USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.464 (180deg=-1.97!) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= -0.528 (180deg=-2.37!) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.42 (180deg=-1.03) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 21 MET CE :methyl 176:sc= -0.477 (180deg=-0.546) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.218 F(o=-8.3!,f=-0.22) USER MOD Single : A 30 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 34 CYS SG : rot 74:sc= -3.72! USER MOD Single : A 35 HIS : no HE2:sc= -8.62! C(o=-8.6!,f=-11!) USER MOD Single : A 37 SER OG : rot -78:sc= -6.75! USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -1.85 (180deg=-2.3!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.727 F(o=-2.4!,f=-0.73) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc=-0.00529 (180deg=-0.173) USER MOD Single : A 54 ASN : amide:sc= -0.0288 K(o=-0.029,f=-6.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 68 THR OG1 : rot 57:sc= -1.68! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0206 (180deg=-0.555) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.242 -3.550 22.103 1.00 0.00 N ATOM 2 CA MET A 1 -2.853 -4.003 21.859 1.00 0.00 C ATOM 3 C MET A 1 -1.886 -2.839 22.027 1.00 0.00 C ATOM 4 O MET A 1 -2.255 -1.693 21.857 1.00 0.00 O ATOM 5 CB MET A 1 -2.723 -4.544 20.425 1.00 0.00 C ATOM 6 CG MET A 1 -3.310 -3.523 19.448 1.00 0.00 C ATOM 7 SD MET A 1 -3.676 -4.091 17.769 1.00 0.00 S ATOM 8 CE MET A 1 -4.900 -2.821 17.366 1.00 0.00 C ATOM 0 H1 MET A 1 -4.896 -4.099 21.508 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.483 -3.693 23.105 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.324 -2.540 21.867 1.00 0.00 H new ATOM 0 HA MET A 1 -2.615 -4.788 22.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.676 -4.732 20.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.246 -5.496 20.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.232 -3.135 19.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.614 -2.687 19.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.269 -2.980 16.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.731 -2.881 18.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.438 -1.836 17.433 1.00 0.00 H new ATOM 17 N ALA A 2 -0.661 -3.151 22.357 1.00 0.00 N ATOM 18 CA ALA A 2 0.341 -2.073 22.540 1.00 0.00 C ATOM 19 C ALA A 2 1.757 -2.637 22.511 1.00 0.00 C ATOM 20 O ALA A 2 2.395 -2.766 23.535 1.00 0.00 O ATOM 21 CB ALA A 2 0.107 -1.418 23.909 1.00 0.00 C ATOM 0 H ALA A 2 -0.317 -4.100 22.506 1.00 0.00 H new ATOM 0 HA ALA A 2 0.232 -1.350 21.732 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.836 -0.622 24.061 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.899 -1.001 23.945 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.218 -2.166 24.694 1.00 0.00 H new ATOM 27 N LYS A 3 2.224 -2.962 21.338 1.00 0.00 N ATOM 28 CA LYS A 3 3.595 -3.516 21.232 1.00 0.00 C ATOM 29 C LYS A 3 4.605 -2.401 20.990 1.00 0.00 C ATOM 30 O LYS A 3 4.297 -1.410 20.359 1.00 0.00 O ATOM 31 CB LYS A 3 3.635 -4.491 20.044 1.00 0.00 C ATOM 32 CG LYS A 3 5.036 -5.105 19.946 1.00 0.00 C ATOM 33 CD LYS A 3 5.219 -6.127 21.075 1.00 0.00 C ATOM 34 CE LYS A 3 5.421 -7.519 20.469 1.00 0.00 C ATOM 35 NZ LYS A 3 6.396 -7.464 19.344 1.00 0.00 N ATOM 0 H LYS A 3 1.718 -2.868 20.457 1.00 0.00 H new ATOM 0 HA LYS A 3 3.850 -4.025 22.161 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.889 -5.275 20.176 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.388 -3.968 19.120 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.168 -5.588 18.978 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.794 -4.325 20.019 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.078 -5.857 21.690 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.346 -6.125 21.728 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.780 -8.207 21.235 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.467 -7.908 20.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.877 -8.382 19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.893 -7.251 18.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.099 -6.721 19.530 1.00 0.00 H new ATOM 49 N LYS A 4 5.793 -2.580 21.500 1.00 0.00 N ATOM 50 CA LYS A 4 6.835 -1.538 21.306 1.00 0.00 C ATOM 51 C LYS A 4 6.307 -0.160 21.703 1.00 0.00 C ATOM 52 O LYS A 4 5.822 0.581 20.871 1.00 0.00 O ATOM 53 CB LYS A 4 7.216 -1.506 19.818 1.00 0.00 C ATOM 54 CG LYS A 4 8.365 -2.485 19.569 1.00 0.00 C ATOM 55 CD LYS A 4 8.242 -3.051 18.152 1.00 0.00 C ATOM 56 CE LYS A 4 9.329 -4.107 17.937 1.00 0.00 C ATOM 57 NZ LYS A 4 9.592 -4.851 19.200 1.00 0.00 N ATOM 0 H LYS A 4 6.084 -3.396 22.038 1.00 0.00 H new ATOM 0 HA LYS A 4 7.696 -1.777 21.930 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.356 -1.774 19.205 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.513 -0.498 19.528 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.323 -1.979 19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.336 -3.293 20.300 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.256 -3.492 18.008 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.344 -2.252 17.418 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.019 -4.802 17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.246 -3.629 17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.146 -5.706 18.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.126 -4.245 19.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.688 -5.122 19.638 1.00 0.00 H new ATOM 71 N ASP A 5 6.409 0.160 22.969 1.00 0.00 N ATOM 72 CA ASP A 5 5.915 1.486 23.424 1.00 0.00 C ATOM 73 C ASP A 5 6.171 1.695 24.912 1.00 0.00 C ATOM 74 O ASP A 5 6.116 0.766 25.693 1.00 0.00 O ATOM 75 CB ASP A 5 4.400 1.548 23.178 1.00 0.00 C ATOM 76 CG ASP A 5 3.815 0.136 23.267 1.00 0.00 C ATOM 77 OD1 ASP A 5 3.076 -0.202 22.357 1.00 0.00 O ATOM 78 OD2 ASP A 5 4.139 -0.525 24.240 1.00 0.00 O ATOM 0 H ASP A 5 6.808 -0.434 23.696 1.00 0.00 H new ATOM 0 HA ASP A 5 6.443 2.262 22.870 1.00 0.00 H new ATOM 0 HB2 ASP A 5 3.927 2.197 23.914 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.196 1.977 22.197 1.00 0.00 H new ATOM 83 N VAL A 6 6.445 2.918 25.275 1.00 0.00 N ATOM 84 CA VAL A 6 6.709 3.221 26.704 1.00 0.00 C ATOM 85 C VAL A 6 5.396 3.274 27.478 1.00 0.00 C ATOM 86 O VAL A 6 4.335 3.187 26.891 1.00 0.00 O ATOM 87 CB VAL A 6 7.389 4.600 26.778 1.00 0.00 C ATOM 88 CG1 VAL A 6 6.336 5.693 26.576 1.00 0.00 C ATOM 89 CG2 VAL A 6 8.044 4.774 28.149 1.00 0.00 C ATOM 0 H VAL A 6 6.497 3.717 24.643 1.00 0.00 H new ATOM 0 HA VAL A 6 7.344 2.448 27.137 1.00 0.00 H new ATOM 0 HB VAL A 6 8.150 4.674 26.001 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.813 6.672 26.628 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.866 5.569 25.600 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.578 5.617 27.356 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.525 5.751 28.201 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.284 4.702 28.927 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.790 3.993 28.297 1.00 0.00 H new ATOM 99 N ILE A 7 5.486 3.414 28.784 1.00 0.00 N ATOM 100 CA ILE A 7 4.246 3.474 29.600 1.00 0.00 C ATOM 101 C ILE A 7 3.961 4.903 30.034 1.00 0.00 C ATOM 102 O ILE A 7 4.573 5.404 30.957 1.00 0.00 O ATOM 103 CB ILE A 7 4.445 2.610 30.842 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.779 1.182 30.434 1.00 0.00 C ATOM 105 CG2 ILE A 7 3.130 2.598 31.644 1.00 0.00 C ATOM 106 CD1 ILE A 7 3.786 0.719 29.364 1.00 0.00 C ATOM 0 H ILE A 7 6.359 3.488 29.307 1.00 0.00 H new ATOM 0 HA ILE A 7 3.406 3.114 29.006 1.00 0.00 H new ATOM 0 HB ILE A 7 5.261 3.015 31.441 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.797 1.130 30.049 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.732 0.523 31.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.254 1.984 32.536 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.873 3.616 31.936 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.332 2.185 31.028 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.021 -0.303 29.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.774 0.757 29.766 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.856 1.373 28.495 1.00 0.00 H new ATOM 118 N GLU A 8 3.034 5.535 29.356 1.00 0.00 N ATOM 119 CA GLU A 8 2.688 6.936 29.710 1.00 0.00 C ATOM 120 C GLU A 8 1.375 6.993 30.474 1.00 0.00 C ATOM 121 O GLU A 8 0.343 6.596 29.971 1.00 0.00 O ATOM 122 CB GLU A 8 2.549 7.741 28.411 1.00 0.00 C ATOM 123 CG GLU A 8 1.420 7.151 27.583 1.00 0.00 C ATOM 124 CD GLU A 8 1.694 7.398 26.097 1.00 0.00 C ATOM 125 OE1 GLU A 8 0.799 7.934 25.465 1.00 0.00 O ATOM 126 OE2 GLU A 8 2.783 7.039 25.679 1.00 0.00 O ATOM 0 H GLU A 8 2.507 5.139 28.577 1.00 0.00 H new ATOM 0 HA GLU A 8 3.473 7.350 30.343 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.344 8.787 28.637 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.483 7.713 27.849 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.334 6.081 27.775 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.470 7.603 27.869 1.00 0.00 H new ATOM 133 N LEU A 9 1.445 7.482 31.686 1.00 0.00 N ATOM 134 CA LEU A 9 0.217 7.583 32.522 1.00 0.00 C ATOM 135 C LEU A 9 0.117 8.961 33.153 1.00 0.00 C ATOM 136 O LEU A 9 1.091 9.676 33.237 1.00 0.00 O ATOM 137 CB LEU A 9 0.309 6.537 33.642 1.00 0.00 C ATOM 138 CG LEU A 9 -0.102 5.171 33.091 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.426 4.077 34.020 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.629 5.088 33.033 1.00 0.00 C ATOM 0 H LEU A 9 2.301 7.815 32.130 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.660 7.414 31.897 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.326 6.494 34.