USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.77 (180deg=0.765) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.177) USER MOD Single : A 7 THR OG1 : rot -66:sc= 0.962 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.0987 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -2.78! C(o=-3.5!,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= 0.136 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.103 (180deg=-0.833) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.19 F(o=-6.3!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc=-0.00151 (180deg=-0.31) USER MOD Single : A 40 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 41 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.568 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0353 (180deg=-0.324) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 68 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.273 26.640 0.635 1.00 0.00 N ATOM 2 CA MET A 1 30.043 26.979 1.403 1.00 0.00 C ATOM 3 C MET A 1 30.298 28.225 2.244 1.00 0.00 C ATOM 4 O MET A 1 31.421 28.730 2.302 1.00 0.00 O ATOM 5 CB MET A 1 29.663 25.799 2.304 1.00 0.00 C ATOM 6 CG MET A 1 28.344 26.093 3.030 1.00 0.00 C ATOM 7 SD MET A 1 27.557 24.533 3.499 1.00 0.00 S ATOM 8 CE MET A 1 28.472 24.273 5.039 1.00 0.00 C ATOM 0 H1 MET A 1 31.090 25.810 0.035 1.00 0.00 H new ATOM 0 H2 MET A 1 31.542 27.447 0.037 1.00 0.00 H new ATOM 0 H3 MET A 1 32.047 26.425 1.296 1.00 0.00 H new ATOM 0 HA MET A 1 29.221 27.178 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.564 24.893 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.454 25.617 3.031 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.531 26.700 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.681 26.668 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.140 23.346 5.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.538 24.209 4.822 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.289 25.107 5.716 1.00 0.00 H new ATOM 20 N GLN A 2 29.246 28.718 2.899 1.00 0.00 N ATOM 21 CA GLN A 2 29.358 29.908 3.739 1.00 0.00 C ATOM 22 C GLN A 2 28.456 29.791 4.965 1.00 0.00 C ATOM 23 O GLN A 2 27.384 29.191 4.908 1.00 0.00 O ATOM 24 CB GLN A 2 28.963 31.145 2.928 1.00 0.00 C ATOM 25 CG GLN A 2 27.518 30.999 2.445 1.00 0.00 C ATOM 26 CD GLN A 2 27.163 32.149 1.506 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.620 32.182 0.363 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.371 33.098 1.923 1.00 0.00 N ATOM 0 H GLN A 2 28.311 28.313 2.864 1.00 0.00 H new ATOM 0 HA GLN A 2 30.391 30.001 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.064 32.042 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.632 31.263 2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.392 30.046 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.840 30.992 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.994 33.068 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.129 33.870 1.302 1.00 0.00 H new ATOM 37 N ILE A 3 28.908 30.377 6.074 1.00 0.00 N ATOM 38 CA ILE A 3 28.148 30.346 7.321 1.00 0.00 C ATOM 39 C ILE A 3 28.249 31.682 8.049 1.00 0.00 C ATOM 40 O ILE A 3 29.278 32.355 7.996 1.00 0.00 O ATOM 41 CB ILE A 3 28.666 29.230 8.227 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.145 29.467 8.565 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.525 27.882 7.518 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.612 28.420 9.575 1.00 0.00 C ATOM 0 H ILE A 3 29.795 30.878 6.133 1.00 0.00 H new ATOM 0 HA ILE A 3 27.103 30.157 7.076 1.00 0.00 H new ATOM 0 HB ILE A 3 28.081 29.226 9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.749 29.409 7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.279 30.468 8.975 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.896 27.089 8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.475 27.701 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.103 27.894 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.662 28.589 9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.015 28.499 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.493 27.424 9.148 1.00 0.00 H new ATOM 56 N PHE A 4 27.165 32.065 8.715 1.00 0.00 N ATOM 57 CA PHE A 4 27.118 33.336 9.444 1.00 0.00 C ATOM 58 C PHE A 4 27.442 33.123 10.915 1.00 0.00 C ATOM 59 O PHE A 4 26.823 32.284 11.566 1.00 0.00 O ATOM 60 CB PHE A 4 25.719 33.944 9.319 1.00 0.00 C ATOM 61 CG PHE A 4 25.500 34.446 7.912 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.029 33.574 6.924 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.758 35.786 7.598 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.817 34.040 5.620 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.548 36.252 6.294 1.00 0.00 C ATOM 66 CZ PHE A 4 25.076 35.380 5.306 1.00 0.00 C ATOM 0 H PHE A 4 26.306 31.517 8.768 1.00 0.00 H new ATOM 0 HA PHE A 4 27.858 34.011 9.015 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.965 33.198 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.604 34.763 10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.829 32.541 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.119 36.460 8.361 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.454 33.367 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.750 37.285 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.912 35.741 4.301 1.00 0.00 H new ATOM 76 N VAL A 5 28.398 33.894 11.448 1.00 0.00 N ATOM 77 CA VAL A 5 28.771 33.781 12.859 1.00 0.00 C ATOM 78 C VAL A 5 28.303 35.008 13.621 1.00 0.00 C ATOM 79 O VAL A 5 28.799 36.118 13.420 1.00 0.00 O ATOM 80 CB VAL A 5 30.289 33.623 12.993 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.707 33.813 14.459 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.670 32.212 12.553 1.00 0.00 C ATOM 0 H VAL A 5 28.922 34.597 10.927 1.00 0.00 H new ATOM 0 HA VAL A 5 28.289 32.899 13.281 1.00 0.00 H new ATOM 0 HB VAL A 5 30.790 34.368 12.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.787 33.699 14.547 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.419 34.810 14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.212 33.065 15.078 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.749 32.082 12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.163 31.484 13.186 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.371 32.061 11.516 1.00 0.00 H new ATOM 92 N LYS A 6 27.341 34.787 14.490 1.00 0.00 N ATOM 93 CA LYS A 6 26.776 35.860 15.297 1.00 0.00 C ATOM 94 C LYS A 6 27.535 36.005 16.618 1.00 0.00 C ATOM 95 O LYS A 6 27.386 35.183 17.521 1.00 0.00 O ATOM 96 CB LYS A 6 25.307 35.528 15.564 1.00 0.00 C ATOM 97 CG LYS A 6 24.511 36.794 15.870 1.00 0.00 C ATOM 98 CD LYS A 6 23.035 36.413 16.004 1.00 0.00 C ATOM 99 CE LYS A 6 22.228 37.603 16.521 1.00 0.00 C ATOM 100 NZ LYS A 6 22.251 38.694 15.510 1.00 0.00 N ATOM 0 H LYS A 6 26.928 33.870 14.660 1.00 0.00 H new ATOM 0 HA LYS A 6 26.860 36.807 14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.880 35.025 14.696 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.233 34.835 16.402 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.869 37.255 16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.643 37.527 15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.645 36.092 15.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.930 35.569 16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.200 37.300 16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.645 37.957 17.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.582 39.440 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.210 39.093 15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.977 38.313 14.582 1.00 0.00 H new ATOM 114 N THR A 7 28.350 37.053 16.720 1.00 0.00 N ATOM 115 CA THR A 7 29.127 37.291 17.936 1.00 0.00 C ATOM 116 C THR A 7 28.218 37.789 19.057 1.00 0.00 C ATOM 117 O THR A 7 27.096 38.226 18.807 1.00 0.00 O ATOM 118 CB THR A 7 30.234 38.315 17.665 1.00 0.00 C ATOM 119 OG1 THR A 7 29.654 39.594 17.450 1.00 0.00 O ATOM 120 CG2 THR A 7 31.040 37.898 16.425 1.00 0.00 C ATOM 0 H THR A 7 28.489 37.745 15.984 1.00 0.00 H new ATOM 0 HA THR A 7 29.584 36.351 18.246 1.00 0.00 H new ATOM 0 HB THR A 7 30.902 38.358 18.526 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.129 39.580 16.623 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.825 38.631 16.238 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.489 36.920 16.595 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.378 37.848 15.561 1.00 0.00 H new ATOM 128 N LEU A 8 28.702 37.737 20.295 1.00 0.00 N ATOM 129 CA LEU A 8 27.900 38.190 21.427 1.00 0.00 C ATOM 130 C LEU A 8 27.803 39.712 21.464 1.00 0.00 C ATOM 131 O LEU A 8 26.862 40.266 22.031 1.00 0.00 O ATOM 132 CB LEU A 8 28.514 37.687 22.740 1.00 0.00 C ATOM 133 CG LEU A 8 28.582 36.148 22.733 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.428 35.657 23.914 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.167 35.557 22.845 1.00 0.00 C ATOM 0 H LEU A 8 29.631 37.392 20.538 1.00 0.00 H new ATOM 0 HA LEU A 8 26.896 37.783 21.309 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.513 38.103 22.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.917 38.029 23.585 1.00 0.00 H new ATOM 0 HG LEU A 8 29.038 35.823 21.798 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.472 34.568 23.902 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.437 36.061 23.