USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ -151:sc= -0.0429 (180deg=-0.54) USER MOD Set 1.2: A 12 THR OG1 : rot 60:sc= 0.496 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.36) USER MOD Single : A 2 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.6!) USER MOD Single : A 7 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.546 (180deg=0.112) USER MOD Single : A 14 THR OG1 : rot 23:sc= 0.407 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 : amide:sc= -2.73! K(o=-2.7!,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.183 (180deg=0.162) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.00967 (180deg=-0.198) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= -0.102 (180deg=-1.24) USER MOD Single : A 40 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0666 (180deg=-0.525) USER MOD Single : A 49 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.287 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.171 USER MOD Single : A 60 ASN : amide:sc= -0.319 K(o=-0.32,f=0.69) USER MOD Single : A 62 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.3!) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0383 (180deg=-0.481) USER MOD Single : A 68 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.386 28.318 2.014 1.00 0.00 N ATOM 2 CA MET A 1 27.050 28.904 2.317 1.00 0.00 C ATOM 3 C MET A 1 27.211 30.045 3.324 1.00 0.00 C ATOM 4 O MET A 1 28.218 30.157 3.994 1.00 0.00 O ATOM 5 CB MET A 1 26.141 27.824 2.909 1.00 0.00 C ATOM 6 CG MET A 1 25.676 26.882 1.797 1.00 0.00 C ATOM 7 SD MET A 1 24.512 27.750 0.716 1.00 0.00 S ATOM 8 CE MET A 1 24.349 26.450 -0.532 1.00 0.00 C ATOM 0 H1 MET A 1 28.274 27.521 1.356 1.00 0.00 H new ATOM 0 H2 MET A 1 28.993 29.043 1.580 1.00 0.00 H new ATOM 0 H3 MET A 1 28.825 27.981 2.895 1.00 0.00 H new ATOM 0 HA MET A 1 26.605 29.289 1.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.676 27.263 3.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.280 28.284 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.532 26.532 1.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.201 26.001 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.662 26.778 -1.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.325 26.243 -0.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.962 25.544 -0.065 1.00 0.00 H new ATOM 20 N GLN A 2 26.226 30.894 3.435 1.00 0.00 N ATOM 21 CA GLN A 2 26.323 32.028 4.399 1.00 0.00 C ATOM 22 C GLN A 2 25.977 31.534 5.806 1.00 0.00 C ATOM 23 O GLN A 2 24.846 31.618 6.243 1.00 0.00 O ATOM 24 CB GLN A 2 25.346 33.134 3.980 1.00 0.00 C ATOM 25 CG GLN A 2 24.039 32.507 3.490 1.00 0.00 C ATOM 26 CD GLN A 2 22.959 33.586 3.398 1.00 0.00 C ATOM 27 OE1 GLN A 2 23.223 34.748 3.629 1.00 0.00 O ATOM 28 NE2 GLN A 2 21.743 33.248 3.067 1.00 0.00 N ATOM 0 H GLN A 2 25.358 30.852 2.900 1.00 0.00 H new ATOM 0 HA GLN A 2 27.338 32.424 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.149 33.797 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.787 33.743 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.189 32.043 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.723 31.718 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.520 32.272 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 2 21.015 33.960 3.003 1.00 0.00 H new ATOM 37 N ILE A 3 26.941 31.025 6.524 1.00 0.00 N ATOM 38 CA ILE A 3 26.661 30.536 7.903 1.00 0.00 C ATOM 39 C ILE A 3 26.558 31.732 8.850 1.00 0.00 C ATOM 40 O ILE A 3 27.344 32.658 8.788 1.00 0.00 O ATOM 41 CB ILE A 3 27.792 29.608 8.361 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.142 30.221 7.983 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.646 28.246 7.681 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.263 29.475 8.709 1.00 0.00 C ATOM 0 H ILE A 3 27.908 30.927 6.216 1.00 0.00 H new ATOM 0 HA ILE A 3 25.722 29.983 7.911 1.00 0.00 H new ATOM 0 HB ILE A 3 27.738 29.482 9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.291 30.162 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.161 31.277 8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.451 27.588 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.686 27.806 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.697 28.372 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.225 29.912 8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.116 29.557 9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.248 28.424 8.419 1.00 0.00 H new ATOM 56 N PHE A 4 25.586 31.729 9.723 1.00 0.00 N ATOM 57 CA PHE A 4 25.421 32.869 10.674 1.00 0.00 C ATOM 58 C PHE A 4 26.139 32.555 11.988 1.00 0.00 C ATOM 59 O PHE A 4 26.261 31.414 12.385 1.00 0.00 O ATOM 60 CB PHE A 4 23.931 33.083 10.953 1.00 0.00 C ATOM 61 CG PHE A 4 23.237 33.512 9.682 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.650 32.551 8.849 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.181 34.867 9.337 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.007 32.949 7.670 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.537 35.263 8.159 1.00 0.00 C ATOM 66 CZ PHE A 4 21.951 34.304 7.325 1.00 0.00 C ATOM 0 H PHE A 4 24.896 30.984 9.819 1.00 0.00 H new ATOM 0 HA PHE A 4 25.849 33.770 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.485 32.163 11.331 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.800 33.841 11.725 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.693 31.505 9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.635 35.607 9.980 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.554 32.209 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.492 36.309 7.894 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.456 34.610 6.415 1.00 0.00 H new ATOM 76 N VAL A 5 26.609 33.568 12.671 1.00 0.00 N ATOM 77 CA VAL A 5 27.313 33.349 13.972 1.00 0.00 C ATOM 78 C VAL A 5 26.898 34.453 14.943 1.00 0.00 C ATOM 79 O VAL A 5 27.218 35.608 14.749 1.00 0.00 O ATOM 80 CB VAL A 5 28.827 33.408 13.748 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.549 33.169 15.075 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.236 32.327 12.744 1.00 0.00 C ATOM 0 H VAL A 5 26.535 34.543 12.382 1.00 0.00 H new ATOM 0 HA VAL A 5 27.049 32.374 14.381 1.00 0.00 H new ATOM 0 HB VAL A 5 29.098 34.389 13.358 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.626 33.211 14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.258 33.937 15.791 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.278 32.188 15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.313 32.368 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.964 31.346 13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.722 32.496 11.798 1.00 0.00 H new ATOM 92 N LYS A 6 26.181 34.113 15.985 1.00 0.00 N ATOM 93 CA LYS A 6 25.730 35.148 16.971 1.00 0.00 C ATOM 94 C LYS A 6 26.610 35.096 18.222 1.00 0.00 C ATOM 95 O LYS A 6 26.697 34.087 18.891 1.00 0.00 O ATOM 96 CB LYS A 6 24.278 34.865 17.367 1.00 0.00 C ATOM 97 CG LYS A 6 23.378 35.004 16.138 1.00 0.00 C ATOM 98 CD LYS A 6 21.924 34.741 16.537 1.00 0.00 C ATOM 99 CE LYS A 6 21.029 34.838 15.301 1.00 0.00 C ATOM 100 NZ LYS A 6 21.097 36.220 14.746 1.00 0.00 N ATOM 0 H LYS A 6 25.887 33.160 16.198 1.00 0.00 H new ATOM 0 HA LYS A 6 25.808 36.136 16.517 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.192 33.861 17.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.960 35.560 18.144 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.475 36.004 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.687 34.299 15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.833 33.753 16.988 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.605 35.465 17.287 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.349 34.117 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.000 34.590 15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.201 36.447 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.260 36.897 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.878 36.281 14.062 1.00 0.00 H new ATOM 114 N THR A 7 27.258 36.182 18.545 1.00 0.00 N ATOM 115 CA THR A 7 28.129 36.201 19.756 1.00 0.00 C ATOM 116 C THR A 7 27.269 36.465 20.994 1.00 0.00 C ATOM 117 O THR A 7 26.142 36.910 20.896 1.00 0.00 O ATOM 118 CB THR A 7 29.172 37.311 19.615 1.00 0.00 C ATOM 119 OG1 THR A 7 29.879 37.144 18.395 1.00 0.00 O ATOM 120 CG2 THR A 7 30.152 37.249 20.788 1.00 0.00 C ATOM 0 H THR A 7 27.222 37.057 18.023 1.00 0.00 H new ATOM 0 HA THR A 7 28.633 35.240 19.859 1.00 0.00 H new ATOM 0 HB THR A 7 28.672 38.279 19.615 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.411 37.621 17.678 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.894 38.041 20.685 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.608 37.381 21.724 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.653 36.281 20.793 1.00 0.00 H new ATOM 128 N LEU A 8 27.790 36.195 22.159 1.00 0.00 N ATOM 129 CA LEU A 8 27.005 36.428 23.403 1.00 0.00 C ATOM 130 C LEU A 8 26.663 37.917 23.521 1.00 0.00 C ATOM 131 O LEU A 8 25.617 38.287 24.017 1.00 0.00 O ATOM 132 CB LEU A 8 27.836 35.985 24.615 1.00 0.00 C ATOM 133 CG LEU A 8 27.075 36.259 25.922 1.00 0.00 C ATOM 134 CD1 LEU A 8 25.722 35.530 25.915 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.921 35.761 27.099 1.00 0.00 C ATOM 0 H LEU A 8 28.728 35.822 22.303 1.00 0.00 H new ATOM 0 HA LEU A 8 26.080 35.852 23.