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.340 6.818 34.472 1.00 0.00 H new ATOM 0 HG LEU A 9 0.311 5.038 32.091 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.136 3.100 33.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.513 4.138 34.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.005 4.212 35.017 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.926 4.115 32.641 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.039 5.215 34.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.012 5.874 32.382 1.00 0.00 H new ATOM 152 N GLU A 10 -1.060 9.315 33.587 1.00 0.00 N ATOM 153 CA GLU A 10 -1.224 10.649 34.213 1.00 0.00 C ATOM 154 C GLU A 10 -0.935 10.585 35.701 1.00 0.00 C ATOM 155 O GLU A 10 -1.383 9.686 36.384 1.00 0.00 O ATOM 156 CB GLU A 10 -2.678 11.107 34.015 1.00 0.00 C ATOM 157 CG GLU A 10 -2.953 11.279 32.523 1.00 0.00 C ATOM 158 CD GLU A 10 -3.231 9.910 31.900 1.00 0.00 C ATOM 159 OE1 GLU A 10 -2.521 9.589 30.962 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.138 9.264 32.397 1.00 0.00 O ATOM 0 H GLU A 10 -1.904 8.744 33.535 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.526 11.346 33.748 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.364 10.374 34.441 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.850 12.047 34.539 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.806 11.940 32.373 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.098 11.747 32.035 1.00 0.00 H new ATOM 167 N GLY A 11 -0.193 11.542 36.182 1.00 0.00 N ATOM 168 CA GLY A 11 0.133 11.548 37.630 1.00 0.00 C ATOM 169 C GLY A 11 0.212 12.980 38.122 1.00 0.00 C ATOM 170 O GLY A 11 0.481 13.879 37.350 1.00 0.00 O ATOM 0 H GLY A 11 0.198 12.312 35.640 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.628 11.002 38.188 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.082 11.040 37.803 1.00 0.00 H new ATOM 174 N THR A 12 -0.021 13.169 39.394 1.00 0.00 N ATOM 175 CA THR A 12 0.037 14.542 39.947 1.00 0.00 C ATOM 176 C THR A 12 1.306 14.748 40.746 1.00 0.00 C ATOM 177 O THR A 12 1.613 13.982 41.638 1.00 0.00 O ATOM 178 CB THR A 12 -1.165 14.742 40.869 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.269 14.209 40.166 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.489 16.236 41.022 1.00 0.00 C ATOM 0 H THR A 12 -0.247 12.435 40.065 1.00 0.00 H new ATOM 0 HA THR A 12 0.023 15.258 39.125 1.00 0.00 H new ATOM 0 HB THR A 12 -0.966 14.291 41.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.080 14.305 40.708 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.348 16.356 41.682 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.629 16.753 41.447 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.720 16.660 40.045 1.00 0.00 H new ATOM 188 N VAL A 13 2.020 15.790 40.428 1.00 0.00 N ATOM 189 CA VAL A 13 3.279 16.048 41.177 1.00 0.00 C ATOM 190 C VAL A 13 2.995 16.212 42.650 1.00 0.00 C ATOM 191 O VAL A 13 2.170 17.019 43.041 1.00 0.00 O ATOM 192 CB VAL A 13 3.918 17.333 40.658 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.317 17.479 41.266 1.00 0.00 C ATOM 194 CG2 VAL A 13 4.034 17.249 39.149 1.00 0.00 C ATOM 0 H VAL A 13 1.792 16.463 39.696 1.00 0.00 H new ATOM 0 HA VAL A 13 3.950 15.201 41.033 1.00 0.00 H new ATOM 0 HB VAL A 13 3.307 18.192 40.935 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.779 18.395 40.899 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.239 17.522 42.352 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.929 16.624 40.980 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.490 18.163 38.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.654 16.394 38.879 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.042 17.129 38.714 1.00 0.00 H new ATOM 204 N SER A 14 3.697 15.449 43.448 1.00 0.00 N ATOM 205 CA SER A 14 3.487 15.535 44.912 1.00 0.00 C ATOM 206 C SER A 14 4.539 16.394 45.618 1.00 0.00 C ATOM 207 O SER A 14 4.212 17.135 46.523 1.00 0.00 O ATOM 208 CB SER A 14 3.563 14.113 45.483 1.00 0.00 C ATOM 209 OG SER A 14 2.450 14.029 46.361 1.00 0.00 O ATOM 0 H SER A 14 4.401 14.776 43.145 1.00 0.00 H new ATOM 0 HA SER A 14 2.517 16.003 45.083 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.505 13.364 44.694 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.501 13.946 46.012 1.00 0.00 H new ATOM 0 HG SER A 14 2.424 13.140 46.772 1.00 0.00 H new ATOM 215 N GLU A 15 5.781 16.293 45.205 1.00 0.00 N ATOM 216 CA GLU A 15 6.825 17.122 45.889 1.00 0.00 C ATOM 217 C GLU A 15 7.981 17.469 44.962 1.00 0.00 C ATOM 218 O GLU A 15 8.482 16.630 44.246 1.00 0.00 O ATOM 219 CB GLU A 15 7.383 16.305 47.075 1.00 0.00 C ATOM 220 CG GLU A 15 6.605 16.633 48.366 1.00 0.00 C ATOM 221 CD GLU A 15 5.891 15.372 48.860 1.00 0.00 C ATOM 222 OE1 GLU A 15 5.852 15.212 50.068 1.00 0.00 O ATOM 223 OE2 GLU A 15 5.425 14.641 48.001 1.00 0.00 O ATOM 0 H GLU A 15 6.110 15.693 44.449 1.00 0.00 H new ATOM 0 HA GLU A 15 6.362 18.054 46.214 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.308 15.239 46.858 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.441 16.529 47.213 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.287 17.002 49.132 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.880 17.425 48.176 1.00 0.00 H new ATOM 230 N ALA A 16 8.398 18.714 45.023 1.00 0.00 N ATOM 231 CA ALA A 16 9.523 19.165 44.161 1.00 0.00 C ATOM 232 C ALA A 16 10.874 18.840 44.787 1.00 0.00 C ATOM 233 O ALA A 16 11.234 19.387 45.811 1.00 0.00 O ATOM 234 CB ALA A 16 9.413 20.689 43.990 1.00 0.00 C ATOM 0 H ALA A 16 8.004 19.430 45.633 1.00 0.00 H new ATOM 0 HA ALA A 16 9.459 18.648 43.204 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.229 21.044 43.360 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.460 20.935 43.522 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.472 21.170 44.966 1.00 0.00 H new ATOM 240 N LEU A 17 11.601 17.952 44.151 1.00 0.00 N ATOM 241 CA LEU A 17 12.934 17.571 44.685 1.00 0.00 C ATOM 242 C LEU A 17 14.037 18.310 43.923 1.00 0.00 C ATOM 243 O LEU A 17 13.884 18.624 42.760 1.00 0.00 O ATOM 244 CB LEU A 17 13.118 16.059 44.481 1.00 0.00 C ATOM 245 CG LEU A 17 11.940 15.338 45.117 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.118 13.831 44.943 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.890 15.675 46.602 1.00 0.00 C ATOM 0 H LEU A 17 11.325 17.480 43.290 1.00 0.00 H new ATOM 0 HA LEU A 17 12.995 17.832 45.742 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.176 15.825 43.418 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.053 15.727 44.932 1.00 0.00 H new ATOM 0 HG LEU A 17 11.012 15.653 44.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.275 13.310 45.398 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.163 13.590 43.881 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.043 13.516 45.426 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.047 15.161 47.064 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.816 15.355 47.079 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.771 16.751 46.727 1.00 0.00 H new ATOM 259 N PRO A 18 15.139 18.576 44.596 1.00 0.00 N ATOM 260 CA PRO A 18 16.255 19.276 43.972 1.00 0.00 C ATOM 261 C PRO A 18 16.744 18.547 42.723 1.00 0.00 C ATOM 262 O PRO A 18 16.481 17.376 42.540 1.00 0.00 O ATOM 263 CB PRO A 18 17.370 19.280 45.042 1.00 0.00 C ATOM 264 CG PRO A 18 16.808 18.551 46.300 1.00 0.00 C ATOM 265 CD PRO A 18 15.343 18.195 46.003 1.00 0.00 C ATOM 0 HA PRO A 18 15.965 20.278 43.655 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.261 18.774 44.670 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.663 20.301 45.288 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.386 17.652 46.514 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.878 19.192 47.179 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.156 17.132 46.156 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.664 18.736 46.661 1.00 0.00 H new ATOM 273 N ASN A 19 17.441 19.267 41.886 1.00 0.00 N ATOM 274 CA ASN A 19 17.965 18.655 40.639 1.00 0.00 C ATOM 275 C ASN A 19 16.870 18.495 39.587 1.00 0.00 C ATOM 276 O ASN A 19 16.928 17.610 38.756 1.00 0.00 O ATOM 277 CB ASN A 19 18.545 17.273 40.970 1.00 0.00 C ATOM 278 CG ASN A 19 19.788 17.030 40.109 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.757 17.170 38.903 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.901 16.670 40.689 1.00 0.00 N ATOM 0 H ASN A 19 17.668 20.253 42.015 1.00 0.00 H new ATOM 0 HA ASN A 19 18.733 19.313 40.232 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.804 17.218 42.