USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 ALA N :NH3+ -110:sc= 0.0853 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 75:sc= 0.214 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.63 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.724 K(o=-0.72,f=-4.4!) USER MOD Single : A 33 SER OG : rot -77:sc= 0.256 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.235 K(o=0.24,f=-4.8!) USER MOD Single : A 52 SER OG : rot 152:sc= 1.08 USER MOD Single : A 60 THR OG1 : rot -53:sc= 1.24 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= 0.641 (180deg=-0.775!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.021 15.513 -7.402 1.00 25.00 N ATOM 2 CA ALA A 1 7.291 14.217 -7.525 1.00 25.00 C ATOM 3 C ALA A 1 7.016 13.640 -6.147 1.00 25.00 C ATOM 4 O ALA A 1 7.741 13.939 -5.206 1.00 25.00 O ATOM 5 CB ALA A 1 8.114 13.212 -8.372 1.00 25.00 C ATOM 0 H1 ALA A 1 7.392 16.293 -7.679 1.00 25.00 H new ATOM 0 H2 ALA A 1 8.326 15.647 -6.417 1.00 25.00 H new ATOM 0 H3 ALA A 1 8.854 15.502 -8.024 1.00 25.00 H new ATOM 0 HA ALA A 1 6.341 14.398 -8.027 1.00 25.00 H new ATOM 0 HB1 ALA A 1 7.568 12.272 -8.453 1.00 25.00 H new ATOM 0 HB2 ALA A 1 8.277 13.624 -9.368 1.00 25.00 H new ATOM 0 HB3 ALA A 1 9.076 13.033 -7.891 1.00 25.00 H new ATOM 13 N TYR A 2 5.973 12.831 -6.032 1.00 25.00 N ATOM 14 CA TYR A 2 5.625 12.187 -4.767 1.00 25.00 C ATOM 15 C TYR A 2 6.693 11.154 -4.396 1.00 25.00 C ATOM 16 O TYR A 2 7.310 10.555 -5.277 1.00 25.00 O ATOM 17 CB TYR A 2 4.264 11.495 -4.909 1.00 25.00 C ATOM 18 CG TYR A 2 3.854 10.716 -3.678 1.00 25.00 C ATOM 19 CD1 TYR A 2 3.374 11.378 -2.527 1.00 25.00 C ATOM 20 CD2 TYR A 2 3.954 9.308 -3.648 1.00 25.00 C ATOM 21 CE1 TYR A 2 3.011 10.646 -1.363 1.00 25.00 C ATOM 22 CE2 TYR A 2 3.587 8.577 -2.490 1.00 25.00 C ATOM 23 CZ TYR A 2 3.126 9.252 -1.358 1.00 25.00 C ATOM 24 OH TYR A 2 2.787 8.530 -0.245 1.00 25.00 O ATOM 0 H TYR A 2 5.347 12.602 -6.804 1.00 25.00 H new ATOM 0 HA TYR A 2 5.572 12.940 -3.980 1.00 25.00 H new ATOM 0 HB2 TYR A 2 3.504 12.246 -5.125 1.00 25.00 H new ATOM 0 HB3 TYR A 2 4.296 10.819 -5.764 1.00 25.00 H new ATOM 0 HD1 TYR A 2 3.281 12.454 -2.531 1.00 25.00 H new ATOM 0 HD2 TYR A 2 4.315 8.781 -4.519 1.00 25.00 H new ATOM 0 HE1 TYR A 2 2.648 11.164 -0.487 1.00 25.00 H new ATOM 0 HE2 TYR A 2 3.664 7.500 -2.483 1.00 25.00 H new ATOM 0 HH TYR A 2 2.928 7.576 -0.419 1.00 25.00 H new ATOM 34 N ARG A 3 6.889 10.935 -3.101 1.00 25.00 N ATOM 35 CA ARG A 3 7.794 9.902 -2.602 1.00 25.00 C ATOM 36 C ARG A 3 7.001 9.130 -1.562 1.00 25.00 C ATOM 37 O ARG A 3 6.259 9.741 -0.802 1.00 25.00 O ATOM 38 CB ARG A 3 9.030 10.517 -1.941 1.00 25.00 C ATOM 39 CG ARG A 3 9.964 11.208 -2.919 1.00 25.00 C ATOM 40 CD ARG A 3 11.143 11.866 -2.205 1.00 25.00 C ATOM 41 NE ARG A 3 10.712 12.983 -1.344 1.00 25.00 N ATOM 42 CZ ARG A 3 11.517 13.736 -0.602 1.00 25.00 C ATOM 43 NH1 ARG A 3 12.816 13.558 -0.574 1.00 25.00 N ATOM 44 NH2 ARG A 3 11.005 14.689 0.125 1.00 25.00 N ATOM 0 H ARG A 3 6.425 11.468 -2.365 1.00 25.00 H new ATOM 0 HA ARG A 3 8.145 9.270 -3.418 1.00 25.00 H new ATOM 0 HB2 ARG A 3 8.709 11.237 -1.188 1.00 25.00 H new ATOM 0 HB3 ARG A 3 9.580 9.734 -1.419 1.00 25.00 H new ATOM 0 HG2 ARG A 3 10.336 10.482 -3.642 1.00 25.00 H new ATOM 0 HG3 ARG A 3 9.411 11.962 -3.479 1.00 25.00 H new ATOM 0 HD2 ARG A 3 11.663 11.122 -1.601 1.00 25.00 H new ATOM 0 HD3 ARG A 3 11.856 12.232 -2.944 1.00 25.00 H new ATOM 0 HE ARG A 3 9.715 13.195 -1.316 1.00 25.00 H new ATOM 0 HH11 ARG A 3 13.242 12.820 -1.135 1.00 25.00 H new ATOM 0 HH12 ARG A 3 13.400 14.157 0.009 1.00 25.00 H new ATOM 0 HH21 ARG A 3 9.998 14.849 0.120 1.00 25.00 H new ATOM 0 HH22 ARG A 3 11.612 15.274 0.699 1.00 25.00 H new ATOM 58 N PRO A 4 7.179 7.798 -1.484 1.00 25.00 N ATOM 59 CA PRO A 4 6.420 7.031 -0.487 1.00 25.00 C ATOM 60 C PRO A 4 6.841 7.330 0.944 1.00 25.00 C ATOM 61 O PRO A 4 6.081 7.113 1.868 1.00 25.00 O ATOM 62 CB PRO A 4 6.734 5.580 -0.862 1.00 25.00 C ATOM 63 CG PRO A 4 8.082 5.642 -1.481 1.00 25.00 C ATOM 64 CD PRO A 4 8.051 6.919 -2.286 1.00 25.00 C ATOM 0 HA PRO A 4 5.358 7.275 -0.505 1.00 25.00 H new ATOM 0 HB2 PRO A 4 6.729 4.933 0.015 1.00 25.00 H new ATOM 0 HB3 PRO A 4 5.996 5.181 -1.557 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.868 5.664 -0.726 1.00 25.00 H new ATOM 0 HG3 PRO A 4 8.272 4.775 -2.114 1.00 25.00 H new ATOM 0 HD2 PRO A 4 9.048 7.343 -2.408 1.00 25.00 H new ATOM 0 HD3 PRO A 4 7.649 6.756 -3.286 1.00 25.00 H new ATOM 72 N SER A 5 8.053 7.854 1.099 1.00 25.00 N ATOM 73 CA SER A 5 8.582 8.281 2.397 1.00 25.00 C ATOM 74 C SER A 5 8.458 7.215 3.496 1.00 25.00 C ATOM 75 O SER A 5 8.167 7.520 4.641 1.00 25.00 O ATOM 76 CB SER A 5 7.867 9.563 2.810 1.00 25.00 C ATOM 77 OG SER A 5 7.865 10.483 1.723 1.00 25.00 O ATOM 0 H SER A 5 8.702 7.997 0.325 1.00 25.00 H new ATOM 0 HA SER A 5 9.652 8.451 2.279 1.00 25.00 H new ATOM 0 HB2 SER A 5 6.844 9.339 3.111 1.00 25.00 H new ATOM 0 HB3 SER A 5 8.364 10.006 3.673 1.00 25.00 H new ATOM 0 HG SER A 5 7.211 10.195 1.052 1.00 25.00 H new ATOM 83 N GLU A 6 8.715 5.966 3.123 1.00 25.00 N ATOM 84 CA GLU A 6 8.616 4.814 4.033 1.00 25.00 C ATOM 85 C GLU A 6 9.807 4.719 4.999 1.00 25.00 C ATOM 86 O GLU A 6 9.992 3.723 5.695 1.00 25.00 O ATOM 87 CB GLU A 6 8.515 3.530 3.198 1.00 25.00 C ATOM 88 CG GLU A 6 9.747 3.248 2.327 1.00 25.00 C ATOM 89 CD GLU A 6 9.547 2.073 1.415 1.00 25.00 C ATOM 90 OE1 GLU A 6 10.081 1.009 1.563 1.00 25.00 O ATOM 91 OE2 GLU A 6 8.760 2.318 0.425 1.00 25.00 O ATOM 0 H GLU A 6 9.000 5.715 2.176 1.00 25.00 H new ATOM 0 HA GLU A 6 7.724 4.946 4.646 1.00 25.00 H new ATOM 0 HB2 GLU A 6 8.357 2.685 3.869 1.00 25.00 H new ATOM 0 HB3 GLU A 6 7.637 3.596 2.556 1.00 25.00 H new ATOM 0 HG2 GLU A 6 9.977 4.131 1.731 1.00 25.00 H new ATOM 0 HG3 GLU A 6 10.608 3.063 2.969 1.00 25.00 H new ATOM 98 N THR A 7 10.617 5.763 5.023 1.00 25.00 N ATOM 99 CA THR A 7 11.755 5.849 5.920 1.00 25.00 C ATOM 100 C THR A 7 11.708 7.193 6.599 1.00 25.00 C ATOM 101 O THR A 7 11.394 8.204 5.968 1.00 25.00 O ATOM 102 CB THR A 7 13.084 5.750 5.176 1.00 25.00 C ATOM 103 OG1 THR A 7 13.051 6.611 4.032 1.00 25.00 O ATOM 104 CG2 THR A 7 13.331 4.341 4.718 1.00 25.00 C ATOM 0 H THR A 7 10.503 6.577 4.419 1.00 25.00 H new ATOM 0 HA THR A 7 11.695 5.021 6.626 1.00 25.00 H new ATOM 0 HB THR A 7 13.885 6.049 5.853 1.00 25.00 H new ATOM 0 HG1 THR A 7 13.904 6.551 3.553 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.283 4.292 4.190 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.361 3.677 5.582 1.00 25.00 H new ATOM 0 HG23 THR A 7 12.529 4.030 4.049 1.00 25.00 H new ATOM 112 N LEU A 8 12.027 7.196 7.881 1.00 25.00 N ATOM 113 CA LEU A 8 12.006 8.407 8.687 1.00 25.00 C ATOM 114 C LEU A 8 13.208 8.504 9.554 1.00 25.00 C ATOM 115 O LEU A 8 13.642 7.536 10.168 1.00 25.00 O ATOM 116 CB LEU A 8 10.831 8.417 9.634 1.00 25.00 C ATOM 117 CG LEU A 8 9.449 8.392 9.033 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.416 8.277 10.064 1.00 25.00 C ATOM 119 CD2 LEU A 8 9.179 9.652 8.193 1.00 25.00 C ATOM 0 H LEU A 8 12.308 6.360 8.394 1.00 25.00 H new ATOM 0 HA LEU A 8 11.957 9.231 7.975 1.00 25.00 H new ATOM 0 HB2 LEU A 8 10.925 7.556 10.295 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.910 9.308 10.258 1.00 25.00 H new ATOM 0 HG LEU A 8 9.408 7.515 8.388 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.433 8.262 9.594 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.564 7.355 10.626 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.481 9.129 10.741 1.00 25.00 H new ATOM 0 HD21 LEU A 8 8.174 9.602 7.774 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.265 10.536 8.825 1.00 25.00 H new ATOM 0 HD23 LEU A 8 9.907 9.713 7.384 