USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 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 -170:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -65:sc= 0.411 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-1.01e-05 X(o=-1e-05,f=-1e-05) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00259 X(o=-0.0026,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.055 16.423 19.520 1.00 0.00 N ATOM 2 CA MET A 1 1.473 17.001 18.272 1.00 0.00 C ATOM 3 C MET A 1 0.582 18.241 18.473 1.00 0.00 C ATOM 4 O MET A 1 -0.144 18.307 19.470 1.00 0.00 O ATOM 5 CB MET A 1 0.798 15.953 17.372 1.00 0.00 C ATOM 6 CG MET A 1 1.631 14.937 16.594 1.00 0.00 C ATOM 7 SD MET A 1 0.844 14.372 15.071 1.00 0.00 S ATOM 8 CE MET A 1 2.156 13.403 14.333 1.00 0.00 C ATOM 0 H1 MET A 1 2.637 15.595 19.281 1.00 0.00 H new ATOM 0 H2 MET A 1 2.646 17.137 19.990 1.00 0.00 H new ATOM 0 H3 MET A 1 1.287 16.134 20.159 1.00 0.00 H new ATOM 0 HA MET A 1 2.350 17.369 17.740 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.109 15.388 18.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.195 16.496 16.645 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.596 15.381 16.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.828 14.076 17.233 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.814 12.990 13.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.025 14.038 14.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.430 12.590 15.005 1.00 0.00 H new ATOM 18 N ILE A 2 0.811 19.252 17.613 1.00 0.00 N ATOM 19 CA ILE A 2 0.068 20.487 17.283 1.00 0.00 C ATOM 20 C ILE A 2 -0.999 20.364 16.175 1.00 0.00 C ATOM 21 O ILE A 2 -0.933 19.456 15.339 1.00 0.00 O ATOM 22 CB ILE A 2 1.062 21.679 17.113 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.727 23.141 17.476 1.00 0.00 C ATOM 24 CG2 ILE A 2 2.098 21.700 15.991 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.460 23.976 17.029 1.00 0.00 C ATOM 0 H ILE A 2 1.657 19.213 17.044 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.568 20.702 18.141 1.00 0.00 H new ATOM 0 HB ILE A 2 1.467 21.222 18.016 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.691 23.160 18.565 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.604 23.714 17.176 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.685 22.616 16.055 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.758 20.838 16.089 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.591 21.660 15.027 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.392 24.970 17.470 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.457 24.060 15.942 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.384 23.498 17.353 1.00 0.00 H new ATOM 36 N SER A 3 -2.072 21.152 16.339 1.00 0.00 N ATOM 37 CA SER A 3 -3.076 21.702 15.414 1.00 0.00 C ATOM 38 C SER A 3 -2.605 22.234 14.050 1.00 0.00 C ATOM 39 O SER A 3 -1.975 23.291 13.940 1.00 0.00 O ATOM 40 CB SER A 3 -3.962 22.559 16.339 1.00 0.00 C ATOM 41 OG SER A 3 -4.525 23.793 15.919 1.00 0.00 O ATOM 0 H SER A 3 -2.289 21.470 17.284 1.00 0.00 H new ATOM 0 HA SER A 3 -3.675 20.937 14.919 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.793 21.926 16.651 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.371 22.772 17.230 1.00 0.00 H new ATOM 0 HG SER A 3 -5.053 24.177 16.650 1.00 0.00 H new ATOM 46 N ASP A 4 -2.623 21.234 13.155 1.00 0.00 N ATOM 47 CA ASP A 4 -2.103 21.119 11.783 1.00 0.00 C ATOM 48 C ASP A 4 -3.085 20.443 10.803 1.00 0.00 C ATOM 49 O ASP A 4 -3.718 19.444 11.162 1.00 0.00 O ATOM 50 CB ASP A 4 -0.734 20.416 11.656 1.00 0.00 C ATOM 51 CG ASP A 4 0.548 20.990 12.245 1.00 0.00 C ATOM 52 OD1 ASP A 4 1.259 21.705 11.506 1.00 0.00 O ATOM 53 OD2 ASP A 4 1.094 20.313 13.144 1.00 0.00 O ATOM 0 H ASP A 4 -3.071 20.356 13.419 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.971 22.165 11.507 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.855 19.422 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.552 20.282 10.590 1.00 0.00 H new ATOM 57 N GLU A 5 -3.416 21.170 9.718 1.00 0.00 N ATOM 58 CA GLU A 5 -4.014 20.787 8.419 1.00 0.00 C ATOM 59 C GLU A 5 -3.107 20.849 7.161 1.00 0.00 C ATOM 60 O GLU A 5 -2.202 21.691 7.177 1.00 0.00 O ATOM 61 CB GLU A 5 -5.354 21.529 8.226 1.00 0.00 C ATOM 62 CG GLU