 30.388 6.465 1.00 0.00 S ATOM 8 CE MET A 1 1.100 30.774 4.784 1.00 0.00 C ATOM 0 H1 MET A 1 0.481 28.074 8.864 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.631 27.417 9.965 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.858 27.198 8.297 1.00 0.00 H new ATOM 0 HA MET A 1 -1.018 29.682 9.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.931 29.294 6.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.787 30.655 7.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.023 31.839 7.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.783 30.778 8.662 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.901 30.505 4.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.201 30.211 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.894 31.841 4.702 1.00 0.00 H new ATOM 18 N ILE A 2 -3.444 27.838 8.736 1.00 0.00 N ATOM 19 CA ILE A 2 -4.875 27.517 8.557 1.00 0.00 C ATOM 20 C ILE A 2 -5.281 26.235 9.314 1.00 0.00 C ATOM 21 O ILE A 2 -4.588 25.228 9.153 1.00 0.00 O ATOM 22 CB ILE A 2 -5.489 27.573 7.123 1.00 0.00 C ATOM 23 CG1 ILE A 2 -4.771 26.938 5.912 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.879 29.007 6.781 1.00 0.00 C ATOM 25 CD1 ILE A 2 -5.433 25.929 4.988 1.00 0.00 C ATOM 0 H ILE A 2 -2.873 27.047 8.439 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.344 28.386 9.019 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.327 26.887 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.441 27.764 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.874 26.457 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.307 29.039 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.615 29.366 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.995 29.643 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.728 25.629 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.735 25.053 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.311 26.380 4.525 1.00 0.00 H new ATOM 36 N SER A 3 -6.386 26.238 10.086 1.00 0.00 N ATOM 37 CA SER A 3 -6.858 25.137 10.943 1.00 0.00 C ATOM 38 C SER A 3 -7.826 24.150 10.265 1.00 0.00 C ATOM 39 O SER A 3 -9.035 24.365 10.116 1.00 0.00 O ATOM 40 CB SER A 3 -7.253 25.515 12.385 1.00 0.00 C ATOM 41 OG SER A 3 -6.406 26.450 13.040 1.00 0.00 O ATOM 0 H SER A 3 -7.003 27.049 10.129 1.00 0.00 H new ATOM 0 HA SER A 3 -5.941 24.565 11.085 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.264 25.921 12.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.285 24.604 12.982 1.00 0.00 H new ATOM 0 HG SER A 3 -6.745 26.621 13.943 1.00 0.00 H new ATOM 46 N ASP A 4 -7.071 23.296 9.560 1.00 0.00 N ATOM 47 CA ASP A 4 -7.289 22.270 8.526 1.00 0.00 C ATOM 48 C ASP A 4 -6.417 21.023 8.782 1.00 0.00 C ATOM 49 O ASP A 4 -5.435 21.136 9.522 1.00 0.00 O ATOM 50 CB ASP A 4 -7.037 23.006 7.191 1.00 0.00 C ATOM 51 CG ASP A 4 -6.880 22.359 5.821 1.00 0.00 C ATOM 52 OD1 ASP A 4 -5.725 22.041 5.464 1.00 0.00 O ATOM 53 OD2 ASP A 4 -7.739 22.622 4.949 1.00 0.00 O ATOM 0 H ASP A 4 -6.069 23.321 9.751 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.295 21.851 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.858 23.715 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.129 23.590 7.345 1.00 0.00 H new ATOM 57 N GLU A 5 -6.857 19.833 8.329 1.00 0.00 N ATOM 58 CA GLU A 5 -6.104 18.631 7.918 1.00 0.00 C ATOM 59 C GLU A 5 -5.500 18.747 6.506 1.00 0.00 C ATOM 60 O GLU A 5 -6.213 19.108 5.564 1.00 0.00 O ATOM 61 CB GLU A 5 -6.914 17.317 8.038 1.00 0.00 C ATOM 62 CG GLU A 5 -7.141 16.580 9.361 1.00 0.00 C ATOM 63 CD GLU A 5 -8.254 15.545 9.448 1.00 0.00 C ATOM 64 OE1 GLU A 5 -8.092 14.382 9.015 1.00 0.00 O ATOM 65 OE2 GLU A 5 -9.206 15.799 10.217 1.00 0.00 O ATOM 0 H GLU A 5 -7.860 19.673 8.231 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.285 18.579 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.903 17.528 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.439 16.602 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.208 16.082 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.330 17.331 10.128 1.00 0.00 H new ATOM 70 N GLN A 6 -4.160 18.836 6.502 1.00 0.00 N ATOM 71 CA GLN A 6 -3.163 18.793 5.412 