1.00 25.00 H new ATOM 131 N CYS A 9 13.688 9.718 9.665 1.00 25.00 N ATOM 132 CA CYS A 9 14.878 10.000 10.451 1.00 25.00 C ATOM 133 C CYS A 9 14.726 11.312 11.213 1.00 25.00 C ATOM 134 O CYS A 9 14.033 12.228 10.767 1.00 25.00 O ATOM 135 CB CYS A 9 16.082 10.080 9.511 1.00 25.00 C ATOM 136 SG CYS A 9 16.452 8.524 8.621 1.00 25.00 S ATOM 0 H CYS A 9 13.274 10.537 9.220 1.00 25.00 H new ATOM 0 HA CYS A 9 15.024 9.202 11.179 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.905 10.869 8.780 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.959 10.371 10.088 1.00 25.00 H new ATOM 141 N GLY A 10 15.382 11.408 12.360 1.00 25.00 N ATOM 142 CA GLY A 10 15.348 12.638 13.138 1.00 25.00 C ATOM 143 C GLY A 10 13.943 13.087 13.496 1.00 25.00 C ATOM 144 O GLY A 10 13.098 12.290 13.906 1.00 25.00 O ATOM 0 H GLY A 10 15.939 10.658 12.770 1.00 25.00 H new ATOM 0 HA2 GLY A 10 15.920 12.495 14.055 1.00 25.00 H new ATOM 0 HA3 GLY A 10 15.842 13.429 12.574 1.00 25.00 H new ATOM 148 N GLY A 11 13.685 14.374 13.302 1.00 25.00 N ATOM 149 CA GLY A 11 12.384 14.947 13.614 1.00 25.00 C ATOM 150 C GLY A 11 11.236 14.419 12.772 1.00 25.00 C ATOM 151 O GLY A 11 10.090 14.516 13.181 1.00 25.00 O ATOM 0 H GLY A 11 14.361 15.041 12.930 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.162 14.758 14.664 1.00 25.00 H new ATOM 0 HA3 GLY A 11 12.440 16.028 13.489 1.00 25.00 H new ATOM 155 N GLU A 12 11.525 13.826 11.619 1.00 25.00 N ATOM 156 CA GLU A 12 10.467 13.263 10.775 1.00 25.00 C ATOM 157 C GLU A 12 9.826 12.100 11.515 1.00 25.00 C ATOM 158 O GLU A 12 8.611 11.904 11.493 1.00 25.00 O ATOM 159 CB GLU A 12 11.046 12.719 9.468 1.00 25.00 C ATOM 160 CG GLU A 12 11.831 13.713 8.630 1.00 25.00 C ATOM 161 CD GLU A 12 12.572 13.044 7.508 1.00 25.00 C ATOM 162 OE1 GLU A 12 13.067 11.950 7.603 1.00 25.00 O ATOM 163 OE2 GLU A 12 12.636 13.760 6.430 1.00 25.00 O ATOM 0 H GLU A 12 12.469 13.721 11.247 1.00 25.00 H new ATOM 0 HA GLU A 12 9.744 14.048 10.553 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.697 11.877 9.703 1.00 25.00 H new ATOM 0 HB3 GLU A 12 10.227 12.330 8.864 1.00 25.00 H new ATOM 0 HG2 GLU A 12 11.150 14.459 8.220 1.00 25.00 H new ATOM 0 HG3 GLU A 12 12.539 14.244 9.266 1.00 25.00 H new ATOM 170 N LEU A 13 10.674 11.317 12.166 1.00 25.00 N ATOM 171 CA LEU A 13 10.223 10.135 12.878 1.00 25.00 C ATOM 172 C LEU A 13 9.434 10.561 14.101 1.00 25.00 C ATOM 173 O LEU A 13 8.377 10.021 14.384 1.00 25.00 O ATOM 174 CB LEU A 13 11.429 9.269 13.256 1.00 25.00 C ATOM 175 CG LEU A 13 11.147 7.867 13.821 1.00 25.00 C ATOM 176 CD1 LEU A 13 10.044 7.115 13.060 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.446 7.073 13.778 1.00 25.00 C ATOM 0 H LEU A 13 11.680 11.481 12.215 1.00 25.00 H new ATOM 0 HA LEU A 13 9.571 9.536 12.242 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.052 9.155 12.369 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.018 9.816 13.992 1.00 25.00 H new ATOM 0 HG LEU A 13 10.782 7.980 14.842 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.896 6.134 13.510 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.115 7.682 13.112 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.338 6.995 12.017 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.274 6.072 14.174 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.794 7.001 12.748 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.201 7.577 14.381 1.00 25.00 H new ATOM 189 N VAL A 14 9.930 11.583 14.782 1.00 25.00 N ATOM 190 CA VAL A 14 9.253 12.137 15.953 1.00 25.00 C ATOM 191 C VAL A 14 7.871 12.658 15.576 1.00 25.00 C ATOM 192 O VAL A 14 6.896 12.374 16.257 1.00 25.00 O ATOM 193 CB VAL A 14 10.092 13.291 16.573 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.322 14.011 17.688 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.418 12.734 17.114 1.00 25.00 C ATOM 0 H VAL A 14 10.805 12.051 14.544 1.00 25.00 H new ATOM 0 HA VAL A 14 9.145 11.340 16.688 1.00 25.00 H new ATOM 0 HB VAL A 14 10.297 14.022 15.791 1.00 25.00 H new ATOM 0 HG11 VAL A 14 9.939 14.811 18.098 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.403 14.433 17.281 1.00 25.00 H new ATOM 0 HG13 VAL A 14 9.077 13.301 18.478 1.00 25.00 H new ATOM 0 HG21 VAL A 14 12.003 13.545 17.548 1.00 25.00 H new ATOM 0 HG22 VAL A 14 11.213 11.985 17.879 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.980 12.276 16.300 1.00 25.00 H new ATOM 205 N ASP A 15 7.777 13.394 14.479 1.00 25.00 N ATOM 206 CA ASP A 15 6.496 13.951 14.052 1.00 25.00 C ATOM 207 C ASP A 15 5.491 12.845 13.761 1.00 25.00 C ATOM 208 O ASP A 15 4.338 12.930 14.160 1.00 25.00 O ATOM 209 CB ASP A 15 6.678 14.817 12.805 1.00 25.00 C ATOM 210 CG ASP A 15 5.409 15.508 12.395 1.00 25.00 C ATOM 211 OD1 ASP A 15 5.074 15.654 11.260 1.00 25.00 O ATOM 212 OD2 ASP A 15 4.712 15.947 13.384 1.00 25.00 O ATOM 0 H ASP A 15 8.564 13.620 13.870 1.00 25.00 H new ATOM 0 HA ASP A 15 6.113 14.568 14.865 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.450 15.563 12.994 1.00 25.00 H new ATOM 0 HB3 ASP A 15 7.031 14.195 11.983 1.00 25.00 H new ATOM 217 N THR A 16 5.936 11.788 13.102 1.00 25.00 N ATOM 218 CA THR A 16 5.049 10.671 12.801 1.00 25.00 C ATOM 219 C THR A 16 4.635 9.911 14.066 1.00 25.00 C ATOM 220 O THR A 16 3.488 9.511 14.208 1.00 25.00 O ATOM 221 CB THR A 16 5.727 9.719 11.823 1.00 25.00 C ATOM 222 OG1 THR A 16 6.172 10.468 10.687 1.00 25.00 O ATOM 223 CG2 THR A 16 4.777 8.654 11.346 1.00 25.00 C ATOM 0 H THR A 16 6.893 11.678 12.768 1.00 25.00 H new ATOM 0 HA THR A 16 4.145 11.080 12.351 1.00 25.00 H new ATOM 0 HB THR A 16 6.562 9.239 12.334 1.00 25.00 H new ATOM 0 HG1 THR A 16 6.994 10.950 10.915 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.292 7.992 10.650 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.420 8.077 12.199 1.00 25.00 H new ATOM 0 HG23 THR A 16 3.930 9.121 10.843 1.00 25.00 H new ATOM 231 N LEU A 17 5.549 9.746 15.010 1.00 25.00 N ATOM 232 CA LEU A 17 5.219 9.083 16.274 1.00 25.00 C ATOM 233 C LEU A 17 4.196 9.898 17.054 1.00 25.00 C ATOM 234 O LEU A 17 3.266 9.350 17.627 1.00 25.00 O ATOM 235 CB LEU A 17 6.485 8.868 17.100 1.00 25.00 C ATOM 236 CG LEU A 17 7.283 7.634 16.650 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.754 7.819 16.912 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.786 6.368 17.357 1.00 25.00 C ATOM 0 H LEU A 17 6.517 10.057 14.932 1.00 25.00 H new ATOM 0 HA LEU A 17 4.779 8.110 16.055 1.00 25.00 H new ATOM 0 HB2 LEU A 17 7.118 9.752 17.025 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.215 8.758 18.150 1.00 25.00 H new ATOM 0 HG LEU A 17 7.129 7.519 15.577 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.296 6.932 16.585 1.00 25.00 H new ATOM 0 HD12 LEU A 17 9.115 8.688 16.362 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.917 7.971 17.979 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.368 5.511 17.020 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.902 6.484 18.435 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.734 6.208 17.120 1.00 25.00 H new ATOM 250 N GLN A 18 4.329 11.213 17.017 1.00 25.00 N ATOM 251 CA GLN A 18 3.354 12.095 17.654 1.00 25.00 C ATOM 252 C GLN A 18 1.999 11.981 16.951 1.00 25.00 C ATOM 253 O GLN A 18 0.966 12.072 17.588 1.00 25.00 O ATOM 254 CB GLN A 18 3.853 13.541 17.608 1.00 25.00 C ATOM 255 CG GLN A 18 5.045 13.783 18.545 1.00 25.00 C ATOM 256 CD GLN A 18 5.749 15.117 18.337 1.00 25.00 C ATOM 257 OE1 GLN A 18 5.406 15.827 17.295 1.00 25.00 O flip ATOM 258 NE2 GLN A 18 6.625 15.478 19.105 1.00 25.00 N flip ATOM 0 H GLN A 18 5.099 11.697 16.555 1.00 25.00 H new ATOM 0 HA GLN A 18 3.232 11.795 18.695 1.00 25.00 H new ATOM 0 HB2 GLN A 18 4.142 13.790 16.587 