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.065 34.922 24.537 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.788 36.516 24.624 1.00 0.00 H new ATOM 0 HG LEU A 8 26.892 37.329 26.017 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.194 35.733 26.847 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.123 35.882 25.075 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.887 34.457 25.818 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.392 35.950 28.033 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.099 34.691 26.992 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.875 36.288 27.110 1.00 0.00 H new ATOM 147 N THR A 9 27.539 38.776 23.074 1.00 0.00 N ATOM 148 CA THR A 9 27.264 40.239 23.168 1.00 0.00 C ATOM 149 C THR A 9 26.306 40.658 22.051 1.00 0.00 C ATOM 150 O THR A 9 25.970 41.817 21.911 1.00 0.00 O ATOM 151 CB THR A 9 28.578 41.012 23.026 1.00 0.00 C ATOM 152 OG1 THR A 9 29.164 40.721 21.765 1.00 0.00 O ATOM 153 CG2 THR A 9 29.538 40.600 24.143 1.00 0.00 C ATOM 0 H THR A 9 28.432 38.528 22.648 1.00 0.00 H new ATOM 0 HA THR A 9 26.810 40.459 24.134 1.00 0.00 H new ATOM 0 HB THR A 9 28.379 42.081 23.096 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.004 41.217 21.673 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.473 41.151 24.041 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.088 40.824 25.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.738 39.531 24.075 1.00 0.00 H new ATOM 161 N GLY A 10 25.859 39.723 21.254 1.00 0.00 N ATOM 162 CA GLY A 10 24.920 40.064 20.144 1.00 0.00 C ATOM 163 C GLY A 10 25.715 40.364 18.873 1.00 0.00 C ATOM 164 O GLY A 10 25.189 40.338 17.779 1.00 0.00 O ATOM 0 H GLY A 10 26.104 38.735 21.324 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.233 39.236 19.968 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.315 40.928 20.419 1.00 0.00 H new ATOM 168 N LYS A 11 26.983 40.642 19.009 1.00 0.00 N ATOM 169 CA LYS A 11 27.811 40.939 17.804 1.00 0.00 C ATOM 170 C LYS A 11 27.658 39.788 16.808 1.00 0.00 C ATOM 171 O LYS A 11 28.406 38.830 16.828 1.00 0.00 O ATOM 172 CB LYS A 11 29.281 41.080 18.207 1.00 0.00 C ATOM 173 CG LYS A 11 30.108 41.482 16.984 1.00 0.00 C ATOM 174 CD LYS A 11 31.572 41.659 17.393 1.00 0.00 C ATOM 175 CE LYS A 11 32.400 42.050 16.168 1.00 0.00 C ATOM 176 NZ LYS A 11 33.823 42.232 16.568 1.00 0.00 N ATOM 0 H LYS A 11 27.481 40.676 19.899 1.00 0.00 H new ATOM 0 HA LYS A 11 27.480 41.872 17.348 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.384 41.830 18.992 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.649 40.139 18.615 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.025 40.720 16.209 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.723 42.410 16.560 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.656 42.427 18.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.955 40.734 17.824 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.322 41.279 15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.013 42.971 15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.278 42.916 15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.866 42.587 17.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.320 41.320 16.508 1.00 0.00 H new ATOM 190 N THR A 12 26.680 39.867 15.943 1.00 0.00 N ATOM 191 CA THR A 12 26.456 38.773 14.949 1.00 0.00 C ATOM 192 C THR A 12 27.155 39.114 13.632 1.00 0.00 C ATOM 193 O THR A 12 26.923 40.154 13.048 1.00 0.00 O ATOM 194 CB THR A 12 24.953 38.622 14.699 1.00 0.00 C ATOM 195 OG1 THR A 12 24.303 38.292 15.917 1.00 0.00 O ATOM 196 CG2 THR A 12 24.713 37.514 13.672 1.00 0.00 C ATOM 0 H THR A 12 26.024 40.645 15.882 1.00 0.00 H new ATOM 0 HA THR A 12 26.864 37.841 15.340 1.00 0.00 H new ATOM 0 HB THR A 12 24.552 39.560 14.316 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.463 39.000 16.575 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.643 37.408 13.495 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.212 37.770 12.737 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.113 36.574 14.051 1.00 0.00 H new ATOM 204 N ILE A 13 28.005 38.235 13.159 1.00 0.00 N ATOM 205 CA ILE A 13 28.734 38.474 11.874 1.00 0.00 C ATOM 206 C ILE A 13 28.338 37.389 10.870 1.00 0.00 C ATOM 207 O ILE A 13 27.930 36.306 11.246 1.00 0.00 O ATOM 208 CB ILE A 13 30.243 38.412 12.126 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.586 37.109 12.854 1.00 0.00 C ATOM 210 CG2 ILE A 13 30.665 39.602 12.989 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.105 36.994 13.002 1.00 0.00 C ATOM 0 H ILE A 13 28.227 37.350 13.615 1.00 0.00 H new ATOM 0 HA ILE A 13 28.475 39.456 11.478 1.00 0.00 H new ATOM 0 HB ILE A 13 30.772 38.447 11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.112 37.092 13.835 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.198 36.256 12.298 1.00 0.00 H new ATOM 0 HG21 ILE A 13 31.739 39.558 13.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.421 40.530 12.473 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.136 39.566 13.941 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.351 36.067 13.520 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.568 36.992 12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.480 37.841 13.577 1.00 0.00 H new ATOM 223 N THR A 14 28.461 37.668 9.594 1.00 0.00 N ATOM 224 CA THR A 14 28.100 36.656 8.549 1.00 0.00 C ATOM 225 C THR A 14 29.379 36.169 7.863 1.00 0.00 C ATOM 226 O THR A 14 30.184 36.956 7.406 1.00 0.00 O ATOM 227 CB THR A 14 27.185 37.308 7.509 1.00 0.00 C ATOM 228 OG1 THR A 14 27.849 38.423 6.931 1.00 0.00 O ATOM 229 CG2 THR A 14 25.894 37.774 8.184 1.00 0.00 C ATOM 0 H THR A 14 28.798 38.559 9.229 1.00 0.00 H new ATOM 0 HA THR A 14 27.585 35.814 9.012 1.00 0.00 H new ATOM 0 HB THR A 14 26.944 36.584 6.731 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.818 38.318 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.243 38.238 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.386 36.918 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.132 38.499 8.963 1.00 0.00 H new ATOM 237 N LEU A 15 29.568 34.872 7.788 1.00 0.00 N ATOM 238 CA LEU A 15 30.795 34.310 7.132 1.00 0.00 C ATOM 239 C LEU A 15 30.380 33.346 6.019 1.00 0.00 C ATOM 240 O LEU A 15 29.716 32.357 6.258 1.00 0.00 O ATOM 241 CB LEU A 15 31.621 33.547 8.172 1.00 0.00 C ATOM 242 CG LEU A 15 31.899 34.444 9.384 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.604 33.624 10.468 1.00 0.00 C ATOM 244 CD2 LEU A 15 32.795 35.622 8.971 1.00 0.00 C ATOM 0 H LEU A 15 28.921 34.174 8.155 1.00 0.00 H new ATOM 0 HA LEU A 15 31.388 35.123 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.086 32.652 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.561 33.217 7.730 1.00 0.00 H new ATOM 0 HG LEU A 15 30.955 34.831 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.804 34.258 11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.966 32.793 10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.545 33.237 10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 32.987 36.254 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.740 35.242 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.294 36.207 8.199 1.00 0.00 H new ATOM 256 N GLU A 16 30.772 33.624 4.800 1.00 0.00 N ATOM 257 CA GLU A 16 30.413 32.725 3.657 1.00 0.00 C ATOM 258 C GLU A 16 31.633 31.884 3.278 1.00 0.00 C ATOM 259 O GLU A 16 32.657 32.405 2.879 1.00 0.00 O ATOM 260 CB GLU A 16 29.992 33.576 2.457 1.00 0.00 C ATOM 261 CG GLU A 16 29.533 32.664 1.319 1.00 0.00 C ATOM 262 CD GLU A 16 29.063 33.518 0.138 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.129 34.732 0.248 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.643 32.944 -0.852 1.00 0.00 O ATOM 0 H GLU A 16 31.329 34.440 4.545 1.00 0.00 H new ATOM 0 HA GLU A 16 29.591 32.071 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.186 34.252 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.826 34.195 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.350 32.013 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 28.723 32.019 1.660 1.00 0.00 H new ATOM 271 N VAL A 17 31.537 30.587 3.397 1.00 0.00 N ATOM 272 CA VAL A 17 32.698 29.723 3.037 1.00 0.00 C ATOM 273 C VAL A 17 32.226 28.285 2.805 1.00 0.00 C ATOM 274 O VAL A 17 31.257 27.835 3.382 1.00 0.00 O ATOM 275 CB VAL A 17 33.723 29.751 4.171 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.043 29.374 5.487 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.844 28.753 3.873 1.00 0.00 C ATOM 0 H VAL A 17 30.709 30.090 3.726 1.00 0.00 H new ATOM 0 HA VAL A 17 33.156 30.099 2.122 1.00 0.00 H new ATOM 0 HB VAL A 17 34.142 30.754 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.775 29.395 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.246 30.086 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.622 28.372 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.574 28.774 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.425 27.750 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.332 29.023 2.937 1.00 0.00 H new ATOM 287 N GLU A 18 32.912 27.566 1.961 1.00 0.00 N ATOM 288 CA GLU A 18 32.521 26.154 1.679 1.00 0.00 C ATOM 289 C GLU A 18 32.299 25.402 3.009 1.00 0.00 C ATOM 290 O GLU A 18 33.245 25.143 3.725 1.00 0.00 O ATOM 291 CB GLU A 18 33.651 25.468 0.906 1.00 0.00 C ATOM 292 CG GLU A 18 33.745 26.058 -0.504 1.00 0.00 C ATOM 293 CD GLU A 18 34.275 27.490 -0.426 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.022 27.776 0.495 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.925 28.278 -1.288 1.00 0.00 O ATOM 0 H GLU A 18 33.731 27.896 1.451 1.00 0.00 H new ATOM 0 HA GLU A 18 31.602 26.142 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.597 