1.00 0.00 C ATOM 72 C GLN A 6 -2.210 17.576 5.372 1.00 0.00 C ATOM 73 O GLN A 6 -1.443 17.504 4.409 1.00 0.00 O ATOM 74 CB GLN A 6 -2.579 20.220 5.387 1.00 0.00 C ATOM 75 CG GLN A 6 -2.646 21.118 4.149 1.00 0.00 C ATOM 76 CD GLN A 6 -2.055 20.776 2.788 1.00 0.00 C ATOM 77 OE1 GLN A 6 -0.940 21.163 2.433 1.00 0.00 O ATOM 78 NE2 GLN A 6 -2.806 20.036 1.981 1.00 0.00 N ATOM 0 H GLN A 6 -3.679 18.958 7.393 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.609 18.560 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.062 20.768 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.525 20.129 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.705 21.310 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.194 22.066 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.727 19.722 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.462 19.781 1.055 1.00 0.00 H new ATOM 85 N LEU A 7 -2.583 16.451 6.005 1.00 0.00 N ATOM 86 CA LEU A 7 -2.081 15.063 5.945 1.00 0.00 C ATOM 87 C LEU A 7 -2.403 14.245 4.665 1.00 0.00 C ATOM 88 O LEU A 7 -2.225 13.023 4.601 1.00 0.00 O ATOM 89 CB LEU A 7 -2.463 14.408 7.286 1.00 0.00 C ATOM 90 CG LEU A 7 -1.849 14.628 8.688 1.00 0.00 C ATOM 91 CD1 LEU A 7 -0.505 13.959 8.941 1.00 0.00 C ATOM 92 CD2 LEU A 7 -1.773 16.000 9.347 1.00 0.00 C ATOM 0 H LEU A 7 -3.357 16.501 6.668 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.998 15.080 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.524 14.624 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.374 13.336 7.108 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.689 14.128 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.173 14.182 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.607 12.880 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.229 14.335 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.303 15.908 10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.183 16.671 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.779 16.404 9.464 1.00 0.00 H new ATOM 103 N ASN A 8 -2.901 14.928 3.623 1.00 0.00 N ATOM 104 CA ASN A 8 -2.848 14.721 2.160 1.00 0.00 C ATOM 105 C ASN A 8 -1.459 14.742 1.483 1.00 0.00 C ATOM 106 O ASN A 8 -1.263 13.945 0.561 1.00 0.00 O ATOM 107 CB ASN A 8 -3.903 15.630 1.489 1.00 0.00 C ATOM 108 CG ASN A 8 -4.778 15.035 0.377 1.00 0.00 C ATOM 109 OD1 ASN A 8 -4.363 14.844 -0.769 1.00 0.00 O ATOM 110 ND2 ASN A 8 -6.099 15.175 0.492 1.00 0.00 N ATOM 0 H ASN A 8 -3.436 15.774 3.818 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.103 13.674 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.566 16.002 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.382 16.494 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.692 15.121 -0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.517 15.336 1.408 1.00 0.00 H new ATOM 116 N SER A 9 -0.478 15.517 1.974 1.00 0.00 N ATOM 117 CA SER A 9 0.979 15.412 1.784 1.00 0.00 C ATOM 118 C SER A 9 1.738 14.173 2.270 1.00 0.00 C ATOM 119 O SER A 9 2.716 13.858 1.584 1.00 0.00 O ATOM 120 CB SER A 9 1.749 16.643 2.269 1.00 0.00 C ATOM 121 OG SER A 9 1.751 17.729 1.360 1.00 0.00 O ATOM 0 H SER A 9 -0.707 16.310 2.573 1.00 0.00 H new ATOM 0 HA SER A 9 0.966 15.317 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.319 16.977 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.780 16.354 2.473 1.00 0.00 H new ATOM 0 HG SER A 9 2.260 18.474 1.742 1.00 0.00 H new ATOM 126 N LEU A 10 1.134 13.390 3.177 1.00 0.00 N ATOM 127 CA LEU A 10 1.289 11.957 3.424 1.00 0.00 C ATOM 128 C LEU A 10 0.538 11.048 2.443 1.00 0.00 C ATOM 129 O LEU A 10 1.306 10.314 1.826 1.00 0.00 O ATOM 130 CB LEU A 10 1.108 11.747 4.933 1.00 0.00 C ATOM 131 CG LEU A 10 0.868 10.426 5.686 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.755 10.227 6.911 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.592 10.337 6.098 1.00 0.00 C ATOM 0 H LEU A 10 0.454 13.793 3.821 1.00 0.00 H new ATOM 0 HA LEU A 10 2.291 11.605 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.001 12.175 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.271 12.388 5.210 1.00 0.00 H new ATOM 0 HG LEU A 10 1.134 9.630 