USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 310 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 25 TYR OH : rot 30:sc= 0.607 USER MOD Set 1.2: A 36 GLN : amide:sc= -0.386 K(o=0.22,f=-0.71!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00453 (180deg=-0.16) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.027) USER MOD Single : A 12 ASN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.312 USER MOD Single : A 26 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.029) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.122 F(o=-0.77,f=-0.12) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.229 F(o=-1.2,f=-0.23) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.407 6.421 -4.092 1.00 0.00 N ATOM 2 CA MET A 1 -1.433 7.874 -3.962 1.00 0.00 C ATOM 3 C MET A 1 -0.685 8.321 -2.710 1.00 0.00 C ATOM 4 O MET A 1 -0.004 9.347 -2.716 1.00 0.00 O ATOM 5 CB MET A 1 -2.877 8.377 -3.914 1.00 0.00 C ATOM 6 CG MET A 1 -3.023 9.842 -4.294 1.00 0.00 C ATOM 7 SD MET A 1 -4.482 10.607 -3.561 1.00 0.00 S ATOM 8 CE MET A 1 -4.520 12.169 -4.437 1.00 0.00 C ATOM 0 H1 MET A 1 -1.738 6.151 -5.040 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.435 6.077 -3.954 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.029 5.997 -3.375 1.00 0.00 H new ATOM 0 HA MET A 1 -0.936 8.301 -4.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.486 7.773 -4.587 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.271 8.230 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.134 10.386 -3.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.079 9.928 -5.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.370 12.758 -4.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.597 12.717 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.616 11.984 -5.507 1.00 0.00 H new ATOM 18 N ILE A 2 -0.815 7.545 -1.640 1.00 0.00 N ATOM 19 CA ILE A 2 -0.150 7.861 -0.382 1.00 0.00 C ATOM 20 C ILE A 2 1.067 6.969 -0.163 1.00 0.00 C ATOM 21 O ILE A 2 0.964 5.742 -0.187 1.00 0.00 O ATOM 22 CB ILE A 2 -1.107 7.707 0.815 1.00 0.00 C ATOM 23 CG1 ILE A 2 -2.326 8.616 0.642 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.384 8.024 2.116 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.979 10.086 0.572 1.00 0.00 C ATOM 0 H ILE A 2 -1.375 6.693 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 2 0.172 8.900 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.451 6.673 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.854 8.332 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.012 8.452 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.074 7.911 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.455 7.340 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.015 9.049 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.891 10.670 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.478 10.386 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.318 10.264 -0.276 1.00 0.00 H new ATOM 37 N THR A 3 2.221 7.593 0.051 1.00 0.00 N ATOM 38 CA THR A 3 3.458 6.856 0.275 1.00 0.00 C ATOM 39 C THR A 3 3.760 6.728 1.763 1.00 0.00 C ATOM 40 O THR A 3 4.690 7.353 2.273 1.00 0.00 O ATOM 41 CB THR A 3 4.651 7.537 -0.423 1.00 0.00 C ATOM 42 OG1 THR A 3 4.254 8.022 -1.711 1.00 0.00 O ATOM 43 CG2 THR A 3 5.813 6.567 -0.577 1.00 0.00 C ATOM 0 H THR A 3 2.325 8.607 0.074 1.00 0.00 H new ATOM 0 HA THR A 3 3.316 5.863 -0.150 1.00 0.00 H new ATOM 0 HB THR A 3 4.976 8.374 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.017 8.455 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.644 7.070 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.132 6.222 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.497 5.713 -1.176 1.00 0.00 H new ATOM 51 N ASP A 4 2.970 5.915 2.454 1.00 0.00 N ATOM 52 CA ASP A 4 3.154 5.703 3.885 1.00 0.00 C ATOM 53 C ASP A 4 3.614 4.276 4.169 1.00 0.00 C ATOM 54 O ASP A 4 3.365 3.735 5.247 1.00 0.00 O ATOM 55 CB ASP A 4 1.854 5.992 4.637 1.00 0.00 C ATOM 56 CG ASP A 4 2.099 6.470 6.055 1.00 0.00 C ATOM 57 OD1 ASP A 4 3.239 6.322 6.542 1.00 0.00 O ATOM 58 OD2 ASP A 4 1.150 6.991 6.678 1.00 0.00 O ATOM 0 H ASP A 4 2.195 5.391 2.047 1.00 0.00 H new ATOM 0 HA ASP A 4 3.926 6.390 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.285 6.747 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.243 5.089 4.661 1.00 0.00 H new ATOM 63 N VAL A 5 4.285 3.671 3.194 1.00 0.00 N ATOM 64 CA VAL A 5 4.779 2.307 3.338 1.00 0.00 C ATOM 65 C VAL A 5 5.993 2.257 4.260 1.00 0.00 C ATOM 66 O VAL A 5 6.388 1.188 4.724 1.00 0.00 O ATOM 67 CB VAL A 5 5.159 1.701 1.974 1.00 0.00 C ATOM 68 CG1 VAL A 5 5.523 0.231 2.126 1.00 0.00 C ATOM 69 CG2 VAL A 5 4.023 