25.602 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.467 24.395 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.405 25.448 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.764 26.048 -0.980 1.00 0.00 H new ATOM 302 N PRO A 19 31.075 25.046 3.348 1.00 0.00 N ATOM 303 CA PRO A 19 30.785 24.312 4.619 1.00 0.00 C ATOM 304 C PRO A 19 31.746 23.138 4.860 1.00 0.00 C ATOM 305 O PRO A 19 31.878 22.653 5.965 1.00 0.00 O ATOM 306 CB PRO A 19 29.351 23.805 4.422 1.00 0.00 C ATOM 307 CG PRO A 19 28.719 24.803 3.508 1.00 0.00 C ATOM 308 CD PRO A 19 29.836 25.298 2.581 1.00 0.00 C ATOM 0 HA PRO A 19 30.908 24.954 5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.340 22.806 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.818 23.744 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.910 24.350 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.286 25.629 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.837 24.759 1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.720 26.356 2.346 1.00 0.00 H new ATOM 316 N SER A 20 32.413 22.672 3.840 1.00 0.00 N ATOM 317 CA SER A 20 33.347 21.528 4.037 1.00 0.00 C ATOM 318 C SER A 20 34.623 22.025 4.723 1.00 0.00 C ATOM 319 O SER A 20 35.558 21.278 4.936 1.00 0.00 O ATOM 320 CB SER A 20 33.694 20.908 2.682 1.00 0.00 C ATOM 321 OG SER A 20 32.526 20.872 1.872 1.00 0.00 O ATOM 0 H SER A 20 32.353 23.030 2.887 1.00 0.00 H new ATOM 0 HA SER A 20 32.871 20.773 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.474 21.490 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.087 19.901 2.819 1.00 0.00 H new ATOM 0 HG SER A 20 32.743 20.477 1.002 1.00 0.00 H new ATOM 327 N ASP A 21 34.665 23.279 5.075 1.00 0.00 N ATOM 328 CA ASP A 21 35.866 23.823 5.752 1.00 0.00 C ATOM 329 C ASP A 21 35.998 23.164 7.130 1.00 0.00 C ATOM 330 O ASP A 21 35.045 22.637 7.670 1.00 0.00 O ATOM 331 CB ASP A 21 35.707 25.346 5.896 1.00 0.00 C ATOM 332 CG ASP A 21 36.316 26.057 4.682 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.059 25.617 3.574 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.029 27.026 4.885 1.00 0.00 O ATOM 0 H ASP A 21 33.913 23.951 4.921 1.00 0.00 H new ATOM 0 HA ASP A 21 36.764 23.613 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.651 25.602 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.196 25.686 6.809 1.00 0.00 H new ATOM 339 N THR A 22 37.172 23.184 7.699 1.00 0.00 N ATOM 340 CA THR A 22 37.365 22.551 9.036 1.00 0.00 C ATOM 341 C THR A 22 36.884 23.502 10.134 1.00 0.00 C ATOM 342 O THR A 22 36.604 24.661 9.892 1.00 0.00 O ATOM 343 CB THR A 22 38.850 22.245 9.243 1.00 0.00 C ATOM 344 OG1 THR A 22 39.585 23.460 9.261 1.00 0.00 O ATOM 345 CG2 THR A 22 39.354 21.356 8.105 1.00 0.00 C ATOM 0 H THR A 22 38.006 23.611 7.297 1.00 0.00 H new ATOM 0 HA THR A 22 36.789 21.627 9.083 1.00 0.00 H new ATOM 0 HB THR A 22 38.985 21.726 10.192 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.536 23.265 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.412 21.139 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.790 20.423 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.220 21.871 7.154 1.00 0.00 H new ATOM 353 N ILE A 23 36.801 23.023 11.344 1.00 0.00 N ATOM 354 CA ILE A 23 36.354 23.898 12.462 1.00 0.00 C ATOM 355 C ILE A 23 37.445 24.929 12.747 1.00 0.00 C ATOM 356 O ILE A 23 37.172 26.079 13.035 1.00 0.00 O ATOM 357 CB ILE A 23 36.114 23.051 13.716 1.00 0.00 C ATOM 358 CG1 ILE A 23 35.238 21.841 13.368 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.419 23.900 14.782 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.974 22.297 12.629 1.00 0.00 C ATOM 0 H ILE A 23 37.024 22.063 11.606 1.00 0.00 H new ATOM 0 HA ILE A 23 35.427 24.402 12.188 1.00 0.00 H new ATOM 0 HB ILE A 23 37.072 22.699 14.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.799 21.143 12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.963 21.308 14.278 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.249 23.297 15.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.049 24.753 15.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.464 24.257 14.397 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.361 21.429 12.388 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.406 22.977 13.264 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.255 22.810 11.709 1.00 0.00 H new ATOM 372 N GLU A 24 38.684 24.526 12.663 1.00 0.00 N ATOM 373 CA GLU A 24 39.799 25.478 12.921 1.00 0.00 C ATOM 374 C GLU A 24 39.721 26.619 11.909 1.00 0.00 C ATOM 375 O GLU A 24 40.195 27.712 12.151 1.00 0.00 O ATOM 376 CB GLU A 24 41.137 24.754 12.769 1.00 0.00 C ATOM 377 CG GLU A 24 41.083 23.421 13.515 1.00 0.00 C ATOM 378 CD GLU A 24 40.701 23.669 14.975 1.00 0.00 C ATOM 379 OE1 GLU A 24 41.600 23.861 15.777 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.517 23.663 15.267 1.00 0.00 O ATOM 0 H GLU A 24 38.971 23.576 12.426 1.00 0.00 H new ATOM 0 HA GLU A 24 39.718 25.874 13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.353 24.584 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.944 25.372 13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.356 22.758 13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.051 22.922 13.461 1.00 0.00 H new ATOM 387 N ASN A 25 39.111 26.377 10.782 1.00 0.00 N ATOM 388 CA ASN A 25 38.989 27.452 9.761 1.00 0.00 C ATOM 389 C ASN A 25 37.972 28.475 10.259 1.00 0.00 C ATOM 390 O ASN A 25 38.186 29.668 10.184 1.00 0.00 O ATOM 391 CB ASN A 25 38.511 26.854 8.437 1.00 0.00 C ATOM 392 CG ASN A 25 38.405 27.962 7.386 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.403 28.522 6.975 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.231 28.304 6.933 1.00 0.00 N ATOM 0 H ASN A 25 38.693 25.483 10.525 1.00 0.00 H new ATOM 0 HA ASN A 25 39.956 27.930 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.206 26.085 8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.543 26.372 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 25 37.149 29.042 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.394 27.834 7.278 1.00 0.00 H new ATOM 401 N VAL A 26 36.871 28.012 10.784 1.00 0.00 N ATOM 402 CA VAL A 26 35.850 28.958 11.304 1.00 0.00 C ATOM 403 C VAL A 26 36.447 29.705 12.495 1.00 0.00 C ATOM 404 O VAL A 26 36.623 30.906 12.460 1.00 0.00 O ATOM 405 CB VAL A 26 34.617 28.176 11.755 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.477 29.150 12.060 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.186 27.219 10.643 1.00 0.00 C ATOM 0 H VAL A 26 36.637 27.023 10.874 1.00 0.00 H new ATOM 0 HA VAL A 26 35.559 29.665 10.527 1.00 0.00 H new ATOM 0 HB VAL A 26 34.857 27.606 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.598 28.592 12.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.784 29.832 12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.236 29.721 11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.307 26.661 10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.946 27.789 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.997 26.524 10.426 1.00 0.00 H new ATOM 417 N LYS A 27 36.760 28.993 13.549 1.00 0.00 N ATOM 418 CA LYS A 27 37.352 29.638 14.758 1.00 0.00 C ATOM 419 C LYS A 27 38.399 30.672 14.336 1.00 0.00 C ATOM 420 O LYS A 27 38.663 31.627 15.038 1.00 0.00 O ATOM 421 CB LYS A 27 38.015 28.563 15.621 1.00 0.00 C ATOM 422 CG LYS A 27 36.940 27.649 16.209 1.00 0.00 C ATOM 423 CD LYS A 27 37.569 26.726 17.255 1.00 0.00 C ATOM 424 CE LYS A 27 36.474 25.891 17.924 1.00 0.00 C ATOM 425 NZ LYS A 27 37.084 25.015 18.964 1.00 0.00 N ATOM 0 H LYS A 27 36.629 27.984 13.623 1.00 0.00 H new ATOM 0 HA LYS A 27 36.567 30.138 15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.715 27.981 15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.591 29.028 16.422 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.150 28.246 16.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.478 27.058 15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.303 26.072 16.784 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.100 27.315 18.003 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.728 26.545 18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.958 25.285 17.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.367 24.353 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.873 24.480 18.