A 5 -6.717 20.918 8.559 1.00 0.00 C ATOM 63 CD GLU A 5 -7.246 19.672 7.865 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.622 19.724 6.674 1.00 0.00 O ATOM 65 OE2 GLU A 5 -7.275 18.610 8.523 1.00 0.00 O ATOM 0 H GLU A 5 -3.248 22.176 9.733 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.180 19.713 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.281 22.449 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.396 21.817 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.708 20.700 9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.457 21.702 8.399 1.00 0.00 H new ATOM 70 N GLN A 6 -3.470 20.168 6.043 1.00 0.00 N ATOM 71 CA GLN A 6 -2.824 19.719 4.777 1.00 0.00 C ATOM 72 C GLN A 6 -1.977 18.428 4.773 1.00 0.00 C ATOM 73 O GLN A 6 -1.615 17.985 3.679 1.00 0.00 O ATOM 74 CB GLN A 6 -2.309 20.905 3.933 1.00 0.00 C ATOM 75 CG GLN A 6 -3.044 21.631 2.806 1.00 0.00 C ATOM 76 CD GLN A 6 -2.208 22.042 1.594 1.00 0.00 C ATOM 77 OE1 GLN A 6 -1.609 23.120 1.549 1.00 0.00 O ATOM 78 NE2 GLN A 6 -2.447 21.408 0.450 1.00 0.00 N ATOM 0 H GLN A 6 -4.440 19.855 6.009 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.656 19.287 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.052 21.681 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.375 20.559 3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.854 20.989 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.504 22.527 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.940 20.515 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.137 21.815 -0.433 1.00 0.00 H new ATOM 85 N LEU A 7 -2.224 17.525 5.734 1.00 0.00 N ATOM 86 CA LEU A 7 -1.547 16.250 6.023 1.00 0.00 C ATOM 87 C LEU A 7 -1.823 15.047 5.091 1.00 0.00 C ATOM 88 O LEU A 7 -0.979 14.151 5.047 1.00 0.00 O ATOM 89 CB LEU A 7 -1.614 16.000 7.542 1.00 0.00 C ATOM 90 CG LEU A 7 -0.713 16.682 8.593 1.00 0.00 C ATOM 91 CD1 LEU A 7 0.655 16.042 8.777 1.00 0.00 C ATOM 92 CD2 LEU A 7 -0.429 18.178 8.517 1.00 0.00 C ATOM 0 H LEU A 7 -2.982 17.686 6.397 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.501 16.364 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.639 16.223 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.470 14.928 7.675 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.398 16.520 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.214 16.591 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.533 15.007 9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.200 16.070 7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.222 18.467 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.060 18.408 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.366 18.730 8.584 1.00 0.00 H new ATOM 103 N ASN A 8 -2.709 15.236 4.104 1.00 0.00 N ATOM 104 CA ASN A 8 -2.864 14.707 2.735 1.00 0.00 C ATOM 105 C ASN A 8 -1.677 14.751 1.747 1.00 0.00 C ATOM 106 O ASN A 8 -1.653 13.954 0.803 1.00 0.00 O ATOM 107 CB ASN A 8 -4.152 15.422 2.280 1.00 0.00 C ATOM 108 CG ASN A 8 -5.133 14.597 1.442 1.00 0.00 C ATOM 109 OD1 ASN A 8 -5.819 13.675 1.895 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.298 14.969 0.177 1.00 0.00 N ATOM 0 H ASN A 8 -3.475 15.885 4.283 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.913 13.618 2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.676 15.777 3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.868 16.302 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.985 14.495 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.737 15.729 -0.208 1.00 0.00 H new ATOM 116 N SER A 9 -0.620 15.516 2.057 1.00 0.00 N ATOM 117 CA SER A 9 0.780 15.384 1.620 1.00 0.00 C ATOM 118 C SER A 9 1.576 14.152 2.076 1.00 0.00 C ATOM 119 O SER A 9 2.474 13.792 1.308 1.00 0.00 O ATOM 120 CB SER A 9 1.640 16.623 1.893 1.00 0.00 C ATOM 121 OG SER A 9 1.221 17.804 1.212 1.00 0.00 O ATOM 0 H SER A 9 -0.733 16.318 2.678 1.00 0.00 H new ATOM 0 HA SER A 9 0.602 15.251 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.639 16.819 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.669 16.403 1.610 1.00 0.00 H new ATOM 0 HG SER A 9 1.820 18.544 1.442 1.00 0.00 H new ATOM 126 N LEU A 10 1.076 13.398 3.071 1.00 0.00 N ATOM 127 CA LEU A 10 1.237 11.965 3.344 1.00 0.00 C ATOM 128 C LEU A 10 0.506 