1.877 0.979 1.00 0.00 C ATOM 0 H VAL A 5 4.499 4.104 2.296 1.00 0.00 H new ATOM 0 HA VAL A 5 3.970 1.721 3.775 1.00 0.00 H new ATOM 0 HB VAL A 5 6.032 2.229 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.789 -0.181 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.371 0.134 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.671 -0.315 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.308 1.443 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.131 1.375 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.815 2.939 0.849 1.00 0.00 H new ATOM 79 N GLN A 6 6.580 3.421 4.520 1.00 0.00 N ATOM 80 CA GLN A 6 7.749 3.510 5.387 1.00 0.00 C ATOM 81 C GLN A 6 7.406 3.079 6.809 1.00 0.00 C ATOM 82 O GLN A 6 8.152 2.327 7.438 1.00 0.00 O ATOM 83 CB GLN A 6 8.299 4.937 5.392 1.00 0.00 C ATOM 84 CG GLN A 6 8.354 5.573 4.012 1.00 0.00 C ATOM 85 CD GLN A 6 9.042 4.690 2.990 1.00 0.00 C ATOM 86 OE1 GLN A 6 10.267 4.562 2.987 1.00 0.00 O ATOM 87 NE2 GLN A 6 8.256 4.076 2.113 1.00 0.00 N ATOM 0 H GLN A 6 6.265 4.315 4.143 1.00 0.00 H new ATOM 0 HA GLN A 6 8.512 2.836 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.679 5.554 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.302 4.930 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.340 5.790 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.879 6.526 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.246 4.210 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.663 3.470 1.400 1.00 0.00 H new ATOM 96 N LEU A 7 6.275 3.561 7.311 1.00 0.00 N ATOM 97 CA LEU A 7 5.833 3.226 8.661 1.00 0.00 C ATOM 98 C LEU A 7 5.762 1.714 8.851 1.00 0.00 C ATOM 99 O LEU A 7 6.007 1.204 9.944 1.00 0.00 O ATOM 100 CB LEU A 7 4.465 3.852 8.941 1.00 0.00 C ATOM 101 CG LEU A 7 3.757 3.376 10.210 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.538 4.538 11.166 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.433 2.711 9.864 1.00 0.00 C ATOM 0 H LEU A 7 5.647 4.185 6.804 1.00 0.00 H new ATOM 0 HA LEU A 7 6.561 3.628 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.588 4.933 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.815 3.652 8.089 1.00 0.00 H new ATOM 0 HG LEU A 7 4.392 2.640 10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.033 4.181 12.063 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.500 4.971 11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.923 5.297 10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.943 2.378 10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.791 3.425 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.615 1.853 9.217 1.00 0.00 H new ATOM 115 N ALA A 8 5.428 1.003 7.779 1.00 0.00 N ATOM 116 CA ALA A 8 5.329 -0.450 7.827 1.00 0.00 C ATOM 117 C ALA A 8 6.592 -1.067 8.420 1.00 0.00 C ATOM 118 O ALA A 8 6.529 -2.069 9.133 1.00 0.00 O ATOM 119 CB ALA A 8 5.070 -1.008 6.436 1.00 0.00 C ATOM 0 H ALA A 8 5.221 1.410 6.867 1.00 0.00 H new ATOM 0 HA ALA A 8 4.491 -0.711 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.998 -2.094 6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.136 -0.601 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.890 -0.729 5.774 1.00 0.00 H new ATOM 125 N ILE A 9 7.737 -0.463 8.119 1.00 0.00 N ATOM 126 CA ILE A 9 9.014 -0.954 8.622 1.00 0.00 C ATOM 127 C ILE A 9 9.108 -0.789 10.135 1.00 0.00 C ATOM 128 O ILE A 9 9.777 -1.568 10.815 1.00 0.00 O ATOM 129 CB ILE A 9 10.197 -0.222 7.963 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.148 -0.392 6.443 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.516 -0.740 8.517 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.125 0.494 5.703 1.00 0.00 C ATOM 0 H ILE A 9 7.806 0.367 7.530 1.00 0.00 H new ATOM 0 HA ILE A 9 9.067 -2.013 8.370 1.00 0.00 H new ATOM 0 HB ILE A 9 10.121 0.841 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.355 -1.433 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.138 -0.176 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.343 -0.213 8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.550 -0.572 9.