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.801 16.499 40.783 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.738 16.508 40.130 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.933 16.551 41.702 1.00 0.00 H new ATOM 287 N ALA A 20 15.888 19.350 39.645 1.00 0.00 N ATOM 288 CA ALA A 20 14.782 19.265 38.654 1.00 0.00 C ATOM 289 C ALA A 20 14.133 17.883 38.641 1.00 0.00 C ATOM 290 O ALA A 20 14.157 17.191 37.639 1.00 0.00 O ATOM 291 CB ALA A 20 15.363 19.551 37.263 1.00 0.00 C ATOM 0 H ALA A 20 15.804 20.100 40.332 1.00 0.00 H new ATOM 0 HA ALA A 20 14.017 19.991 38.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.569 19.494 36.518 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.802 20.549 37.250 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.131 18.814 37.031 1.00 0.00 H new ATOM 297 N MET A 21 13.569 17.511 39.749 1.00 0.00 N ATOM 298 CA MET A 21 12.919 16.210 39.837 1.00 0.00 C ATOM 299 C MET A 21 11.836 16.280 40.902 1.00 0.00 C ATOM 300 O MET A 21 11.940 17.053 41.833 1.00 0.00 O ATOM 301 CB MET A 21 13.983 15.169 40.232 1.00 0.00 C ATOM 302 CG MET A 21 13.300 13.971 40.879 1.00 0.00 C ATOM 303 SD MET A 21 14.118 12.362 40.721 1.00 0.00 S ATOM 304 CE MET A 21 13.403 11.590 42.195 1.00 0.00 C ATOM 0 H MET A 21 13.537 18.070 40.602 1.00 0.00 H new ATOM 0 HA MET A 21 12.468 15.931 38.885 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.542 14.852 39.352 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.701 15.610 40.924 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.179 14.185 41.941 1.00 0.00 H new ATOM 0 HG3 MET A 21 12.300 13.884 40.455 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.724 10.550 42.253 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.739 12.123 43.084 1.00 0.00 H new ATOM 0 HE3 MET A 21 12.315 11.631 42.136 1.00 0.00 H new ATOM 314 N PHE A 22 10.808 15.496 40.745 1.00 0.00 N ATOM 315 CA PHE A 22 9.723 15.527 41.755 1.00 0.00 C ATOM 316 C PHE A 22 9.099 14.164 41.970 1.00 0.00 C ATOM 317 O PHE A 22 9.277 13.253 41.186 1.00 0.00 O ATOM 318 CB PHE A 22 8.601 16.477 41.273 1.00 0.00 C ATOM 319 CG PHE A 22 8.968 17.135 39.949 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.837 16.445 38.753 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.334 18.467 39.918 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.059 17.089 37.555 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.552 19.103 38.719 1.00 0.00 C ATOM 324 CZ PHE A 22 9.413 18.419 37.541 1.00 0.00 C ATOM 0 H PHE A 22 10.675 14.844 39.972 1.00 0.00 H new ATOM 0 HA PHE A 22 10.169 15.865 42.691 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.672 15.919 41.159 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.422 17.244 42.026 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.560 15.401 38.761 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.450 19.013 40.843 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.955 16.549 36.625 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.834 20.146 38.706 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.581 18.923 36.601 1.00 0.00 H new ATOM 334 N LYS A 23 8.368 14.064 43.049 1.00 0.00 N ATOM 335 CA LYS A 23 7.699 12.794 43.373 1.00 0.00 C ATOM 336 C LYS A 23 6.246 12.896 42.947 1.00 0.00 C ATOM 337 O LYS A 23 5.492 13.672 43.500 1.00 0.00 O ATOM 338 CB LYS A 23 7.769 12.571 44.894 1.00 0.00 C ATOM 339 CG LYS A 23 7.046 11.269 45.247 1.00 0.00 C ATOM 340 CD LYS A 23 7.234 10.979 46.737 1.00 0.00 C ATOM 341 CE LYS A 23 6.588 12.101 47.551 1.00 0.00 C ATOM 342 NZ LYS A 23 6.311 11.646 48.942 1.00 0.00 N ATOM 0 H LYS A 23 8.212 14.819 43.717 1.00 0.00 H new ATOM 0 HA LYS A 23 8.182 11.964 42.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.808 12.523 45.219 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.310 13.409 45.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.985 11.352 45.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.441 10.446 44.651 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.782 10.021 46.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.295 10.905 46.975 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.247 12.969 47.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.660 12.416 47.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.873 12.421 49.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.665 10.832 48.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.202 11.368 49.400 1.00 0.00 H new ATOM 356 N VAL A 24 5.870 12.113 41.976 1.00 0.00 N ATOM 357 CA VAL A 24 4.468 12.167 41.508 1.00 0.00 C ATOM 358 C VAL A 24 3.626 11.128 42.197 1.00 0.00 C ATOM 359 O VAL A 24 4.120 10.095 42.584 1.00 0.00 O ATOM 360 CB VAL A 24 4.462 11.889 40.002 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.019 11.780 39.507 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.157 13.040 39.275 1.00 0.00 C ATOM 0 H VAL A 24 6.470 11.445 41.493 1.00 0.00 H new ATOM 0 HA VAL A 24 4.053 13.149 41.734 1.00 0.00 H new ATOM 0 HB VAL A 24 4.987 10.955 39.803 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.016 11.582 38.435 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.516 10.965 40.028 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.495 12.715 39.705 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.155 12.847 38.202 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.627 13.971 39.477 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.185 13.125 39.627 1.00 0.00 H new ATOM 372 N LYS A 25 2.361 11.435 42.349 1.00 0.00 N ATOM 373 CA LYS A 25 1.440 10.477 43.015 1.00 0.00 C ATOM 374 C LYS A 25 0.298 10.107 42.086 1.00 0.00 C ATOM 375 O LYS A 25 -0.549 10.925 41.776 1.00 0.00 O ATOM 376 CB LYS A 25 0.864 11.132 44.280 1.00 0.00 C ATOM 377 CG LYS A 25 -0.327 10.308 44.772 1.00 0.00 C ATOM 378 CD LYS A 25 -0.350 10.324 46.300 1.00 0.00 C ATOM 379 CE LYS A 25 0.616 9.261 46.827 1.00 0.00 C ATOM 380 NZ LYS A 25 0.653 9.281 48.316 1.00 0.00 N ATOM 0 H LYS A 25 1.932 12.307 42.040 1.00 0.00 H new ATOM 0 HA LYS A 25 1.994 9.575 43.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.628 11.189 45.055 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.551 12.154 44.065 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.257 10.719 44.378 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.251 9.283 44.408 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.064 11.309 46.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.359 10.128 46.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.307 8.276 46.478 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.615 9.441 46.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.313 8.553 48.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.969 10.216 48.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.298 9.087 48.690 1.00 0.00 H new ATOM 394 N LEU A 26 0.300 8.879 41.649 1.00 0.00 N ATOM 395 CA LEU A 26 -0.762 8.426 40.744 1.00 0.00 C ATOM 396 C LEU A 26 -2.086 8.294 41.476 1.00 0.00 C ATOM 397 O LEU A 26 -2.129 8.245 42.690 1.00 0.00 O ATOM 398 CB LEU A 26 -0.359 7.054 40.197 1.00 0.00 C ATOM 399 CG LEU A 26 1.038 7.161 39.568 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.114 7.118 40.663 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.247 5.988 38.611 1.00 0.00 C ATOM 0 H LEU A 26 0.999 8.176 41.887 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.887 9.154 39.943 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.356 6.315 40.998 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.082 6.717 39.454 1.00 0.00 H new ATOM 0 HG LEU A 26 1.117 8.104 39.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.101 7.195 40.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.967 7.951 41.351 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.039 6.178 41.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.237 6.058 38.161 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.164 5.051 39.161 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.489 6.018 37.828 1.00 0.00 H new ATOM 413 N GLU A 27 -3.143 8.240 40.722 1.00 0.00 N ATOM 414 CA GLU A 27 -4.478 8.110 41.346 1.00 0.00 C ATOM 415 C GLU A 27 -4.601 6.781 42.073 1.00 0.00 C ATOM 416 O GLU A 27 -5.462 6.604 42.913 1.00 0.00 O ATOM 417 CB GLU A 27 -5.536 8.163 40.234 1.00 0.00 C ATOM 418 CG GLU A 27 -4.898 7.724 38.915 1.00 0.00 C ATOM 419 CD GLU A 27 -5.998 7.451 37.888 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.000 8.142 37.973 1.00 0.00 O ATOM 421 OE2 GLU A 27 -5.775 6.568 37.077 1.00 0.00 O ATOM 0 H GLU A 27 -3.138 8.280 39.703 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.621 8.918 42.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.374 7.512 40.481 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.934 9.174 40.