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.038 14.212 17.881 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.698 13.726 19.577 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.768 12.979 18.408 1.00 25.00 H new ATOM 0 HE21 GLN A 18 6.868 14.900 19.909 1.00 25.00 H new ATOM 0 HE22 GLN A 18 7.114 16.358 18.943 1.00 25.00 H new ATOM 267 N PHE A 19 2.005 11.751 15.647 1.00 25.00 N ATOM 268 CA PHE A 19 0.759 11.603 14.896 1.00 25.00 C ATOM 269 C PHE A 19 0.009 10.307 15.240 1.00 25.00 C ATOM 270 O PHE A 19 -1.192 10.338 15.477 1.00 25.00 O ATOM 271 CB PHE A 19 1.050 11.651 13.391 1.00 25.00 C ATOM 272 CG PHE A 19 -0.185 11.591 12.535 1.00 25.00 C ATOM 273 CD1 PHE A 19 -0.923 12.759 12.261 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.614 10.367 11.984 1.00 25.00 C ATOM 275 CE1 PHE A 19 -2.082 12.709 11.446 1.00 25.00 C ATOM 276 CE2 PHE A 19 -1.770 10.304 11.168 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.505 11.479 10.898 1.00 25.00 C ATOM 0 H PHE A 19 2.852 11.662 15.085 1.00 25.00 H new ATOM 0 HA PHE A 19 0.113 12.433 15.181 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.595 12.568 13.164 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.704 10.819 13.129 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.602 13.703 12.676 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.054 9.466 12.186 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -2.641 13.611 11.245 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.089 9.359 10.753 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.386 11.437 10.275 1.00 25.00 H new ATOM 287 N VAL A 20 0.695 9.168 15.250 1.00 25.00 N ATOM 288 CA VAL A 20 0.008 7.885 15.483 1.00 25.00 C ATOM 289 C VAL A 20 -0.368 7.679 16.962 1.00 25.00 C ATOM 290 O VAL A 20 -1.289 6.928 17.275 1.00 25.00 O ATOM 291 CB VAL A 20 0.837 6.659 14.987 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.294 6.868 13.553 1.00 25.00 C ATOM 293 CG2 VAL A 20 2.016 6.396 15.866 1.00 25.00 C ATOM 0 H VAL A 20 1.702 9.097 15.104 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.907 7.944 14.894 1.00 25.00 H new ATOM 0 HB VAL A 20 0.185 5.787 15.031 1.00 25.00 H new ATOM 0 HG11 VAL A 20 1.870 6.003 13.225 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.424 6.990 12.908 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.916 7.761 13.496 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.567 5.535 15.487 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.667 7.270 15.872 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.675 6.191 16.881 1.00 25.00 H new ATOM 303 N CYS A 21 0.375 8.315 17.864 1.00 25.00 N ATOM 304 CA CYS A 21 0.162 8.127 19.312 1.00 25.00 C ATOM 305 C CYS A 21 -0.590 9.275 19.988 1.00 25.00 C ATOM 306 O CYS A 21 -1.091 9.126 21.106 1.00 25.00 O ATOM 307 CB CYS A 21 1.507 7.974 20.032 1.00 25.00 C ATOM 308 SG CYS A 21 2.622 6.713 19.331 1.00 25.00 S ATOM 0 H CYS A 21 1.127 8.963 17.629 1.00 25.00 H new ATOM 0 HA CYS A 21 -0.450 7.229 19.393 1.00 25.00 H new ATOM 0 HB2 CYS A 21 2.019 8.936 20.020 1.00 25.00 H new ATOM 0 HB3 CYS A 21 1.316 7.727 21.076 1.00 25.00 H new ATOM 313 N GLY A 22 -0.614 10.436 19.353 1.00 25.00 N ATOM 314 CA GLY A 22 -1.202 11.610 19.972 1.00 25.00 C ATOM 315 C GLY A 22 -0.337 12.111 21.118 1.00 25.00 C ATOM 316 O GLY A 22 0.829 11.729 21.262 1.00 25.00 O ATOM 0 H GLY A 22 -0.237 10.589 18.418 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -1.319 12.398 19.228 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -2.199 11.370 20.342 1.00 25.00 H new ATOM 320 N ASP A 23 -0.929 12.935 21.972 1.00 25.00 N ATOM 321 CA ASP A 23 -0.243 13.527 23.133 1.00 25.00 C ATOM 322 C ASP A 23 0.148 12.508 24.203 1.00 25.00 C ATOM 323 O ASP A 23 0.648 12.865 25.263 1.00 25.00 O ATOM 324 CB ASP A 23 -1.158 14.556 23.800 1.00 25.00 C ATOM 325 CG ASP A 23 -1.862 15.433 22.801 1.00 25.00 C ATOM 326 OD1 ASP A 23 -1.359 16.523 22.483 1.00 25.00 O ATOM 327 OD2 ASP A 23 -2.934 15.001 22.319 1.00 25.00 O ATOM 0 H ASP A 23 -1.905 13.219 21.886 1.00 25.00 H new ATOM 0 HA ASP A 23 0.670 13.975 22.740 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -1.898 14.038 24.410 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -0.569 15.178 24.474 1.00 25.00 H new ATOM 332 N ARG A 24 -0.157 11.241 23.962 1.00 25.00 N ATOM 333 CA ARG A 24 0.094 10.186 24.944 1.00 25.00 C ATOM 334 C ARG A 24 1.571 9.866 25.043 1.00 25.00 C ATOM 335 O ARG A 24 2.023 9.265 26.015 1.00 25.00 O ATOM 336 CB ARG A 24 -0.660 8.921 24.549 1.00 25.00 C ATOM 337 CG ARG A 24 -2.167 9.092 24.389 1.00 25.00 C ATOM 338 CD ARG A 24 -2.867 9.636 25.640 1.00 25.00 C ATOM 339 NE ARG A 24 -2.994 11.106 25.598 1.00 25.00 N ATOM 340 CZ ARG A 24 -3.548 11.859 26.541 1.00 25.00 C ATOM 341 NH1 ARG A 24 -4.061 11.348 27.633 1.00 25.00 N ATOM 342 NH2 ARG A 24 -3.592 13.152 26.377 1.00 25.00 N ATOM 0 H ARG A 24 -0.580 10.914 23.093 1.00 25.00 H new ATOM 0 HA ARG A 24 -0.252 10.544 25.913 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.250 8.550 23.610 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -0.474 8.155 25.302 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -2.360 9.766 23.555 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -2.606 8.129 24.129 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -3.857 9.187 25.727 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -2.305 9.344 26.527 1.00 25.00 H new ATOM 0 HE ARG A 24 -2.625 11.583 24.776 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -4.043 10.339 27.781 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -4.478 11.959 28.335 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -3.204 13.572 25.533 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -4.015 13.743 27.093 1.00 25.00 H new ATOM 356 N GLY A 25 2.321 10.275 24.034 1.00 25.00 N ATOM 357 CA GLY A 25 3.747 10.036 24.023 1.00 25.00 C ATOM 358 C GLY A 25 4.083 8.675 23.458 1.00 25.00 C ATOM 359 O GLY A 25 3.210 7.883 23.091 1.00 25.00 O ATOM 0 H GLY A 25 1.965 10.771 23.217 1.00 25.00 H new ATOM 0 HA2 GLY A 25 4.240 10.807 23.431 1.00 25.00 H new ATOM 0 HA3 GLY A 25 4.137 10.115 25.038 1.00 25.00 H new ATOM 363 N PHE A 26 5.372 8.421 23.349 1.00 25.00 N ATOM 364 CA PHE A 26 5.875 7.215 22.716 1.00 25.00 C ATOM 365 C PHE A 26 7.262 6.914 23.240 1.00 25.00 C ATOM 366 O PHE A 26 7.889 7.736 23.909 1.00 25.00 O ATOM 367 CB PHE A 26 5.937 7.427 21.201 1.00 25.00 C ATOM 368 CG PHE A 26 6.679 8.665 20.808 1.00 25.00 C ATOM 369 CD1 PHE A 26 8.063 8.628 20.556 1.00 25.00 C ATOM 370 CD2 PHE A 26 5.998 9.892 20.708 1.00 25.00 C ATOM 371 CE1 PHE A 26 8.764 9.811 20.215 1.00 25.00 C ATOM 372 CE2 PHE A 26 6.687 11.073 20.376 1.00 25.00 C ATOM 373 CZ PHE A 26 8.070 11.034 20.129 1.00 25.00 C ATOM 0 H PHE A 26 6.101 9.044 23.696 1.00 25.00 H new ATOM 0 HA PHE A 26 5.212 6.379 22.941 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.415 6.563 20.739 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.922 7.479 20.806 1.00 25.00 H new ATOM 0 HD1 PHE A 26 8.595 7.690 20.623 1.00 25.00 H new ATOM 0 HD2 PHE A 26 4.934 9.928 20.888 1.00 25.00 H new ATOM 0 HE1 PHE A 26 9.826 9.775 20.022 1.00 25.00 H new ATOM 0 HE2 PHE A 26 6.153 12.010 20.311 1.00 25.00 H new ATOM 0 HZ PHE A 26 8.600 11.940 19.874 1.00 25.00 H new ATOM 383 N TYR A 27 7.744 5.738 22.898 1.00 25.00 N ATOM 384 CA TYR A 27 9.077 5.295 23.241 1.00 25.00 C ATOM 385 C TYR A 27 9.884 5.279 21.953 1.00 25.00 C ATOM 386 O TYR A 27 9.333 5.049 20.892 1.00 25.00 O ATOM 387 CB TYR A 27 9.004 3.877 23.792 1.00 25.00 C ATOM 388 CG TYR A 27 8.300 3.732 25.129 1.00 25.00 C ATOM 389 CD1 TYR A 27 6.936 3.349 25.212 1.00 25.00 C ATOM 390 CD2 TYR A 27 9.007 3.940 26.330 