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.602 -1.807 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.034 0.320 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.905 1.539 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.141 0.263 6.023 1.00 0.00 H new ATOM 144 N PHE A 10 8.432 0.229 10.657 1.00 0.00 N ATOM 145 CA PHE A 10 8.439 0.496 12.091 1.00 0.00 C ATOM 146 C PHE A 10 7.421 -0.383 12.812 1.00 0.00 C ATOM 147 O PHE A 10 7.595 -0.717 13.984 1.00 0.00 O ATOM 148 CB PHE A 10 8.134 1.972 12.358 1.00 0.00 C ATOM 149 CG PHE A 10 8.404 2.393 13.774 1.00 0.00 C ATOM 150 CD1 PHE A 10 9.621 2.113 14.374 1.00 0.00 C ATOM 151 CD2 PHE A 10 7.440 3.068 14.506 1.00 0.00 C ATOM 152 CE1 PHE A 10 9.873 2.500 15.677 1.00 0.00 C ATOM 153 CE2 PHE A 10 7.686 3.457 15.809 1.00 0.00 C ATOM 154 CZ PHE A 10 8.903 3.172 16.396 1.00 0.00 C ATOM 0 H PHE A 10 7.873 0.882 10.109 1.00 0.00 H new ATOM 0 HA PHE A 10 9.432 0.262 12.474 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.732 2.586 11.685 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.088 2.167 12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.382 1.586 13.817 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.486 3.293 14.053 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.827 2.277 16.132 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.927 3.984 16.368 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.096 3.474 17.415 1.00 0.00 H new ATOM 164 N ALA A 11 6.360 -0.753 12.104 1.00 0.00 N ATOM 165 CA ALA A 11 5.315 -1.594 12.675 1.00 0.00 C ATOM 166 C ALA A 11 5.699 -3.068 12.607 1.00 0.00 C ATOM 167 O ALA A 11 5.481 -3.820 13.556 1.00 0.00 O ATOM 168 CB ALA A 11 3.995 -1.357 11.956 1.00 0.00 C ATOM 0 H ALA A 11 6.201 -0.484 11.133 1.00 0.00 H new ATOM 0 HA ALA A 11 5.198 -1.324 13.724 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.224 -1.992 12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.706 -0.311 12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.108 -1.598 10.899 1.00 0.00 H new ATOM 174 N ASN A 12 6.272 -3.475 11.479 1.00 0.00 N ATOM 175 CA ASN A 12 6.685 -4.860 11.287 1.00 0.00 C ATOM 176 C ASN A 12 7.783 -5.242 12.275 1.00 0.00 C ATOM 177 O ASN A 12 7.810 -6.361 12.786 1.00 0.00 O ATOM 178 CB ASN A 12 7.176 -5.074 9.854 1.00 0.00 C ATOM 179 CG ASN A 12 6.743 -6.413 9.288 1.00 0.00 C ATOM 180 OD1 ASN A 12 7.575 -7.260 8.963 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.435 -6.610 9.169 1.00 0.00 N ATOM 0 H ASN A 12 6.461 -2.865 10.684 1.00 0.00 H new ATOM 0 HA ASN A 12 5.820 -5.499 11.467 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.795 -4.274 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.264 -5.008 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.084 -7.492 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.781 -5.879 9.451 1.00 0.00 H new ATOM 188 N MET A 13 8.686 -4.303 12.539 1.00 0.00 N ATOM 189 CA MET A 13 9.785 -4.541 13.467 1.00 0.00 C ATOM 190 C MET A 13 9.281 -4.593 14.906 1.00 0.00 C ATOM 191 O MET A 13 9.795 -5.352 15.728 1.00 0.00 O ATOM 192 CB MET A 13 10.846 -3.447 13.326 1.00 0.00 C ATOM 193 CG MET A 13 12.271 -3.970 13.400 1.00 0.00 C ATOM 194 SD MET A 13 12.712 -4.556 15.047 1.00 0.00 S ATOM 195 CE MET A 13 14.494 -4.667 14.902 1.00 0.00 C ATOM 0 H MET A 13 8.678 -3.371 12.124 1.00 0.00 H new ATOM 0 HA MET A 13 10.231 -5.505 13.222 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.704 -2.935 12.374 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.698 -2.706 14.111 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.393 -4.783 12.685 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.960 -3.179 13.104 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.915 -5.017 15.845 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.751 -5.367 14.107 1.00 0.00 H new ATOM 0 HE3 MET A 13 14.902 -3.684 14.666 1.00 0.00 H new ATOM 205 N LEU A 14 8.272 -3.781 15.204 1.00 0.00 N ATOM 206 CA LEU A 14 7.698 -3.735 16.544 1.00 0.00 C ATOM 207 C LEU A 14 7.123 -5.092 16.938 1.00 0.00 C ATOM 208 O LEU A 14 6.898 -5.363 18.116 1.00 0.00 O ATOM 209 CB LEU A 14 6.606 -2.666 16.616 1.00 0.00 C ATOM 210 CG LEU A 14 6.561 -1.836 17.900 1.00 0.00 C ATOM 211 CD1 LEU A 14 6.371 -0.363 17.577 1.00 0.00 C ATOM 212 CD2 LEU A 14 5.452 -2.332 18.816 1.00 0.00 C ATOM 0 H LEU A 14 7.835 -3.146 14.536 1.00 0.00 H new ATOM 0 HA LEU A 14 8.494 -3.481 17.244 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.734 -1.987 15.773 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.640 -3.154 16.489 1.00 0.00 H new ATOM 0 HG LEU A 14 7.512 -1.952 18.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.341 0.212 18.503 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.200 -0.016 16.961 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.435 -0.227 17.036 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.434 -1.730 19.725 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.493 -2.246 18.