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.438 25.601 19.747 1.00 0.00 H new ATOM 439 N ALA A 28 38.984 30.494 13.184 1.00 0.00 N ATOM 440 CA ALA A 28 39.998 31.476 12.711 1.00 0.00 C ATOM 441 C ALA A 28 39.300 32.816 12.451 1.00 0.00 C ATOM 442 O ALA A 28 39.655 33.833 13.012 1.00 0.00 O ATOM 443 CB ALA A 28 40.640 30.965 11.417 1.00 0.00 C ATOM 0 H ALA A 28 38.804 29.714 12.552 1.00 0.00 H new ATOM 0 HA ALA A 28 40.775 31.605 13.465 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.382 31.684 11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.123 30.006 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.872 30.841 10.654 1.00 0.00 H new ATOM 449 N LYS A 29 38.307 32.815 11.604 1.00 0.00 N ATOM 450 CA LYS A 29 37.579 34.079 11.300 1.00 0.00 C ATOM 451 C LYS A 29 37.114 34.731 12.608 1.00 0.00 C ATOM 452 O LYS A 29 36.935 35.925 12.686 1.00 0.00 O ATOM 453 CB LYS A 29 36.367 33.764 10.419 1.00 0.00 C ATOM 454 CG LYS A 29 36.833 33.506 8.978 1.00 0.00 C ATOM 455 CD LYS A 29 35.788 32.671 8.241 1.00 0.00 C ATOM 456 CE LYS A 29 36.277 32.368 6.823 1.00 0.00 C ATOM 457 NZ LYS A 29 36.267 33.621 6.017 1.00 0.00 N ATOM 0 H LYS A 29 37.968 31.991 11.108 1.00 0.00 H new ATOM 0 HA LYS A 29 38.241 34.766 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.841 32.890 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.662 34.595 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.987 34.453 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 29 37.791 32.986 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 29 35.606 31.741 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.840 33.208 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.284 31.951 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.636 31.619 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.366 33.386 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.370 34.124 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.058 34.229 6.310 1.00 0.00 H new ATOM 471 N ILE A 30 36.918 33.951 13.633 1.00 0.00 N ATOM 472 CA ILE A 30 36.471 34.530 14.932 1.00 0.00 C ATOM 473 C ILE A 30 37.701 35.058 15.690 1.00 0.00 C ATOM 474 O ILE A 30 37.839 36.242 15.912 1.00 0.00 O ATOM 475 CB ILE A 30 35.762 33.430 15.748 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.319 33.272 15.250 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.734 33.802 17.236 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.314 33.064 13.735 1.00 0.00 C ATOM 0 H ILE A 30 37.047 32.939 13.629 1.00 0.00 H new ATOM 0 HA ILE A 30 35.776 35.354 14.769 1.00 0.00 H new ATOM 0 HB ILE A 30 36.309 32.496 15.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.845 32.424 15.744 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.737 34.157 15.507 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.230 33.016 17.798 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.754 33.913 17.602 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.197 34.742 17.366 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.287 32.952 13.386 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.771 33.925 13.248 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.880 32.166 13.489 1.00 0.00 H new ATOM 490 N GLN A 31 38.571 34.178 16.097 1.00 0.00 N ATOM 491 CA GLN A 31 39.786 34.585 16.858 1.00 0.00 C ATOM 492 C GLN A 31 40.374 35.894 16.305 1.00 0.00 C ATOM 493 O GLN A 31 40.711 36.789 17.048 1.00 0.00 O ATOM 494 CB GLN A 31 40.827 33.472 16.747 1.00 0.00 C ATOM 495 CG GLN A 31 41.949 33.730 17.745 1.00 0.00 C ATOM 496 CD GLN A 31 43.116 32.781 17.464 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.060 31.985 16.547 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.179 32.832 18.218 1.00 0.00 N ATOM 0 H GLN A 31 38.490 33.175 15.932 1.00 0.00 H new ATOM 0 HA GLN A 31 39.512 34.751 17.900 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.365 32.505 16.944 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.228 33.433 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.283 34.765 17.672 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.585 33.584 18.762 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.227 33.500 18.988 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.963 32.204 18.038 1.00 0.00 H new ATOM 507 N ASP A 32 40.507 36.008 15.014 1.00 0.00 N ATOM 508 CA ASP A 32 41.088 37.258 14.435 1.00 0.00 C ATOM 509 C ASP A 32 40.117 38.433 14.616 1.00 0.00 C ATOM 510 O ASP A 32 40.470 39.477 15.127 1.00 0.00 O ATOM 511 CB ASP A 32 41.356 37.048 12.943 1.00 0.00 C ATOM 512 CG ASP A 32 41.989 38.311 12.354 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.114 38.611 12.717 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.334 38.958 11.552 1.00 0.00 O ATOM 0 H ASP A 32 40.241 35.295 14.334 1.00 0.00 H new ATOM 0 HA ASP A 32 42.020 37.487 14.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.019 36.195 12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.425 36.819 12.424 1.00 0.00 H new ATOM 519 N LYS A 33 38.906 38.270 14.170 1.00 0.00 N ATOM 520 CA LYS A 33 37.904 39.369 14.277 1.00 0.00 C ATOM 521 C LYS A 33 37.676 39.758 15.747 1.00 0.00 C ATOM 522 O LYS A 33 37.520 40.922 16.063 1.00 0.00 O ATOM 523 CB LYS A 33 36.593 38.901 13.647 1.00 0.00 C ATOM 524 CG LYS A 33 36.631 39.062 12.115 1.00 0.00 C ATOM 525 CD LYS A 33 37.976 38.597 11.524 1.00 0.00 C ATOM 526 CE LYS A 33 37.823 38.389 10.015 1.00 0.00 C ATOM 527 NZ LYS A 33 36.881 37.261 9.763 1.00 0.00 N ATOM 0 H LYS A 33 38.562 37.416 13.732 1.00 0.00 H new ATOM 0 HA LYS A 33 38.276 40.249 13.752 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.415 37.857 13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 33 35.762 39.476 14.057 1.00 0.00 H new ATOM 0 HG2 LYS A 33 35.820 38.487 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.462 40.107 11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.749 39.339 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.294 37.669 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.450 39.300 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.793 38.174 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.258 36.657 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.772 36.699 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.955 37.639 9.477 1.00 0.00 H new ATOM 541 N GLU A 34 37.647 38.810 16.649 1.00 0.00 N ATOM 542 CA GLU A 34 37.417 39.147 18.090 1.00 0.00 C ATOM 543 C GLU A 34 38.759 39.258 18.829 1.00 0.00 C ATOM 544 O GLU A 34 38.858 39.897 19.857 1.00 0.00 O ATOM 545 CB GLU A 34 36.565 38.047 18.735 1.00 0.00 C ATOM 546 CG GLU A 34 35.463 37.618 17.764 1.00 0.00 C ATOM 547 CD GLU A 34 34.650 38.842 17.340 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.015 39.456 16.351 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.678 39.145 18.011 1.00 0.00 O ATOM 0 H GLU A 34 37.772 37.817 16.452 1.00 0.00 H new ATOM 0 HA GLU A 34 36.898 40.103 18.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.190 37.192 18.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.125 38.411 19.663 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.902 37.139 16.889 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.813 36.883 18.238 1.00 0.00 H new ATOM 556 N GLY A 35 39.787 38.639 18.316 1.00 0.00 N ATOM 557 CA GLY A 35 41.114 38.713 18.999 1.00 0.00 C ATOM 558 C GLY A 35 41.045 37.948 20.320 1.00 0.00 C ATOM 559 O GLY A 35 41.890 38.088 21.180 1.00 0.00 O ATOM 0 H GLY A 35 39.768 38.087 17.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.889 38.289 18.360 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.385 39.753 19.181 1.00 0.00 H new ATOM 563 N ILE A 36 40.029 37.145 20.488 1.00 0.00 N ATOM 564 CA ILE A 36 39.865 36.368 21.741 1.00 0.00 C ATOM 565 C ILE A 36 40.486 34.968 21.565 1.00 0.00 C ATOM 566 O ILE A 36 40.276 34.331 20.552 1.00 0.00 O ATOM 567 CB ILE A 36 38.374 36.238 22.008 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.768 37.639 22.043 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.146 35.550 23.350 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.277 37.539 22.325 1.00 0.00 C ATOM 0 H ILE A 36 39.296 36.995 19.795 1.00 0.00 H new ATOM 0 HA ILE A 36 40.362 36.867 22.573 1.00 0.00 H new ATOM 0 HB ILE A 36 37.906 35.643 21.224 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.255 38.238 22.812 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.936 38.144 21.092 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.076 35.460 23.535 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.596 34.557 23.331 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.603 36.140 24.144 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.844 38.539 22.350 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.797 36.955 21.540 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.121 37.051 23.287 1.00 0.00 H new ATOM 582 N PRO A 37 41.234 34.473 22.532 1.00 0.00 N ATOM 583 CA PRO A 37 41.858 33.117 22.434 1.00 0.00 C ATOM 584 C PRO A 37 40.834 31.997 22.726 1.00 0.00 C ATOM 585 O PRO A 37 40.133 32.056 23.716 1.00 0.00 O ATOM 586 CB PRO A 37 42.935 33.156 23.525 1.00 0.00 C ATOM 587 CG PRO A 37 42.378 34.065 24.568 1.00 0.00 C ATOM 588 CD PRO A 37 41.574 35.130 23.813 1.00 0.00 C ATOM 0 HA PRO A 37 42.247 32.903 21.438 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.128 32.162 23.927 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.881 33.532 23.135 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.743 33.517 25.264 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.175 34.521 25.155 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.679 35.421 24.363 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.159 36.036 23.655 1.00 0.00 H new ATOM 596 N PRO A 38 40.736 30.984 21.889 1.00 0.00 N ATOM 597 CA PRO A 38 39.777 29.862 22.102 1.00 0.00 C ATOM 598 C PRO A 38 39.644 29.451 23.574 1.00 0.00 C ATOM 599 O PRO A 38 38.562 29.213 24.070 1.00 0.00 O ATOM 600 CB PRO A 38 40.387 28.738 21.284 1.00 0.00 C ATOM 601 CG PRO A 38 40.972 29.442 20.113 1.00 0.00 C ATOM 602 CD PRO A 38 41.509 30.777 20.648 1.00 0.00 C ATOM 0 HA PRO A 38 38.763 30.133 21.808 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.147 28.197 21.848 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.636 28.009 20.980 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.770 28.853 19.662 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.221 29.605 19.340 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.580 30.729 20.845 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.351 31.588 19.937 1.00 0.00 H new ATOM 610 N ASP A 39 40.744 29.353 24.267 1.00 0.00 N ATOM 611 CA ASP A 39 40.699 28.942 25.700 1.00 0.00 C ATOM 612 C ASP A 39 39.755 