1.00 25.00 C ATOM 391 CE1 TYR A 27 6.317 3.151 26.480 1.00 25.00 C ATOM 392 CE2 TYR A 27 8.381 3.754 27.590 1.00 25.00 C ATOM 393 CZ TYR A 27 7.045 3.357 27.649 1.00 25.00 C ATOM 394 OH TYR A 27 6.448 3.167 28.868 1.00 25.00 O ATOM 0 H TYR A 27 7.210 5.052 22.364 1.00 25.00 H new ATOM 0 HA TYR A 27 9.529 5.950 23.986 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.494 3.248 23.062 1.00 25.00 H new ATOM 0 HB3 TYR A 27 10.019 3.492 23.891 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.363 3.207 24.308 1.00 25.00 H new ATOM 0 HD2 TYR A 27 10.042 4.246 26.291 1.00 25.00 H new ATOM 0 HE1 TYR A 27 5.284 2.841 26.534 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.937 3.919 28.501 1.00 25.00 H new ATOM 0 HH TYR A 27 7.094 3.352 29.581 1.00 25.00 H new ATOM 404 N PHE A 28 11.197 5.447 22.034 1.00 25.00 N ATOM 405 CA PHE A 28 12.025 5.316 20.842 1.00 25.00 C ATOM 406 C PHE A 28 12.620 3.937 20.877 1.00 25.00 C ATOM 407 O PHE A 28 12.886 3.316 19.866 1.00 25.00 O ATOM 408 CB PHE A 28 13.158 6.345 20.842 1.00 25.00 C ATOM 409 CG PHE A 28 13.156 7.237 19.627 1.00 25.00 C ATOM 410 CD1 PHE A 28 12.025 8.020 19.314 1.00 25.00 C ATOM 411 CD2 PHE A 28 14.274 7.285 18.772 1.00 25.00 C ATOM 412 CE1 PHE A 28 12.008 8.845 18.158 1.00 25.00 C ATOM 413 CE2 PHE A 28 14.270 8.113 17.617 1.00 25.00 C ATOM 414 CZ PHE A 28 13.130 8.887 17.309 1.00 25.00 C ATOM 0 H PHE A 28 11.703 5.669 22.891 1.00 25.00 H new ATOM 0 HA PHE A 28 11.422 5.481 19.949 1.00 25.00 H new ATOM 0 HB2 PHE A 28 13.078 6.962 21.737 1.00 25.00 H new ATOM 0 HB3 PHE A 28 14.113 5.823 20.899 1.00 25.00 H new ATOM 0 HD1 PHE A 28 11.161 7.992 19.962 1.00 25.00 H new ATOM 0 HD2 PHE A 28 15.144 6.686 18.997 1.00 25.00 H new ATOM 0 HE1 PHE A 28 11.135 9.439 17.931 1.00 25.00 H new ATOM 0 HE2 PHE A 28 15.138 8.150 16.976 1.00 25.00 H new ATOM 0 HZ PHE A 28 13.119 9.509 16.426 1.00 25.00 H new ATOM 424 N ASN A 29 12.892 3.503 22.091 1.00 25.00 N ATOM 425 CA ASN A 29 13.684 2.319 22.339 1.00 25.00 C ATOM 426 C ASN A 29 13.204 1.538 23.527 1.00 25.00 C ATOM 427 O ASN A 29 13.931 0.741 24.099 1.00 25.00 O ATOM 428 CB ASN A 29 15.130 2.765 22.541 1.00 25.00 C ATOM 429 CG ASN A 29 15.309 3.715 23.720 1.00 25.00 C ATOM 430 OD1 ASN A 29 14.521 4.627 23.949 1.00 25.00 O ATOM 431 ND2 ASN A 29 16.363 3.523 24.451 1.00 25.00 N ATOM 0 H ASN A 29 12.566 3.967 22.939 1.00 25.00 H new ATOM 0 HA ASN A 29 13.594 1.648 21.484 1.00 25.00 H new ATOM 0 HB2 ASN A 29 15.756 1.886 22.693 1.00 25.00 H new ATOM 0 HB3 ASN A 29 15.482 3.254 21.633 1.00 25.00 H new ATOM 0 HD21 ASN A 29 16.555 4.139 25.241 1.00 25.00 H new ATOM 0 HD22 ASN A 29 17.000 2.756 24.236 1.00 25.00 H new ATOM 438 N ARG A 30 11.943 1.780 23.853 1.00 25.00 N ATOM 439 CA ARG A 30 11.199 1.043 24.886 1.00 25.00 C ATOM 440 C ARG A 30 12.017 0.625 26.106 1.00 25.00 C ATOM 441 O ARG A 30 12.061 -0.547 26.460 1.00 25.00 O ATOM 442 CB ARG A 30 10.573 -0.173 24.215 1.00 25.00 C ATOM 443 CG ARG A 30 10.075 0.176 22.841 1.00 25.00 C ATOM 444 CD ARG A 30 8.876 -0.645 22.361 1.00 25.00 C ATOM 445 NE ARG A 30 9.239 -1.996 21.905 1.00 25.00 N ATOM 446 CZ ARG A 30 8.471 -2.772 21.143 1.00 25.00 C ATOM 447 NH1 ARG A 30 7.294 -2.393 20.705 1.00 25.00 N ATOM 448 NH2 ARG A 30 8.901 -3.959 20.812 1.00 25.00 N ATOM 0 H ARG A 30 11.389 2.508 23.402 1.00 25.00 H new ATOM 0 HA ARG A 30 10.450 1.721 25.295 1.00 25.00 H new ATOM 0 HB2 ARG A 30 11.307 -0.976 24.148 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.748 -0.545 24.822 1.00 25.00 H new ATOM 0 HG2 ARG A 30 9.803 1.231 22.826 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.892 0.048 22.131 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.152 -0.725 23.172 1.00 25.00 H new ATOM 0 HD3 ARG A 30 8.384 -0.114 21.546 1.00 25.00 H new ATOM 0 HE ARG A 30 10.145 -2.365 22.194 1.00 25.00 H new ATOM 0 HH11 ARG A 30 6.933 -1.470 20.946 1.00 25.00 H new ATOM 0 HH12 ARG A 30 6.740 -3.021 20.123 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.813 -4.280 21.137 1.00 25.00 H new ATOM 0 HH22 ARG A 30 8.325 -4.566 20.229 1.00 25.00 H new ATOM 462 N PRO A 31 12.722 1.584 26.731 1.00 25.00 N ATOM 463 CA PRO A 31 13.666 1.122 27.747 1.00 25.00 C ATOM 464 C PRO A 31 13.025 0.713 29.058 1.00 25.00 C ATOM 465 O PRO A 31 13.538 -0.117 29.800 1.00 25.00 O ATOM 466 CB PRO A 31 14.542 2.347 27.965 1.00 25.00 C ATOM 467 CG PRO A 31 13.666 3.515 27.657 1.00 25.00 C ATOM 468 CD PRO A 31 12.825 3.038 26.504 1.00 25.00 C ATOM 0 HA PRO A 31 14.187 0.223 27.416 1.00 25.00 H new ATOM 0 HB2 PRO A 31 14.910 2.390 28.990 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.416 2.327 27.313 1.00 25.00 H new ATOM 0 HG2 PRO A 31 13.051 3.791 28.514 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.251 4.394 27.388 1.00 25.00 H new ATOM 0 HD2 PRO A 31 11.844 3.514 26.499 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.293 3.262 25.546 1.00 25.00 H new ATOM 476 N ALA A 32 11.920 1.388 29.328 1.00 25.00 N ATOM 477 CA ALA A 32 11.069 1.178 30.508 1.00 25.00 C ATOM 478 C ALA A 32 11.818 1.220 31.850 1.00 25.00 C ATOM 479 O ALA A 32 11.395 0.635 32.840 1.00 25.00 O ATOM 480 CB ALA A 32 10.295 -0.141 30.359 1.00 25.00 C ATOM 0 H ALA A 32 11.571 2.125 28.716 1.00 25.00 H new ATOM 0 HA ALA A 32 10.380 2.022 30.541 1.00 25.00 H new ATOM 0 HB1 ALA A 32 9.665 -0.294 31.235 1.00 25.00 H new ATOM 0 HB2 ALA A 32 9.671 -0.098 29.466 1.00 25.00 H new ATOM 0 HB3 ALA A 32 10.999 -0.968 30.270 1.00 25.00 H new ATOM 486 N SER A 33 12.917 1.947 31.872 1.00 25.00 N ATOM 487 CA SER A 33 13.758 2.045 33.056 1.00 25.00 C ATOM 488 C SER A 33 14.408 3.417 33.084 1.00 25.00 C ATOM 489 O SER A 33 14.516 4.083 32.052 1.00 25.00 O ATOM 490 CB SER A 33 14.826 0.950 33.018 1.00 25.00 C ATOM 491 OG SER A 33 15.571 1.030 31.816 1.00 25.00 O ATOM 0 H SER A 33 13.254 2.486 31.075 1.00 25.00 H new ATOM 0 HA SER A 33 13.157 1.913 33.955 1.00 25.00 H new ATOM 0 HB2 SER A 33 15.493 1.053 33.874 1.00 25.00 H new ATOM 0 HB3 SER A 33 14.355 -0.030 33.097 1.00 25.00 H new ATOM 0 HG SER A 33 15.043 0.658 31.079 1.00 25.00 H new ATOM 497 N ARG A 34 14.795 3.862 34.274 1.00 25.00 N ATOM 498 CA ARG A 34 15.372 5.201 34.456 1.00 25.00 C ATOM 499 C ARG A 34 16.693 5.127 35.215 1.00 25.00 C ATOM 500 O ARG A 34 17.153 6.107 35.768 1.00 25.00 O ATOM 501 CB ARG A 34 14.388 6.114 35.210 1.00 25.00 C ATOM 502 CG ARG A 34 13.041 6.350 34.497 1.00 25.00 C ATOM 503 CD ARG A 34 11.936 5.407 35.006 1.00 25.00 C ATOM 504 NE ARG A 34 10.636 5.680 34.363 1.00 25.00 N ATOM 505 CZ ARG A 34 9.519 4.985 34.563 1.00 25.00 C ATOM 506 NH1 ARG A 34 9.468 3.952 35.369 1.00 25.00 N ATOM 507 NH2 ARG A 34 8.429 5.339 33.940 1.00 25.00 N ATOM 0 H ARG A 34 14.722 3.318 35.134 1.00 25.00 H new ATOM 0 HA ARG A 34 15.562 5.621 33.468 1.00 25.00 H new ATOM 0 HB2 ARG A 34 14.192 5.680 36.191 1.00 25.00 H new ATOM 0 HB3 ARG A 34 14.867 7.079 35.378 1.00 25.00 H new ATOM 0 HG2 ARG A 34 12.730 7.384 34.646 1.00 25.00 H new ATOM 0 HG3 ARG A 34 13.171 6.208 33.424 1.00 25.00 H new ATOM 0 HD2 ARG A 34 12.225 4.374 34.815 1.00 25.00 H new ATOM 0 HD3 ARG A 34 11.836 5.515 36.086 1.00 25.00 H new ATOM 0 HE ARG A 34 10.590 6.465 33.713 1.00 25.00 H new ATOM 0 HH11 ARG A 34 10.305 3.655 35.870 1.00 25.00 H new ATOM 0 HH12 ARG A 34 8.591 3.446 35.495 1.00 25.00 H new ATOM 0 HH21 ARG A 34 8.440 6.140 33.308 1.00 25.00 H new ATOM 0 HH22 ARG A 34 7.566 4.815 34.084 1.00 25.00 H new ATOM 521 N VAL A 35 17.263 3.933 35.252 1.00 25.00 N ATOM 522 CA VAL A 35 18.477 3.657 36.035 1.00 25.00 C ATOM 523 C VAL A 35 19.759 4.125 35.354 1.00 25.00 C ATOM 524 O VAL A 35 20.818 4.180 35.959 1.00 25.00 O ATOM 525 CB VAL A 35 18.610 2.135 36.308 1.00 25.00 C ATOM 526 CG1 VAL A 35 17.386 