USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot -60:sc= 1.05 USER MOD Single : A 4 THR OG1 : rot -47:sc= 1.18 USER MOD Single : A 5 SER OG : rot -59:sc= 0.682 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 176:sc= 0 (180deg=-0.00627) USER MOD Single : A 50 SER OG : rot 150:sc= 0.277 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 57 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -25.963 1.394 -11.440 1.00 0.00 N ATOM 2 CA ALA A 2 -26.142 -0.012 -10.991 1.00 0.00 C ATOM 3 C ALA A 2 -26.012 -0.980 -12.163 1.00 0.00 C ATOM 4 O ALA A 2 -26.869 -1.022 -13.044 1.00 0.00 O ATOM 5 CB ALA A 2 -27.495 -0.180 -10.315 1.00 0.00 C ATOM 0 HA ALA A 2 -25.356 -0.243 -10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.614 -1.214 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.554 0.481 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -28.288 0.073 -11.019 1.00 0.00 H new ATOM 13 N SER A 3 -24.934 -1.757 -12.164 1.00 0.00 N ATOM 14 CA SER A 3 -24.692 -2.725 -13.227 1.00 0.00 C ATOM 15 C SER A 3 -24.580 -2.030 -14.581 1.00 0.00 C ATOM 16 O SER A 3 -25.334 -2.327 -15.508 1.00 0.00 O ATOM 17 CB SER A 3 -25.812 -3.765 -13.262 1.00 0.00 C ATOM 18 OG SER A 3 -25.701 -4.598 -14.403 1.00 0.00 O ATOM 0 H SER A 3 -24.215 -1.735 -11.441 1.00 0.00 H new ATOM 0 HA SER A 3 -23.747 -3.228 -13.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.775 -4.374 -12.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.779 -3.262 -13.268 1.00 0.00 H new ATOM 0 HG SER A 3 -25.754 -4.051 -15.214 1.00 0.00 H new ATOM 24 N THR A 4 -23.635 -1.102 -14.687 1.00 0.00 N ATOM 25 CA THR A 4 -23.425 -0.362 -15.927 1.00 0.00 C ATOM 26 C THR A 4 -21.987 -0.514 -16.412 1.00 0.00 C ATOM 27 O THR A 4 -21.424 0.402 -17.011 1.00 0.00 O ATOM 28 CB THR A 4 -23.752 1.118 -15.723 1.00 0.00 C ATOM 29 OG1 THR A 4 -23.506 1.853 -16.909 1.00 0.00 O ATOM 30 CG2 THR A 4 -22.954 1.761 -14.610 1.00 0.00 C ATOM 0 H THR A 4 -23.002 -0.844 -13.930 1.00 0.00 H new ATOM 0 HA THR A 4 -24.092 -0.773 -16.685 1.00 0.00 H new ATOM 0 HB THR A 4 -24.807 1.146 -15.452 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.629 1.607 -17.270 1.00 0.00 H new ATOM 0 HG21 THR A 4 -23.236 2.810 -14.520 1.00 0.00 H new ATOM 0 HG22 THR A 4 -23.160 1.248 -13.671 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.890 1.689 -14.837 1.00 0.00 H new ATOM 38 N SER A 5 -21.399 -1.678 -16.151 1.00 0.00 N ATOM 39 CA SER A 5 -20.027 -1.950 -16.563 1.00 0.00 C ATOM 40 C SER A 5 -19.059 -0.963 -15.915 1.00 0.00 C ATOM 41 O SER A 5 -18.121 -0.486 -16.553 1.00 0.00 O ATOM 42 CB SER A 5 -19.905 -1.877 -18.086 1.00 0.00 C ATOM 43 OG SER A 5 -18.600 -2.230 -18.511 1.00 0.00 O ATOM 0 H SER A 5 -21.851 -2.447 -15.656 1.00 0.00 H new ATOM 0 HA SER A 5 -19.768 -2.956 -16.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.633 -2.546 -18.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.141 -0.868 -18.425 1.00 0.00 H new ATOM 0 HG SER A 5 -17.948 -1.621 -18.105 1.00 0.00 H new ATOM 49 N ARG A 6 -19.296 -0.660 -14.641 1.00 0.00 N ATOM 50 CA ARG A 6 -18.446 0.269 -13.905 1.00 0.00 C ATOM 51 C ARG A 6 -17.862 -0.396 -12.663 1.00 0.00 C ATOM 52 O ARG A 6 -18.565 -0.629 -11.682 1.00 0.00 O ATOM 53 CB ARG A 6 -19.244 1.513 -13.505 1.00 0.00 C ATOM 54 CG ARG A 6 -18.463 2.809 -13.651 1.00 0.00 C ATOM 55 CD ARG A 6 -17.613 3.088 -12.423 1.00 0.00 C ATOM 56 NE ARG A 6 -17.527 4.516 -12.129 1.00 0.00 N ATOM 57 CZ ARG A 6 -16.805 5.377 -12.841 1.00 0.00 C ATOM 58 NH1 ARG A 6 -16.104 4.961 -13.889 1.00 0.00 N ATOM 59 NH2 ARG A 6 -16.783 6.660 -12.506 1.00 0.00 N ATOM 0 H ARG A 6 -20.069 -1.045 -14.098 