29.856 26.488 1.00 0.00 C ATOM 613 O ASP A 39 39.469 29.608 27.643 1.00 0.00 O ATOM 614 CB ASP A 39 42.104 29.030 26.297 1.00 0.00 C ATOM 615 CG ASP A 39 42.119 28.360 27.673 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.850 27.172 27.734 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.399 29.047 28.641 1.00 0.00 O ATOM 0 H ASP A 39 41.678 29.541 23.901 1.00 0.00 H new ATOM 0 HA ASP A 39 40.332 27.917 25.762 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.822 28.544 25.637 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.408 30.073 26.386 1.00 0.00 H new ATOM 622 N GLN A 40 39.271 30.913 25.880 1.00 0.00 N ATOM 623 CA GLN A 40 38.349 31.853 26.592 1.00 0.00 C ATOM 624 C GLN A 40 36.940 31.741 25.999 1.00 0.00 C ATOM 625 O GLN A 40 36.055 32.501 26.336 1.00 0.00 O ATOM 626 CB GLN A 40 38.866 33.282 26.408 1.00 0.00 C ATOM 627 CG GLN A 40 40.047 33.526 27.352 1.00 0.00 C ATOM 628 CD GLN A 40 39.532 33.679 28.784 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.740 32.816 29.613 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.865 34.752 29.113 1.00 0.00 N ATOM 0 H GLN A 40 39.477 31.166 24.914 1.00 0.00 H new ATOM 0 HA GLN A 40 38.312 31.602 27.652 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.175 33.437 25.374 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.069 33.997 26.613 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.750 32.695 27.294 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.588 34.423 27.051 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.690 35.477 28.417 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.519 34.865 30.066 1.00 0.00 H new ATOM 639 N GLN A 41 36.726 30.808 25.108 1.00 0.00 N ATOM 640 CA GLN A 41 35.381 30.668 24.492 1.00 0.00 C ATOM 641 C GLN A 41 35.122 29.220 24.064 1.00 0.00 C ATOM 642 O GLN A 41 36.022 28.495 23.690 1.00 0.00 O ATOM 643 CB GLN A 41 35.308 31.570 23.265 1.00 0.00 C ATOM 644 CG GLN A 41 36.525 31.328 22.371 1.00 0.00 C ATOM 645 CD GLN A 41 36.458 32.258 21.157 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.648 33.161 21.113 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.280 32.070 20.161 1.00 0.00 N ATOM 0 H GLN A 41 37.425 30.140 24.783 1.00 0.00 H new ATOM 0 HA GLN A 41 34.627 30.952 25.226 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.392 31.370 22.709 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.273 32.615 23.572 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.443 31.508 22.931 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.550 30.288 22.045 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.961 31.311 20.198 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.242 32.682 19.346 1.00 0.00 H new ATOM 656 N ARG A 42 33.877 28.812 24.097 1.00 0.00 N ATOM 657 CA ARG A 42 33.498 27.432 23.674 1.00 0.00 C ATOM 658 C ARG A 42 32.304 27.564 22.733 1.00 0.00 C ATOM 659 O ARG A 42 31.408 28.346 22.980 1.00 0.00 O ATOM 660 CB ARG A 42 33.099 26.609 24.901 1.00 0.00 C ATOM 661 CG ARG A 42 34.351 26.248 25.711 1.00 0.00 C ATOM 662 CD ARG A 42 35.193 25.179 24.985 1.00 0.00 C ATOM 663 NE ARG A 42 36.211 25.851 24.126 1.00 0.00 N ATOM 664 CZ ARG A 42 37.079 25.135 23.465 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.969 25.722 22.714 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.056 23.834 23.555 1.00 0.00 N ATOM 0 H ARG A 42 33.095 29.390 24.405 1.00 0.00 H new ATOM 0 HA ARG A 42 34.331 26.932 23.179 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.404 27.176 25.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.581 25.702 24.590 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.954 27.142 25.873 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.058 25.879 26.694 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.684 24.532 25.711 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.549 24.544 24.376 1.00 0.00 H new ATOM 0 HE ARG A 42 36.229 26.868 24.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.986 26.739 22.644 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.648 25.164 22.197 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.359 23.376 24.142 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.735 23.275 23.038 1.00 0.00 H new ATOM 680 N LEU A 43 32.270 26.839 21.647 1.00 0.00 N ATOM 681 CA LEU A 43 31.115 26.984 20.713 1.00 0.00 C ATOM 682 C LEU A 43 29.983 26.043 21.112 1.00 0.00 C ATOM 683 O LEU A 43 30.197 24.890 21.426 1.00 0.00 O ATOM 684 CB LEU A 43 31.549 26.646 19.292 1.00 0.00 C ATOM 685 CG LEU A 43 32.826 27.406 18.920 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.022 27.296 17.416 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.696 28.882 19.296 1.00 0.00 C ATOM 0 H LEU A 43 32.980 26.162 21.368 1.00 0.00 H new ATOM 0 HA LEU A 43 30.766 28.015 20.763 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.720 25.573 19.204 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.752 26.900 18.593 1.00 0.00 H new ATOM 0 HG LEU A 43 33.674 26.980 19.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.927 27.831 17.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.116 26.246 17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 32.164 27.732 16.904 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.611 29.408 19.025 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.853 29.321 18.761 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.530 28.971 20.370 1.00 0.00 H new ATOM 699 N ILE A 44 28.773 26.537 21.061 1.00 0.00 N ATOM 700 CA ILE A 44 27.573 25.707 21.399 1.00 0.00 C ATOM 701 C ILE A 44 26.710 25.602 20.139 1.00 0.00 C ATOM 702 O ILE A 44 26.448 26.587 19.474 1.00 0.00 O ATOM 703 CB ILE A 44 26.767 26.388 22.534 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.332 25.993 23.909 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.290 25.941 22.480 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.851 26.149 23.936 1.00 0.00 C ATOM 0 H ILE A 44 28.560 27.498 20.795 1.00 0.00 H new ATOM 0 HA ILE A 44 27.876 24.716 21.738 1.00 0.00 H new ATOM 0 HB ILE A 44 26.843 27.467 22.396 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.884 26.615 24.684 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.064 24.961 24.135 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.734 26.426 23.282 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.860 26.222 21.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.233 24.859 22.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.229 25.864 24.918 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.296 25.507 23.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.114 27.187 23.733 1.00 0.00 H new ATOM 718 N PHE A 45 26.269 24.423 19.798 1.00 0.00 N ATOM 719 CA PHE A 45 25.429 24.254 18.580 1.00 0.00 C ATOM 720 C PHE A 45 24.394 23.144 18.834 1.00 0.00 C ATOM 721 O PHE A 45 24.701 21.971 18.785 1.00 0.00 O ATOM 722 CB PHE A 45 26.349 23.880 17.401 1.00 0.00 C ATOM 723 CG PHE A 45 25.580 23.116 16.341 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.327 23.573 15.925 1.00 0.00 C ATOM 725 CD2 PHE A 45 26.122 21.950 15.788 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.612 22.865 14.952 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.409 21.241 14.816 1.00 0.00 C ATOM 728 CZ PHE A 45 24.153 21.698 14.397 1.00 0.00 C ATOM 0 H PHE A 45 26.456 23.564 20.315 1.00 0.00 H new ATOM 0 HA PHE A 45 24.899 25.177 18.343 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.777 24.784 16.966 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.181 23.275 17.761 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.910 24.472 16.354 1.00 0.00 H new ATOM 0 HD2 PHE A 45 27.090 21.598 16.112 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.644 23.218 14.629 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.827 20.341 14.389 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.602 21.151 13.646 1.00 0.00 H new ATOM 738 N ALA A 46 23.166 23.515 19.082 1.00 0.00 N ATOM 739 CA ALA A 46 22.096 22.499 19.314 1.00 0.00 C ATOM 740 C ALA A 46 22.391 21.655 20.560 1.00 0.00 C ATOM 741 O ALA A 46 22.082 20.481 20.605 1.00 0.00 O ATOM 742 CB ALA A 46 21.992 21.585 18.088 1.00 0.00 C ATOM 0 H ALA A 46 22.855 24.485 19.134 1.00 0.00 H new ATOM 0 HA ALA A 46 21.153 23.022 19.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.212 20.842 18.253 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.745 22.181 17.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.945 21.081 17.928 1.00 0.00 H new ATOM 748 N GLY A 47 22.967 22.235 21.579 1.00 0.00 N ATOM 749 CA GLY A 47 23.250 21.449 22.818 1.00 0.00 C ATOM 750 C GLY A 47 24.535 20.632 22.653 1.00 0.00 C ATOM 751 O GLY A 47 24.922 19.891 23.534 1.00 0.00 O ATOM 0 H GLY A 47 23.253 23.214 21.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.347 22.123 23.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.414 20.783 23.032 1.00 0.00 H new ATOM 755 N LYS A 48 25.203 20.769 21.535 1.00 0.00 N ATOM 756 CA LYS A 48 26.475 20.012 21.300 1.00 0.00 C ATOM 757 C LYS A 48 27.581 21.010 20.963 1.00 0.00 C ATOM 758 O LYS A 48 27.331 22.030 20.363 1.00 0.00 O ATOM 759 CB LYS A 48 26.286 19.052 20.130 1.00 0.00 C ATOM 760 CG LYS A 48 25.222 18.014 20.486 1.00 0.00 C ATOM 761 CD LYS A 48 25.051 17.038 19.319 1.00 0.00 C ATOM 762 CE LYS A 48 23.962 16.019 19.661 1.00 0.00 C ATOM 763 NZ LYS A 48 24.381 15.223 20.848 1.00 0.00 N ATOM 0 H LYS A 48 24.920 21.378 20.767 1.00 0.00 H new ATOM 0 HA LYS A 48 26.742 19.444 22.192 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.987 19.603 19.239 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.228 18.556 19.897 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.513 17.473 21.387 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.275 18.508 20.