1.635 37.077 1.00 25.00 C ATOM 527 CG2 VAL A 35 18.756 1.330 34.990 1.00 25.00 C ATOM 0 H VAL A 35 16.905 3.124 34.745 1.00 25.00 H new ATOM 0 HA VAL A 35 18.361 4.218 36.962 1.00 25.00 H new ATOM 0 HB VAL A 35 19.511 1.982 36.903 1.00 25.00 H new ATOM 0 HG11 VAL A 35 17.486 0.566 37.265 1.00 25.00 H new ATOM 0 HG12 VAL A 35 17.311 2.165 38.026 1.00 25.00 H new ATOM 0 HG13 VAL A 35 16.487 1.817 36.488 1.00 25.00 H new ATOM 0 HG21 VAL A 35 18.847 0.268 35.220 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.878 1.492 34.365 1.00 25.00 H new ATOM 0 HG23 VAL A 35 19.647 1.663 34.457 1.00 25.00 H new ATOM 537 N SER A 36 19.645 4.441 34.078 1.00 25.00 N ATOM 538 CA SER A 36 20.781 4.897 33.279 1.00 25.00 C ATOM 539 C SER A 36 20.426 6.262 32.708 1.00 25.00 C ATOM 540 O SER A 36 19.354 6.782 32.987 1.00 25.00 O ATOM 541 CB SER A 36 21.078 3.893 32.162 1.00 25.00 C ATOM 542 OG SER A 36 22.313 4.181 31.525 1.00 25.00 O ATOM 0 H SER A 36 18.767 4.391 33.561 1.00 25.00 H new ATOM 0 HA SER A 36 21.678 4.975 33.893 1.00 25.00 H new ATOM 0 HB2 SER A 36 21.106 2.884 32.574 1.00 25.00 H new ATOM 0 HB3 SER A 36 20.273 3.915 31.427 1.00 25.00 H new ATOM 0 HG SER A 36 22.477 3.523 30.818 1.00 25.00 H new ATOM 548 N ARG A 37 21.299 6.829 31.882 1.00 25.00 N ATOM 549 CA ARG A 37 21.065 8.158 31.287 1.00 25.00 C ATOM 550 C ARG A 37 19.949 8.181 30.233 1.00 25.00 C ATOM 551 O ARG A 37 19.644 9.230 29.687 1.00 25.00 O ATOM 552 CB ARG A 37 22.366 8.721 30.693 1.00 25.00 C ATOM 553 CG ARG A 37 23.458 8.949 31.751 1.00 25.00 C ATOM 554 CD ARG A 37 24.377 10.128 31.388 1.00 25.00 C ATOM 555 NE ARG A 37 25.267 9.848 30.245 1.00 25.00 N ATOM 556 CZ ARG A 37 26.545 9.480 30.331 1.00 25.00 C ATOM 557 NH1 ARG A 37 27.155 9.305 31.479 1.00 25.00 N ATOM 558 NH2 ARG A 37 27.226 9.290 29.235 1.00 25.00 N ATOM 0 H ARG A 37 22.179 6.395 31.603 1.00 25.00 H new ATOM 0 HA ARG A 37 20.725 8.793 32.105 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.740 8.034 29.934 1.00 25.00 H new ATOM 0 HB3 ARG A 37 22.152 9.664 30.191 1.00 25.00 H new ATOM 0 HG2 ARG A 37 22.992 9.138 32.718 1.00 25.00 H new ATOM 0 HG3 ARG A 37 24.055 8.043 31.856 1.00 25.00 H new ATOM 0 HD2 ARG A 37 23.764 10.999 31.156 1.00 25.00 H new ATOM 0 HD3 ARG A 37 24.983 10.387 32.256 1.00 25.00 H new ATOM 0 HE ARG A 37 24.871 9.944 29.310 1.00 25.00 H new ATOM 0 HH11 ARG A 37 26.649 9.451 32.353 1.00 25.00 H new ATOM 0 HH12 ARG A 37 28.135 9.023 31.498 1.00 25.00 H new ATOM 0 HH21 ARG A 37 26.780 9.423 28.328 1.00 25.00 H new ATOM 0 HH22 ARG A 37 28.205 9.008 29.285 1.00 25.00 H new ATOM 572 N ARG A 38 19.328 7.024 29.994 1.00 25.00 N ATOM 573 CA ARG A 38 18.144 6.880 29.115 1.00 25.00 C ATOM 574 C ARG A 38 18.376 7.370 27.693 1.00 25.00 C ATOM 575 O ARG A 38 17.462 7.831 27.023 1.00 25.00 O ATOM 576 CB ARG A 38 16.941 7.607 29.729 1.00 25.00 C ATOM 577 CG ARG A 38 16.546 7.057 31.082 1.00 25.00 C ATOM 578 CD ARG A 38 16.629 8.120 32.180 1.00 25.00 C ATOM 579 NE ARG A 38 15.664 9.217 31.993 1.00 25.00 N ATOM 580 CZ ARG A 38 15.481 10.222 32.844 1.00 25.00 C ATOM 581 NH1 ARG A 38 16.151 10.318 33.967 1.00 25.00 N ATOM 582 NH2 ARG A 38 14.605 11.146 32.559 1.00 25.00 N ATOM 0 H ARG A 38 19.631 6.142 30.407 1.00 25.00 H new ATOM 0 HA ARG A 38 17.944 5.811 29.044 1.00 25.00 H new ATOM 0 HB2 ARG A 38 17.176 8.667 29.828 1.00 25.00 H new ATOM 0 HB3 ARG A 38 16.092 7.531 29.050 1.00 25.00 H new ATOM 0 HG2 ARG A 38 15.530 6.666 31.032 1.00 25.00 H new ATOM 0 HG3 ARG A 38 17.197 6.221 31.337 1.00 25.00 H new ATOM 0 HD2 ARG A 38 16.453 7.650 33.147 1.00 25.00 H new ATOM 0 HD3 ARG A 38 17.638 8.531 32.204 1.00 25.00 H new ATOM 0 HE ARG A 38 15.094 9.205 31.148 1.00 25.00 H new ATOM 0 HH11 ARG A 38 16.840 9.607 34.212 1.00 25.00 H new ATOM 0 HH12 ARG A 38 15.983 11.104 34.595 1.00 25.00 H new ATOM 0 HH21 ARG A 38 14.070 11.092 31.692 1.00 25.00 H new ATOM 0 HH22 ARG A 38 14.455 11.922 33.203 1.00 25.00 H new ATOM 596 N SER A 39 19.608 7.242 27.243 1.00 25.00 N ATOM 597 CA SER A 39 19.973 7.630 25.886 1.00 25.00 C ATOM 598 C SER A 39 19.154 6.813 24.873 1.00 25.00 C ATOM 599 O SER A 39 18.904 5.619 25.096 1.00 25.00 O ATOM 600 CB SER A 39 21.464 7.381 25.678 1.00 25.00 C ATOM 601 OG SER A 39 22.207 8.003 26.716 1.00 25.00 O ATOM 0 H SER A 39 20.380 6.871 27.797 1.00 25.00 H new ATOM 0 HA SER A 39 19.759 8.688 25.736 1.00 25.00 H new ATOM 0 HB2 SER A 39 21.665 6.310 25.667 1.00 25.00 H new ATOM 0 HB3 SER A 39 21.776 7.774 24.710 1.00 25.00 H new ATOM 0 HG SER A 39 23.163 7.838 26.578 1.00 25.00 H new ATOM 607 N PRO A 40 18.717 7.438 23.762 1.00 25.00 N ATOM 608 CA PRO A 40 17.916 6.698 22.777 1.00 25.00 C ATOM 609 C PRO A 40 18.749 5.720 21.938 1.00 25.00 C ATOM 610 O PRO A 40 19.310 6.069 20.904 1.00 25.00 O ATOM 611 CB PRO A 40 17.312 7.816 21.922 1.00 25.00 C ATOM 612 CG PRO A 40 18.339 8.893 21.955 1.00 25.00 C ATOM 613 CD PRO A 40 18.902 8.848 23.357 1.00 25.00 C ATOM 0 HA PRO A 40 17.169 6.056 23.245 1.00 25.00 H new ATOM 0 HB2 PRO A 40 17.120 7.479 20.903 1.00 25.00 H new ATOM 0 HB3 PRO A 40 16.361 8.159 22.329 1.00 25.00 H new ATOM 0 HG2 PRO A 40 19.117 8.721 21.211 1.00 25.00 H new ATOM 0 HG3 PRO A 40 17.899 9.866 21.737 1.00 25.00 H new ATOM 0 HD2 PRO A 40 19.953 9.136 23.376 1.00 25.00 H new ATOM 0 HD3 PRO A 40 18.373 9.529 24.023 1.00 25.00 H new ATOM 621 N GLN A 41 18.845 4.490 22.418 1.00 25.00 N ATOM 622 CA GLN A 41 19.590 3.445 21.723 1.00 25.00 C ATOM 623 C GLN A 41 18.722 2.829 20.610 1.00 25.00 C ATOM 624 O GLN A 41 17.760 3.446 20.150 1.00 25.00 O ATOM 625 CB GLN A 41 20.059 2.378 22.722 1.00 25.00 C ATOM 626 CG GLN A 41 21.500 1.918 22.464 1.00 25.00 C ATOM 627 CD GLN A 41 21.727 0.472 22.840 1.00 25.00 C ATOM 628 OE1 GLN A 41 21.140 -0.427 22.253 1.00 25.00 O ATOM 629 NE2 GLN A 41 22.580 0.239 23.801 1.00 25.00 N ATOM 0 H GLN A 41 18.414 4.187 23.292 1.00 25.00 H new ATOM 0 HA GLN A 41 20.474 3.881 21.258 1.00 25.00 H new ATOM 0 HB2 GLN A 41 19.985 2.776 23.734 1.00 25.00 H new ATOM 0 HB3 GLN A 41 19.392 1.518 22.668 1.00 25.00 H new ATOM 0 HG2 GLN A 41 21.738 2.056 21.409 1.00 25.00 H new ATOM 0 HG3 GLN A 41 22.185 2.548 23.031 1.00 25.00 H new ATOM 0 HE21 GLN A 41 23.049 1.016 24.266 1.00 25.00 H new ATOM 0 HE22 GLN A 41 22.777 -0.720 24.087 1.00 25.00 H new ATOM 638 N ARG A 42 19.067 1.624 20.169 1.00 25.00 N ATOM 639 CA ARG A 42 18.343 0.969 19.080 1.00 25.00 C ATOM 640 C ARG A 42 16.861 0.797 19.397 1.00 25.00 C ATOM 641 O ARG A 42 16.470 0.632 20.547 1.00 25.00 O ATOM 642 CB ARG A 42 18.983 -0.382 18.750 1.00 25.00 C ATOM 643 CG ARG A 42 18.808 -1.473 19.800 1.00 25.00 C ATOM 644 CD ARG A 42 19.680 -2.665 19.431 1.00 25.00 C ATOM 645 NE ARG A 42 19.373 -3.867 20.228 1.00 25.00 N ATOM 646 CZ ARG A 42 19.867 -4.151 21.430 1.00 25.00 C ATOM 647 NH1 ARG A 42 20.675 -3.347 22.075 1.00 25.00 N ATOM 648 NH2 ARG A 42 19.535 -5.278 21.997 1.00 25.00 N ATOM 0 H ARG A 42 19.842 1.080 20.547 1.00 25.00 H new ATOM 0 HA ARG A 42 18.412 1.618 18.207 1.00 25.00 H new ATOM 0 HB2 ARG A 42 18.566 -0.740 17.809 1.00 25.00 H new ATOM 0 HB3 ARG A 42 20.050 -0.228 18.588 1.00 25.00 H new ATOM 0 HG2 ARG A 42 19.085 -1.095 20.784 1.00 25.00 H new ATOM 0 HG3 ARG A 42 17.762 -1.776 19.857 1.00 25.00 H new ATOM 0 HD2 ARG A 42 19.547 -2.893 18.373 1.00 25.00 H new ATOM 0 HD3 ARG A 42 20.728 -2.400 19.571 1.00 25.00 H new ATOM 0 HE ARG A 42 18.724 -4.541 19.821 1.00 25.00 H new ATOM 0 HH11 ARG A 42 20.951 -2.459 21.657 1.00 25.00 H new ATOM 0 HH12 ARG A 42 21.028 -3.609 22.995 1.00 25.00 H new ATOM 0 HH21 ARG A 42 18.907 -5.924 21.519 1.00 25.00 H new ATOM 0 HH22 ARG A 42 19.904 -5.513 22.918 1.00 25.00 H new ATOM 662 N GLY A 43 16.046 0.861 18.358 1.00 25.00 N ATOM 663 CA