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.633 -3.375 19.075 1.00 0.00 H new ATOM 224 N GLY A 15 6.890 -5.942 15.942 1.00 0.00 N ATOM 225 CA GLY A 15 6.346 -7.261 16.205 1.00 0.00 C ATOM 226 C GLY A 15 7.350 -8.365 15.941 1.00 0.00 C ATOM 227 O GLY A 15 7.406 -9.352 16.675 1.00 0.00 O ATOM 0 H GLY A 15 7.068 -5.740 14.958 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.016 -7.314 17.243 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.465 -7.418 15.582 1.00 0.00 H new ATOM 231 N VAL A 16 8.146 -8.201 14.889 1.00 0.00 N ATOM 232 CA VAL A 16 9.153 -9.192 14.530 1.00 0.00 C ATOM 233 C VAL A 16 10.049 -9.521 15.718 1.00 0.00 C ATOM 234 O VAL A 16 10.646 -10.596 15.780 1.00 0.00 O ATOM 235 CB VAL A 16 10.029 -8.704 13.360 1.00 0.00 C ATOM 236 CG1 VAL A 16 11.290 -9.547 13.249 1.00 0.00 C ATOM 237 CG2 VAL A 16 9.242 -8.732 12.059 1.00 0.00 C ATOM 0 H VAL A 16 8.113 -7.391 14.270 1.00 0.00 H new ATOM 0 HA VAL A 16 8.617 -10.090 14.223 1.00 0.00 H new ATOM 0 HB VAL A 16 10.327 -7.674 13.556 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.896 -9.188 12.417 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.861 -9.470 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.018 -10.588 13.076 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.876 -8.384 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.913 -9.751 11.854 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.372 -8.081 12.146 1.00 0.00 H new ATOM 247 N SER A 17 10.138 -8.589 16.662 1.00 0.00 N ATOM 248 CA SER A 17 10.964 -8.778 17.848 1.00 0.00 C ATOM 249 C SER A 17 10.439 -9.931 18.698 1.00 0.00 C ATOM 250 O SER A 17 11.130 -10.929 18.908 1.00 0.00 O ATOM 251 CB SER A 17 11.003 -7.494 18.679 1.00 0.00 C ATOM 252 OG SER A 17 10.953 -6.347 17.848 1.00 0.00 O ATOM 0 H SER A 17 9.648 -7.695 16.628 1.00 0.00 H new ATOM 0 HA SER A 17 11.975 -9.021 17.521 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.163 -7.481 19.373 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.913 -7.473 19.279 1.00 0.00 H new ATOM 0 HG SER A 17 10.978 -5.540 18.403 1.00 0.00 H new ATOM 258 N LEU A 18 9.211 -9.787 19.184 1.00 0.00 N ATOM 259 CA LEU A 18 8.590 -10.816 20.012 1.00 0.00 C ATOM 260 C LEU A 18 8.423 -12.116 19.231 1.00 0.00 C ATOM 261 O LEU A 18 8.322 -13.195 19.815 1.00 0.00 O ATOM 262 CB LEU A 18 7.230 -10.336 20.522 1.00 0.00 C ATOM 263 CG LEU A 18 7.170 -8.889 21.010 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.795 -8.574 21.579 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.251 -8.630 22.050 1.00 0.00 C ATOM 0 H LEU A 18 8.626 -8.968 19.019 1.00 0.00 H new ATOM 0 HA LEU A 18 9.244 -11.006 20.863 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.500 -10.459 19.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.920 -10.987 21.339 1.00 0.00 H new ATOM 0 HG LEU A 18 7.348 -8.232 20.159 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.771 -7.539 21.921 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.040 -8.718 20.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.587 -9.239 22.418 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.192 -7.595 22.386 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.105 -9.296 22.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.231 -8.814 21.610 1.00 0.00 H new ATOM 277 N PHE A 19 8.398 -12.005 17.906 1.00 0.00 N ATOM 278 CA PHE A 19 8.244 -13.171 17.045 1.00 0.00 C ATOM 279 C PHE A 19 9.566 -13.921 16.904 1.00 0.00 C ATOM 280 O PHE A 19 9.699 -15.059 17.357 1.00 0.00 O ATOM 281 CB PHE A 19 7.735 -12.749 15.665 1.00 0.00 C ATOM 282 CG PHE A 19 7.463 -13.906 14.746 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.045 -15.126 15.253 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.625 -13.773 13.377 1.00 0.00 C ATOM 285 CE1 PHE A 19 6.795 -16.192 14.410 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.376 -14.836 12.529 1.00 0.00 C ATOM 287 CZ PHE A 19 6.960 -16.047 13.046 1.00 0.00 C ATOM 0 H PHE A 19 8.482 -11.120 17.406 1.00 0.00 H new ATOM 0 HA PHE A 19 7.515 -13.838 17.505 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.820 -12.169 15.786 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.470 -12.092 15.201 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.913 -15.245 16.318 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.950 -12.828 12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.471 -17.138 14.817 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.507 -14.719 11.463 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.764 -16.879 12.386 1.00 0.00 H new ATOM 297 N LEU A 20 10.541 -13.276 16.272 1.00 0.00 N ATOM 298 CA LEU A 20 11.853 -13.881 16.070 1.00 0.00 C ATOM 299 C LEU A 20 12.403 -14.438 17.379 1.00 0.00 C ATOM 300 O LEU A 20 13.059 -15.480 17.396 1.00 0.00 O ATOM 301 CB LEU A 20 12.826 -12.853 15.491 1.00 0.00 C ATOM 302 CG LEU A 20 13.407 -11.845 16.484 1.00 0.00 C ATOM 303 CD1 LEU A 20 14.683 -12.386 17.109 1.00 0.00 C ATOM 304 CD2 LEU A 20 13.670 -10.512 15.798 1.00 0.00 C ATOM 0 H LEU A 20 10.448 -12.335 15.891 1.00 0.00 H new ATOM 0 HA LEU A 20 11.742 -14.705 15.