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.784 17.581 18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.992 16.526 19.118 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.022 16.531 19.867 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.787 15.359 18.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.826 14.345 20.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.392 14.990 20.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.219 15.777 21.713 1.00 0.00 H new ATOM 777 N GLN A 49 28.804 20.728 21.333 1.00 0.00 N ATOM 778 CA GLN A 49 29.926 21.661 21.027 1.00 0.00 C ATOM 779 C GLN A 49 30.739 21.103 19.856 1.00 0.00 C ATOM 780 O GLN A 49 30.538 19.980 19.438 1.00 0.00 O ATOM 781 CB GLN A 49 30.822 21.792 22.251 1.00 0.00 C ATOM 782 CG GLN A 49 29.964 22.034 23.493 1.00 0.00 C ATOM 783 CD GLN A 49 30.869 22.208 24.715 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.095 21.273 25.457 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.402 23.374 24.956 1.00 0.00 N ATOM 0 H GLN A 49 29.074 19.884 21.838 1.00 0.00 H new ATOM 0 HA GLN A 49 29.528 22.641 20.762 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.416 20.887 22.378 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.522 22.616 22.115 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.348 22.922 23.354 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.285 21.196 23.647 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.213 24.160 24.334 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.008 23.500 25.767 1.00 0.00 H new ATOM 794 N LEU A 50 31.661 21.873 19.328 1.00 0.00 N ATOM 795 CA LEU A 50 32.501 21.388 18.185 1.00 0.00 C ATOM 796 C LEU A 50 33.931 21.151 18.676 1.00 0.00 C ATOM 797 O LEU A 50 34.490 21.954 19.395 1.00 0.00 O ATOM 798 CB LEU A 50 32.516 22.449 17.082 1.00 0.00 C ATOM 799 CG LEU A 50 31.084 22.902 16.777 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.113 23.973 15.685 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.252 21.704 16.300 1.00 0.00 C ATOM 0 H LEU A 50 31.869 22.821 19.641 1.00 0.00 H new ATOM 0 HA LEU A 50 32.087 20.459 17.794 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.118 23.302 17.394 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.979 22.044 16.182 1.00 0.00 H new ATOM 0 HG LEU A 50 30.634 23.314 17.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.096 24.297 15.466 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.700 24.826 16.027 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.564 23.561 14.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.235 22.030 16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.699 21.287 15.397 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.231 20.942 17.079 1.00 0.00 H new ATOM 813 N GLU A 51 34.528 20.053 18.294 1.00 0.00 N ATOM 814 CA GLU A 51 35.924 19.758 18.739 1.00 0.00 C ATOM 815 C GLU A 51 36.914 20.256 17.684 1.00 0.00 C ATOM 816 O GLU A 51 36.568 20.448 16.535 1.00 0.00 O ATOM 817 CB GLU A 51 36.089 18.247 18.917 1.00 0.00 C ATOM 818 CG GLU A 51 35.077 17.741 19.947 1.00 0.00 C ATOM 819 CD GLU A 51 35.398 18.340 21.316 1.00 0.00 C ATOM 820 OE1 GLU A 51 36.526 18.765 21.506 1.00 0.00 O ATOM 821 OE2 GLU A 51 34.511 18.366 22.153 1.00 0.00 O ATOM 0 H GLU A 51 34.109 19.345 17.691 1.00 0.00 H new ATOM 0 HA GLU A 51 36.119 20.263 19.685 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.939 17.739 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.103 18.017 19.244 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.067 18.017 19.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.108 16.653 19.998 1.00 0.00 H new ATOM 828 N ASP A 52 38.145 20.466 18.065 1.00 0.00 N ATOM 829 CA ASP A 52 39.157 20.951 17.085 1.00 0.00 C ATOM 830 C ASP A 52 39.283 19.944 15.939 1.00 0.00 C ATOM 831 O ASP A 52 39.116 18.755 16.124 1.00 0.00 O ATOM 832 CB ASP A 52 40.511 21.103 17.782 1.00 0.00 C ATOM 833 CG ASP A 52 40.471 22.314 18.718 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.536 23.089 18.610 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.377 22.444 19.524 1.00 0.00 O ATOM 0 H ASP A 52 38.493 20.322 19.013 1.00 0.00 H new ATOM 0 HA ASP A 52 38.843 21.916 16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.744 20.201 18.347 1.00 0.00 H new ATOM 0 HB3 ASP A 52 41.301 21.228 17.042 1.00 0.00 H new ATOM 840 N GLY A 53 39.576 20.412 14.757 1.00 0.00 N ATOM 841 CA GLY A 53 39.708 19.481 13.600 1.00 0.00 C ATOM 842 C GLY A 53 38.320 19.016 13.166 1.00 0.00 C ATOM 843 O GLY A 53 37.317 19.572 13.565 1.00 0.00 O ATOM 0 H GLY A 53 39.730 21.397 14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.212 19.980 12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.322 18.624 13.877 1.00 0.00 H new ATOM 847 N ARG A 54 38.249 17.997 12.350 1.00 0.00 N ATOM 848 CA ARG A 54 36.922 17.497 11.890 1.00 0.00 C ATOM 849 C ARG A 54 36.317 18.500 10.900 1.00 0.00 C ATOM 850 O ARG A 54 36.665 19.665 10.894 1.00 0.00 O ATOM 851 CB ARG A 54 35.990 17.312 13.108 1.00 0.00 C ATOM 852 CG ARG A 54 35.011 16.145 12.866 1.00 0.00 C ATOM 853 CD ARG A 54 35.672 14.812 13.237 1.00 0.00 C ATOM 854 NE ARG A 54 34.675 13.714 13.105 1.00 0.00 N ATOM 855 CZ ARG A 54 34.983 12.503 13.485 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.109 11.541 13.368 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.162 12.257 13.984 1.00 0.00 N ATOM 0 H ARG A 54 39.054 17.490 11.983 1.00 0.00 H new ATOM 0 HA ARG A 54 37.041 16.535 11.391 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.583 17.117 14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.432 18.231 13.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 34.108 16.289 13.460 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.705 16.129 11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.526 14.623 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.052 14.853 14.258 1.00 0.00 H new ATOM 0 HE ARG A 54 33.751 13.908 12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.186 11.735 12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.349 10.595 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.843 13.010 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.403 11.311 14.281 1.00 0.00 H new ATOM 871 N THR A 55 35.409 18.050 10.066 1.00 0.00 N ATOM 872 CA THR A 55 34.761 18.956 9.063 1.00 0.00 C ATOM 873 C THR A 55 33.248 18.980 9.308 1.00 0.00 C ATOM 874 O THR A 55 32.715 18.146 10.011 1.00 0.00 O ATOM 875 CB THR A 55 35.040 18.423 7.656 1.00 0.00 C ATOM 876 OG1 THR A 55 36.444 18.354 7.448 1.00 0.00 O ATOM 877 CG2 THR A 55 34.416 19.356 6.618 1.00 0.00 C ATOM 0 H THR A 55 35.086 17.083 10.037 1.00 0.00 H new ATOM 0 HA THR A 55 35.162 19.965 9.160 1.00 0.00 H new ATOM 0 HB THR A 55 34.606 17.429 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.625 18.011 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.617 18.973 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.339 19.409 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.847 20.352 6.719 1.00 0.00 H new ATOM 885 N LEU A 56 32.553 19.922 8.729 1.00 0.00 N ATOM 886 CA LEU A 56 31.077 19.980 8.932 1.00 0.00 C ATOM 887 C LEU A 56 30.434 18.760 8.268 1.00 0.00 C ATOM 888 O LEU A 56 29.576 18.111 8.839 1.00 0.00 O ATOM 889 CB LEU A 56 30.522 21.270 8.312 1.00 0.00 C ATOM 890 CG LEU A 56 31.380 22.469 8.744 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.694 23.776 8.329 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.567 22.455 10.268 1.00 0.00 C ATOM 0 H LEU A 56 32.940 20.649 8.128 1.00 0.00 H new ATOM 0 HA LEU A 56 30.849 19.975 9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.517 21.188 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.489 21.419 8.626 1.00 0.00 H new ATOM 0 HG LEU A 56 32.354 22.400 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.307 24.623 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.570 23.794 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.717 23.842 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 56 32.176 23.308 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.594 22.516 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 32.064 21.532 10.565 1.00 0.00 H new ATOM 904 N SER A 57 30.865 18.411 7.085 1.00 0.00 N ATOM 905 CA SER A 57 30.291 17.205 6.427 1.00 0.00 C ATOM 906 C SER A 57 30.636 16.001 7.302 1.00 0.00 C ATOM 907 O SER A 57 29.803 15.171 7.606 1.00 0.00 O ATOM 908 CB SER A 57 30.907 17.030 5.039 1.00 0.00 C ATOM 909 OG SER A 57 32.313 16.856 5.167 1.00 0.00 O ATOM 0 H SER A 57 31.582 18.904 6.552 1.00 0.00 H new ATOM 0 HA SER A 57 29.211 17.304 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.466 16.167 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.692 17.901 4.420 1.00 0.00 H new ATOM 0 HG SER A 57 32.711 16.742 4.279 1.00 0.00 H new ATOM 915 N ASP A 58 31.871 15.919 7.711 1.00 0.00 N ATOM 916 CA ASP A 58 32.301 14.788 8.580 1.00 0.00 C ATOM 917 C ASP A 58 31.336 14.675 9.764 1.00 0.00 C ATOM 918 O ASP A 58 31.034 13.595 10.229 1.00 0.00 O ATOM 919 CB ASP A 58 33.718 15.051 9.095 1.00 0.00 C ATOM 920 CG ASP A 58 34.196 13.848 9.910 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.596 12.793 9.781 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.154 14.002 10.649 1.00 0.00 O ATOM 0 H ASP A 58 32.604 16.589 7.480 