GLY A 43 14.605 0.817 18.517 1.00 25.00 C ATOM 664 C GLY A 43 13.948 1.283 17.236 1.00 25.00 C ATOM 665 O GLY A 43 14.383 0.886 16.159 1.00 25.00 O ATOM 0 H GLY A 43 16.361 0.944 17.391 1.00 25.00 H new ATOM 0 HA2 GLY A 43 14.284 -0.197 18.756 1.00 25.00 H new ATOM 0 HA3 GLY A 43 14.299 1.452 19.348 1.00 25.00 H new ATOM 669 N ILE A 44 12.951 2.152 17.332 1.00 25.00 N ATOM 670 CA ILE A 44 12.214 2.650 16.164 1.00 25.00 C ATOM 671 C ILE A 44 13.144 3.305 15.143 1.00 25.00 C ATOM 672 O ILE A 44 12.934 3.185 13.949 1.00 25.00 O ATOM 673 CB ILE A 44 11.092 3.659 16.601 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.161 3.996 15.426 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.691 4.974 17.141 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.116 2.966 15.118 1.00 25.00 C ATOM 0 H ILE A 44 12.625 2.536 18.219 1.00 25.00 H new ATOM 0 HA ILE A 44 11.747 1.789 15.686 1.00 25.00 H new ATOM 0 HB ILE A 44 10.525 3.169 17.392 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.663 4.942 15.639 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.769 4.150 14.535 1.00 25.00 H new ATOM 0 HG21 ILE A 44 10.886 5.648 17.434 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.317 4.760 18.007 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.294 5.445 16.365 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.513 3.300 14.274 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.599 2.021 14.868 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.475 2.826 15.989 1.00 25.00 H new ATOM 688 N VAL A 45 14.211 3.944 15.595 1.00 25.00 N ATOM 689 CA VAL A 45 15.148 4.570 14.674 1.00 25.00 C ATOM 690 C VAL A 45 15.802 3.519 13.774 1.00 25.00 C ATOM 691 O VAL A 45 16.029 3.762 12.604 1.00 25.00 O ATOM 692 CB VAL A 45 16.192 5.440 15.430 1.00 25.00 C ATOM 693 CG1 VAL A 45 17.013 4.603 16.412 1.00 25.00 C ATOM 694 CG2 VAL A 45 17.095 6.178 14.439 1.00 25.00 C ATOM 0 H VAL A 45 14.449 4.043 16.582 1.00 25.00 H new ATOM 0 HA VAL A 45 14.594 5.250 14.027 1.00 25.00 H new ATOM 0 HB VAL A 45 15.650 6.183 16.015 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.732 5.243 16.923 1.00 25.00 H new ATOM 0 HG12 VAL A 45 16.348 4.147 17.146 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.544 3.822 15.869 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.819 6.782 14.986 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.622 5.454 13.818 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.488 6.825 13.806 1.00 25.00 H new ATOM 704 N GLU A 46 16.035 2.320 14.278 1.00 25.00 N ATOM 705 CA GLU A 46 16.604 1.276 13.436 1.00 25.00 C ATOM 706 C GLU A 46 15.544 0.679 12.535 1.00 25.00 C ATOM 707 O GLU A 46 15.852 0.218 11.451 1.00 25.00 O ATOM 708 CB GLU A 46 17.265 0.192 14.267 1.00 25.00 C ATOM 709 CG GLU A 46 18.466 0.700 15.045 1.00 25.00 C ATOM 710 CD GLU A 46 19.559 -0.326 15.144 1.00 25.00 C ATOM 711 OE1 GLU A 46 19.403 -1.412 15.625 1.00 25.00 O ATOM 712 OE2 GLU A 46 20.697 0.083 14.680 1.00 25.00 O ATOM 0 H GLU A 46 15.846 2.046 15.242 1.00 25.00 H new ATOM 0 HA GLU A 46 17.372 1.736 12.814 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.535 -0.222 14.963 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.579 -0.621 13.613 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.855 1.597 14.563 1.00 25.00 H new ATOM 0 HG3 GLU A 46 18.150 0.989 16.048 1.00 25.00 H new ATOM 719 N GLU A 47 14.293 0.725 12.965 1.00 25.00 N ATOM 720 CA GLU A 47 13.206 0.202 12.147 1.00 25.00 C ATOM 721 C GLU A 47 12.872 1.146 10.999 1.00 25.00 C ATOM 722 O GLU A 47 12.472 0.697 9.947 1.00 25.00 O ATOM 723 CB GLU A 47 11.944 -0.007 12.991 1.00 25.00 C ATOM 724 CG GLU A 47 12.111 -0.995 14.145 1.00 25.00 C ATOM 725 CD GLU A 47 12.572 -2.350 13.689 1.00 25.00 C ATOM 726 OE1 GLU A 47 13.513 -2.917 14.169 1.00 25.00 O ATOM 727 OE2 GLU A 47 11.844 -2.864 12.747 1.00 25.00 O ATOM 0 H GLU A 47 14.005 1.113 13.863 1.00 25.00 H new ATOM 0 HA GLU A 47 13.542 -0.752 11.741 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.629 0.955 13.395 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.142 -0.358 12.342 1.00 25.00 H new ATOM 0 HG2 GLU A 47 12.829 -0.594 14.860 1.00 25.00 H new ATOM 0 HG3 GLU A 47 11.161 -1.097 14.670 1.00 25.00 H new ATOM 734 N CYS A 48 12.989 2.448 11.233 1.00 25.00 N ATOM 735 CA CYS A 48 12.539 3.449 10.256 1.00 25.00 C ATOM 736 C CYS A 48 13.628 4.272 9.557 1.00 25.00 C ATOM 737 O CYS A 48 13.375 4.826 8.503 1.00 25.00 O ATOM 738 CB CYS A 48 11.585 4.426 10.938 1.00 25.00 C ATOM 739 SG CYS A 48 10.035 3.668 11.517 1.00 25.00 S ATOM 0 H CYS A 48 13.389 2.840 12.085 1.00 25.00 H new ATOM 0 HA CYS A 48 12.070 2.856 9.471 1.00 25.00 H new ATOM 0 HB2 CYS A 48 12.094 4.881 11.788 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.346 5.230 10.242 1.00 25.00 H new ATOM 744 N CYS A 49 14.812 4.397 10.145 1.00 25.00 N ATOM 745 CA CYS A 49 15.886 5.200 9.531 1.00 25.00 C ATOM 746 C CYS A 49 16.939 4.281 8.914 1.00 25.00 C ATOM 747 O CYS A 49 17.428 4.526 7.822 1.00 25.00 O ATOM 748 CB CYS A 49 16.522 6.138 10.572 1.00 25.00 C ATOM 749 SG CYS A 49 17.619 7.429 9.884 1.00 25.00 S ATOM 0 H CYS A 49 15.060 3.963 11.034 1.00 25.00 H new ATOM 0 HA CYS A 49 15.456 5.815 8.741 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.725 6.623 11.136 1.00 25.00 H new ATOM 0 HB3 CYS A 49 17.093 5.537 11.279 1.00 25.00 H new ATOM 754 N PHE A 50 17.260 3.196 9.610 1.00 25.00 N ATOM 755 CA PHE A 50 18.221 2.212 9.092 1.00 25.00 C ATOM 756 C PHE A 50 17.504 1.151 8.249 1.00 25.00 C ATOM 757 O PHE A 50 18.142 0.371 7.542 1.00 25.00 O ATOM 758 CB PHE A 50 18.961 1.516 10.243 1.00 25.00 C ATOM 759 CG PHE A 50 19.863 2.432 11.042 1.00 25.00 C ATOM 760 CD1 PHE A 50 21.252 2.437 10.816 1.00 25.00 C ATOM 761 CD2 PHE A 50 19.336 3.276 12.037 1.00 25.00 C ATOM 762 CE1 PHE A 50 22.104 3.275 11.581 1.00 25.00 C ATOM 763 CE2 PHE A 50 20.173 4.105 12.808 1.00 25.00 C ATOM 764 CZ PHE A 50 21.557 4.107 12.584 1.00 25.00 C ATOM 0 H PHE A 50 16.876 2.971 10.528 1.00 25.00 H new ATOM 0 HA PHE A 50 18.940 2.747 8.471 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.228 1.070 10.915 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.558 0.700 9.836 1.00 25.00 H new ATOM 0 HD1 PHE A 50 21.673 1.798 10.054 1.00 25.00 H new ATOM 0 HD2 PHE A 50 18.270 3.288 12.212 1.00 25.00 H new ATOM 0 HE1 PHE A 50 23.168 3.277 11.397 1.00 25.00 H new ATOM 0 HE2 PHE A 50 19.749 4.740 13.572 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.202 4.741 13.175 1.00 25.00 H new ATOM 774 N ARG A 51 16.180 1.112 8.351 1.00 25.00 N ATOM 775 CA ARG A 51 15.343 0.163 7.600 1.00 25.00 C ATOM 776 C ARG A 51 14.071 0.898 7.220 1.00 25.00 C ATOM 777 O ARG A 51 13.885 2.033 7.615 1.00 25.00 O ATOM 778 CB ARG A 51 14.979 -1.070 8.452 1.00 25.00 C ATOM 779 CG ARG A 51 16.146 -1.982 8.804 1.00 25.00 C ATOM 780 CD ARG A 51 16.729 -2.663 7.568 1.00 25.00 C ATOM 781 NE ARG A 51 17.822 -3.586 7.920 1.00 25.00 N ATOM 782 CZ ARG A 51 18.593 -4.226 7.047 1.00 25.00 C ATOM 783 NH1 ARG A 51 18.446 -4.090 5.750 1.00 25.00 N ATOM 784 NH2 ARG A 51 19.533 -5.017 7.486 1.00 25.00 N ATOM 0 H ARG A 51 15.648 1.737 8.957 1.00 25.00 H new ATOM 0 HA ARG A 51 15.887 -0.192 6.725 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.514 -0.728 9.377 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.231 -1.654 7.916 1.00 25.00 H new ATOM 0 HG2 ARG A 51 16.924 -1.401 9.300 1.00 25.00 H new ATOM 0 HG3 ARG A 51 15.813 -2.740 9.513 1.00 25.00 H new ATOM 0 HD2 ARG A 51 15.942 -3.211 7.049 1.00 25.00 H new ATOM 0 HD3 ARG A 51 17.100 -1.907 6.876 1.00 25.00 H new ATOM 0 HE ARG A 51 18.001 -3.746 8.911 1.00 25.00 H new ATOM 0 HH11 ARG A 51 17.720 -3.476 5.381 1.00 25.00 H