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.978 35.992 24.848 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.226 34.469 22.839 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.706 35.891 23.775 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.565 35.892 22.001 1.00 0.00 H new ATOM 147 N THR A 9 28.776 40.387 20.862 1.00 0.00 N ATOM 148 CA THR A 9 28.771 41.844 20.847 1.00 0.00 C ATOM 149 C THR A 9 27.686 42.369 19.915 1.00 0.00 C ATOM 150 O THR A 9 27.434 43.573 19.859 1.00 0.00 O ATOM 151 CB THR A 9 30.135 42.375 20.396 1.00 0.00 C ATOM 152 OG1 THR A 9 31.133 41.949 21.312 1.00 0.00 O ATOM 153 CG2 THR A 9 30.104 43.907 20.349 1.00 0.00 C ATOM 0 H THR A 9 29.567 39.956 20.384 1.00 0.00 H new ATOM 0 HA THR A 9 28.566 42.193 21.859 1.00 0.00 H new ATOM 0 HB THR A 9 30.362 41.989 19.402 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.007 42.286 21.024 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.076 44.281 20.028 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.339 44.234 19.645 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.875 44.297 21.341 1.00 0.00 H new ATOM 161 N GLY A 10 27.044 41.460 19.182 1.00 0.00 N ATOM 162 CA GLY A 10 25.987 41.851 18.254 1.00 0.00 C ATOM 163 C GLY A 10 26.552 42.095 16.861 1.00 0.00 C ATOM 164 O GLY A 10 25.855 42.594 15.978 1.00 0.00 O ATOM 0 H GLY A 10 27.235 40.459 19.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.227 41.070 18.211 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.496 42.754 18.615 1.00 0.00 H new ATOM 168 N LYS A 11 27.811 41.715 16.659 1.00 0.00 N ATOM 169 CA LYS A 11 28.450 41.869 15.355 1.00 0.00 C ATOM 170 C LYS A 11 28.259 40.601 14.541 1.00 0.00 C ATOM 171 O LYS A 11 28.229 39.502 15.094 1.00 0.00 O ATOM 172 CB LYS A 11 29.944 42.157 15.523 1.00 0.00 C ATOM 173 CG LYS A 11 30.136 43.491 16.266 1.00 0.00 C ATOM 174 CD LYS A 11 30.058 44.658 15.276 1.00 0.00 C ATOM 175 CE LYS A 11 30.369 45.966 16.001 1.00 0.00 C ATOM 176 NZ LYS A 11 30.180 47.106 15.061 1.00 0.00 N ATOM 0 H LYS A 11 28.406 41.301 17.377 1.00 0.00 H new ATOM 0 HA LYS A 11 27.989 42.708 14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.420 41.349 16.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.428 42.201 14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.370 43.603 17.034 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.100 43.498 16.774 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.766 44.505 14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.064 44.705 14.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.715 46.080 16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.393 45.954 16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.391 47.999 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.821 46.997 14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.196 47.120 14.725 1.00 0.00 H new ATOM 190 N THR A 12 28.131 40.753 13.229 1.00 0.00 N ATOM 191 CA THR A 12 27.941 39.605 12.344 1.00 0.00 C ATOM 192 C THR A 12 29.095 39.494 11.354 1.00 0.00 C ATOM 193 O THR A 12 29.364 40.426 10.598 1.00 0.00 O ATOM 194 CB THR A 12 26.633 39.766 11.568 1.00 0.00 C ATOM 195 OG1 THR A 12 25.541 39.737 12.476 1.00 0.00 O ATOM 196 CG2 THR A 12 26.487 38.624 10.553 1.00 0.00 C ATOM 0 H THR A 12 28.155 41.655 12.753 1.00 0.00 H new ATOM 0 HA THR A 12 27.906 38.702 12.953 1.00 0.00 H new ATOM 0 HB THR A 12 26.642 40.718 11.037 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.701 39.842 11.981 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.554 38.743 10.003 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.325 38.647 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.479 37.669 11.078 1.00 0.00 H new ATOM 204 N ILE A 13 29.771 38.346 11.353 1.00 0.00 N ATOM 205 CA ILE A 13 30.891 38.121 10.434 1.00 0.00 C ATOM 206 C ILE A 13 30.726 36.773 9.747 1.00 0.00 C ATOM 207 O ILE A 13 30.515 35.751 10.398 1.00 0.00 O ATOM 208 CB ILE A 13 32.216 38.146 11.196 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.388 38.047 10.204 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.259 36.965 12.167 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.708 38.005 10.973 1.00 0.00 C ATOM 0 H ILE A 13 29.567 37.562 11.972 1.00 0.00 H new ATOM 0 HA ILE A 13 30.897 38.915 9.687 1.00 0.00 H new ATOM 0 HB ILE A 13 32.300 39.079 11.752 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.284 37.152 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.377 38.901 9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.202 36.977 12.714 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.430 37.042 12.871 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.175 36.032 11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.537 37.935 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.812 38.913 11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.718 37.137 11.632 1.00 0.00 H new ATOM 223 N THR A 14 30.793 36.787 8.426 1.00 0.00 N ATOM 224 CA THR A 14 30.621 35.568 7.641 1.00 0.00 C ATOM 225 C THR A 14 31.926 34.784 7.539 1.00 0.00 C ATOM 226 O THR A 14 33.018 35.355 7.521 1.00 0.00 O ATOM 227 CB THR A 14 30.107 35.920 6.239 1.00 0.00 C ATOM 228 OG1 THR A 14 28.893 36.649 6.360 1.00 0.00 O ATOM 229 CG2 THR A 14 29.849 34.637 5.439 1.00 0.00 C ATOM 0 H THR A 14 30.965 37.626 7.872 1.00 0.00 H new ATOM 0 HA THR A 14 29.891 34.938 8.148 1.00 0.00 H new ATOM 0 HB THR A 14 30.854 36.521 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.140 36.024 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.484 34.895 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.776 34.071 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.103 34.031 5.953 1.00 0.00 H new ATOM 237 N LEU A 15 31.784 33.462 7.492 1.00 0.00 N ATOM 238 CA LEU A 15 32.921 32.546 7.411 1.00 0.00 C ATOM 239 C LEU A 15 32.806 31.657 6.168 1.00 0.00 C ATOM 240 O LEU A 15 31.765 31.050 5.921 1.00 0.00 O ATOM 241 CB LEU A 15 32.934 31.667 8.689 1.00 0.00 C ATOM 242 CG LEU A 15 34.337 31.606 9.314 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.619 32.903 10.081 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.406 30.419 10.282 1.00 0.00 C ATOM 0 H LEU A 15 30.878 32.994 7.509 1.00 0.00 H new ATOM 0 HA LEU A 15 33.847 33.117 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.228 32.068 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.600 30.659 8.443 1.00 0.00 H new ATOM 0 HG LEU A 15 35.080 31.485 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.614 32.856 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.566 33.750 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.878 33.027 10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.399 30.371 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.661 30.546 11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.207 29.495 9.739 1.00 0.00 H new ATOM 256 N GLU A 16 33.896 31.559 5.419 1.00 0.00 N ATOM 257 CA GLU A 16 33.926 30.705 4.228 1.00 0.00 C ATOM 258 C GLU A 16 34.590 29.383 4.590 1.00 0.00 C ATOM 259 O GLU A 16 35.711 29.370 5.101 1.00 0.00 O ATOM 260 CB GLU A 16 34.706 31.383 3.099 1.00 0.00 C ATOM 261 CG GLU A 16 34.768 30.446 1.889 1.00 0.00 C ATOM 262 CD GLU A 16 35.267 31.208 0.667 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.113 32.418 0.644 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.799 30.571 -0.227 1.00 0.00 O ATOM 0 H GLU A 16 34.767 32.054 5.609 1.00 0.00 H new ATOM 0 HA GLU A 16 32.907 30.531 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.225 32.321 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.714 31.629 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.431 29.607 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.781 30.029 1.690 1.00 0.00 H new ATOM 271 N VAL A 17 33.904 28.271 4.329 1.00 0.00 N ATOM 272 CA VAL A 17 34.462 26.952 4.647 1.00 0.00 C ATOM 273 C VAL A 17 33.854 25.877 3.750 1.00 0.00 C ATOM 274 O VAL A 17 32.955 26.135 2.954 1.00 0.00 O ATOM 275 CB VAL A 17 34.213 26.616 6.132 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.711 26.581 6.437 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.818 25.260 6.506 1.00 0.00 C ATOM 0 H VAL A 17 32.976 28.253 3.905 1.00 0.00 H new ATOM 0 HA VAL A 17 35.537 26.978 4.466 1.00 0.00 H new ATOM 0 HB VAL A 17 34.692 27.398 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.559 26.342 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.273 27.555 6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.232 25.821 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.625 25.053 7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.367 24.479 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.894 25.281 6.332 1.00 0.00 H new ATOM 287 N GLU A 18 34.350 24.669 3.922 1.00 0.00 N ATOM 288 CA GLU A 18 33.867 23.504 3.169 1.00 0.00 C ATOM 289 C GLU A 18 32.881 22.714 4.039 1.00 0.00 C ATOM 290 O GLU A 18 33.094 22.593 5.244 1.00 0.00 O ATOM 291 CB GLU A 18 35.041 22.607 2.776 1.00 0.00 C ATOM 292 CG GLU A 18 36.034 23.410 1.933 1.00 0.00 C ATOM 293 CD GLU A 18 35.392 23.807 0.609 1.00 0.00 C ATOM 294 OE1 GLU A 18 34.783 24.864 0.562 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.519 23.051 -0.339 1.00 0.00 O ATOM 0 H GLU A 18 35.097 24.456 4.583 1.00 0.00 H new ATOM 0 HA GLU A 18 33.367 23.844 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.533 22.222 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.682 21.746 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.347 24.301 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.930 22.817 1.749 1.00 0.00 H new ATOM 302 N PRO A 19 31.814 22.184 3.487 