11.018 2.387 1.00 0.00 C ATOM 129 O LEU A 10 1.262 10.266 1.775 1.00 0.00 O ATOM 130 CB LEU A 10 1.135 11.710 4.857 1.00 0.00 C ATOM 131 CG LEU A 10 0.809 10.404 5.607 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.677 10.189 6.842 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.659 10.383 6.005 1.00 0.00 C ATOM 0 H LEU A 10 0.484 13.830 3.780 1.00 0.00 H new ATOM 0 HA LEU A 10 2.250 11.666 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.098 12.027 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.392 12.425 5.210 1.00 0.00 H new ATOM 0 HG LEU A 10 1.026 9.588 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.397 9.253 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.725 10.146 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.529 11.014 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.879 9.456 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.872 11.232 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.279 10.446 5.111 1.00 0.00 H new ATOM 144 N ALA A 11 -0.771 11.194 2.028 1.00 0.00 N ATOM 145 CA ALA A 11 -1.566 10.354 1.121 1.00 0.00 C ATOM 146 C ALA A 11 -1.197 10.245 -0.369 1.00 0.00 C ATOM 147 O ALA A 11 -1.465 9.201 -0.971 1.00 0.00 O ATOM 148 CB ALA A 11 -2.998 10.829 1.269 1.00 0.00 C ATOM 0 H ALA A 11 -1.314 11.979 2.387 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.360 9.332 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.645 10.242 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.317 10.706 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.063 11.881 0.992 1.00 0.00 H new ATOM 154 N ILE A 12 -0.195 11.067 -0.694 1.00 0.00 N ATOM 155 CA ILE A 12 0.779 11.050 -1.797 1.00 0.00 C ATOM 156 C ILE A 12 2.121 10.396 -1.418 1.00 0.00 C ATOM 157 O ILE A 12 2.147 9.227 -1.804 1.00 0.00 O ATOM 158 CB ILE A 12 0.688 12.401 -2.572 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.028 12.449 -3.941 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.894 13.325 -2.718 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.521 12.681 -3.993 1.00 0.00 C ATOM 0 H ILE A 12 -0.022 11.880 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 12 0.540 10.335 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 12 0.052 12.780 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.445 13.235 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.174 11.506 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.609 14.207 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.240 13.631 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.695 12.798 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.853 12.684 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.032 11.885 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.756 13.641 -3.534 1.00 0.00 H new ATOM 172 N THR A 13 2.920 10.855 -0.442 1.00 0.00 N ATOM 173 CA THR A 13 4.219 10.347 0.066 1.00 0.00 C ATOM 174 C THR A 13 4.411 8.847 0.378 1.00 0.00 C ATOM 175 O THR A 13 5.030 8.164 -0.441 1.00 0.00 O ATOM 176 CB THR A 13 4.845 11.428 0.996 1.00 0.00 C ATOM 177 OG1 THR A 13 6.171 11.745 0.553 1.00 0.00 O ATOM 178 CG2 THR A 13 4.835 11.617 2.518 1.00 0.00 C ATOM 0 H THR A 13 2.645 11.690 0.076 1.00 0.00 H new ATOM 0 HA THR A 13 4.876 10.225 -0.795 1.00 0.00 H new ATOM 0 HB THR A 13 3.951 12.033 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.616 12.302 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.399 12.513 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.807 11.722 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.292 10.750 2.995 1.00 0.00 H new ATOM 186 N PHE A 14 3.533 8.392 1.275 1.00 0.00 N ATOM 187 CA PHE A 14 2.907 7.136 1.726 1.00 0.00 C ATOM 188 C PHE A 14 2.161 6.209 0.765 1.00 0.00 C ATOM 189 O PHE A 14 2.326 4.994 0.920 1.00 0.00 O ATOM 190 CB PHE A 14 2.284 7.444 3.106 1.00 0.00 C ATOM 191 CG PHE A 14 0.953 6.936 3.611 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.200 7.440 3.030 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.817 5.849 4.472 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.391 6.743 3.114 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.387 5.168 4.592 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.485 5.575 3.851 1.00 0.00 C ATOM 0 H PHE A 14 3.135 