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.652 -13.388 15.022 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.314 -12.302 14.702 1.00 0.00 H new ATOM 0 HG LEU A 20 12.678 -11.685 17.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.082 -11.655 17.813 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.465 -13.315 17.636 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.419 -12.576 16.328 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.083 -9.807 16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.380 -10.656 14.984 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.735 -10.117 15.399 1.00 0.00 H new ATOM 316 N LEU A 21 12.129 -13.738 18.475 1.00 0.00 N ATOM 317 CA LEU A 21 12.595 -14.164 19.791 1.00 0.00 C ATOM 318 C LEU A 21 12.026 -15.532 20.153 1.00 0.00 C ATOM 319 O LEU A 21 12.762 -16.440 20.539 1.00 0.00 O ATOM 320 CB LEU A 21 12.197 -13.136 20.851 1.00 0.00 C ATOM 321 CG LEU A 21 13.287 -12.150 21.272 1.00 0.00 C ATOM 322 CD1 LEU A 21 14.459 -12.887 21.903 1.00 0.00 C ATOM 323 CD2 LEU A 21 13.752 -11.327 20.079 1.00 0.00 C ATOM 0 H LEU A 21 11.587 -12.874 18.479 1.00 0.00 H new ATOM 0 HA LEU A 21 13.682 -14.241 19.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.346 -12.568 20.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.857 -13.671 21.738 1.00 0.00 H new ATOM 0 HG LEU A 21 12.869 -11.471 22.015 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.225 -12.169 22.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.116 -13.431 22.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.877 -13.590 21.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.528 -10.631 20.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.153 -11.991 19.313 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.909 -10.769 19.671 1.00 0.00 H new ATOM 335 N VAL A 22 10.710 -15.673 20.026 1.00 0.00 N ATOM 336 CA VAL A 22 10.042 -16.931 20.337 1.00 0.00 C ATOM 337 C VAL A 22 10.467 -18.032 19.372 1.00 0.00 C ATOM 338 O VAL A 22 10.766 -19.152 19.784 1.00 0.00 O ATOM 339 CB VAL A 22 8.510 -16.780 20.285 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.832 -18.105 20.600 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.049 -15.695 21.245 1.00 0.00 C ATOM 0 H VAL A 22 10.086 -14.931 19.710 1.00 0.00 H new ATOM 0 HA VAL A 22 10.338 -17.206 21.349 1.00 0.00 H new ATOM 0 HB VAL A 22 8.226 -16.484 19.275 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.750 -17.979 20.559 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.138 -18.853 19.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.121 -18.433 21.598 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.964 -15.602 21.195 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.344 -15.958 22.261 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.508 -14.746 20.968 1.00 0.00 H new ATOM 351 N VAL A 23 10.492 -17.705 18.083 1.00 0.00 N ATOM 352 CA VAL A 23 10.882 -18.665 17.058 1.00 0.00 C ATOM 353 C VAL A 23 12.264 -19.243 17.343 1.00 0.00 C ATOM 354 O VAL A 23 12.446 -20.461 17.372 1.00 0.00 O ATOM 355 CB VAL A 23 10.885 -18.022 15.659 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.106 -19.078 14.586 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.586 -17.268 15.416 1.00 0.00 C ATOM 0 H VAL A 23 10.247 -16.782 17.725 1.00 0.00 H new ATOM 0 HA VAL A 23 10.145 -19.467 17.079 1.00 0.00 H new ATOM 0 HB VAL A 23 11.708 -17.309 15.608 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.105 -18.605 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.065 -19.569 14.751 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.307 -19.817 14.633 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.606 -16.820 14.423 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.746 -17.959 15.486 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.475 -16.484 16.165 1.00 0.00 H new ATOM 367 N LEU A 24 13.235 -18.362 17.555 1.00 0.00 N ATOM 368 CA LEU A 24 14.602 -18.783 17.839 1.00 0.00 C ATOM 369 C LEU A 24 14.691 -19.459 19.204 1.00 0.00 C ATOM 370 O LEU A 24 15.573 -20.285 19.443 1.00 0.00 O ATOM 371 CB LEU A 24 15.548 -17.582 17.790 1.00 0.00 C ATOM 372 CG LEU A 24 16.751 -17.713 16.856 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.703 -16.649 15.770 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.050 -17.617 17.642 1.00 0.00 C ATOM 0 H LEU A 24 13.101 -17.351 17.536 1.00 0.00 H new ATOM 0 HA LEU A 24 14.899 -19.503 17.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.974 -16.705 17.