1.00 0.00 N ATOM 303 CA PRO A 19 30.814 21.424 4.295 1.00 0.00 C ATOM 304 C PRO A 19 31.383 20.111 4.837 1.00 0.00 C ATOM 305 O PRO A 19 30.778 19.471 5.699 1.00 0.00 O ATOM 306 CB PRO A 19 29.657 21.179 3.314 1.00 0.00 C ATOM 307 CG PRO A 19 30.284 21.233 1.956 1.00 0.00 C ATOM 308 CD PRO A 19 31.442 22.228 2.061 1.00 0.00 C ATOM 0 HA PRO A 19 30.503 21.972 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.185 20.213 3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.881 21.937 3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.642 20.249 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.561 21.554 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.276 21.940 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.138 23.230 1.757 1.00 0.00 H new ATOM 316 N SER A 20 32.546 19.718 4.328 1.00 0.00 N ATOM 317 CA SER A 20 33.190 18.482 4.769 1.00 0.00 C ATOM 318 C SER A 20 34.132 18.768 5.931 1.00 0.00 C ATOM 319 O SER A 20 34.413 17.886 6.746 1.00 0.00 O ATOM 320 CB SER A 20 33.956 17.853 3.606 1.00 0.00 C ATOM 321 OG SER A 20 34.978 18.743 3.179 1.00 0.00 O ATOM 0 H SER A 20 33.061 20.233 3.614 1.00 0.00 H new ATOM 0 HA SER A 20 32.425 17.782 5.106 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.391 16.903 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.276 17.639 2.781 1.00 0.00 H new ATOM 0 HG SER A 20 35.472 18.341 2.434 1.00 0.00 H new ATOM 327 N ASP A 21 34.650 19.995 5.988 1.00 0.00 N ATOM 328 CA ASP A 21 35.573 20.375 7.041 1.00 0.00 C ATOM 329 C ASP A 21 34.985 20.035 8.404 1.00 0.00 C ATOM 330 O ASP A 21 33.760 20.041 8.589 1.00 0.00 O ATOM 331 CB ASP A 21 35.833 21.883 6.953 1.00 0.00 C ATOM 332 CG ASP A 21 36.882 22.185 5.886 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.247 21.270 5.167 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.309 23.326 5.808 1.00 0.00 O ATOM 0 H ASP A 21 34.443 20.735 5.317 1.00 0.00 H new ATOM 0 HA ASP A 21 36.508 19.828 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.905 22.404 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.171 22.256 7.920 1.00 0.00 H new ATOM 339 N THR A 22 35.863 19.735 9.353 1.00 0.00 N ATOM 340 CA THR A 22 35.427 19.398 10.700 1.00 0.00 C ATOM 341 C THR A 22 35.168 20.667 11.507 1.00 0.00 C ATOM 342 O THR A 22 35.363 21.788 11.020 1.00 0.00 O ATOM 343 CB THR A 22 36.483 18.541 11.401 1.00 0.00 C ATOM 344 OG1 THR A 22 37.649 19.318 11.622 1.00 0.00 O ATOM 345 CG2 THR A 22 36.824 17.333 10.527 1.00 0.00 C ATOM 0 H THR A 22 36.874 19.718 9.216 1.00 0.00 H new ATOM 0 HA THR A 22 34.500 18.829 10.631 1.00 0.00 H new ATOM 0 HB THR A 22 36.094 18.193 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.326 18.771 12.073 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.576 16.723 11.027 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.926 16.738 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.213 17.676 9.568 1.00 0.00 H new ATOM 353 N ILE A 23 34.757 20.490 12.751 1.00 0.00 N ATOM 354 CA ILE A 23 34.508 21.639 13.610 1.00 0.00 C ATOM 355 C ILE A 23 35.835 22.270 14.021 1.00 0.00 C ATOM 356 O ILE A 23 36.009 23.485 13.933 1.00 0.00 O ATOM 357 CB ILE A 23 33.710 21.218 14.847 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.581 20.266 14.433 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.102 22.451 15.520 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.806 20.850 13.244 1.00 0.00 C ATOM 0 H ILE A 23 34.591 19.582 13.184 1.00 0.00 H new ATOM 0 HA ILE A 23 33.921 22.374 13.059 1.00 0.00 H new ATOM 0 HB ILE A 23 34.379 20.715 15.545 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.995 19.294 14.165 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.905 20.104 15.273 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.536 22.144 16.399 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.899 23.131 15.821 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.438 22.957 14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.007 20.166 12.959 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.377 21.811 13.526 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.483 20.989 12.401 1.00 0.00 H new ATOM 372 N GLU A 24 36.780 21.436 14.450 1.00 0.00 N ATOM 373 CA GLU A 24 38.094 21.933 14.849 1.00 0.00 C ATOM 374 C GLU A 24 38.597 22.948 13.828 1.00 0.00 C ATOM 375 O GLU A 24 39.371 23.846 14.152 1.00 0.00 O ATOM 376 CB GLU A 24 39.090 20.777 14.951 1.00 0.00 C ATOM 377 CG GLU A 24 38.450 19.607 15.700 1.00 0.00 C ATOM 378 CD GLU A 24 37.889 20.084 17.035 1.00 0.00 C ATOM 379 OE1 GLU A 24 38.622 20.050 18.010 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.735 20.480 17.063 1.00 0.00 O ATOM 0 H GLU A 24 36.663 20.426 14.530 1.00 0.00 H new ATOM 0 HA GLU A 24 38.003 22.412 15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.396 20.459 13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.990 21.105 15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.654 19.171 15.097 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.189 18.823 15.866 1.00 0.00 H new ATOM 387 N ASN A 25 38.117 22.809 12.598 1.00 0.00 N ATOM 388 CA ASN A 25 38.500 23.731 11.539 1.00 0.00 C ATOM 389 C ASN A 25 37.785 25.058 11.740 1.00 0.00 C ATOM 390 O ASN A 25 38.420 26.090 11.955 1.00 0.00 O ATOM 391 CB ASN A 25 38.144 23.159 10.166 1.00 0.00 C ATOM 392 CG ASN A 25 38.802 23.994 9.070 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.201 24.135 7.920 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.892 24.533 9.269 1.00 0.00 N flip ATOM 0 H ASN A 25 37.469 22.075 12.312 1.00 0.00 H new ATOM 0 HA ASN A 25 39.579 23.882 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.477 22.123 10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.062 23.156 10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.360 24.421 10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.327 25.091 8.534 1.00 0.00 H new ATOM 401 N VAL A 26 36.457 25.024 11.666 1.00 0.00 N ATOM 402 CA VAL A 26 35.666 26.241 11.846 1.00 0.00 C ATOM 403 C VAL A 26 36.153 27.016 13.059 1.00 0.00 C ATOM 404 O VAL A 26 36.055 28.247 13.118 1.00 0.00 O ATOM 405 CB VAL A 26 34.196 25.875 12.028 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.360 27.145 12.198 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.728 25.118 10.798 1.00 0.00 C ATOM 0 H VAL A 26 35.911 24.181 11.486 1.00 0.00 H new ATOM 0 HA VAL A 26 35.780 26.867 10.961 1.00 0.00 H new ATOM 0 HB VAL A 26 34.078 25.255 12.916 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.312 26.876 12.327 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.705 27.693 13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.467 27.772 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.678 24.849 10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.846 25.748 9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.323 24.213 10.680 1.00 0.00 H new ATOM 417 N LYS A 27 36.700 26.284 14.014 1.00 0.00 N ATOM 418 CA LYS A 27 37.225 26.894 15.222 1.00 0.00 C ATOM 419 C LYS A 27 38.530 27.596 14.905 1.00 0.00 C ATOM 420 O LYS A 27 38.722 28.764 15.241 1.00 0.00 O ATOM 421 CB LYS A 27 37.460 25.820 16.290 1.00 0.00 C ATOM 422 CG LYS A 27 36.118 25.219 16.728 1.00 0.00 C ATOM 423 CD LYS A 27 36.272 24.544 18.095 1.00 0.00 C ATOM 424 CE LYS A 27 34.931 23.942 18.519 1.00 0.00 C ATOM 425 NZ LYS A 27 34.999 23.536 19.951 1.00 0.00 N ATOM 0 H LYS A 27 36.792 25.269 13.976 1.00 0.00 H new ATOM 0 HA LYS A 27 36.505 27.619 15.602 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.108 25.037 15.895 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.972 26.254 17.149 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.360 26.000 16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.776 24.493 15.990 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.033 23.765 18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.608 25.270 18.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.132 24.669 18.374 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.694 23.079 17.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.062 22.500 20.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.838 23.962 20.