9.118 1.870 1.00 0.00 H new ATOM 0 HA PHE A 14 3.694 6.385 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.021 7.121 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.228 8.531 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.168 8.385 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.666 5.529 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.262 7.116 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.468 4.324 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.395 4.993 3.849 1.00 0.00 H new ATOM 205 N GLY A 15 1.597 6.812 -0.283 1.00 0.00 N ATOM 206 CA GLY A 15 0.560 6.315 -1.177 1.00 0.00 C ATOM 207 C GLY A 15 0.982 5.835 -2.560 1.00 0.00 C ATOM 208 O GLY A 15 0.133 5.149 -3.137 1.00 0.00 O ATOM 0 H GLY A 15 1.887 7.753 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.054 5.489 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.177 7.108 -1.308 1.00 0.00 H new ATOM 212 N ILE A 16 2.117 6.318 -3.105 1.00 0.00 N ATOM 213 CA ILE A 16 3.058 5.581 -3.930 1.00 0.00 C ATOM 214 C ILE A 16 3.754 4.353 -3.300 1.00 0.00 C ATOM 215 O ILE A 16 3.838 3.362 -4.039 1.00 0.00 O ATOM 216 CB ILE A 16 3.928 6.428 -4.892 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.777 7.673 -4.586 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.517 6.352 -6.360 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.079 8.946 -4.206 1.00 0.00 C ATOM 0 H ILE A 16 2.405 7.287 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 16 2.363 5.085 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 16 4.731 5.814 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.460 7.416 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.388 7.881 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.182 6.976 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.583 5.320 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.492 6.706 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.818 9.726 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.419 9.255 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.492 8.783 -3.302 1.00 0.00 H new ATOM 230 N VAL A 17 3.988 4.327 -1.964 1.00 0.00 N ATOM 231 CA VAL A 17 4.398 3.230 -1.077 1.00 0.00 C ATOM 232 C VAL A 17 3.269 2.257 -0.673 1.00 0.00 C ATOM 233 O VAL A 17 3.602 1.066 -0.643 1.00 0.00 O ATOM 234 CB VAL A 17 5.276 3.634 0.145 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.626 2.938 0.206 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.832 5.045 0.169 1.00 0.00 C ATOM 0 H VAL A 17 3.877 5.186 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 17 5.063 2.671 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 17 4.542 3.408 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.171 3.277 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.477 1.860 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.199 3.177 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.422 5.188 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.464 5.202 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.010 5.760 0.155 1.00 0.00 H new ATOM 246 N MET A 18 1.998 2.683 -0.478 1.00 0.00 N ATOM 247 CA MET A 18 0.746 1.909 -0.453 1.00 0.00 C ATOM 248 C MET A 18 0.331 1.247 -1.778 1.00 0.00 C ATOM 249 O MET A 18 0.182 0.029 -1.663 1.00 0.00 O ATOM 250 CB MET A 18 -0.335 2.816 0.150 1.00 0.00 C ATOM 251 CG MET A 18 -1.435 2.279 1.068 1.00 0.00 C ATOM 252 SD MET A 18 -2.920 3.288 1.242 1.00 0.00 S ATOM 253 CE MET A 18 -4.157 1.991 1.265 1.00 0.00 C ATOM 0 H MET A 18 1.812 3.673 -0.320 1.00 0.00 H new ATOM 0 HA MET A 18 0.905 1.029 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.185 3.594 0.708 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.836 3.304 -0.686 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.734 1.297 0.701 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.007 2.132 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.147 2.435 1.368 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.108 1.425 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.969 1.324 2.106 1.00 0.00 H new ATOM 261 N MET A 19 0.519 1.851 -2.967 1.00 0.00 N ATOM 262 CA MET A 19 0.266 1.338 -4.316 1.00 0.00 C ATOM 263 C MET A 19 1.223 0.224 -4.761 1.00 0.00 C ATOM 264 O MET A 19 0.633 -0.792 -5.138 1.00 0.00 O ATOM 265 CB MET A 19 0.198 2.539 -5.296 1.00 0.00 C ATOM 266 CG MET A 19 -0.771 2.642 -6.475 1.00 0.00 C ATOM 267 SD MET A 19 -0.291 3.599 -7.935 1.00 0.00 S ATOM 268 CE MET A 19 0.896 2.654 -8.893 1.00 0.00 C ATOM 0 H MET A 19 0.887 2.801 -3.004 1.00 0.00 H new ATOM 0 HA MET A 19 -0.697 0.828 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.019 3.421 -4.681 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.198 2.642 -5.717 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.993 1.628 -6.807 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.702 3.065 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.189 3.225 -9.774 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.776 2.450 -8.283 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.445 1.712 -9.205 1.00 0.00 H new ATOM 276 N THR A 20 2.436 0.191 -4.186 1.00 0.00 N ATOM 277 CA THR A 20 3.441 -0.866 -4.284 1.00 0.00 C ATOM 278 C THR A 20 3.291 -2.053 -3.320 1.00 0.00 C ATOM 279 O THR A 20 3.436 -3.149 -3.861 1.00 0.00 O ATOM 280 CB THR A 20 4.898 -0.349 -4.243 1.00 0.00 C ATOM 281 OG1 THR A 20 5.179 0.748 -3.357 1.00 0.00 O ATOM 282 CG2 THR A 20 5.510 -0.024 -5.603 1.00 0.00 C ATOM 0 H THR A 20 2.758 0.961 -3.599 1.00 0.00 H new ATOM 0 HA THR A 20 3.225 -1.259 -5.278 1.00 0.00 H new ATOM 0 HB THR A 20 5.376 -1.236 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.701 1.547 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.532 0.330 -5.467 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.516 -0.921 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.920 0.751 -6.092 1.00 0.00 H new ATOM 290 N LEU A 21 2.762 -1.887 -2.096 1.00 0.00 N ATOM 291 CA LEU A 21 2.201 -2.859 -1.134 1.00 0.00 C ATOM 292 C LEU A 21 0.825 -3.466 -1.469 1.00 0.00 C ATOM 293 O LEU A 21 0.903 -4.691 -1.545 1.00 0.00 O ATOM 294 CB LEU A 21 2.323 -2.492 0.360 1.00 0.00 C ATOM 295 CG LEU A 21 3.405 -3.055 1.295 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.348 -2.267 2.594 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.215 -4.487 1.773 1.00 0.00 C ATOM 0 H LEU A 21 2.710 -0.946 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 21 2.907 -3.674 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.419 -1.407 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.365 -2.744 0.815 1.00 0.00 H new ATOM 0 HG LEU A 21 4.319 -2.995 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.106 -2.643 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.535 -1.213 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.362 -2.379 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.043 -4.766 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.278 -4.565 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.188 -5.157 0.914 1.00 0.00 H new ATOM 308 N ILE A 22 -0.140 -2.771 -2.106 1.00 0.00 N ATOM 309 CA ILE A 22 -1.456 -3.184 -2.633 1.00 0.00 C ATOM 310 C ILE A 22 -1.490 -4.150 -3.825 1.00 0.00 C ATOM 311 O ILE A 22 -2.293 -5.088 -3.824 1.00 0.00 O ATOM 312 CB ILE A 22 -2.584 -2.135 -2.616 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.024 -2.556 -2.886 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.405 -0.800 -3.276 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.955 -2.936 -1.763 1.00 0.00 C ATOM 0 H ILE A 22 0.006 -1.778 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.730 -3.848 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.425 -2.020 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.498 -1.737 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.984 -3.407 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.312 -0.208 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.565 -0.277 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.207 -0.943 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.929 -3.202 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.544 -3.788 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.066 -2.093 -1.081 1.00 0.00 H new ATOM 326 N VAL A 23 -0.645 -3.831 -4.816 1.00 0.00 N ATOM 327 CA VAL A 23 -0.254 -4.472 -6.066 1.00 0.00 C ATOM 328 C VAL A 23 0.700 -5.651 -5.792 1.00 0.00 C ATOM 329 O VAL A 23 0.597 -6.637 -6.529 1.00 0.00 O ATOM 330 CB VAL A 23 0.215 -3.307 -6.971 