new ATOM 0 HH12 ARG A 51 19.058 -4.598 5.111 1.00 25.00 H new ATOM 0 HH21 ARG A 51 19.670 -5.139 8.489 1.00 25.00 H new ATOM 0 HH22 ARG A 51 20.131 -5.514 6.826 1.00 25.00 H new ATOM 798 N SER A 52 13.212 0.232 6.467 1.00 25.00 N ATOM 799 CA SER A 52 11.917 0.782 6.071 1.00 25.00 C ATOM 800 C SER A 52 10.869 0.373 7.103 1.00 25.00 C ATOM 801 O SER A 52 10.964 -0.715 7.683 1.00 25.00 O ATOM 802 CB SER A 52 11.528 0.228 4.700 1.00 25.00 C ATOM 803 OG SER A 52 10.251 0.683 4.308 1.00 25.00 O ATOM 0 H SER A 52 13.389 -0.707 6.110 1.00 25.00 H new ATOM 0 HA SER A 52 11.976 1.869 6.017 1.00 25.00 H new ATOM 0 HB2 SER A 52 12.268 0.531 3.959 1.00 25.00 H new ATOM 0 HB3 SER A 52 11.535 -0.862 4.730 1.00 25.00 H new ATOM 0 HG SER A 52 10.200 0.713 3.330 1.00 25.00 H new ATOM 809 N CYS A 53 9.871 1.220 7.313 1.00 25.00 N ATOM 810 CA CYS A 53 8.787 0.931 8.249 1.00 25.00 C ATOM 811 C CYS A 53 7.482 1.548 7.749 1.00 25.00 C ATOM 812 O CYS A 53 7.455 2.219 6.725 1.00 25.00 O ATOM 813 CB CYS A 53 9.125 1.472 9.642 1.00 25.00 C ATOM 814 SG CYS A 53 9.022 3.282 9.800 1.00 25.00 S ATOM 0 H CYS A 53 9.787 2.122 6.844 1.00 25.00 H new ATOM 0 HA CYS A 53 8.664 -0.150 8.315 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.449 1.019 10.367 1.00 25.00 H new ATOM 0 HB3 CYS A 53 10.134 1.155 9.905 1.00 25.00 H new ATOM 819 N ASP A 54 6.409 1.321 8.493 1.00 25.00 N ATOM 820 CA ASP A 54 5.087 1.848 8.159 1.00 25.00 C ATOM 821 C ASP A 54 4.470 2.320 9.474 1.00 25.00 C ATOM 822 O ASP A 54 4.962 1.945 10.548 1.00 25.00 O ATOM 823 CB ASP A 54 4.233 0.744 7.520 1.00 25.00 C ATOM 824 CG ASP A 54 3.148 1.295 6.602 1.00 25.00 C ATOM 825 OD1 ASP A 54 2.964 0.736 5.509 1.00 25.00 O ATOM 826 OD2 ASP A 54 2.465 2.267 6.990 1.00 25.00 O ATOM 0 H ASP A 54 6.427 0.765 9.348 1.00 25.00 H new ATOM 0 HA ASP A 54 5.147 2.668 7.443 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.879 0.075 6.951 1.00 25.00 H new ATOM 0 HB3 ASP A 54 3.770 0.148 8.306 1.00 25.00 H new ATOM 831 N LEU A 55 3.395 3.099 9.399 1.00 25.00 N ATOM 832 CA LEU A 55 2.701 3.643 10.576 1.00 25.00 C ATOM 833 C LEU A 55 2.261 2.533 11.502 1.00 25.00 C ATOM 834 O LEU A 55 2.188 2.700 12.709 1.00 25.00 O ATOM 835 CB LEU A 55 1.478 4.471 10.125 1.00 25.00 C ATOM 836 CG LEU A 55 0.026 3.988 10.354 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.906 5.197 10.411 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.434 3.058 9.219 1.00 25.00 C ATOM 0 H LEU A 55 2.972 3.377 8.513 1.00 25.00 H new ATOM 0 HA LEU A 55 3.393 4.287 11.119 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.564 5.445 10.607 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.588 4.635 9.053 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.006 3.436 11.293 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.930 4.860 10.572 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.606 5.850 11.231 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.848 5.745 9.471 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.458 2.734 9.406 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.390 3.593 8.270 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.220 2.187 9.175 1.00 25.00 H new ATOM 850 N ALA A 56 1.975 1.392 10.911 1.00 25.00 N ATOM 851 CA ALA A 56 1.466 0.251 11.634 1.00 25.00 C ATOM 852 C ALA A 56 2.507 -0.301 12.624 1.00 25.00 C ATOM 853 O ALA A 56 2.195 -0.575 13.774 1.00 25.00 O ATOM 854 CB ALA A 56 1.048 -0.783 10.618 1.00 25.00 C ATOM 0 H ALA A 56 2.090 1.232 9.910 1.00 25.00 H new ATOM 0 HA ALA A 56 0.608 0.540 12.240 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.657 -1.661 11.132 1.00 25.00 H new ATOM 0 HB2 ALA A 56 0.275 -0.367 9.972 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.909 -1.069 10.015 1.00 25.00 H new ATOM 860 N LEU A 57 3.755 -0.411 12.188 1.00 25.00 N ATOM 861 CA LEU A 57 4.840 -0.824 13.082 1.00 25.00 C ATOM 862 C LEU A 57 5.155 0.320 14.023 1.00 25.00 C ATOM 863 O LEU A 57 5.398 0.143 15.206 1.00 25.00 O ATOM 864 CB LEU A 57 6.091 -1.164 12.270 1.00 25.00 C ATOM 865 CG LEU A 57 7.381 -1.548 13.027 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.226 -0.330 13.423 1.00 25.00 C ATOM 867 CD2 LEU A 57 7.154 -2.470 14.227 1.00 25.00 C ATOM 0 H LEU A 57 4.045 -0.223 11.228 1.00 25.00 H new ATOM 0 HA LEU A 57 4.531 -1.705 13.644 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.839 -1.990 11.604 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.320 -0.305 11.640 1.00 25.00 H new ATOM 0 HG LEU A 57 7.951 -2.127 12.300 1.00 25.00 H new ATOM 0 HD11 LEU A 57 9.119 -0.663 13.952 1.00 25.00 H new ATOM 0 HD12 LEU A 57 8.518 0.217 12.527 1.00 25.00 H new ATOM 0 HD13 LEU A 57 7.642 0.322 14.072 1.00 25.00 H new ATOM 0 HD21 LEU A 57 8.110 -2.691 14.702 1.00 25.00 H new ATOM 0 HD22 LEU A 57 6.497 -1.978 14.945 1.00 25.00 H new ATOM 0 HD23 LEU A 57 6.693 -3.399 13.890 1.00 25.00 H new ATOM 879 N LEU A 58 5.195 1.507 13.468 1.00 25.00 N ATOM 880 CA LEU A 58 5.539 2.692 14.208 1.00 25.00 C ATOM 881 C LEU A 58 4.629 2.912 15.425 1.00 25.00 C ATOM 882 O LEU A 58 5.088 3.301 16.494 1.00 25.00 O ATOM 883 CB LEU A 58 5.474 3.829 13.208 1.00 25.00 C ATOM 884 CG LEU A 58 6.043 5.154 13.636 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.709 5.820 12.450 1.00 25.00 C ATOM 886 CD2 LEU A 58 4.948 6.013 14.179 1.00 25.00 C ATOM 0 H LEU A 58 4.988 1.677 12.484 1.00 25.00 H new ATOM 0 HA LEU A 58 6.535 2.612 14.643 1.00 25.00 H new ATOM 0 HB2 LEU A 58 5.995 3.514 12.304 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.429 3.982 12.937 1.00 25.00 H new ATOM 0 HG LEU A 58 6.788 5.005 14.417 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.122 6.781 12.757 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.511 5.182 12.077 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.974 5.977 11.661 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.359 6.974 14.490 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.195 6.173 13.408 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.490 5.520 15.037 1.00 25.00 H new ATOM 898 N GLU A 59 3.364 2.564 15.279 1.00 25.00 N ATOM 899 CA GLU A 59 2.384 2.632 16.363 1.00 25.00 C ATOM 900 C GLU A 59 2.700 1.692 17.538 1.00 25.00 C ATOM 901 O GLU A 59 2.358 1.986 18.681 1.00 25.00 O ATOM 902 CB GLU A 59 1.012 2.310 15.764 1.00 25.00 C ATOM 903 CG GLU A 59 -0.171 2.436 16.725 1.00 25.00 C ATOM 904 CD GLU A 59 -0.348 1.226 17.608 1.00 25.00 C ATOM 905 OE1 GLU A 59 0.086 0.135 17.351 1.00 25.00 O ATOM 906 OE2 GLU A 59 -1.031 1.476 18.680 1.00 25.00 O ATOM 0 H GLU A 59 2.978 2.222 14.399 1.00 25.00 H new ATOM 0 HA GLU A 59 2.408 3.635 16.788 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.841 2.972 14.915 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.035 1.292 15.374 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -0.031 3.317 17.351 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -1.083 2.595 16.150 1.00 25.00 H new ATOM 914 N THR A 60 3.404 0.600 17.281 1.00 25.00 N ATOM 915 CA THR A 60 3.772 -0.360 18.336 1.00 25.00 C ATOM 916 C THR A 60 4.689 0.278 19.383 1.00 25.00 C ATOM 917 O THR A 60 4.911 -0.274 20.464 1.00 25.00 O ATOM 918 CB THR A 60 4.468 -1.628 17.776 1.00 25.00 C ATOM 919 OG1 THR A 60 5.799 -1.307 17.364 1.00 25.00 O ATOM 920 CG2 THR A 60 3.710 -2.199 16.570 1.00 25.00 C ATOM 0 H THR A 60 3.738 0.347 16.351 1.00 25.00 H new ATOM 0 HA THR A 60 2.831 -0.656 18.800 1.00 25.00 H new ATOM 0 HB THR A 60 4.481 -2.374 18.570 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.776 -0.546 16.747 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.226 -3.087 16.203 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.697 -2.466 16.870 