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.624 0.566 -14.556 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.144 1.570 -14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.569 1.409 -12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.824 2.753 -14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.155 3.636 -13.812 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.035 2.566 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.611 2.689 -12.578 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.051 4.874 -11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.117 3.976 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.553 5.627 -14.431 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.320 6.987 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.229 7.320 -13.052 1.00 0.00 H new ATOM 73 N LEU A 7 -16.568 -0.698 -12.714 1.00 0.00 N ATOM 74 CA LEU A 7 -15.888 -1.336 -11.593 1.00 0.00 C ATOM 75 C LEU A 7 -14.892 -0.379 -10.944 1.00 0.00 C ATOM 76 O LEU A 7 -14.022 0.176 -11.614 1.00 0.00 O ATOM 77 CB LEU A 7 -15.168 -2.603 -12.062 1.00 0.00 C ATOM 78 CG LEU A 7 -15.926 -3.908 -11.812 1.00 0.00 C ATOM 79 CD1 LEU A 7 -16.033 -4.186 -10.320 1.00 0.00 C ATOM 80 CD2 LEU A 7 -17.309 -3.850 -12.445 1.00 0.00 C ATOM 0 H LEU A 7 -15.970 -0.511 -13.519 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.638 -1.607 -10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.969 -2.515 -13.130 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.202 -2.660 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.370 -4.723 -12.274 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.575 -5.118 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.034 -4.270 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.567 -3.369 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.834 -4.786 -12.258 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.873 -3.024 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.211 -3.698 -13.520 1.00 0.00 H new ATOM 92 N ASP A 8 -15.029 -0.192 -9.635 1.00 0.00 N ATOM 93 CA ASP A 8 -14.143 0.697 -8.893 1.00 0.00 C ATOM 94 C ASP A 8 -13.922 0.184 -7.476 1.00 0.00 C ATOM 95 O ASP A 8 -12.834 -0.275 -7.131 1.00 0.00 O ATOM 96 CB ASP A 8 -14.724 2.114 -8.855 1.00 0.00 C ATOM 97 CG ASP A 8 -14.052 3.040 -9.849 1.00 0.00 C ATOM 98 OD1 ASP A 8 -13.512 2.537 -10.858 1.00 0.00 O ATOM 99 OD2 ASP A 8 -14.065 4.268 -9.620 1.00 0.00 O ATOM 0 H ASP A 8 -15.745 -0.644 -9.067 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.180 0.722 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.792 2.072 -9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.614 2.522 -7.850 1.00 0.00 H new ATOM 104 N ALA A 9 -14.965 0.267 -6.661 1.00 0.00 N ATOM 105 CA ALA A 9 -14.896 -0.187 -5.278 1.00 0.00 C ATOM 106 C ALA A 9 -14.506 -1.660 -5.201 1.00 0.00 C ATOM 107 O ALA A 9 -14.453 -2.352 -6.218 1.00 0.00 O ATOM 108 CB ALA A 9 -16.227 0.044 -4.580 1.00 0.00 C ATOM 0 H ALA A 9 -15.872 0.646 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.125 0.393 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.161 -0.300 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.465 1.108 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.010 -0.510 -5.098 1.00 0.00 H new ATOM 114 N LEU A 10 -14.233 -2.133 -3.989 1.00 0.00 N ATOM 115 CA LEU A 10 -13.849 -3.524 -3.780 1.00 0.00 C ATOM 116 C LEU A 10 -12.563 -3.852 -4.536 1.00 0.00 C ATOM 117 O LEU A 10 -12.605 -4.425 -5.625 1.00 0.00 O ATOM 118 CB LEU A 10 -14.973 -4.459 -4.230 1.00 0.00 C ATOM 119 CG LEU A 10 -16.281 -4.322 -3.450 1.00 0.00 C ATOM 120 