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.915 -17.393 18.799 1.00 0.00 H new ATOM 0 HG LEU A 24 16.710 -18.692 16.379 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.567 -16.758 15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.789 -16.765 15.187 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.718 -15.660 16.228 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.895 -17.712 16.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.099 -16.653 18.148 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.088 -18.417 18.381 1.00 0.00 H new ATOM 386 N TYR A 25 13.771 -19.105 20.095 1.00 0.00 N ATOM 387 CA TYR A 25 13.746 -19.677 21.435 1.00 0.00 C ATOM 388 C TYR A 25 13.322 -21.142 21.395 1.00 0.00 C ATOM 389 O TYR A 25 13.965 -22.004 21.995 1.00 0.00 O ATOM 390 CB TYR A 25 12.794 -18.884 22.333 1.00 0.00 C ATOM 391 CG TYR A 25 12.789 -19.350 23.771 1.00 0.00 C ATOM 392 CD1 TYR A 25 11.940 -20.367 24.189 1.00 0.00 C ATOM 393 CD2 TYR A 25 13.634 -18.774 24.712 1.00 0.00 C ATOM 394 CE1 TYR A 25 11.931 -20.796 25.503 1.00 0.00 C ATOM 395 CE2 TYR A 25 13.633 -19.197 26.027 1.00 0.00 C ATOM 396 CZ TYR A 25 12.779 -20.208 26.418 1.00 0.00 C ATOM 397 OH TYR A 25 12.775 -20.633 27.726 1.00 0.00 O ATOM 0 H TYR A 25 13.033 -18.425 19.913 1.00 0.00 H new ATOM 0 HA TYR A 25 14.754 -19.620 21.845 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.072 -17.831 22.302 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.783 -18.959 21.932 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.275 -20.831 23.475 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.303 -17.982 24.410 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.264 -21.587 25.811 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.297 -18.739 26.745 1.00 0.00 H new ATOM 0 HH TYR A 25 12.530 -21.581 27.761 1.00 0.00 H new ATOM 407 N HIS A 26 12.234 -21.417 20.682 1.00 0.00 N ATOM 408 CA HIS A 26 11.723 -22.778 20.560 1.00 0.00 C ATOM 409 C HIS A 26 12.704 -23.660 19.794 1.00 0.00 C ATOM 410 O HIS A 26 12.941 -24.810 20.165 1.00 0.00 O ATOM 411 CB HIS A 26 10.365 -22.775 19.857 1.00 0.00 C ATOM 412 CG HIS A 26 9.203 -22.837 20.800 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.065 -22.074 20.642 1.00 0.00 N ATOM 414 CD2 HIS A 26 9.006 -23.578 21.915 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.219 -22.343 21.621 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.766 -23.253 22.406 1.00 0.00 N ATOM 0 H HIS A 26 11.689 -20.716 20.180 1.00 0.00 H new ATOM 0 HA HIS A 26 11.603 -23.186 21.564 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.282 -21.874 19.249 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.316 -23.625 19.176 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.696 -24.292 22.340 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.246 -21.895 21.756 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.337 -23.650 23.242 1.00 0.00 H new ATOM 424 N TYR A 27 13.271 -23.115 18.723 1.00 0.00 N ATOM 425 CA TYR A 27 14.223 -23.853 17.903 1.00 0.00 C ATOM 426 C TYR A 27 15.469 -24.214 18.706 1.00 0.00 C ATOM 427 O TYR A 27 15.839 -25.384 18.809 1.00 0.00 O ATOM 428 CB TYR A 27 14.616 -23.030 16.674 1.00 0.00 C ATOM 429 CG TYR A 27 15.837 -23.559 15.957 1.00 0.00 C ATOM 430 CD1 TYR A 27 15.717 -24.501 14.942 1.00 0.00 C ATOM 431 CD2 TYR A 27 17.111 -23.117 16.294 1.00 0.00 C ATOM 432 CE1 TYR A 27 16.830 -24.987 14.284 1.00 0.00 C ATOM 433 CE2 TYR A 27 18.229 -23.597 15.640 1.00 0.00 C ATOM 434 CZ TYR A 27 18.084 -24.532 14.636 1.00 0.00 C ATOM 435 OH TYR A 27 19.195 -25.013 13.983 1.00 0.00 O ATOM 0 H TYR A 27 13.087 -22.164 18.403 1.00 0.00 H new ATOM 0 HA TYR A 27 13.743 -24.776 17.576 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.777 -23.008 15.978 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.802 -22.001 16.981 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.737 -24.859 14.663 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.229 -22.386 17.080 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.719 -25.719 13.498 1.00 0.00 H new ATOM 0 HE2 TYR A 27 19.212 -23.242 15.913 1.00 0.00 H new ATOM 0 HH TYR A 27 19.999 -24.590 14.350 1.00 0.00 H new ATOM 445 N VAL A 28 16.113 -23.200 19.275 1.00 0.00 N ATOM 446 CA VAL A 28 17.316 -23.409 20.071 1.00 0.00 C ATOM 447 C VAL A 28 17.028 -24.287 21.283 1.00 0.00 C ATOM 448 O VAL A 28 17.844 -25.127 21.662 1.00 0.00 O ATOM 449 CB VAL A 28 17.911 -22.071 20.551 1.00 0.00 C ATOM 450 CG1 VAL A 28 19.097 -22.313 21.471 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.315 -21.212 19.362 1.00 0.00 C ATOM 0 H VAL A 28 15.821 -22.225 19.199 1.00 0.00 H new ATOM 0 HA VAL A 28 18.038 -23.910 19.426 1.00 0.00 H new ATOM 0 HB VAL A 28 17.148 -21.535 21.