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.144 23.862 20.445 1.00 0.00 H new ATOM 439 N ALA A 28 39.425 26.867 14.257 1.00 0.00 N ATOM 440 CA ALA A 28 40.721 27.411 13.892 1.00 0.00 C ATOM 441 C ALA A 28 40.557 28.733 13.142 1.00 0.00 C ATOM 442 O ALA A 28 41.368 29.644 13.294 1.00 0.00 O ATOM 443 CB ALA A 28 41.458 26.401 13.011 1.00 0.00 C ATOM 0 H ALA A 28 39.277 25.898 13.974 1.00 0.00 H new ATOM 0 HA ALA A 28 41.297 27.600 14.798 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.432 26.803 12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.593 25.469 13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.874 26.210 12.111 1.00 0.00 H new ATOM 449 N LYS A 29 39.495 28.830 12.348 1.00 0.00 N ATOM 450 CA LYS A 29 39.236 30.055 11.603 1.00 0.00 C ATOM 451 C LYS A 29 38.889 31.188 12.568 1.00 0.00 C ATOM 452 O LYS A 29 39.603 32.189 12.650 1.00 0.00 O ATOM 453 CB LYS A 29 38.096 29.839 10.602 1.00 0.00 C ATOM 454 CG LYS A 29 38.645 29.156 9.341 1.00 0.00 C ATOM 455 CD LYS A 29 37.505 28.494 8.576 1.00 0.00 C ATOM 456 CE LYS A 29 38.072 27.699 7.396 1.00 0.00 C ATOM 457 NZ LYS A 29 39.090 28.526 6.685 1.00 0.00 N ATOM 0 H LYS A 29 38.810 28.087 12.206 1.00 0.00 H new ATOM 0 HA LYS A 29 40.134 30.327 11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.315 29.225 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.640 30.794 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.144 29.889 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.392 28.411 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.945 27.833 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.807 29.250 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.523 26.772 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.270 27.421 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.203 28.177 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.778 29.518 6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.000 28.461 7.184 1.00 0.00 H new ATOM 471 N ILE A 30 37.780 31.027 13.287 1.00 0.00 N ATOM 472 CA ILE A 30 37.331 32.034 14.230 1.00 0.00 C ATOM 473 C ILE A 30 38.460 32.440 15.182 1.00 0.00 C ATOM 474 O ILE A 30 38.605 33.614 15.509 1.00 0.00 O ATOM 475 CB ILE A 30 36.142 31.471 15.018 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.909 31.405 14.108 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.836 32.371 16.215 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.837 30.534 14.766 1.00 0.00 C ATOM 0 H ILE A 30 37.179 30.205 13.230 1.00 0.00 H new ATOM 0 HA ILE A 30 37.027 32.928 13.685 1.00 0.00 H new ATOM 0 HB ILE A 30 36.392 30.471 15.373 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.520 32.408 13.931 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.182 30.993 13.137 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.990 31.964 16.769 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.708 32.418 16.867 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.591 33.373 15.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.960 30.486 14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.229 29.529 14.920 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.557 30.966 15.727 1.00 0.00 H new ATOM 490 N GLN A 31 39.250 31.470 15.626 1.00 0.00 N ATOM 491 CA GLN A 31 40.350 31.758 16.542 1.00 0.00 C ATOM 492 C GLN A 31 41.320 32.756 15.919 1.00 0.00 C ATOM 493 O GLN A 31 41.534 33.848 16.446 1.00 0.00 O ATOM 494 CB GLN A 31 41.100 30.466 16.884 1.00 0.00 C ATOM 495 CG GLN A 31 40.241 29.604 17.811 1.00 0.00 C ATOM 496 CD GLN A 31 40.791 28.183 17.861 1.00 0.00 C ATOM 497 OE1 GLN A 31 40.140 27.221 17.272 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 41.843 27.941 18.452 1.00 0.00 N flip ATOM 0 H GLN A 31 39.153 30.487 15.371 1.00 0.00 H new ATOM 0 HA GLN A 31 39.933 32.190 17.452 1.00 0.00 H new ATOM 0 HB2 GLN A 31 41.333 29.916 15.972 1.00 0.00 H new ATOM 0 HB3 GLN A 31 42.049 30.701 17.365 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.229 30.033 18.813 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.210 29.591 17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.354 28.694 18.914 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.204 26.988 18.480 1.00 0.00 H new ATOM 507 N ASP A 32 41.910 32.355 14.809 1.00 0.00 N ATOM 508 CA ASP A 32 42.877 33.201 14.119 1.00 0.00 C ATOM 509 C ASP A 32 42.328 34.610 13.864 1.00 0.00 C ATOM 510 O ASP A 32 43.068 35.589 13.951 1.00 0.00 O ATOM 511 CB ASP A 32 43.281 32.555 12.791 1.00 0.00 C ATOM 512 CG ASP A 32 44.072 31.276 13.053 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.823 31.254 14.015 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.916 30.338 12.288 1.00 0.00 O ATOM 0 H ASP A 32 41.741 31.453 14.364 1.00 0.00 H new ATOM 0 HA ASP A 32 43.750 33.297 14.765 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.392 32.329 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.882 33.251 12.206 1.00 0.00 H new ATOM 519 N LYS A 33 41.042 34.712 13.523 1.00 0.00 N ATOM 520 CA LYS A 33 40.443 36.018 13.227 1.00 0.00 C ATOM 521 C LYS A 33 40.051 36.811 14.482 1.00 0.00 C ATOM 522 O LYS A 33 40.125 38.040 14.479 1.00 0.00 O ATOM 523 CB LYS A 33 39.199 35.841 12.361 1.00 0.00 C ATOM 524 CG LYS A 33 39.552 35.096 11.072 1.00 0.00 C ATOM 525 CD LYS A 33 38.263 34.768 10.312 1.00 0.00 C ATOM 526 CE LYS A 33 38.603 34.083 8.987 1.00 0.00 C ATOM 527 NZ LYS A 33 39.241 35.065 8.065 1.00 0.00 N ATOM 0 H LYS A 33 40.403 33.921 13.445 1.00 0.00 H new ATOM 0 HA LYS A 33 41.211 36.586 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.439 35.288 12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.773 36.815 12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.208 35.707 10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.095 34.180 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.629 34.118 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.698 35.681 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.276 33.243 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.699 33.677 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.210 34.699 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.728 35.969 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.231 35.214 8.347 1.00 0.00 H new ATOM 541 N GLU A 34 39.583 36.129 15.534 1.00 0.00 N ATOM 542 CA GLU A 34 39.130 36.822 16.755 1.00 0.00 C ATOM 543 C GLU A 34 40.059 36.600 17.949 1.00 0.00 C ATOM 544 O GLU A 34 39.826 37.156 19.022 1.00 0.00 O ATOM 545 CB GLU A 34 37.724 36.335 17.128 1.00 0.00 C ATOM 546 CG GLU A 34 36.818 36.371 15.897 1.00 0.00 C ATOM 547 CD GLU A 34 36.753 37.785 15.336 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.623 38.131 14.553 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.835 38.503 15.695 1.00 0.00 O ATOM 0 H GLU A 34 39.507 35.112 15.570 1.00 0.00 H new ATOM 0 HA GLU A 34 39.132 37.889 16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.774 35.321 17.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.308 36.964 17.915 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.196 35.687 15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.817 36.030 16.162 1.00 0.00 H new ATOM 556 N GLY A 35 41.135 35.853 17.769 1.00 0.00 N ATOM 557 CA GLY A 35 42.082 35.639 18.860 1.00 0.00 C ATOM 558 C GLY A 35 41.423 35.047 20.110 1.00 0.00 C ATOM 559 O GLY A 35 42.000 35.095 21.197 1.00 0.00 O ATOM 0 H GLY A 35 41.376 35.389 16.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.874 34.971 18.522 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.553 36.588 19.118 1.00 0.00 H new ATOM 563 N ILE A 36 40.222 34.489 19.962 1.00 0.00 N ATOM 564 CA ILE A 36 39.516 33.892 21.092 1.00 0.00 C ATOM 565 C ILE A 36 39.819 32.385 21.189 1.00 0.00 C ATOM 566 O ILE A 36 39.420 31.628 20.305 1.00 0.00 O ATOM 567 CB ILE A 36 38.019 34.088 20.896 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.760 35.567 20.634 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.272 33.652 22.156 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.265 35.825 20.553 1.00 0.00 C ATOM 0 H ILE A 36 39.721 34.438 19.075 1.00 0.00 H new ATOM 0 HA ILE A 36 39.848 34.375 22.011 1.00 0.00 H new ATOM 0 HB ILE A 36 37.670 33.489 20.055 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.199 36.168 21.430 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.241 35.870 19.704 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.201 33.794 22.011 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.475 32.599 22.354 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.606 34.251 23.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.088 36.884 20.366 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.838 35.237 19.741 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.795 35.540 21.494 1.00 0.00 H new ATOM 582 N PRO A 37 40.488 31.920 22.229 1.00 0.00 N ATOM 583 CA PRO A 37 40.793 30.460 22.387 1.00 0.00 C ATOM 584 C PRO A 37 39.558 29.584 22.120 1.00 0.00 C ATOM 585 O PRO A 37 38.427 30.056 22.235 1.00 0.00 O ATOM 586 CB PRO A 37 41.244 30.350 23.850 1.00 0.00 C ATOM 587 CG PRO A 37 41.832 31.685 24.170 1.00 0.00 C ATOM 588 CD PRO A 37 41.035 32.709 23.354 1.00 0.00 C ATOM 0 HA PRO A 37 41.543 30.111 21.678 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.405 30.120 24.506 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.977 29.554 23.979 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.760 31.896 25.237 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.890 31.717 23.909 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.241 33.162 23.948 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.671 33.521 23.001 1.00 0.00 H new ATOM 596 N PRO A 38 39.748 28.333 21.763 1.00 0.00 N ATOM 597 CA PRO A 38 38.616 27.397 21.476 1.00 0.00 C ATOM 598 C PRO A 38 37.896 26.925 22.741 1.00 0.00 C ATOM 599 O PRO A 38 36.675 26.775 22.745 1.00 0.00 O ATOM 600 CB PRO A 38 39.298 26.228 20.754 1.00 0.00 C ATOM 601 CG PRO A 38 40.676 26.204 21.319 1.00 0.00 C ATOM 602 CD PRO A 38 41.051 27.664 21.597 1.00 0.00 C ATOM 0 HA PRO A 38 37.832 27.875 20.888 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.776 25.288 20.936 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.313 26.380 19.675 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.711 25.612 22.234 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.376 25.749 20.618 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.666 27.756 22.492 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.621 28.095 20.774 1.00 0.00 H new ATOM 610 N ASP A 39 38.654 26.685 23.804 1.00 0.00 N ATOM 611 CA ASP A 39 38.063 26.221 25.056 1.00 0.00 C ATOM 612 C ASP A 39 37.096 27.252 25.623 1.00 0.00 C ATOM 613 O ASP A 39 36.144 26.905 26.322 1.00 0.00 O ATOM 614 CB ASP A 39 39.162 25.942 26.085 1.00 0.00 C ATOM 615 CG ASP A 39 40.032 24.780 25.618 