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.225 8.499 38.547 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.297 6.827 39.069 1.00 0.00 H new ATOM 428 N ASN A 28 -3.732 5.866 41.739 1.00 0.00 N ATOM 429 CA ASN A 28 -3.780 4.542 42.399 1.00 0.00 C ATOM 430 C ASN A 28 -3.465 4.666 43.884 1.00 0.00 C ATOM 431 O ASN A 28 -3.736 3.764 44.653 1.00 0.00 O ATOM 432 CB ASN A 28 -2.732 3.632 41.742 1.00 0.00 C ATOM 433 CG ASN A 28 -2.787 3.807 40.226 1.00 0.00 C ATOM 434 OD1 ASN A 28 -2.444 4.952 39.708 1.00 0.00 O flip ATOM 435 ND2 ASN A 28 -3.142 2.901 39.498 1.00 0.00 N flip ATOM 0 H ASN A 28 -2.997 5.982 41.041 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.781 4.126 42.289 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.737 3.879 42.112 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.921 2.592 42.006 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.412 2.002 39.897 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.170 3.040 38.488 1.00 0.00 H new ATOM 442 N GLY A 29 -2.894 5.785 44.259 1.00 0.00 N ATOM 443 CA GLY A 29 -2.549 5.995 45.698 1.00 0.00 C ATOM 444 C GLY A 29 -1.041 5.842 45.927 1.00 0.00 C ATOM 445 O GLY A 29 -0.557 6.085 47.016 1.00 0.00 O ATOM 0 H GLY A 29 -2.654 6.556 43.636 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.870 6.988 46.012 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.089 5.276 46.314 1.00 0.00 H new ATOM 449 N HIS A 30 -0.330 5.446 44.897 1.00 0.00 N ATOM 450 CA HIS A 30 1.143 5.273 45.043 1.00 0.00 C ATOM 451 C HIS A 30 1.888 6.433 44.419 1.00 0.00 C ATOM 452 O HIS A 30 1.283 7.335 43.874 1.00 0.00 O ATOM 453 CB HIS A 30 1.541 3.983 44.327 1.00 0.00 C ATOM 454 CG HIS A 30 0.428 2.964 44.524 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.394 2.628 43.652 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.083 2.250 45.652 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.224 1.782 44.097 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.999 1.475 45.374 1.00 0.00 N ATOM 0 H HIS A 30 -0.705 5.238 43.972 1.00 0.00 H new ATOM 0 HA HIS A 30 1.398 5.231 46.102 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.700 4.172 43.265 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.480 3.601 44.727 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.591 2.299 46.604 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.024 1.357 43.508 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.504 0.830 45.982 1.00 0.00 H new ATOM 466 N GLU A 31 3.198 6.396 44.514 1.00 0.00 N ATOM 467 CA GLU A 31 3.995 7.492 43.932 1.00 0.00 C ATOM 468 C GLU A 31 5.233 6.980 43.226 1.00 0.00 C ATOM 469 O GLU A 31 5.696 5.887 43.484 1.00 0.00 O ATOM 470 CB GLU A 31 4.421 8.438 45.063 1.00 0.00 C ATOM 471 CG GLU A 31 4.894 7.611 46.262 1.00 0.00 C ATOM 472 CD GLU A 31 3.750 7.479 47.269 1.00 0.00 C ATOM 473 OE1 GLU A 31 2.655 7.194 46.811 1.00 0.00 O ATOM 474 OE2 GLU A 31 4.034 7.674 48.439 1.00 0.00 O ATOM 0 H GLU A 31 3.733 5.656 44.968 1.00 0.00 H new ATOM 0 HA GLU A 31 3.380 8.007 43.194 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.221 9.095 44.721 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.586 9.076 45.353 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.219 6.624 45.932 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.754 8.089 46.732 1.00 0.00 H new ATOM 481 N ILE A 32 5.748 7.793 42.336 1.00 0.00 N ATOM 482 CA ILE A 32 6.961 7.388 41.588 1.00 0.00 C ATOM 483 C ILE A 32 7.891 8.574 41.388 1.00 0.00 C ATOM 484 O ILE A 32 7.510 9.707 41.611 1.00 0.00 O ATOM 485 CB ILE A 32 6.536 6.869 40.234 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.743 5.574 40.396 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.796 6.575 39.403 1.00 0.00 C ATOM 488 CD1 ILE A 32 4.990 5.269 39.098 1.00 0.00 C ATOM 0 H ILE A 32 5.377 8.714 42.101 1.00 0.00 H new ATOM 0 HA ILE A 32 7.489 6.620 42.153 1.00 0.00 H new ATOM 0 HB ILE A 32 5.913 7.614 39.739 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.415 4.752 40.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.040 5.667 41.223 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.505 6.199 38.422 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.375 7.491 39.284 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.402 5.826 39.913 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.424 4.345 39.214 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.306 6.087 38.873 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.703 5.158 38.281 1.00 0.00 H new ATOM 500 N LEU A 33 9.094 8.298 40.969 1.00 0.00 N ATOM 501 CA LEU A 33 10.053 9.393 40.752 1.00 0.00 C ATOM 502 C LEU A 33 9.979 9.880 39.312 1.00 0.00 C ATOM 503 O LEU A 33 9.878 9.084 38.398 1.00 0.00 O ATOM 504 CB LEU A 33 11.467 8.856 41.028 1.00 0.00 C ATOM 505 CG LEU A 33 11.656 8.652 42.540 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.432 7.938 43.120 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.893 7.786 42.776 1.00 0.00 C ATOM 0 H LEU A 33 9.445 7.361 40.770 1.00 0.00 H new ATOM 0 HA LEU A 33 9.817 10.224 41.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.618 7.913 40.502 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.213 9.555 40.649 1.00 0.00 H new ATOM 0 HG LEU A 33 11.778 9.621 43.025 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.568 7.795 44.192 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.542 8.542 42.945 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.313 6.968 42.636 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.034 7.637 43.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.759 6.820 42.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.770 8.283 42.361 1.00 0.00 H new ATOM 519 N CYS A 34 10.025 11.180 39.127 1.00 0.00 N ATOM 520 CA CYS A 34 9.957 11.714 37.747 1.00 0.00 C ATOM 521 C CYS A 34 10.877 12.907 37.582 1.00 0.00 C ATOM 522 O CYS A 34 10.884 13.807 38.402 1.00 0.00 O ATOM 523 CB CYS A 34 8.515 12.164 37.474 1.00 0.00 C ATOM 524 SG CYS A 34 7.184 11.093 38.069 1.00 0.00 S ATOM 0 H CYS A 34 10.106 11.878 39.867 1.00 0.00 H new ATOM 0 HA CYS A 34 10.267 10.936 37.050 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.379 13.150 37.919 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.397 12.282 36.397 1.00 0.00 H new ATOM 0 HG CYS A 34 7.083 11.203 39.360 1.00 0.00 H new ATOM 530 N HIS A 35 11.633 12.895 36.514 1.00 0.00 N ATOM 531 CA HIS A 35 12.571 14.018 36.258 1.00 0.00 C ATOM 532 C HIS A 35 12.071 14.887 35.110 1.00 0.00 C ATOM 533 O HIS A 35 11.065 14.588 34.497 1.00 0.00 O ATOM 534 CB HIS A 35 13.933 13.420 35.875 1.00 0.00 C ATOM 535 CG HIS A 35 14.916 14.548 35.556 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.229 14.911 34.407 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.637 15.361 36.409 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.065 15.863 34.431 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.391 16.223 35.671 1.00 0.00 N ATOM 0 H HIS A 35 11.638 12.155 35.812 1.00 0.00 H new ATOM 0 HA HIS A 35 12.649 14.637 37.152 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.317 12.810 36.693 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.824 12.764 35.012 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.859 14.494 33.553 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.608 15.320 37.488 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.468 16.330 33.545 1.00 0.00 H new ATOM 547 N ILE A 36 12.792 15.949 34.839 1.00 0.00 N ATOM 548 CA ILE A 36 12.385 16.863 33.738 1.00 0.00 C ATOM 549 C ILE A 36 13.243 16.682 32.490 1.00 0.00 C ATOM 550 O ILE A 36 14.272 16.042 32.523 1.00 0.00 O ATOM 551 CB ILE A 36 12.568 18.290 34.241 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.419 18.650 35.151 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.564 19.252 33.040 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.827 19.831 36.038 1.00 0.00 C ATOM 0 H ILE A 36 13.642 16.218 35.335 1.00 0.00 H new ATOM 0 HA ILE A 36 11.353 16.644 33.466 1.00 0.00 H new ATOM 0 HB ILE A 36 13.511 18.367 34.782 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.540 18.910 34.561 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.147 17.794 35.768 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.695 20.275 33.393 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.380 18.994 32.365 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.615 19.169 32.511 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.999 20.094 36.697 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.694 19.553 36.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.078 20.687 35.411 1.00 0.00 H new ATOM 566 N SER A 37 12.780 17.257 31.404 1.00 0.00 N ATOM 567 CA SER A 37 13.521 17.159 30.130 1.00 0.00 C ATOM 568 C SER A 37 13.828 18.552 29.599 1.00 0.00 C ATOM 569 O SER A 37 12.941 19.265 29.173 1.00 0.00 O ATOM 570 CB SER A 37 12.642 16.424 29.113 1.00 0.00 C ATOM 571 OG SER A 37 11.370 16.353 29.741 1.00 0.00 O ATOM 0 H SER A 37 11.913 17.792 31.357 1.00 0.00 H new ATOM 0 HA SER A 37 14.456 16.622 30.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.590 16.964 28.167 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.033 15.431 28.892 1.00 0.00 H new ATOM 0 HG SER A 37 11.375 15.638 30.411 1.00 0.00 H new ATOM 577 N GLY A 38 15.082 18.914 29.634 1.00 0.00 N ATOM 578 CA GLY A 38 15.481 20.267 29.134 1.00 0.00 C ATOM 579 C GLY A 38 14.717 20.622 27.860 1.00 0.00 C ATOM 580 O GLY A 38 14.516 21.785 27.553 1.00 0.00 O ATOM 0 H GLY A 38 15.846 18.337 29.