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.684 -3.830 -8.320 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.852 -2.388 -7.563 1.00 0.00 C ATOM 0 H VAL A 23 -0.132 -2.953 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.044 -4.988 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 23 0.904 -2.815 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.009 -2.995 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.516 -4.519 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.136 -4.351 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.374 -1.621 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.533 -2.972 -8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.412 -1.914 -6.757 1.00 0.00 H new ATOM 342 N ILE A 24 1.342 -5.638 -4.605 1.00 0.00 N ATOM 343 CA ILE A 24 2.067 -6.710 -3.917 1.00 0.00 C ATOM 344 C ILE A 24 1.306 -7.746 -3.065 1.00 0.00 C ATOM 345 O ILE A 24 1.533 -8.950 -3.225 1.00 0.00 O ATOM 346 CB ILE A 24 3.507 -6.207 -3.605 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.765 -6.515 -4.432 1.00 0.00 C ATOM 348 CG2 ILE A 24 3.973 -6.371 -2.174 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.908 -5.816 -5.757 1.00 0.00 C ATOM 0 H ILE A 24 1.363 -4.781 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 24 2.210 -7.578 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 24 3.191 -5.216 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.636 -6.269 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.795 -7.590 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.988 -5.987 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.309 -5.818 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.957 -7.427 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.839 -6.125 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.067 -6.078 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.922 -4.737 -5.600 1.00 0.00 H new ATOM 360 N TYR A 25 0.320 -7.246 -2.311 1.00 0.00 N ATOM 361 CA TYR A 25 -0.862 -7.825 -1.647 1.00 0.00 C ATOM 362 C TYR A 25 -1.895 -8.528 -2.548 1.00 0.00 C ATOM 363 O TYR A 25 -1.982 -9.730 -2.290 1.00 0.00 O ATOM 364 CB TYR A 25 -1.278 -6.877 -0.501 1.00 0.00 C ATOM 365 CG TYR A 25 -0.854 -7.048 0.959 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.448 -7.296 1.406 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.772 -6.709 1.955 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.770 -7.258 2.767 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.463 -6.655 3.307 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.174 -6.924 3.726 1.00 0.00 C ATOM 371 OH TYR A 25 0.136 -6.846 5.070 1.00 0.00 O ATOM 0 H TYR A 25 0.338 -6.244 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.626 -8.764 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.948 -5.881 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.368 -6.864 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.221 -7.521 0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.783 -6.475 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.777 -7.494 3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.227 -6.404 4.028 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.665 -6.596 5.576 1.00 0.00 H new ATOM 380 N HIS A 26 -2.040 -8.084 -3.805 1.00 0.00 N ATOM 381 CA HIS A 26 -2.601 -8.775 -4.976 1.00 0.00 C ATOM 382 C HIS A 26 -1.784 -9.836 -5.726 1.00 0.00 C ATOM 383 O HIS A 26 -2.339 -10.570 -6.552 1.00 0.00 O ATOM 384 CB HIS A 26 -3.186 -7.673 -5.885 1.00 0.00 C ATOM 385 CG HIS A 26 -3.971 -7.770 -7.167 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.272 -8.179 -7.352 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.339 -8.020 -8.326 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.397 -8.749 -8.538 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.233 -8.663 -9.159 1.00 0.00 N ATOM 0 H HIS A 26 -1.738 -7.141 -4.051 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.349 -9.464 -4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.822 -7.086 -5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.329 -7.049 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.317 -7.764 -8.563 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.293 -9.205 -8.931 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.030 -9.013 -10.095 1.00 0.00 H new ATOM 397 N ALA A 27 -0.529 -9.984 -5.287 1.00 0.00 N ATOM 398 CA ALA A 27 0.361 -11.118 -5.541 1.00 0.00 C ATOM 399 C ALA A 27 0.418 -12.163 -4.419 1.00 0.00 C ATOM 400 O ALA A 27 -0.145 -13.193 -4.787 1.00 0.00 O ATOM 401 CB ALA A 27 1.667 -10.566 -6.103 1.00 0.00 C ATOM 0 H ALA A 27 -0.082 -9.271 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.049 -11.772 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.353 -11.389 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.466 -10.028 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.116 -9.887 -5.379 1.00 0.00 H new ATOM 407 N VAL A 28 0.403 -11.775 -3.132 1.00 0.00 N ATOM 408 CA VAL A 28 0.509 -12.581 -1.908 1.00 0.00 C ATOM 409 C VAL A 28 -0.793 -13.191 -1.349 1.00 0.00 C ATOM 410 O VAL A 28 -0.867 -14.418 -1.438 1.00 0.00 O ATOM 411 CB VAL A 28 1.536 -12.005 -0.888 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.689 -11.195 -1.447 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.264 -11.380 0.475 1.00 0.00 C ATOM 0 H VAL A 28 0.306 -10.786 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 28 0.967 -13.514 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 28 1.678 -13.059 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.325 -10.856 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.272 -11.815 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.299 -10.331 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.207 -11.079 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.625 -10.506 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.766 -12.107 1.116 1.00 0.00 H new ATOM 423 N ASP A 29 -1.839 -12.395 -1.059 1.00 0.00 N ATOM 424 CA ASP A 29 -3.195 -12.621 -0.521 1.00 0.00 C ATOM 425 C ASP A 29 -4.143 -13.485 -1.381 1.00 0.00 C ATOM 426 O ASP A 29 -4.850 -14.328 -0.819 1.00 0.00 O ATOM 427 CB ASP A 29 -3.708 -11.198 -0.209 1.00 0.00 C ATOM 428 CG ASP A 29 -4.725 -10.937 0.911 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.916 -11.290 0.762 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.469 -10.076 1.786 1.00 0.00 O ATOM 0 H ASP A 29 -1.726 -11.396 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.161 -13.255 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.832 -10.587 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.145 -10.810 -1.129 1.00 0.00 H new ATOM 434 N SER A 30 -4.191 -13.223 -2.697 1.00 0.00 N ATOM 435 CA SER A 30 -4.486 -13.994 -3.921 1.00 0.00 C ATOM 436 C SER A 30 -3.725 -15.288 -4.277 1.00 0.00 C ATOM 437 O SER A 30 -2.627 -15.484 -3.750 1.00 0.00 O ATOM 438 CB SER A 30 -4.384 -12.870 -4.959 1.00 0.00 C ATOM 439 OG SER A 30 -4.327 -13.162 -6.346 1.00 0.00 O ATOM 0 H SER A 30 -3.979 -12.266 -2.979 1.00 0.00 H new ATOM 0 HA SER A 30 -5.438 -14.516 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.241 -12.214 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.492 -12.291 -4.717 1.00 0.00 H new ATOM 0 HG SER A 30 -4.266 -12.326 -6.854 1.00 0.00 H new ATOM 444 N THR A 31 -4.338 -16.164 -5.096 1.00 0.00 N ATOM 445 CA THR A 31 -3.943 -17.459 -5.681 1.00 0.00 C ATOM 446 C THR A 31 -2.648 -17.531 -6.520 1.00 0.00 C ATOM 447 O THR A 31 -2.610 -17.164 -7.699 1.00 0.00 O ATOM 448 CB THR A 31 -5.261 -18.136 -6.169 1.00 0.00 C ATOM 449 OG1 THR A 31 -5.186 -19.551 -6.380 1.00 0.00 O ATOM 450 CG2 THR A 31 -6.095 -17.619 -7.341 1.00 0.00 C ATOM 0 H THR A 31 -5.280 -15.937 -5.413 1.00 0.00 H new ATOM 0 HA THR A 31 -3.494 -18.109 -4.930 1.00 0.00 H new ATOM 0 HB THR A 31 -5.787 -17.814 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.087 -19.908 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.963 -18.263 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.427 -16.602 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.490 -17.622 -8.248 1.00 0.00 H new ATOM 458 N MET A 32 -1.585 -17.567 -5.695 1.00 0.00 N ATOM 459 CA MET A 32 -0.127 -17.741 -5.846 1.00 0.00 C ATOM 460 C MET A 32 0.426 -18.932 -5.032 1.00 0.00 C ATOM 461 O MET A 32 -0.365 -19.706 -4.489 1.00 0.00 O ATOM 462 CB MET A 32 0.500 -16.413 -5.378 1.00 0.00 C ATOM 463 CG MET A 32 1.460 -15.663 -6.298 1.00 0.00 C ATOM 464 SD MET A 32 3.218 -15.833 -5.925 1.00 0.00 S ATOM 465 CE MET A 32 3.704 -14.238 -5.263 1.00 0.00 C