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.474 23.786 25.183 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.243 24.901 25.703 1.00 0.00 O ATOM 0 H ASP A 39 39.667 26.802 23.827 1.00 0.00 H new ATOM 0 HA ASP A 39 37.513 25.304 24.845 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.775 26.832 26.225 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.716 25.707 27.051 1.00 0.00 H new ATOM 622 N GLN A 40 37.355 28.522 25.336 1.00 0.00 N ATOM 623 CA GLN A 40 36.510 29.596 25.848 1.00 0.00 C ATOM 624 C GLN A 40 35.249 29.771 25.011 1.00 0.00 C ATOM 625 O GLN A 40 34.294 30.412 25.453 1.00 0.00 O ATOM 626 CB GLN A 40 37.287 30.915 25.860 1.00 0.00 C ATOM 627 CG GLN A 40 38.486 30.789 26.801 1.00 0.00 C ATOM 628 CD GLN A 40 39.257 32.104 26.847 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.024 32.991 26.025 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.167 32.285 27.765 1.00 0.00 N ATOM 0 H GLN A 40 38.135 28.833 24.757 1.00 0.00 H new ATOM 0 HA GLN A 40 36.216 29.323 26.861 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.625 31.160 24.853 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.639 31.729 26.186 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.146 30.523 27.802 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.141 29.986 26.463 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.359 31.549 28.445 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.686 33.162 27.802 1.00 0.00 H new ATOM 639 N GLN A 41 35.240 29.216 23.797 1.00 0.00 N ATOM 640 CA GLN A 41 34.084 29.338 22.910 1.00 0.00 C ATOM 641 C GLN A 41 33.306 28.029 22.810 1.00 0.00 C ATOM 642 O GLN A 41 33.879 26.940 22.860 1.00 0.00 O ATOM 643 CB GLN A 41 34.555 29.748 21.514 1.00 0.00 C ATOM 644 CG GLN A 41 35.309 31.075 21.596 1.00 0.00 C ATOM 645 CD GLN A 41 35.998 31.365 20.266 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.563 32.242 19.519 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.053 30.677 19.924 1.00 0.00 N ATOM 0 H GLN A 41 36.016 28.681 23.408 1.00 0.00 H new ATOM 0 HA GLN A 41 33.421 30.096 23.328 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.201 28.976 21.096 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.700 29.845 20.845 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.618 31.881 21.841 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.048 31.035 22.397 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.412 29.951 20.544 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.519 30.865 19.036 1.00 0.00 H new ATOM 656 N ARG A 42 31.991 28.162 22.652 1.00 0.00 N ATOM 657 CA ARG A 42 31.090 27.020 22.517 1.00 0.00 C ATOM 658 C ARG A 42 30.190 27.281 21.318 1.00 0.00 C ATOM 659 O ARG A 42 29.591 28.349 21.211 1.00 0.00 O ATOM 660 CB ARG A 42 30.238 26.866 23.784 1.00 0.00 C ATOM 661 CG ARG A 42 31.114 26.423 24.971 1.00 0.00 C ATOM 662 CD ARG A 42 31.294 24.899 24.958 1.00 0.00 C ATOM 663 NE ARG A 42 31.955 24.458 26.181 1.00 0.00 N ATOM 664 CZ ARG A 42 32.461 23.233 26.283 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.053 22.861 27.385 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.365 22.401 25.282 1.00 0.00 N ATOM 0 H ARG A 42 31.520 29.066 22.614 1.00 0.00 H new ATOM 0 HA ARG A 42 31.660 26.102 22.377 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.749 27.812 24.018 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.449 26.133 23.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.087 26.912 24.917 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.653 26.734 25.908 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.323 24.412 24.865 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.884 24.603 24.090 1.00 0.00 H new ATOM 0 HE ARG A 42 32.030 25.100 26.970 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.127 23.510 28.168 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.441 21.921 27.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.902 22.691 24.421 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.754 21.461 25.361 1.00 0.00 H new ATOM 680 N LEU A 43 30.108 26.322 20.400 1.00 0.00 N ATOM 681 CA LEU A 43 29.289 26.505 19.202 1.00 0.00 C ATOM 682 C LEU A 43 27.890 25.935 19.383 1.00 0.00 C ATOM 683 O LEU A 43 27.715 24.735 19.617 1.00 0.00 O ATOM 684 CB LEU A 43 29.948 25.827 18.008 1.00 0.00 C ATOM 685 CG LEU A 43 31.438 26.169 17.935 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.963 25.771 16.560 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.654 27.669 18.141 1.00 0.00 C ATOM 0 H LEU A 43 30.589 25.424 20.458 1.00 0.00 H new ATOM 0 HA LEU A 43 29.206 27.578 19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.823 24.747 18.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.454 26.141 17.089 1.00 0.00 H new ATOM 0 HG LEU A 43 31.969 25.629 18.718 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.025 26.009 16.493 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.821 24.700 16.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.419 26.319 15.790 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.719 27.894 18.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.125 28.223 17.365 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.272 27.961 19.119 1.00 0.00 H new ATOM 699 N ILE A 44 26.894 26.811 19.266 1.00 0.00 N ATOM 700 CA ILE A 44 25.489 26.413 19.414 1.00 0.00 C ATOM 701 C ILE A 44 24.726 26.558 18.095 1.00 0.00 C ATOM 702 O ILE A 44 24.679 27.642 17.502 1.00 0.00 O ATOM 703 CB ILE A 44 24.810 27.288 20.473 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.632 27.291 21.771 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.403 26.755 20.758 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.919 25.856 22.228 1.00 0.00 C ATOM 0 H ILE A 44 27.030 27.802 19.069 1.00 0.00 H new ATOM 0 HA ILE A 44 25.472 25.366 19.717 1.00 0.00 H new ATOM 0 HB ILE A 44 24.744 28.308 20.095 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.570 27.823 21.613 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.090 27.826 22.551 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.923 27.380 21.511 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.814 26.775 19.841 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.469 25.731 21.124 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.502 25.877 23.149 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.978 25.336 22.406 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.481 25.333 21.454 1.00 0.00 H new ATOM 718 N PHE A 45 24.122 25.453 17.648 1.00 0.00 N ATOM 719 CA PHE A 45 23.344 25.441 16.410 1.00 0.00 C ATOM 720 C PHE A 45 22.080 24.615 16.610 1.00 0.00 C ATOM 721 O PHE A 45 22.149 23.418 16.881 1.00 0.00 O ATOM 722 CB PHE A 45 24.172 24.828 15.280 1.00 0.00 C ATOM 723 CG PHE A 45 23.424 24.935 13.974 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.755 25.935 13.052 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.406 24.023 13.683 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.065 26.022 11.836 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.713 24.110 12.468 1.00 0.00 C ATOM 728 CZ PHE A 45 22.044 25.109 11.544 1.00 0.00 C ATOM 0 H PHE A 45 24.158 24.554 18.128 1.00 0.00 H new ATOM 0 HA PHE A 45 23.077 26.465 16.148 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.131 25.340 15.202 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.386 23.782 15.501 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.542 26.639 13.278 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.153 23.251 14.395 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.320 26.793 11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.924 23.407 12.244 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.512 25.175 10.606 1.00 0.00 H new ATOM 738 N ALA A 46 20.927 25.260 16.479 1.00 0.00 N ATOM 739 CA ALA A 46 19.654 24.569 16.648 1.00 0.00 C ATOM 740 C ALA A 46 19.552 23.943 18.039 1.00 0.00 C ATOM 741 O ALA A 46 18.988 22.861 18.201 1.00 0.00 O ATOM 742 CB ALA A 46 19.509 23.481 15.583 1.00 0.00 C ATOM 0 H ALA A 46 20.847 26.253 16.258 1.00 0.00 H new ATOM 0 HA ALA A 46 18.852 25.299 16.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.556 22.968 15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.544 23.935 14.592 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.324 22.764 15.682 1.00 0.00 H new ATOM 748 N GLY A 47 20.081 24.640 19.039 1.00 0.00 N ATOM 749 CA GLY A 47 20.027 24.156 20.417 1.00 0.00 C ATOM 750 C GLY A 47 20.878 22.901 20.626 1.00 0.00 C ATOM 751 O GLY A 47 20.703 22.192 21.617 1.00 0.00 O ATOM 0 H GLY A 47 20.550 25.538 18.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.371 24.942 21.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.992 23.939 20.683 1.00 0.00 H new ATOM 755 N LYS A 48 21.804 22.634 19.703 1.00 0.00 N ATOM 756 CA LYS A 48 22.686 21.462 19.814 1.00 0.00 C ATOM 757 C LYS A 48 24.147 21.888 19.749 1.00 0.00 C ATOM 758 O LYS A 48 24.549 22.586 18.818 1.00 0.00 O ATOM 759 CB LYS A 48 22.411 20.479 18.683 1.00 0.00 C ATOM 760 CG LYS A 48 20.957 20.002 18.744 1.00 0.00 C ATOM 761 CD LYS A 48 20.716 18.961 17.648 1.00 0.00 C ATOM 762 CE LYS A 48 19.267 18.476 17.715 1.00 0.00 C ATOM 763 NZ LYS A 48 19.028 17.491 16.624 1.00 0.00 N ATOM 0 H LYS A 48 21.965 23.207 18.874 1.00 0.00 H new ATOM 0 HA LYS A 48 22.487 20.982 20.772 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.606 20.954 17.722 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.085 19.626 18.760 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.745 19.571 19.723 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.280 20.846 18.614 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.921 19.394 16.669 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.398 18.120 17.774 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.069 18.018 18.684 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.584 19.320 17.