1.00 0.00 H new ATOM 0 HA ASP A 58 32.293 13.859 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.393 15.228 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.731 15.950 9.711 1.00 0.00 H new ATOM 927 N TYR A 59 30.842 15.786 10.250 1.00 0.00 N ATOM 928 CA TYR A 59 29.888 15.738 11.396 1.00 0.00 C ATOM 929 C TYR A 59 28.533 15.230 10.890 1.00 0.00 C ATOM 930 O TYR A 59 27.690 14.815 11.659 1.00 0.00 O ATOM 931 CB TYR A 59 29.727 17.150 11.994 1.00 0.00 C ATOM 932 CG TYR A 59 30.789 17.399 13.046 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.743 18.411 12.864 1.00 0.00 C ATOM 934 CD2 TYR A 59 30.811 16.621 14.211 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.717 18.639 13.844 1.00 0.00 C ATOM 936 CE2 TYR A 59 31.785 16.851 15.189 1.00 0.00 C ATOM 937 CZ TYR A 59 32.737 17.860 15.007 1.00 0.00 C ATOM 938 OH TYR A 59 33.696 18.086 15.973 1.00 0.00 O ATOM 0 H TYR A 59 31.058 16.721 9.903 1.00 0.00 H new ATOM 0 HA TYR A 59 30.267 15.068 12.168 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.805 17.898 11.205 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.736 17.255 12.436 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.726 19.014 11.968 1.00 0.00 H new ATOM 0 HD2 TYR A 59 30.076 15.843 14.354 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.453 19.416 13.702 1.00 0.00 H new ATOM 0 HE2 TYR A 59 31.802 16.249 16.085 1.00 0.00 H new ATOM 0 HH TYR A 59 33.567 17.459 16.715 1.00 0.00 H new ATOM 948 N ASN A 60 28.323 15.260 9.602 1.00 0.00 N ATOM 949 CA ASN A 60 27.029 14.776 9.040 1.00 0.00 C ATOM 950 C ASN A 60 25.871 15.572 9.645 1.00 0.00 C ATOM 951 O ASN A 60 25.001 15.026 10.294 1.00 0.00 O ATOM 952 CB ASN A 60 26.854 13.289 9.365 1.00 0.00 C ATOM 953 CG ASN A 60 25.753 12.697 8.481 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.593 13.024 8.633 1.00 0.00 O ATOM 955 ND2 ASN A 60 26.072 11.833 7.556 1.00 0.00 N ATOM 0 H ASN A 60 28.994 15.600 8.913 1.00 0.00 H new ATOM 0 HA ASN A 60 27.033 14.914 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.791 12.758 9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.597 13.164 10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.347 11.432 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.046 11.559 7.429 1.00 0.00 H new ATOM 962 N ILE A 61 25.848 16.860 9.432 1.00 0.00 N ATOM 963 CA ILE A 61 24.743 17.687 9.991 1.00 0.00 C ATOM 964 C ILE A 61 23.414 17.220 9.393 1.00 0.00 C ATOM 965 O ILE A 61 23.290 17.041 8.197 1.00 0.00 O ATOM 966 CB ILE A 61 24.974 19.157 9.637 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.270 19.639 10.291 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.803 19.996 10.148 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.657 21.003 9.716 1.00 0.00 C ATOM 0 H ILE A 61 26.547 17.374 8.895 1.00 0.00 H new ATOM 0 HA ILE A 61 24.716 17.578 11.075 1.00 0.00 H new ATOM 0 HB ILE A 61 25.050 19.263 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.139 19.712 11.371 1.00 0.00 H new ATOM 0 HG13 ILE A 61 27.069 18.918 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.968 21.043 9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.879 19.652 9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.726 19.892 11.230 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.581 21.346 10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.805 20.915 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.862 21.721 9.916 1.00 0.00 H new ATOM 981 N GLN A 62 22.421 17.018 10.213 1.00 0.00 N ATOM 982 CA GLN A 62 21.103 16.556 9.689 1.00 0.00 C ATOM 983 C GLN A 62 20.551 17.588 8.703 1.00 0.00 C ATOM 984 O GLN A 62 20.135 17.255 7.610 1.00 0.00 O ATOM 985 CB GLN A 62 20.123 16.390 10.852 1.00 0.00 C ATOM 986 CG GLN A 62 20.544 15.197 11.714 1.00 0.00 C ATOM 987 CD GLN A 62 21.839 15.535 12.455 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.964 16.597 13.030 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.814 14.668 12.466 1.00 0.00 N ATOM 0 H GLN A 62 22.464 17.152 11.223 1.00 0.00 H new ATOM 0 HA GLN A 62 21.231 15.601 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.102 17.298 11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.113 16.237 10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.757 14.955 12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.690 14.316 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.709 13.776 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.682 14.882 12.958 1.00 0.00 H new ATOM 998 N LYS A 63 20.523 18.836 9.085 1.00 0.00 N ATOM 999 CA LYS A 63 19.977 19.882 8.175 1.00 0.00 C ATOM 1000 C LYS A 63 20.853 20.001 6.925 1.00 0.00 C ATOM 1001 O LYS A 63 20.393 20.428 5.886 1.00 0.00 O ATOM 1002 CB LYS A 63 19.952 21.227 8.905 1.00 0.00 C ATOM 1003 CG LYS A 63 18.908 21.183 10.023 1.00 0.00 C ATOM 1004 CD LYS A 63 18.885 22.525 10.755 1.00 0.00 C ATOM 1005 CE LYS A 63 17.806 22.498 11.840 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.139 21.450 12.845 1.00 0.00 N ATOM 0 H LYS A 63 20.855 19.176 9.988 1.00 0.00 H new ATOM 0 HA LYS A 63 18.966 19.603 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.936 21.445 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.717 22.028 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.924 20.967 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.142 20.380 10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.859 22.724 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.686 23.332 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.737 23.472 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.832 22.294 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.602 21.624 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.890 20.514 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.158 21.480 13.053 1.00 0.00 H new ATOM 1020 N GLU A 64 22.107 19.626 7.019 1.00 0.00 N ATOM 1021 CA GLU A 64 23.035 19.710 5.843 1.00 0.00 C ATOM 1022 C GLU A 64 22.749 20.966 5.013 1.00 0.00 C ATOM 1023 O GLU A 64 22.721 20.927 3.798 1.00 0.00 O ATOM 1024 CB GLU A 64 22.897 18.454 4.965 1.00 0.00 C ATOM 1025 CG GLU A 64 21.458 18.292 4.458 1.00 0.00 C ATOM 1026 CD GLU A 64 21.417 17.192 3.396 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.457 16.609 3.136 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.347 16.952 2.860 1.00 0.00 O ATOM 0 H GLU A 64 22.533 19.261 7.871 1.00 0.00 H new ATOM 0 HA GLU A 64 24.057 19.770 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.579 18.522 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.186 17.572 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.795 18.039 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.100 19.232 4.038 1.00 0.00 H new HETATM 1035 N SEP A 65 22.542 22.079 5.660 1.00 0.00 N HETATM 1036 CA SEP A 65 22.263 23.339 4.913 1.00 0.00 C HETATM 1037 CB SEP A 65 20.789 23.376 4.507 1.00 0.00 C HETATM 1038 OG SEP A 65 20.417 22.112 3.973 1.00 0.00 O HETATM 1039 C SEP A 65 22.575 24.535 5.814 1.00 0.00 C HETATM 1040 O SEP A 65 23.488 24.497 6.615 1.00 0.00 O HETATM 1041 P SEP A 65 18.946 21.819 3.642 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.824 20.256 3.643 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.121 22.505 4.783 1.00 0.00 O HETATM 1044 O3P SEP A 65 18.704 22.458 2.231 1.00 0.00 O HETATM 0 HB3 SEP A 65 20.168 23.616 5.370 1.00 0.00 H new HETATM 0 HB2 SEP A 65 20.623 24.159 3.767 1.00 0.00 H new HETATM 0 HA SEP A 65 22.884 23.381 4.018 1.00 0.00 H new HETATM 1049 N TPO A 66 21.822 25.597 5.699 1.00 0.00 N HETATM 1050 CA TPO A 66 22.081 26.787 6.558 1.00 0.00 C HETATM 1051 CB TPO A 66 20.921 27.776 6.424 1.00 0.00 C HETATM 1052 CG2 TPO A 66 20.704 28.114 4.949 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.741 27.195 6.959 1.00 0.00 O HETATM 1054 P TPO A 66 18.437 28.007 7.005 1.00 0.00 P HETATM 1055 O1P TPO A 66 17.769 27.793 5.604 1.00 0.00 O HETATM 1056 O2P TPO A 66 18.879 29.488 7.261 1.00 0.00 O HETATM 1057 O3P TPO A 66 17.609 27.394 8.186 1.00 0.00 O HETATM 1058 C TPO A 66 22.201 26.335 8.015 1.00 0.00 C HETATM 1059 O TPO A 66 21.626 25.340 8.412 1.00 0.00 O HETATM 0 HG23 TPO A 66 21.610 28.561 4.541 1.00 0.00 H new HETATM 0 HG22 TPO A 66 20.469 27.203 4.398 1.00 0.00 H new HETATM 0 HG21 TPO A 66 19.878 28.818 4.855 1.00 0.00 H new HETATM 0 HB TPO A 66 21.156 28.689 6.972 1.00 0.00 H new HETATM 0 HA TPO A 66 23.006 27.272 6.246 1.00 0.00 H new HETATM 0 H TPO A 66 20.969 25.546 5.143 1.00 0.00 H new ATOM 1066 N LEU A 67 22.946 27.048 8.817 1.00 0.00 N ATOM 1067 CA LEU A 67 23.097 26.639 10.243 1.00 0.00 C ATOM 1068 C LEU A 67 23.478 27.856 11.093 1.00 0.00 C ATOM 1069 O LEU A 67 24.075 28.800 10.614 1.00 0.00 O ATOM 1070 CB LEU A 67 24.190 25.565 10.348 1.00 0.00 C ATOM 1071 CG LEU A 67 24.029 24.761 11.655 1.00 0.00 C ATOM 1072 CD1 LEU A 67 22.953 23.676 11.493 1.00 0.00 C ATOM 1073 CD2 LEU A 67 25.359 24.091 12.013 1.00 0.00 C ATOM 0 H LEU A 67 23.454 27.891 8.548 1.00 0.00 H new ATOM 0 HA LEU A 67 22.154 26.234 10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.133 24.894 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.174 26.034 10.321 1.00 0.00 H new ATOM 0 HG LEU A 67 23.729 25.447 12.447 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.854 23.120 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.000 24.143 11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.241 22.994 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.244 23.524 12.936 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.656 23.418 11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.126 24.854 12.149 1.00 0.00 H new ATOM 1085 N HIS A 68 23.126 27.833 12.356 1.00 0.00 N ATOM 1086 CA HIS A 68 23.446 28.978 13.269 1.00 0.00 C ATOM 1087 C HIS A 68 24.408 28.514 14.364 1.00 0.00 C ATOM 1088 O HIS A 68 24.233 27.469 14.958 1.00 0.00 O ATOM 1089 CB HIS A 68 22.154 29.481 13.916 1.00 0.00 C ATOM 1090 CG HIS A 68 21.258 30.064 12.860 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.436 29.277 12.066 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.043 31.359 12.452 1.00 0.00 C ATOM 1093 CE1 HIS A 68 19.771 30.095 11.230 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.105 31.371 11.425 1.00 0.00 N ATOM 0 H HIS A 68 22.625 27.062 12.799 1.00 0.00 H new ATOM 0 HA HIS A 68 23.911 29.779 12.694 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.647 28.662 14.