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.285 21.016 29.902 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.553 20.285 28.938 1.00 0.00 H new ATOM 584 N LYS A 39 14.303 19.620 27.144 1.00 0.00 N ATOM 585 CA LYS A 39 13.561 19.886 25.902 1.00 0.00 C ATOM 586 C LYS A 39 12.184 20.454 26.203 1.00 0.00 C ATOM 587 O LYS A 39 11.840 21.524 25.736 1.00 0.00 O ATOM 588 CB LYS A 39 13.415 18.570 25.129 1.00 0.00 C ATOM 589 CG LYS A 39 14.568 18.454 24.124 1.00 0.00 C ATOM 590 CD LYS A 39 14.235 19.276 22.873 1.00 0.00 C ATOM 591 CE LYS A 39 13.011 18.672 22.183 1.00 0.00 C ATOM 592 NZ LYS A 39 12.903 17.218 22.487 1.00 0.00 N ATOM 0 H LYS A 39 14.448 18.636 27.369 1.00 0.00 H new ATOM 0 HA LYS A 39 14.108 20.619 25.309 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.428 17.725 25.817 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.457 18.542 24.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.494 18.813 24.573 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.728 17.410 23.855 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.038 20.313 23.147 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.085 19.282 22.191 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.109 19.186 22.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.084 18.819 21.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.186 16.787 21.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.822 16.760 22.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.626 17.091 23.481 1.00 0.00 H new ATOM 606 N LEU A 40 11.410 19.743 26.978 1.00 0.00 N ATOM 607 CA LEU A 40 10.072 20.264 27.290 1.00 0.00 C ATOM 608 C LEU A 40 10.207 21.685 27.788 1.00 0.00 C ATOM 609 O LEU A 40 9.276 22.463 27.735 1.00 0.00 O ATOM 610 CB LEU A 40 9.415 19.353 28.362 1.00 0.00 C ATOM 611 CG LEU A 40 9.583 19.970 29.749 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.480 21.013 29.979 1.00 0.00 C ATOM 613 CD2 LEU A 40 9.459 18.871 30.811 1.00 0.00 C ATOM 0 H LEU A 40 11.649 18.844 27.396 1.00 0.00 H new ATOM 0 HA LEU A 40 9.438 20.265 26.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.356 19.222 28.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.871 18.363 28.338 1.00 0.00 H new ATOM 0 HG LEU A 40 10.561 20.445 29.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.598 21.455 30.968 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.554 21.794 29.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.504 20.532 29.910 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.578 19.308 31.802 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.478 18.402 30.737 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.233 18.120 30.650 1.00 0.00 H new ATOM 625 N ARG A 41 11.385 22.008 28.262 1.00 0.00 N ATOM 626 CA ARG A 41 11.603 23.363 28.759 1.00 0.00 C ATOM 627 C ARG A 41 11.560 24.306 27.587 1.00 0.00 C ATOM 628 O ARG A 41 10.903 25.328 27.621 1.00 0.00 O ATOM 629 CB ARG A 41 12.989 23.434 29.407 1.00 0.00 C ATOM 630 CG ARG A 41 12.928 24.387 30.591 1.00 0.00 C ATOM 631 CD ARG A 41 14.354 24.746 31.026 1.00 0.00 C ATOM 632 NE ARG A 41 14.891 23.650 31.880 1.00 0.00 N ATOM 633 CZ ARG A 41 14.199 23.250 32.906 1.00 0.00 C ATOM 634 NH1 ARG A 41 13.551 24.138 33.607 1.00 0.00 N ATOM 635 NH2 ARG A 41 14.171 21.978 33.193 1.00 0.00 N ATOM 0 H ARG A 41 12.189 21.383 28.318 1.00 0.00 H new ATOM 0 HA ARG A 41 10.840 23.631 29.490 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.303 22.443 29.736 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.727 23.779 28.683 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.380 25.289 30.319 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.389 23.924 31.418 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.990 24.888 30.152 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.354 25.687 31.577 1.00 0.00 H new ATOM 0 HE ARG A 41 15.790 23.219 31.663 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.593 25.123 33.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.002 23.847 34.416 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.687 21.314 32.616 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.633 21.648 33.994 1.00 0.00 H new ATOM 649 N MET A 42 12.268 23.939 26.552 1.00 0.00 N ATOM 650 CA MET A 42 12.288 24.792 25.353 1.00 0.00 C ATOM 651 C MET A 42 10.861 25.084 24.914 1.00 0.00 C ATOM 652 O MET A 42 10.576 26.136 24.380 1.00 0.00 O ATOM 653 CB MET A 42 13.017 24.036 24.226 1.00 0.00 C ATOM 654 CG MET A 42 13.722 25.043 23.315 1.00 0.00 C ATOM 655 SD MET A 42 12.688 26.010 22.185 1.00 0.00 S ATOM 656 CE MET A 42 13.208 27.648 22.751 1.00 0.00 C ATOM 0 H MET A 42 12.827 23.088 26.495 1.00 0.00 H new ATOM 0 HA MET A 42 12.799 25.730 25.572 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.742 23.341 24.649 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.306 23.444 23.651 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.274 25.740 23.946 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.457 24.502 22.719 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.685 28.414 22.179 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.970 27.760 23.809 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.283 27.759 22.607 1.00 0.00 H new ATOM 666 N ASN A 43 9.980 24.136 25.152 1.00 0.00 N ATOM 667 CA ASN A 43 8.566 24.346 24.753 1.00 0.00 C ATOM 668 C ASN A 43 7.849 25.228 25.772 1.00 0.00 C ATOM 669 O ASN A 43 6.636 25.244 25.840 1.00 0.00 O ATOM 670 CB ASN A 43 7.869 22.979 24.697 1.00 0.00 C ATOM 671 CG ASN A 43 6.705 23.041 23.706 1.00 0.00 C ATOM 672 OD1 ASN A 43 5.568 22.487 24.028 1.00 0.00 O flip ATOM 673 ND2 ASN A 43 6.820 23.596 22.630 1.00 0.00 N flip ATOM 0 H ASN A 43 10.184 23.242 25.599 1.00 0.00 H new ATOM 0 HA ASN A 43 8.535 24.837 23.780 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.578 22.209 24.394 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.504 22.704 25.687 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.706 24.031 22.373 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.030 23.627 21.985 1.00 0.00 H new ATOM 680 N PHE A 44 8.626 25.948 26.544 1.00 0.00 N ATOM 681 CA PHE A 44 8.036 26.848 27.578 1.00 0.00 C ATOM 682 C PHE A 44 6.824 26.211 28.257 1.00 0.00 C ATOM 683 O PHE A 44 5.699 26.420 27.848 1.00 0.00 O ATOM 684 CB PHE A 44 7.598 28.162 26.901 1.00 0.00 C ATOM 685 CG PHE A 44 6.854 27.858 25.598 1.00 0.00 C ATOM 686 CD1 PHE A 44 5.471 27.905 25.555 1.00 0.00 C ATOM 687 CD2 PHE A 44 7.552 27.554 24.442 1.00 0.00 C ATOM 688 CE1 PHE A 44 4.801 27.654 24.376 1.00 0.00 C ATOM 689 CE2 PHE A 44 6.878 27.302 23.265 1.00 0.00 C ATOM 690 CZ PHE A 44 5.504 27.353 23.232 1.00 0.00 C ATOM 0 H PHE A 44 9.645 25.950 26.501 1.00 0.00 H new ATOM 0 HA PHE A 44 8.792 27.034 28.341 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.954 28.730 27.573 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.470 28.783 26.695 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.914 28.140 26.450 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.631 27.514 24.462 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.722 27.694 24.351 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.430 27.064 22.368 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.978 27.157 22.310 1.00 0.00 H new ATOM 700 N ILE A 45 7.082 25.455 29.295 1.00 0.00 N ATOM 701 CA ILE A 45 5.972 24.794 30.021 1.00 0.00 C ATOM 702 C ILE A 45 6.221 24.815 31.523 1.00 0.00 C ATOM 703 O ILE A 45 6.804 23.901 32.071 1.00 0.00 O ATOM 704 CB ILE A 45 5.894 23.345 29.561 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.826 23.291 28.043 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.615 22.712 30.135 1.00 0.00 C ATOM 707 CD1 ILE A 45 5.369 21.896 27.613 1.00 0.00 C ATOM 0 H ILE A 45 8.015 25.271 29.665 1.00 0.00 H new ATOM 0 HA ILE A 45 5.043 25.325 29.811 1.00 0.00 H new ATOM 0 HB ILE A 45 6.776 22.805 29.906 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.133 24.045 27.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.803 23.516 27.614 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.547 21.673 29.813 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.646 22.753 31.224 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.745 23.261 29.776 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.318 21.849 26.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.079 21.153 27.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.384 21.691 28.032 1.00 0.00 H new ATOM 719 N ARG A 46 5.773 25.859 32.163 1.00 0.00 N ATOM 720 CA ARG A 46 5.976 25.955 33.624 1.00 0.00 C ATOM 721 C ARG A 46 4.942 25.125 34.380 1.00 0.00 C ATOM 722 O ARG A 46 3.754 25.248 34.150 1.00 0.00 O ATOM 723 CB ARG A 46 5.827 27.429 34.040 1.00 0.00 C ATOM 724 CG ARG A 46 5.405 28.252 32.823 1.00 0.00 C ATOM 725 CD ARG A 46 5.173 29.702 33.254 1.00 0.00 C ATOM 726 NE ARG A 46 6.476 30.430 33.249 1.00 0.00 N ATOM 727 CZ ARG A 46 6.479 31.738 33.282 1.00 0.00 C ATOM 728 NH1 ARG A 46 6.851 32.397 32.218 1.00 0.00 N ATOM 729 NH2 ARG A 46 6.111 32.341 34.380 1.00 0.00 N ATOM 0 H ARG A 46 5.279 26.642 31.736 1.00 0.00 H new ATOM 0 HA ARG A 46 6.968 25.575 33.866 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.085 27.523 34.833 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.769 27.804 34.439 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.176 28.207 32.053 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.495 27.839 32.387 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.469 30.187 32.577 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.730 29.732 34.249 1.00 0.00 H new ATOM 0 HE ARG A 46 7.355 29.913 33.220 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.133 31.892 31.378 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.859 33.417 32.227 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.828 31.793 35.