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.669 -1.451 15.779 1.00 25.00 H new ATOM 928 N TYR A 61 5.282 1.408 19.023 1.00 25.00 N ATOM 929 CA TYR A 61 6.180 2.133 19.910 1.00 25.00 C ATOM 930 C TYR A 61 5.463 3.204 20.755 1.00 25.00 C ATOM 931 O TYR A 61 6.114 3.896 21.540 1.00 25.00 O ATOM 932 CB TYR A 61 7.295 2.773 19.081 1.00 25.00 C ATOM 933 CG TYR A 61 8.460 1.838 18.844 1.00 25.00 C ATOM 934 CD1 TYR A 61 9.563 1.853 19.722 1.00 25.00 C ATOM 935 CD2 TYR A 61 8.478 0.935 17.749 1.00 25.00 C ATOM 936 CE1 TYR A 61 10.659 0.984 19.532 1.00 25.00 C ATOM 937 CE2 TYR A 61 9.579 0.074 17.547 1.00 25.00 C ATOM 938 CZ TYR A 61 10.655 0.095 18.446 1.00 25.00 C ATOM 939 OH TYR A 61 11.714 -0.756 18.258 1.00 25.00 O ATOM 0 H TYR A 61 5.154 1.846 18.111 1.00 25.00 H new ATOM 0 HA TYR A 61 6.594 1.413 20.616 1.00 25.00 H new ATOM 0 HB2 TYR A 61 6.890 3.092 18.121 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.652 3.669 19.590 1.00 25.00 H new ATOM 0 HD1 TYR A 61 9.569 2.541 20.554 1.00 25.00 H new ATOM 0 HD2 TYR A 61 7.643 0.906 17.065 1.00 25.00 H new ATOM 0 HE1 TYR A 61 11.494 1.003 20.217 1.00 25.00 H new ATOM 0 HE2 TYR A 61 9.592 -0.599 16.702 1.00 25.00 H new ATOM 0 HH TYR A 61 11.555 -1.306 17.463 1.00 25.00 H new ATOM 949 N CYS A 62 4.145 3.331 20.633 1.00 25.00 N ATOM 950 CA CYS A 62 3.395 4.294 21.453 1.00 25.00 C ATOM 951 C CYS A 62 3.503 3.954 22.935 1.00 25.00 C ATOM 952 O CYS A 62 3.712 2.803 23.309 1.00 25.00 O ATOM 953 CB CYS A 62 1.910 4.317 21.068 1.00 25.00 C ATOM 954 SG CYS A 62 1.575 4.975 19.406 1.00 25.00 S ATOM 0 H CYS A 62 3.574 2.789 19.984 1.00 25.00 H new ATOM 0 HA CYS A 62 3.834 5.274 21.267 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.515 3.303 21.130 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.367 4.916 21.799 1.00 25.00 H new ATOM 959 N ALA A 63 3.357 4.964 23.783 1.00 25.00 N ATOM 960 CA ALA A 63 3.449 4.756 25.221 1.00 25.00 C ATOM 961 C ALA A 63 2.165 4.106 25.737 1.00 25.00 C ATOM 962 O ALA A 63 2.186 3.263 26.631 1.00 25.00 O ATOM 963 CB ALA A 63 3.711 6.088 25.926 1.00 25.00 C ATOM 0 H ALA A 63 3.176 5.928 23.502 1.00 25.00 H new ATOM 0 HA ALA A 63 4.282 4.086 25.436 1.00 25.00 H new ATOM 0 HB1 ALA A 63 3.778 5.923 27.001 1.00 25.00 H new ATOM 0 HB2 ALA A 63 4.647 6.513 25.565 1.00 25.00 H new ATOM 0 HB3 ALA A 63 2.894 6.778 25.715 1.00 25.00 H new ATOM 969 N THR A 64 1.061 4.529 25.145 1.00 25.00 N ATOM 970 CA THR A 64 -0.281 4.037 25.451 1.00 25.00 C ATOM 971 C THR A 64 -1.126 4.632 24.305 1.00 25.00 C ATOM 972 O THR A 64 -0.696 5.615 23.689 1.00 25.00 O ATOM 973 CB THR A 64 -0.745 4.498 26.884 1.00 25.00 C ATOM 974 OG1 THR A 64 -1.874 3.742 27.320 1.00 25.00 O ATOM 975 CG2 THR A 64 -1.105 5.944 26.925 1.00 25.00 C ATOM 0 H THR A 64 1.069 5.244 24.417 1.00 25.00 H new ATOM 0 HA THR A 64 -0.362 2.951 25.496 1.00 25.00 H new ATOM 0 HB THR A 64 0.103 4.328 27.547 1.00 25.00 H new ATOM 0 HG1 THR A 64 -2.145 4.043 28.212 1.00 25.00 H new ATOM 0 HG21 THR A 64 -1.418 6.213 27.934 1.00 25.00 H new ATOM 0 HG22 THR A 64 -0.239 6.543 26.642 1.00 25.00 H new ATOM 0 HG23 THR A 64 -1.921 6.136 26.229 1.00 25.00 H new ATOM 983 N PRO A 65 -2.273 4.022 23.951 1.00 25.00 N ATOM 984 CA PRO A 65 -3.061 4.563 22.833 1.00 25.00 C ATOM 985 C PRO A 65 -3.821 5.851 23.161 1.00 25.00 C ATOM 986 O PRO A 65 -4.095 6.158 24.324 1.00 25.00 O ATOM 987 CB PRO A 65 -4.043 3.430 22.535 1.00 25.00 C ATOM 988 CG PRO A 65 -4.261 2.793 23.854 1.00 25.00 C ATOM 989 CD PRO A 65 -2.901 2.813 24.509 1.00 25.00 C ATOM 0 HA PRO A 65 -2.417 4.849 22.001 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -4.975 3.809 22.115 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -3.632 2.724 21.813 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -4.995 3.342 24.444 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -4.636 1.775 23.747 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -2.978 2.865 25.595 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -2.328 1.917 24.273 1.00 25.00 H new ATOM 997 N ALA A 66 -4.167 6.597 22.120 1.00 25.00 N ATOM 998 CA ALA A 66 -4.903 7.850 22.267 1.00 25.00 C ATOM 999 C ALA A 66 -6.392 7.614 22.526 1.00 25.00 C ATOM 1000 O ALA A 66 -6.963 6.617 22.092 1.00 25.00 O ATOM 1001 CB ALA A 66 -4.729 8.701 20.999 1.00 25.00 C ATOM 0 H ALA A 66 -3.948 6.354 21.154 1.00 25.00 H new ATOM 0 HA ALA A 66 -4.496 8.374 23.132 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -5.279 9.636 21.110 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -3.671 8.918 20.848 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -5.113 8.154 20.138 1.00 25.00 H new ATOM 1007 N LYS A 67 -7.026 8.594 23.158 1.00 25.00 N ATOM 1008 CA LYS A 67 -8.476 8.608 23.338 1.00 25.00 C ATOM 1009 C LYS A 67 -8.959 10.008 22.995 1.00 25.00 C ATOM 1010 O LYS A 67 -8.669 10.956 23.711 1.00 25.00 O ATOM 1011 CB LYS A 67 -8.854 8.238 24.780 1.00 25.00 C ATOM 1012 CG LYS A 67 -10.364 8.204 25.026 1.00 25.00 C ATOM 1013 CD LYS A 67 -10.686 7.717 26.438 1.00 25.00 C ATOM 1014 CE LYS A 67 -12.198 7.690 26.694 1.00 25.00 C ATOM 1015 NZ LYS A 67 -12.727 9.031 27.119 1.00 25.00 N ATOM 0 H LYS A 67 -6.551 9.402 23.561 1.00 25.00 H new ATOM 0 HA LYS A 67 -8.948 7.870 22.689 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -8.433 7.261 25.018 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -8.399 8.956 25.462 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -10.781 9.200 24.879 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -10.839 7.549 24.296 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -10.274 6.718 26.582 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -10.204 8.369 27.167 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -12.712 7.369 25.788 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -12.421 6.953 27.465 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -13.736 9.098 26.878 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -12.608 9.141 28.146 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -12.203 9.783 26.627 1.00 25.00 H new ATOM 1029 N SER A 68 -9.661 10.127 21.880 1.00 25.00 N ATOM 1030 CA SER A 68 -10.191 11.408 21.402 1.00 25.00 C ATOM 1031 C SER A 68 -11.690 11.470 21.686 1.00 25.00 C ATOM 1032 O SER A 68 -12.474 11.972 20.879 1.00 25.00 O ATOM 1033 CB SER A 68 -9.942 11.524 19.900 1.00 25.00 C ATOM 1034 OG SER A 68 -10.544 10.435 19.222 1.00 25.00 O ATOM 0 H SER A 68 -9.884 9.338 21.273 1.00 25.00 H new ATOM 0 HA SER A 68 -9.694 12.231 21.915 1.00 25.00 H new ATOM 0 HB2 SER A 68 -10.349 12.464 19.527 1.00 25.00 H new ATOM 0 HB3 SER A 68 -8.870 11.539 19.701 1.00 25.00 H new ATOM 0 HG SER A 68 -10.381 10.518 18.259 1.00 25.00 H new ATOM 1040 N GLU A 69 -12.082 10.874 22.803 1.00 25.00 N ATOM 1041 CA GLU A 69 -13.481 10.770 23.222 1.00 25.00 C ATOM 1042 C GLU A 69 -13.471 10.857 24.738 1.00 25.00 C ATOM 1043 O GLU A 69 -14.492 10.553 25.383 1.00 25.00 O ATOM 1044 CB GLU A 69 -14.085 9.423 22.792 1.00 25.00 C ATOM 1045 CG GLU A 69 -14.169 9.226 21.282 1.00 25.00 C ATOM 1046 CD GLU A 69 -14.856 7.945 20.905 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -14.977 7.007 21.647 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -15.301 7.942 19.689 1.00 25.00 O ATOM 1049 OXT GLU A 69 -12.368 11.105 25.268 1.00 25.00 O ATOM 0 H GLU A 69 -11.430 10.441 23.457 1.00 25.00 H new ATOM 0 HA GLU A 69 -14.081 11.558 22.766 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -13.488 8.617 23.219 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -15.086 9.336 23.214 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -14.705 10.066 20.839 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -13.163 9.232 20.862 1.00 25.00 H new TER 1056 GLU A 69