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.382 30.234 14.671 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.527 32.232 12.865 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.056 29.760 10.493 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.748 32.185 10.926 1.00 0.00 H new ATOM 1103 N LEU A 69 25.420 29.302 14.645 1.00 0.00 N ATOM 1104 CA LEU A 69 26.410 28.947 15.714 1.00 0.00 C ATOM 1105 C LEU A 69 26.369 30.046 16.780 1.00 0.00 C ATOM 1106 O LEU A 69 26.103 31.194 16.477 1.00 0.00 O ATOM 1107 CB LEU A 69 27.825 28.881 15.104 1.00 0.00 C ATOM 1108 CG LEU A 69 28.095 27.488 14.512 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.195 27.238 13.288 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.569 27.408 14.096 1.00 0.00 C ATOM 0 H LEU A 69 25.604 30.187 14.173 1.00 0.00 H new ATOM 0 HA LEU A 69 26.165 27.979 16.152 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.927 29.638 14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.568 29.107 15.869 1.00 0.00 H new ATOM 0 HG LEU A 69 27.874 26.728 15.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.400 26.247 12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.149 27.298 13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.399 27.991 12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.775 26.424 13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.779 28.174 13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.202 27.568 14.968 1.00 0.00 H new ATOM 1122 N VAL A 70 26.631 29.716 18.021 1.00 0.00 N ATOM 1123 CA VAL A 70 26.610 30.751 19.103 1.00 0.00 C ATOM 1124 C VAL A 70 27.852 30.586 19.979 1.00 0.00 C ATOM 1125 O VAL A 70 28.095 29.532 20.531 1.00 0.00 O ATOM 1126 CB VAL A 70 25.357 30.563 19.960 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.330 31.622 21.064 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.113 30.711 19.083 1.00 0.00 C ATOM 0 H VAL A 70 26.859 28.772 18.333 1.00 0.00 H new ATOM 0 HA VAL A 70 26.602 31.747 18.659 1.00 0.00 H new ATOM 0 HB VAL A 70 25.370 29.570 20.409 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.437 31.488 21.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.217 31.518 21.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.317 32.615 20.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.220 30.577 19.693 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.100 31.704 18.634 1.00 0.00 H new ATOM 0 HG23 VAL A 70 24.131 29.957 18.296 1.00 0.00 H new ATOM 1138 N LEU A 71 28.649 31.613 20.103 1.00 0.00 N ATOM 1139 CA LEU A 71 29.882 31.508 20.932 1.00 0.00 C ATOM 1140 C LEU A 71 29.510 31.675 22.405 1.00 0.00 C ATOM 1141 O LEU A 71 28.591 32.396 22.741 1.00 0.00 O ATOM 1142 CB LEU A 71 30.858 32.623 20.530 1.00 0.00 C ATOM 1143 CG LEU A 71 31.564 32.267 19.217 1.00 0.00 C ATOM 1144 CD1 LEU A 71 30.535 31.849 18.162 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.340 33.485 18.709 1.00 0.00 C ATOM 0 H LEU A 71 28.498 32.522 19.665 1.00 0.00 H new ATOM 0 HA LEU A 71 30.349 30.536 20.776 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.319 33.564 20.417 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.596 32.771 21.319 1.00 0.00 H new ATOM 0 HG LEU A 71 32.250 31.439 19.397 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.047 31.598 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.982 30.980 18.518 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.842 32.671 17.984 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.842 33.233 17.775 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.650 34.311 18.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.081 33.780 19.452 1.00 0.00 H new ATOM 1157 N ARG A 72 30.220 31.019 23.288 1.00 0.00 N ATOM 1158 CA ARG A 72 29.923 31.133 24.751 1.00 0.00 C ATOM 1159 C ARG A 72 31.232 31.417 25.491 1.00 0.00 C ATOM 1160 O ARG A 72 32.303 31.176 24.975 1.00 0.00 O ATOM 1161 CB ARG A 72 29.338 29.809 25.249 1.00 0.00 C ATOM 1162 CG ARG A 72 28.670 30.021 26.610 1.00 0.00 C ATOM 1163 CD ARG A 72 28.078 28.699 27.101 1.00 0.00 C ATOM 1164 NE ARG A 72 27.266 28.944 28.326 1.00 0.00 N ATOM 1165 CZ ARG A 72 27.855 29.071 29.485 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.143 29.287 30.557 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.153 28.983 29.569 1.00 0.00 N ATOM 0 H ARG A 72 31.000 30.404 23.057 1.00 0.00 H new ATOM 0 HA ARG A 72 29.209 31.937 24.930 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.611 29.428 24.531 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.126 29.060 25.332 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.398 30.395 27.330 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.886 30.774 26.529 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.457 28.255 26.323 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.876 27.988 27.317 1.00 0.00 H new ATOM 0 HE ARG A 72 26.250 29.013 28.260 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.128 29.356 30.489 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.602 29.386 31.463 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.708 28.815 28.730 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.613 29.082 30.474 1.00 0.00 H new ATOM 1181 N LEU A 73 31.165 31.924 26.695 1.00 0.00 N ATOM 1182 CA LEU A 73 32.416 32.212 27.458 1.00 0.00 C ATOM 1183 C LEU A 73 32.758 31.004 28.335 1.00 0.00 C ATOM 1184 O LEU A 73 31.907 30.451 29.001 1.00 0.00 O ATOM 1185 CB LEU A 73 32.199 33.444 28.346 1.00 0.00 C ATOM 1186 CG LEU A 73 32.302 34.718 27.502 1.00 0.00 C ATOM 1187 CD1 LEU A 73 31.329 34.635 26.322 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.950 35.928 28.370 1.00 0.00 C ATOM 0 H LEU A 73 30.298 32.151 27.183 1.00 0.00 H new ATOM 0 HA LEU A 73 33.234 32.405 26.764 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.221 33.391 28.823 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.942 33.464 29.143 1.00 0.00 H new ATOM 0 HG LEU A 73 33.319 34.822 27.123 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.405 35.543 25.723 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.578 33.772 25.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.311 34.531 26.697 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.022 36.837 27.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.933 35.821 28.748 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.644 35.988 29.208 1.00 0.00 H new ATOM 1200 N ARG A 74 33.996 30.589 28.340 1.00 0.00 N ATOM 1201 CA ARG A 74 34.381 29.416 29.175 1.00 0.00 C ATOM 1202 C ARG A 74 34.073 29.716 30.643 1.00 0.00 C ATOM 1203 O ARG A 74 33.537 28.890 31.356 1.00 0.00 O ATOM 1204 CB ARG A 74 35.878 29.142 29.014 1.00 0.00 C ATOM 1205 CG ARG A 74 36.220 27.794 29.648 1.00 0.00 C ATOM 1206 CD ARG A 74 37.739 27.655 29.773 1.00 0.00 C ATOM 1207 NE ARG A 74 38.234 28.569 30.840 1.00 0.00 N ATOM 1208 CZ ARG A 74 39.509 28.623 31.113 1.00 0.00 C ATOM 1209 NH1 ARG A 74 39.944 29.422 32.048 1.00 0.00 N ATOM 1210 NH2 ARG A 74 40.350 27.877 30.451 1.00 0.00 N ATOM 0 H ARG A 74 34.755 31.010 27.804 1.00 0.00 H new ATOM 0 HA ARG A 74 33.816 28.540 28.855 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.146 29.138 27.958 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.457 29.936 29.487 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.756 27.715 30.631 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.819 26.983 29.040 1.00 0.00 H new ATOM 0 HD2 ARG A 74 38.002 26.624 30.011 1.00 0.00 H new ATOM 0 HD3 ARG A 74 38.216 27.895 28.823 1.00 0.00 H new ATOM 0 HE ARG A 74 37.576 29.153 31.357 1.00 0.00 H new ATOM 0 HH11 ARG A 74 39.287 30.005 32.567 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.941 29.463 32.261 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.011 27.252 29.720 1.00 0.00 H new ATOM 0 HH22 ARG A 74 41.347 27.919 30.664 1.00 0.00 H new ATOM 1224 N GLY A 75 34.409 30.890 31.102 1.00 0.00 N ATOM 1225 CA GLY A 75 34.135 31.242 32.525 1.00 0.00 C ATOM 1226 C GLY A 75 34.225 32.757 32.704 1.00 0.00 C ATOM 1227 O GLY A 75 34.014 33.279 33.781 1.00 0.00 O ATOM 0 H GLY A 75 34.862 31.621 30.554 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.145 30.890 32.813 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.853 30.745 33.178 1.00 0.00 H new ATOM 1231 N GLY A 76 34.540 33.471 31.657 1.00 0.00 N ATOM 1232 CA GLY A 76 34.643 34.953 31.771 1.00 0.00 C ATOM 1233 C GLY A 76 35.715 35.314 32.800 1.00 0.00 C ATOM 1234 O GLY A 76 35.577 36.349 33.432 1.00 0.00 O ATOM 1235 OXT GLY A 76 36.653 34.547 32.943 1.00 0.00 O ATOM 0 H GLY A 76 34.730 33.092 30.729 1.00 0.00 H new ATOM 0 HA2 GLY A 76 34.893 35.386 30.803 1.00 0.00 H new ATOM 0 HA3 GLY A 76 33.682 35.373 32.069 1.00 0.00 H new TER 1239 GLY A 76