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.107 33.360 34.425 1.00 0.00 H new ATOM 743 N ILE A 47 5.424 24.288 35.265 1.00 0.00 N ATOM 744 CA ILE A 47 4.503 23.428 36.059 1.00 0.00 C ATOM 745 C ILE A 47 4.868 23.472 37.541 1.00 0.00 C ATOM 746 O ILE A 47 6.010 23.263 37.904 1.00 0.00 O ATOM 747 CB ILE A 47 4.638 21.989 35.567 1.00 0.00 C ATOM 748 CG1 ILE A 47 4.243 21.905 34.101 1.00 0.00 C ATOM 749 CG2 ILE A 47 3.681 21.104 36.381 1.00 0.00 C ATOM 750 CD1 ILE A 47 4.508 20.486 33.595 1.00 0.00 C ATOM 0 H ILE A 47 6.416 24.165 35.470 1.00 0.00 H new ATOM 0 HA ILE A 47 3.483 23.791 35.935 1.00 0.00 H new ATOM 0 HB ILE A 47 5.670 21.658 35.686 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.190 22.157 33.980 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.813 22.626 33.515 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.764 20.071 36.043 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.942 21.162 37.438 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.657 21.450 36.241 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.228 20.416 32.544 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.567 20.253 33.704 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.918 19.777 34.176 1.00 0.00 H new ATOM 762 N LEU A 48 3.886 23.744 38.370 1.00 0.00 N ATOM 763 CA LEU A 48 4.146 23.809 39.839 1.00 0.00 C ATOM 764 C LEU A 48 3.535 22.608 40.551 1.00 0.00 C ATOM 765 O LEU A 48 2.551 22.062 40.103 1.00 0.00 O ATOM 766 CB LEU A 48 3.495 25.088 40.389 1.00 0.00 C ATOM 767 CG LEU A 48 4.247 26.305 39.849 1.00 0.00 C ATOM 768 CD1 LEU A 48 3.431 27.567 40.134 1.00 0.00 C ATOM 769 CD2 LEU A 48 5.599 26.410 40.555 1.00 0.00 C ATOM 0 H LEU A 48 2.921 23.923 38.091 1.00 0.00 H new ATOM 0 HA LEU A 48 5.222 23.808 40.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.447 25.133 40.094 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.520 25.084 41.479 1.00 0.00 H new ATOM 0 HG LEU A 48 4.398 26.200 38.775 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.963 28.438 39.751 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.460 27.491 39.645 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.288 27.673 41.209 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.142 27.276 40.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.442 26.522 41.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.179 25.507 40.366 1.00 0.00 H new ATOM 781 N GLU A 49 4.142 22.217 41.648 1.00 0.00 N ATOM 782 CA GLU A 49 3.626 21.062 42.409 1.00 0.00 C ATOM 783 C GLU A 49 2.103 21.038 42.436 1.00 0.00 C ATOM 784 O GLU A 49 1.460 22.067 42.369 1.00 0.00 O ATOM 785 CB GLU A 49 4.144 21.181 43.854 1.00 0.00 C ATOM 786 CG GLU A 49 4.173 19.799 44.508 1.00 0.00 C ATOM 787 CD GLU A 49 3.020 19.689 45.508 1.00 0.00 C ATOM 788 OE1 GLU A 49 3.033 20.480 46.438 1.00 0.00 O ATOM 789 OE2 GLU A 49 2.192 18.821 45.287 1.00 0.00 O ATOM 0 H GLU A 49 4.974 22.657 42.040 1.00 0.00 H new ATOM 0 HA GLU A 49 3.967 20.144 41.930 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.143 21.616 43.857 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.502 21.851 44.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.086 19.022 43.748 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.125 19.644 45.015 1.00 0.00 H new ATOM 796 N GLY A 50 1.553 19.856 42.542 1.00 0.00 N ATOM 797 CA GLY A 50 0.071 19.745 42.575 1.00 0.00 C ATOM 798 C GLY A 50 -0.483 19.770 41.152 1.00 0.00 C ATOM 799 O GLY A 50 -1.640 19.476 40.927 1.00 0.00 O ATOM 0 H GLY A 50 2.062 18.974 42.606 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.222 18.821 43.073 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.351 20.567 43.154 1.00 0.00 H new ATOM 803 N ASP A 51 0.360 20.120 40.216 1.00 0.00 N ATOM 804 CA ASP A 51 -0.099 20.169 38.811 1.00 0.00 C ATOM 805 C ASP A 51 -0.072 18.784 38.189 1.00 0.00 C ATOM 806 O ASP A 51 0.893 18.056 38.332 1.00 0.00 O ATOM 807 CB ASP A 51 0.847 21.080 38.017 1.00 0.00 C ATOM 808 CG ASP A 51 0.605 22.536 38.416 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.117 22.721 39.519 1.00 0.00 O ATOM 810 OD2 ASP A 51 0.918 23.383 37.595 1.00 0.00 O ATOM 0 H ASP A 51 1.337 20.371 40.369 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.120 20.549 38.786 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.883 20.805 38.213 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.680 20.952 36.947 1.00 0.00 H new ATOM 815 N LYS A 52 -1.127 18.436 37.510 1.00 0.00 N ATOM 816 CA LYS A 52 -1.166 17.116 36.886 1.00 0.00 C ATOM 817 C LYS A 52 -0.355 17.087 35.629 1.00 0.00 C ATOM 818 O LYS A 52 -0.305 18.044 34.881 1.00 0.00 O ATOM 819 CB LYS A 52 -2.624 16.750 36.573 1.00 0.00 C ATOM 820 CG LYS A 52 -3.311 16.286 37.862 1.00 0.00 C ATOM 821 CD LYS A 52 -4.717 15.781 37.528 1.00 0.00 C ATOM 822 CE LYS A 52 -5.399 15.286 38.811 1.00 0.00 C ATOM 823 NZ LYS A 52 -5.689 16.425 39.729 1.00 0.00 N ATOM 0 H LYS A 52 -1.954 19.016 37.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.739 16.391 37.578 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.147 17.611 36.157 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.661 15.961 35.822 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.729 15.494 38.334 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.367 17.108 38.575 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.304 16.580 37.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.661 14.974 36.798 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.326 14.770 38.560 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.757 14.562 39.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.337 16.110 40.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.802 16.761 40.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.130 17.199 39.193 1.00 0.00 H new ATOM 837 N VAL A 53 0.272 15.978 35.415 1.00 0.00 N ATOM 838 CA VAL A 53 1.104 15.842 34.210 1.00 0.00 C ATOM 839 C VAL A 53 1.155 14.406 33.721 1.00 0.00 C ATOM 840 O VAL A 53 0.717 13.503 34.406 1.00 0.00 O ATOM 841 CB VAL A 53 2.502 16.241 34.629 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.485 17.688 35.089 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.939 15.348 35.793 1.00 0.00 C ATOM 0 H VAL A 53 0.243 15.160 36.024 1.00 0.00 H new ATOM 0 HA VAL A 53 0.697 16.455 33.406 1.00 0.00 H new ATOM 0 HB VAL A 53 3.193 16.128 33.793 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.489 17.985 35.393 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.150 18.326 34.271 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.804 17.793 35.933 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.946 15.625 36.106 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.251 15.477 36.629 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.932 14.306 35.475 1.00 0.00 H new ATOM 853 N ASN A 54 1.697 14.213 32.537 1.00 0.00 N ATOM 854 CA ASN A 54 1.780 12.836 32.010 1.00 0.00 C ATOM 855 C ASN A 54 3.114 12.263 32.425 1.00 0.00 C ATOM 856 O ASN A 54 4.149 12.833 32.141 1.00 0.00 O ATOM 857 CB ASN A 54 1.673 12.859 30.474 1.00 0.00 C ATOM 858 CG ASN A 54 0.228 13.170 30.075 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.606 13.468 30.908 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.109 13.114 28.816 1.00 0.00 N ATOM 0 H ASN A 54 2.075 14.943 31.933 1.00 0.00 H new ATOM 0 HA ASN A 54 0.966 12.226 32.403 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.347 13.610 30.062 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.978 11.897 30.062 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.068 13.320 28.535 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.586 12.865 28.113 1.00 0.00 H new ATOM 867 N VAL A 55 3.071 11.143 33.084 1.00 0.00 N ATOM 868 CA VAL A 55 4.325 10.514 33.537 1.00 0.00 C ATOM 869 C VAL A 55 4.722 9.328 32.681 1.00 0.00 C ATOM 870 O VAL A 55 4.005 8.353 32.582 1.00 0.00 O ATOM 871 CB VAL A 55 4.092 10.017 34.967 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.399 9.463 35.537 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.619 11.184 35.830 1.00 0.00 C ATOM 0 H VAL A 55 2.218 10.640 33.326 1.00 0.00 H new ATOM 0 HA VAL A 55 5.126 11.250 33.470 1.00 0.00 H new ATOM 0 HB VAL A 55 3.338 9.230 34.962 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.231 9.110 36.554 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.744 8.635 34.918 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.154 10.249 35.546 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.451 10.838 36.850 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.379 11.966 35.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.689 11.583 35.424 1.00 0.00 H new ATOM 883 N GLU A 56 5.869 9.440 32.077 1.00 0.00 N ATOM 884 CA GLU A 56 6.357 8.344 31.221 1.00 0.00 C ATOM 885 C GLU A 56 7.211 7.408 32.057 1.00 0.00 C ATOM 886 O GLU A 56 8.274 7.788 32.513 1.00 0.00 O ATOM 887 CB GLU A 56 7.219 8.955 30.107 1.00 0.00 C ATOM 888 CG GLU A 56 7.761 7.841 29.212 1.00 0.00 C ATOM 889 CD GLU A 56 8.745 8.444 28.205 1.00 0.00 C ATOM 890 OE1 GLU A 56 9.046 9.613 28.378 1.00 0.00 O ATOM 891 OE2 GLU A 56 9.139 7.704 27.321 1.00 0.00 O ATOM 0 H GLU A 56 6.487 10.249 32.144 1.00 0.00 H new ATOM 0 HA GLU A 56 5.521 7.791 30.793 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.627 9.654 29.