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.504 -21.357 21.800 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.773 -22.887 22.339 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.866 -22.869 20.935 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.733 -20.271 19.719 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.062 -21.740 18.769 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.439 -21.009 18.745 1.00 0.00 H new ATOM 461 N ALA A 29 15.861 -24.088 21.888 1.00 0.00 N ATOM 462 CA ALA A 29 15.463 -24.864 23.056 1.00 0.00 C ATOM 463 C ALA A 29 15.277 -26.335 22.700 1.00 0.00 C ATOM 464 O ALA A 29 15.555 -27.220 23.510 1.00 0.00 O ATOM 465 CB ALA A 29 14.185 -24.298 23.655 1.00 0.00 C ATOM 0 H ALA A 29 15.175 -23.396 21.588 1.00 0.00 H new ATOM 0 HA ALA A 29 16.260 -24.795 23.797 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.900 -24.887 24.526 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.351 -23.263 23.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.387 -24.337 22.913 1.00 0.00 H new ATOM 471 N VAL A 30 14.804 -26.590 21.484 1.00 0.00 N ATOM 472 CA VAL A 30 14.581 -27.954 21.021 1.00 0.00 C ATOM 473 C VAL A 30 15.849 -28.543 20.415 1.00 0.00 C ATOM 474 O VAL A 30 16.008 -29.761 20.344 1.00 0.00 O ATOM 475 CB VAL A 30 13.449 -28.015 19.978 1.00 0.00 C ATOM 476 CG1 VAL A 30 13.309 -29.424 19.423 1.00 0.00 C ATOM 477 CG2 VAL A 30 12.139 -27.539 20.586 1.00 0.00 C ATOM 0 H VAL A 30 14.568 -25.869 20.802 1.00 0.00 H new ATOM 0 HA VAL A 30 14.293 -28.541 21.893 1.00 0.00 H new ATOM 0 HB VAL A 30 13.703 -27.350 19.153 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.505 -29.447 18.688 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.243 -29.722 18.948 1.00 0.00 H new ATOM 0 HG13 VAL A 30 13.079 -30.114 20.235 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.350 -27.589 19.835 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.877 -28.176 21.430 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.250 -26.510 20.929 1.00 0.00 H new ATOM 487 N ASN A 31 16.750 -27.669 19.978 1.00 0.00 N ATOM 488 CA ASN A 31 18.006 -28.103 19.376 1.00 0.00 C ATOM 489 C ASN A 31 19.101 -28.226 20.432 1.00 0.00 C ATOM 490 O ASN A 31 20.099 -28.915 20.227 1.00 0.00 O ATOM 491 CB ASN A 31 18.441 -27.119 18.287 1.00 0.00 C ATOM 492 CG ASN A 31 18.232 -27.673 16.891 1.00 0.00 C ATOM 493 OD1 ASN A 31 17.132 -27.284 16.259 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 19.052 -28.442 16.388 1.00 0.00 N flip ATOM 0 H ASN A 31 16.634 -26.657 20.029 1.00 0.00 H new ATOM 0 HA ASN A 31 17.846 -29.083 18.928 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.880 -26.191 18.394 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.494 -26.872 18.423 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.884 -28.714 16.912 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.899 -28.807 15.448 1.00 0.00 H new ATOM 501 N ASN A 32 18.905 -27.554 21.561 1.00 0.00 N ATOM 502 CA ASN A 32 19.875 -27.588 22.649 1.00 0.00 C ATOM 503 C ASN A 32 19.320 -28.349 23.849 1.00 0.00 C ATOM 504 O ASN A 32 18.224 -28.074 24.337 1.00 0.00 O ATOM 505 CB ASN A 32 20.257 -26.166 23.065 1.00 0.00 C ATOM 506 CG ASN A 32 21.056 -25.446 21.997 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.447 -25.251 20.833 1.00 0.00 O flip ATOM 508 ND2 ASN A 32 22.208 -25.069 22.215 1.00 0.00 N flip ATOM 0 H ASN A 32 18.083 -26.979 21.747 1.00 0.00 H new ATOM 0 HA ASN A 32 20.765 -28.106 22.292 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.352 -25.599 23.282 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.838 -26.204 23.986 1.00 0.00 H new ATOM 0 HD21 ASN A 32 22.637 -25.240 23.124 1.00 0.00 H new ATOM 0 HD22 ASN A 32 22.733 -24.586 21.486 1.00 0.00 H new ATOM 515 N PRO A 33 20.094 -29.330 24.338 1.00 0.00 N ATOM 516 CA PRO A 33 19.701 -30.150 25.487 1.00 0.00 C ATOM 517 C PRO A 33 19.708 -29.361 26.792 1.00 0.00 C ATOM 518 O PRO A 33 19.127 -29.787 27.790 1.00 0.00 O ATOM 519 CB PRO A 33 20.767 -31.248 25.520 1.00 0.00 C ATOM 520 CG PRO A 33 21.955 -30.643 24.855 1.00 0.00 C ATOM 521 CD PRO A 33 21.413 -29.713 23.806 1.00 0.00 C ATOM 0 HA PRO A 33 18.683 -30.528 25.389 1.00 0.00 H new ATOM 0 HB2 PRO A 33 20.996 -31.547 26.543 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.431 -32.142 24.994 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.572 -30.104 25.574 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.585 -31.411 24.407 1.00 0.00 H new ATOM 0 HD2 PRO A 33 22.058 -28.845 23.667 1.00 0.00 H new ATOM 0 HD3 PRO A 33 21.328 -30.206 22.837 1.00 0.00 H new ATOM 529 N LYS A 34 20.370 -28.209 26.778 1.00 0.00 N ATOM 530 CA LYS