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.519 9.272 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.802 10.233 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.579 11.034 7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.763 9.402 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.838 11.176 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.223 10.369 5.210 1.00 0.00 H new ATOM 144 N ALA A 11 -0.711 11.280 2.014 1.00 0.00 N ATOM 145 CA ALA A 11 -1.517 10.433 1.125 1.00 0.00 C ATOM 146 C ALA A 11 -1.163 10.322 -0.369 1.00 0.00 C ATOM 147 O ALA A 11 -1.514 9.318 -0.998 1.00 0.00 O ATOM 148 CB ALA A 11 -2.952 10.895 1.276 1.00 0.00 C ATOM 0 H ALA A 11 -1.217 12.119 2.298 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.306 9.417 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.597 10.295 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.264 10.779 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.029 11.944 0.990 1.00 0.00 H new ATOM 154 N ILE A 12 -0.158 11.132 -0.716 1.00 0.00 N ATOM 155 CA ILE A 12 0.797 11.084 -1.833 1.00 0.00 C ATOM 156 C ILE A 12 2.143 10.433 -1.461 1.00 0.00 C ATOM 157 O ILE A 12 2.176 9.272 -1.865 1.00 0.00 O ATOM 158 CB ILE A 12 0.698 12.432 -2.614 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.018 12.486 -4.003 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.889 13.381 -2.718 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.483 12.620 -4.143 1.00 0.00 C ATOM 0 H ILE A 12 0.032 11.952 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 12 0.550 10.355 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 12 0.020 12.779 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.463 13.323 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.306 11.578 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.607 14.257 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.193 13.694 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.719 12.871 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.750 12.639 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.970 11.773 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.811 13.545 -3.670 1.00 0.00 H new ATOM 172 N THR A 13 2.904 10.839 -0.430 1.00 0.00 N ATOM 173 CA THR A 13 4.206 10.331 0.065 1.00 0.00 C ATOM 174 C THR A 13 4.386 8.825 0.350 1.00 0.00 C ATOM 175 O THR A 13 5.006 8.140 -0.466 1.00 0.00 O ATOM 176 CB THR A 13 4.852 11.399 0.998 1.00 0.00 C ATOM 177 OG1 THR A 13 6.171 11.714 0.529 1.00 0.00 O ATOM 178 CG2 THR A 13 4.858 11.620 2.517 1.00 0.00 C ATOM 0 H THR A 13 2.590 11.620 0.146 1.00 0.00 H new ATOM 0 HA THR A 13 4.869 10.231 -0.794 1.00 0.00 H new ATOM 0 HB THR A 13 3.936 11.979 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.387 12.642 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.446 12.507 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.836 11.758 2.869 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.296 10.752 3.009 1.00 0.00 H new ATOM 186 N PHE A 14 3.552 8.366 1.284 1.00 0.00 N ATOM 187 CA PHE A 14 2.916 7.115 1.728 1.00 0.00 C ATOM 188 C PHE A 14 2.119 6.233 0.767 1.00 0.00 C ATOM 189 O PHE A 14 2.297 5.013 0.864 1.00 0.00 O ATOM 190 CB PHE A 14 2.329 7.466 3.111 1.00 0.00 C ATOM 191 CG PHE A 14 1.009 6.979 3.663 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.148 7.489 3.096 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.889 5.900 4.534 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.365 6.855 3.283 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.328 5.265 4.733 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.461 5.728 4.084 1.00 0.00 C ATOM 0 H PHE A 14 3.216 9.081 1.929 1.00 0.00 H new ATOM 0 HA PHE A 14 3.661 6.321 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.083 7.161 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.278 8.554 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.100 8.390 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.761 5.550 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.249 7.243 2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.392 4.412 5.392 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.406 5.218 