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.043 9.522 30.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.258 7.082 29.816 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.942 7.347 28.689 1.00 0.00 H new ATOM 898 N LEU A 57 6.736 6.200 32.250 1.00 0.00 N ATOM 899 CA LEU A 57 7.518 5.232 33.061 1.00 0.00 C ATOM 900 C LEU A 57 8.249 4.242 32.179 1.00 0.00 C ATOM 901 O LEU A 57 7.789 3.898 31.103 1.00 0.00 O ATOM 902 CB LEU A 57 6.548 4.454 33.964 1.00 0.00 C ATOM 903 CG LEU A 57 5.732 5.442 34.798 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.403 4.792 35.188 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.511 5.791 36.068 1.00 0.00 C ATOM 0 H LEU A 57 5.850 5.852 31.883 1.00 0.00 H new ATOM 0 HA LEU A 57 8.251 5.784 33.649 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.885 3.837 33.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.102 3.780 34.617 1.00 0.00 H new ATOM 0 HG LEU A 57 5.545 6.347 34.219 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.816 5.492 35.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.849 4.528 34.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.596 3.892 35.772 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.934 6.495 36.667 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.689 4.884 36.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.466 6.242 35.797 1.00 0.00 H new ATOM 917 N SER A 58 9.384 3.798 32.648 1.00 0.00 N ATOM 918 CA SER A 58 10.165 2.823 31.848 1.00 0.00 C ATOM 919 C SER A 58 9.639 1.380 32.076 1.00 0.00 C ATOM 920 O SER A 58 9.628 0.901 33.193 1.00 0.00 O ATOM 921 CB SER A 58 11.623 2.892 32.323 1.00 0.00 C ATOM 922 OG SER A 58 12.013 4.231 32.047 1.00 0.00 O ATOM 0 H SER A 58 9.797 4.067 33.541 1.00 0.00 H new ATOM 0 HA SER A 58 10.075 3.065 30.789 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.708 2.663 33.385 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.250 2.176 31.791 1.00 0.00 H new ATOM 0 HG SER A 58 12.943 4.365 32.325 1.00 0.00 H new ATOM 928 N PRO A 59 9.207 0.708 31.002 1.00 0.00 N ATOM 929 CA PRO A 59 8.692 -0.660 31.117 1.00 0.00 C ATOM 930 C PRO A 59 9.741 -1.617 31.683 1.00 0.00 C ATOM 931 O PRO A 59 9.412 -2.701 32.127 1.00 0.00 O ATOM 932 CB PRO A 59 8.336 -1.078 29.675 1.00 0.00 C ATOM 933 CG PRO A 59 8.630 0.142 28.750 1.00 0.00 C ATOM 934 CD PRO A 59 9.200 1.262 29.638 1.00 0.00 C ATOM 0 HA PRO A 59 7.840 -0.698 31.796 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.926 -1.942 29.369 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.287 -1.367 29.607 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.341 -0.130 27.970 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.720 0.473 28.250 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.205 1.542 29.322 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.586 2.161 29.581 1.00 0.00 H new ATOM 942 N TYR A 60 10.984 -1.192 31.660 1.00 0.00 N ATOM 943 CA TYR A 60 12.063 -2.038 32.182 1.00 0.00 C ATOM 944 C TYR A 60 12.531 -1.495 33.507 1.00 0.00 C ATOM 945 O TYR A 60 13.282 -2.132 34.220 1.00 0.00 O ATOM 946 CB TYR A 60 13.235 -2.014 31.190 1.00 0.00 C ATOM 947 CG TYR A 60 13.066 -0.840 30.228 1.00 0.00 C ATOM 948 CD1 TYR A 60 13.733 0.348 30.449 1.00 0.00 C ATOM 949 CD2 TYR A 60 12.253 -0.956 29.119 1.00 0.00 C ATOM 950 CE1 TYR A 60 13.588 1.404 29.575 1.00 0.00 C ATOM 951 CE2 TYR A 60 12.108 0.102 28.245 1.00 0.00 C ATOM 952 CZ TYR A 60 12.775 1.290 28.466 1.00 0.00 C ATOM 953 OH TYR A 60 12.633 2.346 27.590 1.00 0.00 O ATOM 0 H TYR A 60 11.281 -0.287 31.296 1.00 0.00 H new ATOM 0 HA TYR A 60 11.701 -3.058 32.313 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.179 -1.924 31.728 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.274 -2.951 30.634 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.373 0.451 31.313 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.727 -1.881 28.934 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.115 2.328 29.760 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.468 -0.000 27.381 1.00 0.00 H new ATOM 0 HH TYR A 60 12.024 2.091 26.866 1.00 0.00 H new ATOM 963 N ASP A 61 12.073 -0.310 33.808 1.00 0.00 N ATOM 964 CA ASP A 61 12.454 0.329 35.073 1.00 0.00 C ATOM 965 C ASP A 61 11.238 1.020 35.694 1.00 0.00 C ATOM 966 O ASP A 61 11.089 2.225 35.618 1.00 0.00 O ATOM 967 CB ASP A 61 13.561 1.365 34.785 1.00 0.00 C ATOM 968 CG ASP A 61 14.919 0.770 35.159 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.004 0.268 36.267 1.00 0.00 O ATOM 970 OD2 ASP A 61 15.796 0.850 34.315 1.00 0.00 O ATOM 0 H ASP A 61 11.446 0.237 33.218 1.00 0.00 H new ATOM 0 HA ASP A 61 12.821 -0.421 35.774 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.550 1.642 33.731 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.380 2.276 35.356 1.00 0.00 H new ATOM 975 N LEU A 62 10.385 0.234 36.292 1.00 0.00 N ATOM 976 CA LEU A 62 9.174 0.810 36.921 1.00 0.00 C ATOM 977 C LEU A 62 9.541 1.514 38.202 1.00 0.00 C ATOM 978 O LEU A 62 8.741 1.620 39.113 1.00 0.00 O ATOM 979 CB LEU A 62 8.197 -0.330 37.242 1.00 0.00 C ATOM 980 CG LEU A 62 7.578 -0.841 35.940 1.00 0.00 C ATOM 981 CD1 LEU A 62 6.935 -2.207 36.193 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.505 0.146 35.469 1.00 0.00 C ATOM 0 H LEU A 62 10.478 -0.779 36.370 1.00 0.00 H new ATOM 0 HA LEU A 62 8.717 1.525 36.238 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.718 -1.139 37.753 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.417 0.022 37.916 1.00 0.00 H new ATOM 0 HG LEU A 62 8.350 -0.934 35.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.492 -2.577 35.269 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.695 -2.909 36.537 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.160 -2.109 36.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.061 -0.215 34.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.731 0.233 36.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.958 1.123 35.299 1.00 0.00 H new ATOM 994 N THR A 63 10.747 1.982 38.244 1.00 0.00 N ATOM 995 CA THR A 63 11.222 2.695 39.453 1.00 0.00 C ATOM 996 C THR A 63 11.221 4.201 39.233 1.00 0.00 C ATOM 997 O THR A 63 11.044 4.961 40.165 1.00 0.00 O ATOM 998 CB THR A 63 12.656 2.244 39.734 1.00 0.00 C ATOM 999 OG1 THR A 63 13.218 1.978 38.464 1.00 0.00 O ATOM 1000 CG2 THR A 63 12.676 0.889 40.456 1.00 0.00 C ATOM 0 H THR A 63 11.429 1.902 37.490 1.00 0.00 H new ATOM 0 HA THR A 63 10.560 2.466 40.288 1.00 0.00 H new ATOM 0 HB THR A 63 13.169 2.999 40.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.146 1.683 38.572 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.708 0.592 40.644 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.145 0.974 41.404 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.190 0.138 39.834 1.00 0.00 H new ATOM 1008 N ARG A 64 11.417 4.606 38.000 1.00 0.00 N ATOM 1009 CA ARG A 64 11.434 6.062 37.700 1.00 0.00 C ATOM 1010 C ARG A 64 10.708 6.387 36.398 1.00 0.00 C ATOM 1011 O ARG A 64 10.497 5.530 35.542 1.00 0.00 O ATOM 1012 CB ARG A 64 12.897 6.495 37.539 1.00 0.00 C ATOM 1013 CG ARG A 64 13.496 6.787 38.916 1.00 0.00 C ATOM 1014 CD ARG A 64 14.961 6.341 38.931 1.00 0.00 C ATOM 1015 NE ARG A 64 15.769 7.292 38.113 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.475 8.214 38.713 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.521 8.702 38.104 1.00 0.00 N ATOM 1018 NH2 ARG A 64 16.111 8.616 39.899 1.00 0.00 N ATOM 0 H ARG A 64 11.564 3.992 37.199 1.00 0.00 H new ATOM 0 HA ARG A 64 10.932 6.583 38.515 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.467 5.710 37.041 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.958 7.382 36.908 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.425 7.852 39.139 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.935 6.262 39.689 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.335 6.313 39.954 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.051 5.331 38.531 1.00 0.00 H new ATOM 0 HE ARG A 64 15.770 7.223 37.095 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.775 8.363 37.176 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.084 9.422 38.556 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.287 8.212 40.344 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.650 9.335 40.382 1.00 0.00 H new ATOM 1032 N GLY A 65 10.343 7.631 36.282 1.00 0.00 N ATOM 1033 CA GLY A 65 9.629 8.093 35.066 1.00 0.00 C ATOM 1034 C GLY A 65 10.080 9.515 34.735 1.00 0.00 C ATOM 1035 O GLY A 65 11.153 9.931 35.131 1.00 0.00 O ATOM 0 H GLY A 65 10.511 8.352 36.984 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.840 7.427 34.230 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.552 8.068 35.230 1.00 0.00 H new ATOM 1039 N ARG A 66 9.274 10.234 34.015 1.00 0.00 N ATOM 1040 CA ARG A 66 9.682 11.624 33.677 1.00 0.00 C ATOM 1041 C ARG A 66 8.515 12.464 33.171 1.00 0.00 C ATOM 1042 O ARG A 66 7.681 11.996 32.421 1.00 0.00 O ATOM 1043 CB ARG A 66 10.746 11.561 32.579 1.00 0.00 C ATOM 1044 CG ARG A 66 10.216 10.720 31.422 1.00 0.00 C ATOM 1045 CD ARG A 66 11.359 10.430 30.451 1.00 0.00 C ATOM 1046 NE ARG A 66 12.116 9.243 30.936 1.00 0.00 N ATOM 1047 CZ ARG A 66 11.479 8.128 31.166 1.00 0.00 C ATOM 1048 NH1 ARG A 66 10.840 7.554 30.184 1.00 0.00 N ATOM 1049 NH2 ARG A 66 11.495 7.629 32.373 1.00 0.00 N ATOM 0 H ARG A 66 8.370 9.932 33.652 1.00 0.00 H new ATOM 0 HA ARG A 66 10.062 12.093 34.585 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.990 12.565 32.233 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.666 11.126 32.970 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.795 9.787 31.797 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.412 11.249 30.910 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.966 10.244 29.452 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.020 11.294 30.378 1.00 0.00 H new ATOM 0 HE ARG A 66 13.123 9.301 31.087 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.844 7.977 29.256 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.336 6.682 30.344 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.000 8.110 33.