A 34 20.452 -27.358 27.959 1.00 0.00 C ATOM 531 C LYS A 34 19.882 -25.973 27.673 1.00 0.00 C ATOM 532 O LYS A 34 20.586 -24.968 27.770 1.00 0.00 O ATOM 533 CB LYS A 34 21.904 -27.238 28.426 1.00 0.00 C ATOM 534 CG LYS A 34 22.434 -28.493 29.096 1.00 0.00 C ATOM 535 CD LYS A 34 22.767 -29.571 28.078 1.00 0.00 C ATOM 536 CE LYS A 34 23.740 -30.593 28.646 1.00 0.00 C ATOM 537 NZ LYS A 34 23.121 -31.942 28.763 1.00 0.00 N ATOM 0 H LYS A 34 20.858 -27.843 25.961 1.00 0.00 H new ATOM 0 HA LYS A 34 19.859 -27.818 28.750 1.00 0.00 H new ATOM 0 HB2 LYS A 34 22.534 -27.001 27.569 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.985 -26.403 29.122 1.00 0.00 H new ATOM 0 HG2 LYS A 34 23.326 -28.249 29.674 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.692 -28.872 29.799 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.851 -30.073 27.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.198 -29.112 27.188 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.620 -30.652 28.006 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.081 -30.263 29.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.816 -32.610 29.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 22.296 -31.892 29.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 22.818 -32.268 27.823 1.00 0.00 H new ATOM 551 N LYS A 35 18.601 -25.926 27.320 1.00 0.00 N ATOM 552 CA LYS A 35 17.935 -24.664 27.022 1.00 0.00 C ATOM 553 C LYS A 35 18.237 -23.623 28.096 1.00 0.00 C ATOM 554 O LYS A 35 18.680 -23.960 29.193 1.00 0.00 O ATOM 555 CB LYS A 35 16.423 -24.875 26.912 1.00 0.00 C ATOM 556 CG LYS A 35 16.038 -26.098 26.099 1.00 0.00 C ATOM 557 CD LYS A 35 15.613 -27.251 26.993 1.00 0.00 C ATOM 558 CE LYS A 35 14.120 -27.520 26.884 1.00 0.00 C ATOM 559 NZ LYS A 35 13.676 -28.575 27.837 1.00 0.00 N ATOM 0 H LYS A 35 18.004 -26.748 27.233 1.00 0.00 H new ATOM 0 HA LYS A 35 18.315 -24.298 26.068 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.004 -24.968 27.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.973 -23.991 26.459 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.224 -25.843 25.420 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.882 -26.407 25.482 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.167 -28.149 26.718 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.868 -27.023 28.028 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.570 -26.599 27.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.879 -27.826 25.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.653 -28.729 27.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.182 -29.461 27.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.882 -28.273 28.810 1.00 0.00 H new ATOM 573 N GLN A 36 17.992 -22.357 27.771 1.00 0.00 N ATOM 574 CA GLN A 36 18.237 -21.268 28.709 1.00 0.00 C ATOM 575 C GLN A 36 17.411 -21.446 29.978 1.00 0.00 C ATOM 576 O GLN A 36 16.512 -22.284 30.032 1.00 0.00 O ATOM 577 CB GLN A 36 17.910 -19.923 28.058 1.00 0.00 C ATOM 578 CG GLN A 36 16.419 -19.654 27.933 1.00 0.00 C ATOM 579 CD GLN A 36 15.855 -18.925 29.137 1.00 0.00 C ATOM 580 OE1 GLN A 36 16.521 -18.077 29.732 1.00 0.00 O ATOM 581 NE2 GLN A 36 14.621 -19.252 29.503 1.00 0.00 N ATOM 0 H GLN A 36 17.625 -22.061 26.867 1.00 0.00 H new ATOM 0 HA GLN A 36 19.293 -21.286 28.979 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.367 -19.125 28.643 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.361 -19.890 27.066 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.234 -19.063 27.036 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.892 -20.600 27.806 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.105 -19.960 28.981 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.189 -18.795 30.306 1.00 0.00 H new ATOM 590 N GLU A 37 17.724 -20.652 30.998 1.00 0.00 N ATOM 591 CA GLU A 37 17.010 -20.724 32.268 1.00 0.00 C ATOM 592 C GLU A 37 17.397 -19.560 33.176 1.00 0.00 C ATOM 593 O GLU A 37 16.618 -19.144 34.033 1.00 0.00 O ATOM 594 CB GLU A 37 17.305 -22.051 32.969 1.00 0.00 C ATOM 595 CG GLU A 37 16.059 -22.773 33.454 1.00 0.00 C ATOM 596 CD GLU A 37 15.650 -23.911 32.538 1.00 0.00 C ATOM 597 OE1 GLU A 37 16.474 -24.823 32.319 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.504 -23.888 32.041 1.00 0.00 O ATOM 0 H GLU A 37 18.466 -19.953 30.970 1.00 0.00 H new ATOM 0 HA GLU A 37 15.942 -20.661 32.060 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.848 -22.702 32.283 1.00 0.00 H new ATOM 0 HB3 GLU A 37 17.961 -21.865 33.819 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.237 -23.164 34.456 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.238 -22.061 33.531 1.00 0.00 H new TER 605 GLU A 37