4.201 1.00 0.00 H new ATOM 205 N GLY A 15 1.565 6.880 -0.260 1.00 0.00 N ATOM 206 CA GLY A 15 0.541 6.429 -1.192 1.00 0.00 C ATOM 207 C GLY A 15 0.996 5.854 -2.525 1.00 0.00 C ATOM 208 O GLY A 15 0.288 4.921 -2.912 1.00 0.00 O ATOM 0 H GLY A 15 1.857 7.833 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.059 5.671 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.118 7.272 -1.399 1.00 0.00 H new ATOM 212 N ILE A 16 2.122 6.315 -3.101 1.00 0.00 N ATOM 213 CA ILE A 16 3.045 5.565 -3.933 1.00 0.00 C ATOM 214 C ILE A 16 3.740 4.329 -3.317 1.00 0.00 C ATOM 215 O ILE A 16 3.816 3.341 -4.062 1.00 0.00 O ATOM 216 CB ILE A 16 3.902 6.399 -4.921 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.768 7.638 -4.633 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.465 6.338 -6.382 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.111 8.924 -4.231 1.00 0.00 C ATOM 0 H ILE A 16 2.418 7.284 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 16 2.330 5.067 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 16 4.690 5.749 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.469 7.369 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.358 7.839 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.130 6.955 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.509 5.307 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.444 6.709 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.873 9.687 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.434 9.249 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.548 8.772 -3.310 1.00 0.00 H new ATOM 230 N VAL A 17 3.980 4.292 -1.982 1.00 0.00 N ATOM 231 CA VAL A 17 4.393 3.195 -1.095 1.00 0.00 C ATOM 232 C VAL A 17 3.282 2.195 -0.707 1.00 0.00 C ATOM 233 O VAL A 17 3.627 1.009 -0.764 1.00 0.00 O ATOM 234 CB VAL A 17 5.273 3.594 0.128 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.648 2.945 0.145 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.817 5.009 0.161 1.00 0.00 C ATOM 0 H VAL A 17 3.871 5.149 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 17 5.063 2.650 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 17 4.552 3.336 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.195 3.275 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.538 1.861 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.197 3.233 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.410 5.150 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.444 5.178 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.989 5.717 0.157 1.00 0.00 H new ATOM 246 N MET A 18 2.010 2.602 -0.465 1.00 0.00 N ATOM 247 CA MET A 18 0.763 1.820 -0.437 1.00 0.00 C ATOM 248 C MET A 18 0.289 1.228 -1.774 1.00 0.00 C ATOM 249 O MET A 18 0.150 0.004 -1.724 1.00 0.00 O ATOM 250 CB MET A 18 -0.325 2.564 0.352 1.00 0.00 C ATOM 251 CG MET A 18 -1.032 1.850 1.509 1.00 0.00 C ATOM 252 SD MET A 18 -2.367 2.585 2.486 1.00 0.00 S ATOM 253 CE MET A 18 -3.904 2.640 1.562 1.00 0.00 C ATOM 0 H MET A 18 1.822 3.584 -0.266 1.00 0.00 H new ATOM 0 HA MET A 18 1.009 0.907 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.124 3.472 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.091 2.874 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.431 0.923 1.097 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.252 1.573 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.684 3.087 2.179 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.766 3.238 0.661 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.198 1.628 1.284 1.00 0.00 H new ATOM 261 N MET A 19 0.448 1.897 -2.932 1.00 0.00 N ATOM 262 CA MET A 19 0.255 1.424 -4.303 1.00 0.00 C ATOM 263 C MET A 19 1.210 0.335 -4.809 1.00 0.00 C ATOM 264 O MET A 19 0.638 -0.626 -5.328 1.00 0.00 O ATOM 265 CB MET A 19 0.169 2.603 -5.310 1.00 0.00 C ATOM 266 CG MET A 19 -1.059 3.478 -5.567 1.00 0.00 C ATOM 267 SD MET A 19 -1.262 4.299 -7.171 1.00 0.00 S ATOM 268 CE MET A 19 -0.315 5.817 -7.313 1.00 0.00 C ATOM 0 H MET A 19 0.743 2.873 -2.923 1.00 0.00 H new ATOM 0 HA MET A 19 -0.705 0.912 -4.246 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.966 3.290 -5.027 