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.043 17.159 16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.202 17.943 15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.672 16.682 16.739 1.00 0.00 H new ATOM 777 N GLN A 49 24.953 21.450 20.714 1.00 0.00 N ATOM 778 CA GLN A 49 26.367 21.787 20.710 1.00 0.00 C ATOM 779 C GLN A 49 27.108 20.921 19.703 1.00 0.00 C ATOM 780 O GLN A 49 26.915 19.705 19.655 1.00 0.00 O ATOM 781 CB GLN A 49 26.966 21.582 22.098 1.00 0.00 C ATOM 782 CG GLN A 49 28.356 22.218 22.149 1.00 0.00 C ATOM 783 CD GLN A 49 29.051 21.849 23.454 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.147 21.289 23.439 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.476 22.130 24.591 1.00 0.00 N ATOM 0 H GLN A 49 24.653 20.869 21.497 1.00 0.00 H new ATOM 0 HA GLN A 49 26.471 22.835 20.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.321 22.029 22.854 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.032 20.518 22.324 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.952 21.878 21.302 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.272 23.302 22.066 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.568 22.594 24.602 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.935 21.886 25.469 1.00 0.00 H new ATOM 794 N LEU A 50 27.939 21.550 18.889 1.00 0.00 N ATOM 795 CA LEU A 50 28.681 20.816 17.875 1.00 0.00 C ATOM 796 C LEU A 50 29.797 19.989 18.507 1.00 0.00 C ATOM 797 O LEU A 50 30.498 20.449 19.408 1.00 0.00 O ATOM 798 CB LEU A 50 29.254 21.787 16.845 1.00 0.00 C ATOM 799 CG LEU A 50 28.124 22.316 15.947 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.129 23.137 16.780 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.717 23.202 14.851 1.00 0.00 C ATOM 0 H LEU A 50 28.116 22.554 18.908 1.00 0.00 H new ATOM 0 HA LEU A 50 27.997 20.130 17.375 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.749 22.617 17.349 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.009 21.286 16.239 1.00 0.00 H new ATOM 0 HG LEU A 50 27.603 21.471 15.497 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.333 23.507 16.134 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.701 22.507 17.560 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.646 23.980 17.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.916 23.578 14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.242 24.042 15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.416 22.619 14.250 1.00 0.00 H new ATOM 813 N GLU A 51 29.946 18.759 18.021 1.00 0.00 N ATOM 814 CA GLU A 51 30.964 17.850 18.524 1.00 0.00 C ATOM 815 C GLU A 51 32.357 18.237 18.020 1.00 0.00 C ATOM 816 O GLU A 51 32.547 18.518 16.835 1.00 0.00 O ATOM 817 CB GLU A 51 30.626 16.416 18.096 1.00 0.00 C ATOM 818 CG GLU A 51 31.160 15.425 19.125 1.00 0.00 C ATOM 819 CD GLU A 51 31.203 14.026 18.523 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.541 13.815 17.519 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.893 13.186 19.075 1.00 0.00 O ATOM 0 H GLU A 51 29.369 18.370 17.275 1.00 0.00 H new ATOM 0 HA GLU A 51 30.976 17.915 19.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.547 16.303 17.996 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.061 16.207 17.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.158 15.723 19.446 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.525 15.430 20.011 1.00 0.00 H new ATOM 828 N ASP A 52 33.322 18.242 18.930 1.00 0.00 N ATOM 829 CA ASP A 52 34.691 18.595 18.593 1.00 0.00 C ATOM 830 C ASP A 52 35.321 17.647 17.560 1.00 0.00 C ATOM 831 O ASP A 52 36.541 17.480 17.553 1.00 0.00 O ATOM 832 CB ASP A 52 35.548 18.576 19.862 1.00 0.00 C ATOM 833 CG ASP A 52 34.871 19.384 20.963 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.083 18.809 21.696 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.152 20.567 21.059 1.00 0.00 O ATOM 0 H ASP A 52 33.179 18.004 19.911 1.00 0.00 H new ATOM 0 HA ASP A 52 34.660 19.590 18.150 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.698 17.549 20.194 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.534 18.990 19.651 1.00 0.00 H new ATOM 840 N GLY A 53 34.518 17.025 16.687 1.00 0.00 N ATOM 841 CA GLY A 53 35.097 16.114 15.694 1.00 0.00 C ATOM 842 C GLY A 53 34.126 15.718 14.577 1.00 0.00 C ATOM 843 O GLY A 53 34.355 14.718 13.894 1.00 0.00 O ATOM 0 H GLY A 53 33.504 17.129 16.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.974 16.585 15.250 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.442 15.212 16.200 1.00 0.00 H new ATOM 847 N ARG A 54 33.055 16.491 14.369 1.00 0.00 N ATOM 848 CA ARG A 54 32.092 16.174 13.300 1.00 0.00 C ATOM 849 C ARG A 54 32.259 17.125 12.112 1.00 0.00 C ATOM 850 O ARG A 54 32.977 18.122 12.191 1.00 0.00 O ATOM 851 CB ARG A 54 30.647 16.259 13.834 1.00 0.00 C ATOM 852 CG ARG A 54 29.758 15.197 13.154 1.00 0.00 C ATOM 853 CD ARG A 54 29.880 13.850 13.881 1.00 0.00 C ATOM 854 NE ARG A 54 29.112 13.873 15.119 1.00 0.00 N ATOM 855 CZ ARG A 54 27.784 13.855 15.100 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.117 13.866 16.221 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.146 13.834 13.961 1.00 0.00 N ATOM 0 H ARG A 54 32.832 17.325 14.912 1.00 0.00 H new ATOM 0 HA ARG A 54 32.290 15.157 12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.642 16.109 14.914 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.242 17.254 13.649 1.00 0.00 H new ATOM 0 HG2 ARG A 54 28.719 15.527 13.158 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.052 15.082 12.111 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.521 13.047 13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.927 13.640 14.098 1.00 0.00 H new ATOM 0 HE ARG A 54 29.601 13.903 16.013 1.00 0.00 H new ATOM 0 HH11 ARG A 54 27.615 13.888 17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.097 13.852 16.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.667 13.831 13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.126 13.820 13.948 1.00 0.00 H new ATOM 871 N THR A 55 31.564 16.804 11.020 1.00 0.00 N ATOM 872 CA THR A 55 31.598 17.620 9.804 1.00 0.00 C ATOM 873 C THR A 55 30.314 18.432 9.679 1.00 0.00 C ATOM 874 O THR A 55 29.239 17.995 10.112 1.00 0.00 O ATOM 875 CB THR A 55 31.751 16.719 8.573 1.00 0.00 C ATOM 876 OG1 THR A 55 30.750 15.710 8.601 1.00 0.00 O ATOM 877 CG2 THR A 55 33.137 16.067 8.582 1.00 0.00 C ATOM 0 H THR A 55 30.967 15.980 10.952 1.00 0.00 H new ATOM 0 HA THR A 55 32.448 18.299 9.865 1.00 0.00 H new ATOM 0 HB THR A 55 31.641 17.317 7.668 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.844 15.134 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.244 15.427 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.904 16.842 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.251 15.468 9.485 1.00 0.00 H new ATOM 885 N LEU A 56 30.411 19.604 9.060 1.00 0.00 N ATOM 886 CA LEU A 56 29.230 20.424 8.876 1.00 0.00 C ATOM 887 C LEU A 56 28.183 19.628 8.104 1.00 0.00 C ATOM 888 O LEU A 56 26.990 19.760 8.364 1.00 0.00 O ATOM 889 CB LEU A 56 29.590 21.708 8.128 1.00 0.00 C ATOM 890 CG LEU A 56 30.235 22.716 9.091 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.542 22.141 9.650 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.532 24.010 8.332 1.00 0.00 C ATOM 0 H LEU A 56 31.275 19.996 8.687 1.00 0.00 H new ATOM 0 HA LEU A 56 28.823 20.702 9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.276 21.482 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.695 22.141 7.681 1.00 0.00 H new ATOM 0 HG LEU A 56 29.553 22.917 9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.994 22.861 10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.332 21.215 10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.230 21.937 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.990 24.732 9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.215 23.800 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.603 24.422 7.937 1.00 0.00 H new ATOM 904 N SER A 57 28.624 18.812 7.140 1.00 0.00 N ATOM 905 CA SER A 57 27.698 18.019 6.335 1.00 0.00 C ATOM 906 C SER A 57 26.676 17.302 7.211 1.00 0.00 C ATOM 907 O SER A 57 25.489 17.227 6.865 1.00 0.00 O ATOM 908 CB SER A 57 28.478 16.991 5.516 1.00 0.00 C ATOM 909 OG SER A 57 27.585 16.313 4.641 1.00 0.00 O ATOM 0 H SER A 57 29.608 18.686 6.902 1.00 0.00 H new ATOM 0 HA SER A 57 27.163 18.696 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.262 17.485 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.968 16.278 6.178 1.00 0.00 H new ATOM 0 HG SER A 57 28.082 15.654 4.113 1.00 0.00 H new ATOM 915 N ASP A 58 27.127 16.800 8.356 1.00 0.00 N ATOM 916 CA ASP A 58 26.220 16.126 9.272 1.00 0.00 C ATOM 917 C ASP A 58 25.167 17.124 9.724 1.00 0.00 C ATOM 918 O ASP A 58 23.984 16.798 9.876 1.00 0.00 O ATOM 919 CB ASP A 58 26.988 15.587 10.484 1.00 0.00 C ATOM 920 CG ASP A 58 26.054 14.775 11.380 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.442 15.367 12.253 1.00 0.00 O ATOM 922 OD2 ASP A 58 25.970 13.575 11.180 1.00 0.00 O ATOM 0 H ASP A 58 28.098 16.846 8.666 1.00 0.00 H new ATOM 0 HA ASP A 58 25.746 15.283 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.817 14.963 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.418 16.414 11.049 1.00 0.00 H new ATOM 927 N TYR A 59 25.621 18.359 9.912 1.00 0.00 N ATOM 928 CA TYR A 59 24.741 19.444 10.332 1.00 0.00 C ATOM 929 C TYR A 59 24.063 20.116 9.128 1.00 0.00 C ATOM 930 O TYR A 59 23.233 21.008 9.302 1.00 0.00 O ATOM 931 CB TYR A 59 25.558 20.481 11.107 1.00 0.00 C ATOM 932 CG TYR A 59 25.909 19.937 12.478 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.248 19.699 12.818 1.00 0.00 C ATOM 934 CD2 TYR A 59 24.895 19.672 13.410 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.571 19.197 14.083 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.220 19.171 14.675 1.00 0.00 C ATOM 937 CZ TYR A 59 26.558 18.932 15.012 1.00 0.00 C ATOM 938 OH TYR A 59 26.878 18.436 16.257 1.00 0.00 O ATOM 0 H TYR A 59 26.594 18.634 9.780 1.00 0.00 H new ATOM 0 HA TYR A 59 23.959 19.027 10.