ATOM 0 H MET A 32 -1.778 -17.449 -4.700 1.00 0.00 H new ATOM 0 HA MET A 32 0.121 -17.973 -6.882 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.318 -15.734 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.031 -16.614 -4.448 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.292 -16.004 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.205 -14.604 -6.269 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.764 -14.257 -5.010 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.523 -13.464 -6.009 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.121 -14.023 -4.368 1.00 0.00 H new ATOM 473 N SER A 33 1.736 -19.223 -5.091 1.00 0.00 N ATOM 474 CA SER A 33 2.614 -19.954 -4.155 1.00 0.00 C ATOM 475 C SER A 33 2.712 -19.453 -2.695 1.00 0.00 C ATOM 476 O SER A 33 2.960 -18.253 -2.560 1.00 0.00 O ATOM 477 CB SER A 33 3.941 -20.051 -4.940 1.00 0.00 C ATOM 478 OG SER A 33 4.716 -21.216 -4.719 1.00 0.00 O ATOM 0 H SER A 33 2.275 -18.912 -5.899 1.00 0.00 H new ATOM 0 HA SER A 33 2.192 -20.926 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.715 -19.987 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.550 -19.182 -4.691 1.00 0.00 H new ATOM 0 HG SER A 33 5.530 -21.176 -5.264 1.00 0.00 H new ATOM 483 N PRO A 34 2.230 -20.158 -1.626 1.00 0.00 N ATOM 484 CA PRO A 34 2.420 -19.778 -0.203 1.00 0.00 C ATOM 485 C PRO A 34 3.742 -19.996 0.555 1.00 0.00 C ATOM 486 O PRO A 34 4.201 -21.115 0.811 1.00 0.00 O ATOM 487 CB PRO A 34 1.153 -20.219 0.550 1.00 0.00 C ATOM 488 CG PRO A 34 0.238 -20.844 -0.443 1.00 0.00 C ATOM 489 CD PRO A 34 1.060 -21.067 -1.688 1.00 0.00 C ATOM 0 HA PRO A 34 2.566 -18.699 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.403 -20.927 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.674 -19.365 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.161 -21.786 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.614 -20.196 -0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.386 -22.105 -1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.466 -20.865 -2.579 1.00 0.00 H new ATOM 494 N LYS A 35 4.380 -18.816 0.642 1.00 0.00 N ATOM 495 CA LYS A 35 5.739 -18.398 1.033 1.00 0.00 C ATOM 496 C LYS A 35 5.890 -17.751 2.420 1.00 0.00 C ATOM 497 O LYS A 35 5.062 -16.904 2.773 1.00 0.00 O ATOM 498 CB LYS A 35 6.448 -17.763 -0.188 1.00 0.00 C ATOM 499 CG LYS A 35 7.203 -16.463 -0.478 1.00 0.00 C ATOM 500 CD LYS A 35 8.517 -16.199 0.243 1.00 0.00 C ATOM 501 CE LYS A 35 9.473 -15.084 -0.118 1.00 0.00 C ATOM 502 NZ LYS A 35 10.570 -15.246 0.881 1.00 0.00 N ATOM 0 H LYS A 35 3.851 -17.981 0.392 1.00 0.00 H new ATOM 0 HA LYS A 35 6.329 -19.281 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.169 -18.529 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.666 -17.762 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.402 -16.430 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.531 -15.635 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.264 -16.054 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.090 -17.124 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.840 -15.182 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.999 -14.105 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.295 -14.517 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.183 -15.145 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.998 -16.188 0.777 1.00 0.00 H new ATOM 512 N ASN A 36 6.682 -18.449 3.260 1.00 0.00 N ATOM 513 CA ASN A 36 7.313 -17.978 4.501 1.00 0.00 C ATOM 514 C ASN A 36 8.701 -17.324 4.493 1.00 0.00 C ATOM 515 O ASN A 36 8.758 -16.151 4.925 1.00 0.00 O ATOM 516 CB ASN A 36 7.125 -18.996 5.659 1.00 0.00 C ATOM 517 CG ASN A 36 7.605 -20.427 5.447 1.00 0.00 C ATOM 518 OD1 ASN A 36 8.777 -20.762 5.633 1.00 0.00 O ATOM 519 ND2 ASN A 36 6.668 -21.346 5.227 1.00 0.00 N ATOM 520 OXT ASN A 36 9.663 -17.828 3.875 1.00 0.00 O ATOM 0 H ASN A 36 6.911 -19.425 3.072 1.00 0.00 H new ATOM 0 HA ASN A 36 6.730 -17.073 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.637 -18.600 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.063 -19.034 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.917 -22.335 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.701 -21.061 5.074 1.00 0.00 H new TER 526 ASN A 36