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.003 6.758 32.571 1.00 0.00 H new ATOM 1063 N ILE A 67 8.491 13.701 33.599 1.00 0.00 N ATOM 1064 CA ILE A 67 7.401 14.614 33.169 1.00 0.00 C ATOM 1065 C ILE A 67 7.831 15.377 31.926 1.00 0.00 C ATOM 1066 O ILE A 67 8.678 16.248 31.997 1.00 0.00 O ATOM 1067 CB ILE A 67 7.165 15.626 34.284 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.971 14.911 35.617 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.896 16.431 33.958 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.785 13.950 35.515 1.00 0.00 C ATOM 0 H ILE A 67 9.181 14.113 34.227 1.00 0.00 H new ATOM 0 HA ILE A 67 6.500 14.038 32.956 1.00 0.00 H new ATOM 0 HB ILE A 67 8.029 16.286 34.359 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.875 14.363 35.882 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.796 15.639 36.409 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.714 17.160 34.748 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.028 16.950 33.009 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.044 15.754 33.886 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.647 13.440 36.468 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.883 14.510 35.270 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.979 13.214 34.734 1.00 0.00 H new ATOM 1082 N THR A 68 7.241 15.036 30.813 1.00 0.00 N ATOM 1083 CA THR A 68 7.597 15.728 29.545 1.00 0.00 C ATOM 1084 C THR A 68 6.366 16.235 28.813 1.00 0.00 C ATOM 1085 O THR A 68 6.468 16.694 27.693 1.00 0.00 O ATOM 1086 CB THR A 68 8.319 14.725 28.647 1.00 0.00 C ATOM 1087 OG1 THR A 68 7.511 13.568 28.651 1.00 0.00 O ATOM 1088 CG2 THR A 68 9.640 14.277 29.285 1.00 0.00 C ATOM 0 H THR A 68 6.530 14.310 30.728 1.00 0.00 H new ATOM 0 HA THR A 68 8.226 16.586 29.782 1.00 0.00 H new ATOM 0 HB THR A 68 8.498 15.168 27.667 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.608 13.799 28.348 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.137 13.563 28.629 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.285 15.143 29.434 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.438 13.806 30.247 1.00 0.00 H new ATOM 1096 N TRP A 69 5.217 16.156 29.437 1.00 0.00 N ATOM 1097 CA TRP A 69 4.011 16.638 28.736 1.00 0.00 C ATOM 1098 C TRP A 69 2.826 16.846 29.674 1.00 0.00 C ATOM 1099 O TRP A 69 2.380 15.930 30.329 1.00 0.00 O ATOM 1100 CB TRP A 69 3.628 15.552 27.716 1.00 0.00 C ATOM 1101 CG TRP A 69 4.374 14.239 28.065 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.627 13.818 29.308 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.866 13.403 27.181 1.00 0.00 C ATOM 1104 NE1 TRP A 69 5.307 12.680 29.130 1.00 0.00 N ATOM 1105 CE2 TRP A 69 5.502 12.338 27.799 1.00 0.00 C ATOM 1106 CE3 TRP A 69 4.817 13.463 25.799 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 6.084 11.345 27.038 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 5.400 12.468 25.043 1.00 0.00 C ATOM 1109 CH2 TRP A 69 6.033 11.411 25.661 1.00 0.00 C ATOM 0 H TRP A 69 5.073 15.787 30.377 1.00 0.00 H new ATOM 0 HA TRP A 69 4.235 17.601 28.277 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.551 15.387 27.730 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.888 15.875 26.708 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.347 14.287 30.240 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.652 12.113 29.905 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.322 14.290 25.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.580 10.516 27.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 5.361 12.517 23.965 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.490 10.634 25.066 1.00 0.00 H new ATOM 1120 N ARG A 70 2.340 18.055 29.724 1.00 0.00 N ATOM 1121 CA ARG A 70 1.198 18.335 30.596 1.00 0.00 C ATOM 1122 C ARG A 70 -0.083 17.800 29.954 1.00 0.00 C ATOM 1123 O ARG A 70 -0.177 17.710 28.745 1.00 0.00 O ATOM 1124 CB ARG A 70 1.075 19.856 30.762 1.00 0.00 C ATOM 1125 CG ARG A 70 0.819 20.481 29.393 1.00 0.00 C ATOM 1126 CD ARG A 70 0.726 22.002 29.537 1.00 0.00 C ATOM 1127 NE ARG A 70 -0.623 22.446 29.089 1.00 0.00 N ATOM 1128 CZ ARG A 70 -0.838 22.658 27.820 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -0.051 22.097 26.944 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -1.834 23.426 27.471 1.00 0.00 N ATOM 0 H ARG A 70 2.693 18.852 29.194 1.00 0.00 H new ATOM 0 HA ARG A 70 1.345 17.855 31.564 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.260 20.096 31.445 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.987 20.263 31.198 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.623 20.218 28.705 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.105 20.088 28.969 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.894 22.294 30.574 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.500 22.485 28.940 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.372 22.583 29.768 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.718 21.503 27.255 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.204 22.252 25.948 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.427 23.848 28.185 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.019 23.604 26.484 1.00 0.00 H new ATOM 1144 N LYS A 71 -1.045 17.456 30.762 1.00 0.00 N ATOM 1145 CA LYS A 71 -2.308 16.928 30.195 1.00 0.00 C ATOM 1146 C LYS A 71 -3.206 18.055 29.688 1.00 0.00 C ATOM 1147 O LYS A 71 -3.205 19.143 30.226 1.00 0.00 O ATOM 1148 CB LYS A 71 -3.054 16.162 31.294 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.175 15.337 30.656 1.00 0.00 C ATOM 1150 CD LYS A 71 -3.600 14.015 30.144 1.00 0.00 C ATOM 1151 CE LYS A 71 -4.724 13.194 29.510 1.00 0.00 C ATOM 1152 NZ LYS A 71 -4.167 11.999 28.817 1.00 0.00 N ATOM 0 H LYS A 71 -1.010 17.518 31.780 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.065 16.277 29.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.366 15.509 31.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.468 16.858 32.023 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.962 15.146 31.385 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.629 15.892 29.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.814 14.205 29.413 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.145 13.460 30.964 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.431 12.880 30.278 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.276 13.809 28.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.942 11.452 28.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.510 12.305 28.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.660 11.405 29.503 1.00 0.00 H new ATOM 1166 N LYS A 72 -3.961 17.764 28.657 1.00 0.00 N ATOM 1167 CA LYS A 72 -4.870 18.797 28.093 1.00 0.00 C ATOM 1168 C LYS A 72 -4.081 19.977 27.535 1.00 0.00 C ATOM 1169 O LYS A 72 -4.142 20.146 26.328 1.00 0.00 O ATOM 1170 CB LYS A 72 -5.786 19.299 29.218 1.00 0.00 C ATOM 1171 CG LYS A 72 -7.158 19.646 28.634 1.00 0.00 C ATOM 1172 CD LYS A 72 -7.801 20.740 29.486 1.00 0.00 C ATOM 1173 CE LYS A 72 -9.072 21.236 28.795 1.00 0.00 C ATOM 1174 NZ LYS A 72 -9.907 20.084 28.350 1.00 0.00 N ATOM 0 H LYS A 72 -3.984 16.859 28.187 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.448 18.355 27.281 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.888 18.534 29.988 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.348 20.176 29.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.053 19.985 27.603 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.794 18.761 28.616 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.039 20.353 30.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.103 21.566 29.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.643 21.864 29.478 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.809 21.855 27.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.901 20.382 28.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.579 19.756 27.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.825 19.309 29.039 1.00 0.00 H new TER 1188 LYS A 72