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.468 20.725 10.558 1.00 0.00 H new ATOM 0 HB3 TYR A 59 24.989 21.405 11.207 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.031 19.903 12.103 1.00 0.00 H new ATOM 0 HD2 TYR A 59 23.863 19.855 13.151 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.603 19.014 14.343 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.438 18.968 15.392 1.00 0.00 H new ATOM 0 HH TYR A 59 26.058 18.309 16.779 1.00 0.00 H new ATOM 948 N ASN A 60 24.411 19.689 7.910 1.00 0.00 N ATOM 949 CA ASN A 60 23.806 20.273 6.707 1.00 0.00 C ATOM 950 C ASN A 60 22.441 19.651 6.440 1.00 0.00 C ATOM 951 O ASN A 60 21.507 20.338 6.028 1.00 0.00 O ATOM 952 CB ASN A 60 24.711 20.063 5.490 1.00 0.00 C ATOM 953 CG ASN A 60 24.071 20.694 4.254 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.801 21.895 4.238 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.810 19.950 3.214 1.00 0.00 N ATOM 0 H ASN A 60 25.096 18.955 7.731 1.00 0.00 H new ATOM 0 HA ASN A 60 23.684 21.343 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.689 20.508 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.871 18.998 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.382 20.363 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.035 18.955 3.229 1.00 0.00 H new ATOM 962 N ILE A 61 22.326 18.350 6.686 1.00 0.00 N ATOM 963 CA ILE A 61 21.050 17.667 6.477 1.00 0.00 C ATOM 964 C ILE A 61 20.010 18.268 7.417 1.00 0.00 C ATOM 965 O ILE A 61 18.925 18.673 6.992 1.00 0.00 O ATOM 966 CB ILE A 61 21.208 16.167 6.748 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.189 15.574 5.735 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.851 15.475 6.613 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.615 14.176 6.189 1.00 0.00 C ATOM 0 H ILE A 61 23.083 17.755 7.024 1.00 0.00 H new ATOM 0 HA ILE A 61 20.726 17.797 5.444 1.00 0.00 H new ATOM 0 HB ILE A 61 21.588 16.016 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.723 15.521 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.063 16.218 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.966 14.408 6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.152 15.901 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.467 15.622 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.314 13.756 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.098 14.241 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.737 13.534 6.261 1.00 0.00 H new ATOM 981 N GLN A 62 20.361 18.317 8.697 1.00 0.00 N ATOM 982 CA GLN A 62 19.474 18.871 9.711 1.00 0.00 C ATOM 983 C GLN A 62 19.385 20.390 9.552 1.00 0.00 C ATOM 984 O GLN A 62 19.463 21.127 10.534 1.00 0.00 O ATOM 985 CB GLN A 62 20.020 18.527 11.104 1.00 0.00 C ATOM 986 CG GLN A 62 18.912 18.661 12.151 1.00 0.00 C ATOM 987 CD GLN A 62 17.896 17.535 11.979 1.00 0.00 C ATOM 988 OE1 GLN A 62 16.839 17.737 11.382 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.157 16.354 12.468 1.00 0.00 N ATOM 0 H GLN A 62 21.254 17.980 9.056 1.00 0.00 H new ATOM 0 HA GLN A 62 18.478 18.444 9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.414 17.511 11.108 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.848 19.191 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.340 18.626 13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.418 19.627 12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.034 16.189 12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.484 15.596 12.356 1.00 0.00 H new ATOM 998 N LYS A 63 19.216 20.852 8.308 1.00 0.00 N ATOM 999 CA LYS A 63 19.106 22.288 8.031 1.00 0.00 C ATOM 1000 C LYS A 63 17.683 22.803 8.280 1.00 0.00 C ATOM 1001 O LYS A 63 17.051 23.348 7.372 1.00 0.00 O ATOM 1002 CB LYS A 63 19.527 22.592 6.584 1.00 0.00 C ATOM 1003 CG LYS A 63 18.780 21.670 5.616 1.00 0.00 C ATOM 1004 CD LYS A 63 18.891 22.212 4.188 1.00 0.00 C ATOM 1005 CE LYS A 63 18.207 21.241 3.221 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.005 19.985 3.129 1.00 0.00 N ATOM 0 H LYS A 63 19.153 20.257 7.482 1.00 0.00 H new ATOM 0 HA LYS A 63 19.778 22.805 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.312 23.634 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.603 22.455 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.195 20.663 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.732 21.597 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.425 23.195 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.939 22.337 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.197 21.018 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.114 21.698 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.731 19.461 2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.017 20.219 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.825 19.397 3.968 1.00 0.00 H new ATOM 1020 N GLU A 64 17.189 22.632 9.506 1.00 0.00 N ATOM 1021 CA GLU A 64 15.836 23.083 9.843 1.00 0.00 C ATOM 1022 C GLU A 64 15.677 24.553 9.471 1.00 0.00 C ATOM 1023 O GLU A 64 14.590 24.998 9.105 1.00 0.00 O ATOM 1024 CB GLU A 64 15.600 22.919 11.354 1.00 0.00 C ATOM 1025 CG GLU A 64 15.530 21.434 11.713 1.00 0.00 C ATOM 1026 CD GLU A 64 14.268 20.814 11.127 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.356 21.561 10.813 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.232 19.602 11.000 1.00 0.00 O ATOM 0 H GLU A 64 17.696 22.191 10.274 1.00 0.00 H new ATOM 0 HA GLU A 64 15.112 22.485 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.405 23.399 11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.673 23.416 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.410 20.917 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.535 21.313 12.796 1.00 0.00 H new HETATM 1035 N SEP A 65 16.770 25.303 9.559 1.00 0.00 N HETATM 1036 CA SEP A 65 16.764 26.728 9.223 1.00 0.00 C HETATM 1037 CB SEP A 65 16.933 27.569 10.485 1.00 0.00 C HETATM 1038 OG SEP A 65 16.513 28.902 10.225 1.00 0.00 O HETATM 1039 C SEP A 65 17.895 27.022 8.244 1.00 0.00 C HETATM 1040 O SEP A 65 18.260 26.172 7.431 1.00 0.00 O HETATM 1041 P SEP A 65 16.504 29.932 11.366 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.037 29.922 11.919 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.907 31.292 10.701 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.559 29.409 12.400 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.347 27.144 11.300 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.975 27.560 10.804 1.00 0.00 H new HETATM 0 HA SEP A 65 15.810 26.983 8.762 1.00 0.00 H new ATOM 1049 N THR A 66 18.464 28.223 8.335 1.00 0.00 N ATOM 1050 CA THR A 66 19.579 28.603 7.468 1.00 0.00 C ATOM 1051 C THR A 66 20.883 28.464 8.241 1.00 0.00 C ATOM 1052 O THR A 66 20.871 28.073 9.411 1.00 0.00 O ATOM 1053 CB THR A 66 19.412 30.055 6.998 1.00 0.00 C ATOM 1054 OG1 THR A 66 20.428 30.358 6.052 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.532 31.001 8.193 1.00 0.00 C ATOM 0 H THR A 66 18.174 28.945 8.995 1.00 0.00 H new ATOM 0 HA THR A 66 19.595 27.950 6.595 1.00 0.00 H new ATOM 0 HB THR A 66 18.431 30.179 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.325 31.284 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.413 32.031 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.757 30.766 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.512 30.882 8.655 1.00 0.00 H new ATOM 1063 N LEU A 67 22.016 28.755 7.597 1.00 0.00 N ATOM 1064 CA LEU A 67 23.310 28.620 8.247 1.00 0.00 C ATOM 1065 C LEU A 67 23.599 29.816 9.143 1.00 0.00 C ATOM 1066 O LEU A 67 24.136 30.836 8.701 1.00 0.00 O ATOM 1067 CB LEU A 67 24.406 28.522 7.172 1.00 0.00 C ATOM 1068 CG LEU A 67 24.032 27.452 6.127 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.996 27.517 4.935 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.112 26.059 6.763 1.00 0.00 C ATOM 0 H LEU A 67 22.058 29.083 6.632 1.00 0.00 H new ATOM 0 HA LEU A 67 23.296 27.720 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.535 29.488 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.359 28.270 7.636 1.00 0.00 H new ATOM 0 HG LEU A 67 23.016 27.641 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.722 26.757 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.938 28.503 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.014 27.338 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.847 25.305 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.127 25.879 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.419 26.002 7.602 1.00 0.00 H new ATOM 1082 N HIS A 68 23.268 29.654 10.417 1.00 0.00 N ATOM 1083 CA HIS