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.439 2.183 -6.279 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.940 2.857 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.072 4.253 -4.801 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.742 6.440 -8.099 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.346 6.355 -6.366 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.719 5.579 -7.561 1.00 0.00 H new ATOM 276 N THR A 20 2.410 0.243 -4.217 1.00 0.00 N ATOM 277 CA THR A 20 3.389 -0.841 -4.300 1.00 0.00 C ATOM 278 C THR A 20 3.239 -2.025 -3.328 1.00 0.00 C ATOM 279 O THR A 20 3.441 -3.120 -3.850 1.00 0.00 O ATOM 280 CB THR A 20 4.861 -0.365 -4.294 1.00 0.00 C ATOM 281 OG1 THR A 20 5.169 0.745 -3.433 1.00 0.00 O ATOM 282 CG2 THR A 20 5.476 -0.074 -5.664 1.00 0.00 C ATOM 0 H THR A 20 2.746 0.995 -3.615 1.00 0.00 H new ATOM 0 HA THR A 20 3.127 -1.237 -5.281 1.00 0.00 H new ATOM 0 HB THR A 20 5.321 -1.263 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.675 1.537 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.508 0.252 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.453 -0.978 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.906 0.712 -6.159 1.00 0.00 H new ATOM 290 N LEU A 21 2.702 -1.894 -2.105 1.00 0.00 N ATOM 291 CA LEU A 21 2.166 -2.897 -1.162 1.00 0.00 C ATOM 292 C LEU A 21 0.773 -3.480 -1.481 1.00 0.00 C ATOM 293 O LEU A 21 0.754 -4.705 -1.363 1.00 0.00 O ATOM 294 CB LEU A 21 2.295 -2.526 0.329 1.00 0.00 C ATOM 295 CG LEU A 21 3.353 -3.082 1.294 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.237 -2.367 2.631 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.320 -4.556 1.656 1.00 0.00 C ATOM 0 H LEU A 21 2.622 -0.962 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 21 2.858 -3.719 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.406 -1.442 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.330 -2.759 0.779 1.00 0.00 H new ATOM 0 HG LEU A 21 4.268 -2.921 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.986 -2.759 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.399 -1.299 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.242 -2.531 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.134 -4.780 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.368 -4.793 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.434 -5.155 0.753 1.00 0.00 H new ATOM 308 N ILE A 22 -0.184 -2.798 -2.145 1.00 0.00 N ATOM 309 CA ILE A 22 -1.500 -3.227 -2.665 1.00 0.00 C ATOM 310 C ILE A 22 -1.533 -4.184 -3.865 1.00 0.00 C ATOM 311 O ILE A 22 -2.308 -5.146 -3.853 1.00 0.00 O ATOM 312 CB ILE A 22 -2.616 -2.164 -2.646 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.063 -2.593 -2.856 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.451 -0.845 -3.343 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.942 -2.937 -1.680 1.00 0.00 C ATOM 0 H ILE A 22 -0.033 -1.811 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.777 -3.911 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.417 -2.005 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.559 -1.792 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.048 -3.464 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.351 -0.246 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.596 -0.316 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.286 -1.014 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.933 -3.217 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.505 -3.771 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.024 -2.072 -1.022 1.00 0.00 H new ATOM 326 N VAL A 23 -0.690 -3.863 -4.856 1.00 0.00 N ATOM 327 CA VAL A 23 -0.269 -4.522 -6.086 1.00 0.00 C ATOM 328 C VAL A 23 0.744 -5.643 -5.781 1.00 0.00 C ATOM 329 O VAL A 23 0.789 -6.599 -6.563 1.00 0.00 O ATOM 330 CB VAL A 23 0.182 -3.356 -6.996 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.670 -3.874 -8.340 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.906 -2.468 -7.593 1.00 0.00 C ATOM 0 H VAL A 23 -0.205 -2.968 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.040 -5.082 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 23 0.862 -2.846 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.982 -3.035 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.515 -4.545 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.136 -4.414 -8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.447 -1.694 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.572 -3.073 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.477 -2.002 -6.790 1.00 0.00 H new ATOM 342 N ILE A 24 1.334 -5.614 -4.570 1.00 0.00 N ATOM 343 CA ILE A 24 2.056 -6.694 -3.894 1.00 0.00 C ATOM 344 C ILE A 24 1.320 -7.747 -3.038 1.00 0.00 C ATOM 345 O ILE A 24 1.578 -8.941 -3.215 1.00 0.00 O ATOM 346 CB ILE A 24 3.510 -6.212 -3.625 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.728 -6.587 -4.479 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.028 -6.356 -2.211 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.877 -5.904 -5.810 1.00 0.00 C ATOM 0 H ILE A 24 1.313 -4.768 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 24 2.140 -7.573 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 24 3.201 -5.215 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.625 -6.384 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.698 -7.662 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.051 -5.984 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.398 -5.781 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.009 -7.407 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.779 -6.264 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.010 -6.125 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.950 -4.827 -5.660 1.00 0.00 H new ATOM 360 N TYR A 25 0.279 -7.285 -2.332 1.00 0.00 N ATOM 361 CA TYR A 25 -0.884 -7.914 -1.674 1.00 0.00 C ATOM 362 C TYR A 25 -1.888 -8.638 -2.597 1.00 0.00 C ATOM 363 O TYR A 25 -2.053 -9.833 -2.336 1.00 0.00 O ATOM 364 CB TYR A 25 -1.350 -6.979 -0.532 1.00 0.00 C ATOM 365 CG TYR A 25 -0.866 -7.072 0.921 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.439 -7.321 1.356 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.741 -6.683 1.938 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.804 -7.223 2.701 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.395 -6.576 3.279 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.104 -6.853 3.684 1.00 0.00 C ATOM 371 OH TYR A 25 0.292 -6.569 4.978 1.00 0.00 O ATOM 0 H TYR A 25 0.225 -6.277 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.613 -8.841 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.123 -5.965 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.436 -7.067 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.189 -7.598 0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.759 -6.449 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.823 -7.442 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.136 -6.276 4.005 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.492 -6.329 5.515 1.00 0.00 H new ATOM 380 N HIS A 26 -2.052 -8.181 -3.848 1.00 0.00 N ATOM 381 CA HIS A 26 -2.579 -8.878 -5.030 1.00 0.00 C ATOM 382 C HIS A 26 -1.725 -9.910 -5.777 1.00 0.00 C ATOM 383 O HIS A 26 -2.256 -10.695 -6.573 1.00 0.00 O ATOM 384 CB HIS A 26 -3.168 -7.771 -5.931 1.00 0.00 C ATOM 385 CG HIS A 26 -3.977 -7.849 -7.198 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.281 -8.262 -7.358 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.366 -8.075 -8.370 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.435 -8.779 -8.565 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.278 -8.698 -9.199 1.00 0.00 N ATOM 0 H HIS A 26 -1.794 -7.222 -4.079 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.315 -9.593 -4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.784 -7.176 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.307 -7.159 -6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.347 -7.817 -8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.348 -9.195 -8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.090 -9.038 -10.142 1.00 0.00 H new ATOM 397 N ALA A 27 -0.463 -9.978 -5.340 1.00 0.00 N ATOM 398 CA ALA A 27 0.457 -11.105 -5.495 1.00 0.00 C ATOM 399 C ALA A 27 0.488 -12.104 -4.328 1.00 0.00 C ATOM 400 O ALA A 27 -0.059 -13.148 -4.674 1.00 0.00 O ATOM 401 CB ALA A 27 1.764 -10.550 -6.046 1.00 0.00 C ATOM 0 H ALA A 27 -0.033 -9.200 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 27 0.091 -11.817 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.478 -11.363 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.579 -10.072 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.171 -9.817 -5.349 1.00 0.00 H new ATOM 407 N VAL A 28 0.401 -11.699 -3.050 1.00 0.00 N ATOM 408 CA VAL A 28 0.523 -12.513 -1.834 1.00 0.00 C ATOM 409 C VAL A 28 -0.744 -13.195 -1.286 1.00 0.00 C ATOM 410 O VAL A 28 -0.738 -14.427 -1.354 1.00 0.00 O ATOM 411 CB VAL A 28 1.539 -11.957 -0.796 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.714 -11.172 -1.343 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.263 -11.349 0.574 1.00 0.00 C ATOM 0 H VAL A 28 0.230 -10.719 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 28 1.009 -13.414 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 28 1.650 -13.013 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.346 -10.841 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.295 -11.806 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.348 -10.304 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.205 -11.061 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.630 -10.469 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.756 -12.082 1.202 1.00 0.00 H new ATOM 423 N ASP A 29 -1.832 -12.442 -1.058 1.00 0.00 N ATOM 424 CA ASP A 29 -3.202 -12.721 -0.594 1.00 0.00 C ATOM 425 C ASP A 29 -4.104 -13.504 -1.570 1.00 0.00 C ATOM 426 O ASP A 29 -4.752 -14.448 -1.112 1.00 0.00 O ATOM 427 CB ASP A 29 -3.729 -11.317 -0.229 1.00 0.00 C ATOM 428 CG ASP A 29 -4.678 -11.109 0.956 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.886 -11.413 0.836 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.377 -10.222 1.789 1.00 0.00 O ATOM 0 H ASP A 29 -1.750 -11.440 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.206 -13.418 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.858 -10.686 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.233 -10.926 -1.113 1.00 0.00 H new ATOM 434 N SER A 30 -4.134 -13.112 -2.855 1.00 0.00 N ATOM 435 CA SER A 30 -4.570 -13.736 -4.120 1.00 0.00 C ATOM 436 C SER A 30 -3.709 -14.866 -4.725 1.00 0.00 C ATOM 437 O SER A 30 -2.497 -14.846 -4.495 1.00 0.00 O ATOM 438 CB SER A 30 -4.813 -12.507 -5.008 1.00 0.00 C ATOM 439 OG SER A 30 -5.237 -12.660 -6.353 1.00 0.00 O ATOM 0 H SER A 30 -3.788 -12.176 -3.065 1.00 0.00 H new ATOM 0 HA SER A 30 -5.452 -14.360 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.557 -11.889 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.885 -11.936 -5.027 1.00 0.00 H new ATOM 0 HG SER A 30 -5.343 -11.777 -6.765 1.00 0.00 H new ATOM 444 N THR A 31 -4.284 -15.712 -5.606 1.00 0.00 N ATOM 445 CA THR A 31 -3.936 -17.082 -6.028 1.00 0.00 C ATOM 446 C THR A 31 -2.704 -17.226 -6.942 1.00 0.00 C ATOM 447 O THR A 31 -2.739 -16.914 -8.136 1.00 0.00 O ATOM 448 CB THR A 31 -5.176 -17.892 -6.514 1.00 0.00 C ATOM 449 OG1 THR A 31 -5.988 -17.225 -7.490 1.00 0.00 O ATOM 450 CG2 THR A 31 -6.156 -18.377 -5.448 1.00 0.00 C ATOM 0 H THR A 31 -5.119 -15.404 -6.105 1.00 0.00 H new ATOM 0 HA THR A 31 -3.591 -17.552 -5.107 1.00 0.00 H new ATOM 0 HB THR A 31 -4.647 -18.747 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.740 -17.802 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.969 -18.925 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.637 -19.032 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.562 -17.520 -4.910 1.00 0.00 H new ATOM 458 N MET A 32 -1.588 -17.276 -6.196 1.00 0.00 N ATOM 459 CA MET A 32 -0.150 -17.328 -6.509 1.00 0.00 C ATOM 460 C MET A 32 0.682 -18.355 -5.717 1.00 0.00 C ATOM 461 O MET A 32 0.179 -18.972 -4.772 1.00 0.00 O ATOM 462 CB MET A 32 0.498 -15.967 -6.205 1.00 0.00 C ATOM 463 CG MET A 32 0.961 -15.085 -7.357 1.00 0.00 C ATOM 464 SD MET A 32 2.695 -14.628 -7.134 1.00 0.00 S ATOM 465 CE MET A 32 3.136 -13.570 -8.512 1.00 0.00 C ATOM 0 H MET A 32 -1.699 -17.282 -5.182 1.00 0.00 H new ATOM 0 HA MET A 32 -0.133 -17.617 -7.560 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.215 -15.389 -5.617 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.362 -16.151 -5.567 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.835 -15.613 -8.302 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.344 -14.188 -7.408 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.179 -13.268 -8.419 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.997 -14.113 -9.447 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.500 -12.685 -8.509 1.00 0.00 H new ATOM 473 N SER A 33 1.891 -18.648 -6.218 1.00 0.00 N ATOM 474 CA SER A 33 3.174 -18.840 -5.518 1.00 0.00 C ATOM 475 C SER A 33 3.989 -17.637 -4.985 1.00 0.00 C ATOM 476 O SER A 33 4.481 -16.888 -5.830 1.00 0.00 O ATOM 477 CB SER A 33 3.937 -19.834 -6.428 1.00 0.00 C ATOM 478 OG SER A 33 4.333 -19.365 -7.712 1.00 0.00 O ATOM 0 H SER A 33 2.008 -18.769 -7.224 1.00 0.00 H new ATOM 0 HA SER A 33 2.966 -19.211 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.831 -20.161 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.310 -20.714 -6.568 1.00 0.00 H new ATOM 0 HG SER A 33 4.509 -18.402 -7.668 1.00 0.00 H new ATOM 483 N PRO A 34 3.959 -17.233 -3.677 1.00 0.00 N ATOM 484 CA PRO A 34 5.017 -16.514 -2.911 1.00 0.00 C ATOM 485 C PRO A 34 6.177 -17.244 -2.188 1.00 0.00 C ATOM 486 O PRO A 34 6.206 -18.473 -2.280 1.00 0.00 O ATOM 487 CB PRO A 34 4.234 -15.495 -2.057 1.00 0.00 C ATOM 488 CG PRO A 34 2.787 -15.835 -2.036 1.00 0.00 C ATOM 489 CD PRO A 34 2.647 -16.932 -3.062 1.00 0.00 C ATOM 0 HA PRO A 34 5.698 -16.088 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.626 -15.487 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.372 -14.492 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.472 -16.171 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.172 -14.972 -2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.244 -17.829 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.938 -16.630 -3.832 1.00 0.00 H new ATOM 494 N LYS A 35 7.238 -16.530 -1.743 1.00 0.00 N ATOM 495 CA LYS A 35 8.462 -16.877 -0.985 1.00 0.00 C ATOM 496 C LYS A 35 8.362 -17.613 0.366 1.00 0.00 C ATOM 497 O LYS A 35 8.813 -18.763 0.345 1.00 0.00 O ATOM 498 CB LYS A 35 9.506 -15.733 -1.035 1.00 0.00 C ATOM 499 CG LYS A 35 9.499 -14.375 -0.329 1.00 0.00 C ATOM 500 CD LYS A 35 10.208 -14.218 1.015 1.00 0.00 C ATOM 501 CE LYS A 35 9.467 -13.412 2.071 1.00 0.00 C ATOM 502 NZ LYS A 35 10.141 -13.444 3.399 1.00 0.00 N ATOM 0 H LYS A 35 7.253 -15.530 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 35 8.836 -17.727 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.442 -16.199 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.603 -15.493 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.936 -13.649 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.457 -14.089 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.405 -15.212 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.175 -13.747 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.380 -12.378 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.454 -13.800 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.594 -12.879 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.202 -14.427 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.099 -13.048 3.312 1.00 0.00 H new ATOM 512 N ASN A 36 7.324 -17.294 1.155 1.00 0.00 N ATOM 513 CA ASN A 36 7.057 -17.411 2.601 1.00 0.00 C ATOM 514 C ASN A 36 8.060 -17.281 3.751 1.00 0.00 C ATOM 515 O ASN A 36 8.003 -16.220 4.413 1.00 0.00 O ATOM 516 CB ASN A 36 5.854 -18.297 3.021 1.00 0.00 C ATOM 517 CG ASN A 36 4.462 -17.674 3.061 1.00 0.00 C ATOM 518 OD1 ASN A 36 4.030 -17.283 4.146 1.00 0.00 O ATOM 519 ND2 ASN A 36 3.741 -17.441 1.966 1.00 0.00 N ATOM 520 OXT ASN A 36 8.994 -18.095 3.887 1.00 0.00 O ATOM 0 H ASN A 36 6.508 -16.873 0.710 1.00 0.00 H new ATOM 0 HA ASN A 36 6.897 -16.338 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.816 -19.147 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.067 -18.694 4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.851 -16.948 2.037 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.079 -17.756 1.056 1.00 0.00 H new TER 526 ASN A 36