A 68 23.496 30.692 11.415 1.00 0.00 C ATOM 1084 C HIS A 68 24.136 30.066 12.636 1.00 0.00 C ATOM 1085 O HIS A 68 23.564 29.176 13.267 1.00 0.00 O ATOM 1086 CB HIS A 68 22.169 31.345 11.808 1.00 0.00 C ATOM 1087 CG HIS A 68 21.268 30.314 12.429 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.029 29.087 11.832 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.537 30.315 13.592 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.186 28.406 12.630 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.855 29.109 13.716 1.00 0.00 N ATOM 0 H HIS A 68 22.837 28.807 10.786 1.00 0.00 H new ATOM 0 HA HIS A 68 24.153 31.456 11.001 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.346 32.159 12.511 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.691 31.780 10.930 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.498 31.128 14.302 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.821 27.412 12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.235 28.823 14.474 1.00 0.00 H new ATOM 1100 N LEU A 69 25.340 30.524 12.958 1.00 0.00 N ATOM 1101 CA LEU A 69 26.081 30.005 14.090 1.00 0.00 C ATOM 1102 C LEU A 69 26.067 31.001 15.238 1.00 0.00 C ATOM 1103 O LEU A 69 26.392 32.174 15.053 1.00 0.00 O ATOM 1104 CB LEU A 69 27.530 29.729 13.638 1.00 0.00 C ATOM 1105 CG LEU A 69 28.138 28.561 14.436 1.00 0.00 C ATOM 1106 CD1 LEU A 69 28.004 28.832 15.943 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.412 27.245 14.075 1.00 0.00 C ATOM 0 H LEU A 69 25.823 31.260 12.443 1.00 0.00 H new ATOM 0 HA LEU A 69 25.618 29.083 14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.545 29.495 12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.136 30.624 13.777 1.00 0.00 H new ATOM 0 HG LEU A 69 29.194 28.468 14.182 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.436 28.002 16.502 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.531 29.752 16.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.950 28.934 16.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.847 26.422 14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.353 27.335 14.319 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.523 27.049 13.009 1.00 0.00 H new ATOM 1119 N VAL A 70 25.732 30.521 16.433 1.00 0.00 N ATOM 1120 CA VAL A 70 25.720 31.378 17.615 1.00 0.00 C ATOM 1121 C VAL A 70 26.977 31.124 18.433 1.00 0.00 C ATOM 1122 O VAL A 70 27.224 30.005 18.886 1.00 0.00 O ATOM 1123 CB VAL A 70 24.472 31.088 18.455 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.598 31.759 19.827 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.248 31.646 17.732 1.00 0.00 C ATOM 0 H VAL A 70 25.467 29.552 16.608 1.00 0.00 H new ATOM 0 HA VAL A 70 25.698 32.424 17.308 1.00 0.00 H new ATOM 0 HB VAL A 70 24.369 30.012 18.592 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.707 31.548 20.418 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.476 31.370 20.343 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.701 32.836 19.697 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.354 31.445 18.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.362 32.722 17.601 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.154 31.170 16.756 1.00 0.00 H new ATOM 1135 N LEU A 71 27.769 32.175 18.624 1.00 0.00 N ATOM 1136 CA LEU A 71 29.007 32.063 19.390 1.00 0.00 C ATOM 1137 C LEU A 71 28.769 32.384 20.861 1.00 0.00 C ATOM 1138 O LEU A 71 28.427 33.512 21.218 1.00 0.00 O ATOM 1139 CB LEU A 71 30.063 33.017 18.819 1.00 0.00 C ATOM 1140 CG LEU A 71 31.446 32.680 19.409 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.930 31.303 18.904 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.456 33.757 18.989 1.00 0.00 C ATOM 0 H LEU A 71 27.578 33.109 18.261 1.00 0.00 H new ATOM 0 HA LEU A 71 29.363 31.036 19.313 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.091 32.934 17.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.799 34.048 19.053 1.00 0.00 H new ATOM 0 HG LEU A 71 31.364 32.648 20.495 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.908 31.082 19.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.220 30.534 19.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.004 31.320 17.817 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.435 33.520 19.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.523 33.789 17.902 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.129 34.728 19.361 1.00 0.00 H new ATOM 1154 N ARG A 72 28.983 31.383 21.708 1.00 0.00 N ATOM 1155 CA ARG A 72 28.828 31.538 23.154 1.00 0.00 C ATOM 1156 C ARG A 72 30.207 31.644 23.802 1.00 0.00 C ATOM 1157 O ARG A 72 31.131 30.931 23.415 1.00 0.00 O ATOM 1158 CB ARG A 72 28.069 30.324 23.722 1.00 0.00 C ATOM 1159 CG ARG A 72 26.550 30.520 23.583 1.00 0.00 C ATOM 1160 CD ARG A 72 25.814 29.528 24.487 1.00 0.00 C ATOM 1161 NE ARG A 72 25.861 29.976 25.874 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.238 29.301 26.834 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.296 29.720 28.069 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.566 28.221 26.542 1.00 0.00 N ATOM 0 H ARG A 72 29.267 30.447 21.417 1.00 0.00 H new ATOM 0 HA ARG A 72 28.261 32.444 23.369 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.374 29.419 23.196 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.328 30.185 24.772 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.280 31.541 23.852 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.249 30.374 22.546 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.777 29.431 24.164 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.268 28.541 24.401 1.00 0.00 H new ATOM 0 HE ARG A 72 26.381 30.821 26.111 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.819 30.565 28.297 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.818 29.202 28.806 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.519 27.895 25.577 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.088 27.703 27.279 1.00 0.00 H new ATOM 1178 N LEU A 73 30.337 32.522 24.797 1.00 0.00 N ATOM 1179 CA LEU A 73 31.613 32.696 25.501 1.00 0.00 C ATOM 1180 C LEU A 73 31.433 32.480 26.999 1.00 0.00 C ATOM 1181 O LEU A 73 30.463 32.954 27.590 1.00 0.00 O ATOM 1182 CB LEU A 73 32.166 34.103 25.246 1.00 0.00 C ATOM 1183 CG LEU A 73 33.654 34.169 25.652 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.544 33.642 24.516 1.00 0.00 C ATOM 1185 CD2 LEU A 73 34.042 35.621 25.954 1.00 0.00 C ATOM 0 H LEU A 73 29.583 33.120 25.133 1.00 0.00 H new ATOM 0 HA LEU A 73 32.318 31.956 25.122 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.057 34.360 24.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.593 34.836 25.814 1.00 0.00 H new ATOM 0 HG LEU A 73 33.799 33.551 26.538 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.590 33.695 24.818 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.282 32.607 24.299 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.393 34.250 23.624 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.093 35.665 26.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.882 36.233 25.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.427 36.000 26.771 1.00 0.00 H new ATOM 1197 N ARG A 74 32.377 31.766 27.614 1.00 0.00 N ATOM 1198 CA ARG A 74 32.312 31.500 29.049 1.00 0.00 C ATOM 1199 C ARG A 74 32.901 32.668 29.835 1.00 0.00 C ATOM 1200 O ARG A 74 34.106 32.920 29.786 1.00 0.00 O ATOM 1201 CB ARG A 74 33.086 30.220 29.378 1.00 0.00 C ATOM 1202 CG ARG A 74 32.987 29.932 30.878 1.00 0.00 C ATOM 1203 CD ARG A 74 33.559 28.544 31.171 1.00 0.00 C ATOM 1204 NE ARG A 74 34.938 28.457 30.705 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.642 27.337 30.841 1.00 0.00 C ATOM 1206 NH1 ARG A 74 36.871 27.283 30.406 1.00 0.00 N ATOM 1207 NH2 ARG A 74 35.105 26.293 31.411 1.00 0.00 N ATOM 0 H ARG A 74 33.189 31.365 27.144 1.00 0.00 H new ATOM 0 HA ARG A 74 31.267 31.375 29.331 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.682 29.382 28.809 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.131 30.329 29.086 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.534 30.688 31.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.947 29.984 31.201 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.516 28.344 32.242 1.00 0.00 H new ATOM 0 HD3 ARG A 74 32.953 27.782 30.680 1.00 0.00 H new ATOM 0 HE ARG A 74 35.371 29.270 30.267 1.00 0.00 H new ATOM 0 HH11 ARG A 74 37.291 28.100 29.962 1.00 0.00 H new ATOM 0 HH12 ARG A 74 37.412 26.424 30.510 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.145 26.336 31.752 1.00 0.00 H new ATOM 0 HH22 ARG A 74 35.645 25.434 31.515 1.00 0.00 H new ATOM 1221 N GLY A 75 32.042 33.378 30.561 1.00 0.00 N ATOM 1222 CA GLY A 75 32.485 34.518 31.355 1.00 0.00 C ATOM 1223 C GLY A 75 33.694 34.152 32.208 1.00 0.00 C ATOM 1224 O GLY A 75 33.684 33.148 32.920 1.00 0.00 O ATOM 0 H GLY A 75 31.042 33.185 30.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.738 35.348 30.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.672 34.857 31.997 1.00 0.00 H new ATOM 1228 N GLY A 76 34.737 34.973 32.130 1.00 0.00 N ATOM 1229 CA GLY A 76 35.951 34.726 32.898 1.00 0.00 C ATOM 1230 C GLY A 76 37.085 35.633 32.431 1.00 0.00 C ATOM 1231 O GLY A 76 37.856 35.200 31.591 1.00 0.00 O ATOM 1232 OXT GLY A 76 37.165 36.747 32.921 1.00 0.00 O ATOM 0 H GLY A 76 34.766 35.809 31.547 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.757 34.896 33.957 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.247 33.682 32.792 1.00 0.00 H new TER 1236 GLY A 76