CD1 LEU A 10 -17.063 -3.109 -3.928 1.00 0.00 C ATOM 121 CD2 LEU A 10 -17.117 -5.585 -3.589 1.00 0.00 C ATOM 0 H LEU A 10 -14.271 -1.573 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.671 -3.670 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.176 -4.276 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.624 -5.488 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.041 -4.181 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -17.991 -3.028 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.466 -2.209 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.293 -3.219 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -18.045 -5.471 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.348 -5.755 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.559 -6.436 -3.198 1.00 0.00 H new ATOM 133 N PRO A 11 -11.400 -3.495 -3.965 1.00 0.00 N ATOM 134 CA PRO A 11 -10.100 -3.757 -4.592 1.00 0.00 C ATOM 135 C PRO A 11 -9.769 -5.245 -4.634 1.00 0.00 C ATOM 136 O PRO A 11 -10.572 -6.081 -4.220 1.00 0.00 O ATOM 137 CB PRO A 11 -9.111 -3.015 -3.689 1.00 0.00 C ATOM 138 CG PRO A 11 -9.792 -2.930 -2.368 1.00 0.00 C ATOM 139 CD PRO A 11 -11.260 -2.810 -2.667 1.00 0.00 C ATOM 0 HA PRO A 11 -10.076 -3.429 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.165 -3.552 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.884 -2.024 -4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.587 -3.815 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.438 -2.069 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.867 -3.283 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.574 -1.768 -2.726 1.00 0.00 H new ATOM 147 N ARG A 12 -8.582 -5.568 -5.136 1.00 0.00 N ATOM 148 CA ARG A 12 -8.146 -6.956 -5.232 1.00 0.00 C ATOM 149 C ARG A 12 -6.632 -7.064 -5.080 1.00 0.00 C ATOM 150 O ARG A 12 -5.888 -6.923 -6.052 1.00 0.00 O ATOM 151 CB ARG A 12 -8.582 -7.559 -6.570 1.00 0.00 C ATOM 152 CG ARG A 12 -9.820 -8.436 -6.465 1.00 0.00 C ATOM 153 CD ARG A 12 -9.557 -9.671 -5.620 1.00 0.00 C ATOM 154 NE ARG A 12 -10.729 -10.059 -4.839 1.00 0.00 N ATOM 155 CZ ARG A 12 -10.816 -11.193 -4.147 1.00 0.00 C ATOM 156 NH1 ARG A 12 -9.804 -12.052 -4.136 1.00 0.00 N ATOM 157 NH2 ARG A 12 -11.918 -11.470 -3.465 1.00 0.00 N ATOM 0 H ARG A 12 -7.905 -4.888 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.614 -7.514 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.777 -6.752 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.762 -8.149 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.638 -7.862 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.139 -8.738 -7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.263 -10.497 -6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.721 -9.479 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.527 -9.424 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.954 -11.845 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.877 -12.919 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.699 -10.814 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.985 -12.339 -2.935 1.00 0.00 H new ATOM 171 N VAL A 13 -6.182 -7.315 -3.855 1.00 0.00 N ATOM 172 CA VAL A 13 -4.758 -7.444 -3.575 1.00 0.00 C ATOM 173 C VAL A 13 -4.377 -8.900 -3.335 1.00 0.00 C ATOM 174 O VAL A 13 -4.239 -9.337 -2.192 1.00 0.00 O ATOM 175 CB VAL A 13 -4.349 -6.609 -2.346 1.00 0.00 C ATOM 176 CG1 VAL A 13 -2.838 -6.597 -2.185 1.00 0.00 C ATOM 177 CG2 VAL A 13 -4.892 -5.192 -2.458 1.00 0.00 C ATOM 0 H VAL A 13 -6.784 -7.433 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.227 -7.071 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.781 -7.070 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.570 -6.002 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.478 -7.617 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.381 -6.163 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.593 -4.617 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.493 -4.719 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.980 -5.223 -2.518 1.00 0.00 H new ATOM 187 N THR A 14 -4.212 -9.651 -4.420 1.00 0.00 N ATOM 188 CA THR A 14 -3.851 -11.061 -4.324 1.00 0.00 C ATOM 189 C THR A 14 -2.537 -11.343 -5.046 1.00 0.00 C ATOM 190 O THR A 14 -2.051 -10.519 -5.820 1.00 0.00 O ATOM 191 CB THR A 14 -4.962 -11.935 -4.908 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.558 -11.306 -6.029 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.063 -12.243 -3.917 1.00 0.00 C ATOM 0 H THR A 14 -4.322 -9.307 -5.374 1.00 0.00 H new ATOM 0 HA THR A 14 -3.722 -11.302 -3.269 1.00 0.00 H new ATOM 0 HB THR A 14 -4.477 -12.869 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.265 -11.881 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.819 -12.866 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.644 -12.772 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.520 -11.313 -3.580 1.00 0.00 H new ATOM 201 N CYS A 15 -1.971 -12.515 -4.784 1.00 0.00 N ATOM 202 CA CYS A 15 -0.715 -12.921 -5.402 1.00 0.00 C ATOM 203 C CYS A 15 -0.917 -13.240 -6.884 1.00 0.00 C ATOM 204 O CYS A 15 -1.882 -13.909 -7.253 1.00 0.00 O ATOM 205 CB CYS A 15 -0.156 -14.145 -4.677 1.00 0.00 C ATOM 206 SG CYS A 15 1.468 -14.691 -5.261 1.00 0.00 S ATOM 0 H CYS A 15 -2.365 -13.204 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.006 -12.097 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.088 -13.921 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.862 -14.969 -4.785 1.00 0.00 H new ATOM 211 N PRO A 16 -0.010 -12.766 -7.755 1.00 0.00 N ATOM 212 CA PRO A 16 -0.103 -13.010 -9.200 1.00 0.00 C ATOM 213 C PRO A 16 0.039 -14.489 -9.552 1.00 0.00 C ATOM 214 O PRO A 16 -0.459 -14.941 -10.583 1.00 0.00 O ATOM 215 CB PRO A 16 1.067 -12.208 -9.780 1.00 0.00 C ATOM 216 CG PRO A 16 2.020 -12.043 -8.647 1.00 0.00 C ATOM 217 CD PRO A 16 1.174 -11.960 -7.408 1.00 0.00 C ATOM 0 HA PRO A 16 -1.075 -12.715 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.532 -12.735 -10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.734 -11.242 -10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.712 -12.884 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.622 -11.143 -8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.694 -12.361 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.905 -10.930 -7.172 1.00 0.00 H new ATOM 225 N ASN A 17 0.724 -15.236 -8.692 1.00 0.00 N ATOM 226 CA ASN A 17 0.934 -16.663 -8.915 1.00 0.00 C ATOM 227 C ASN A 17 0.135 -17.510 -7.923 1.00 0.00 C ATOM 228 O ASN A 17 -0.012 -18.718 -8.107 1.00 0.00 O ATOM 229 CB ASN A 17 2.421 -17.001 -8.805 1.00 0.00 C ATOM 230 CG ASN A 17 3.177 -16.704 -10.084 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.683 -17.612 -10.746 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.261 -15.427 -10.440 1.00 0.00 N ATOM 0 H ASN A 17 1.143 -14.877 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 17 0.582 -16.896 -9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.861 -16.432 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.534 -18.056 -8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.759 -15.167 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.827 -14.707 -9.862 1.00 0.00 H new ATOM 239 N HIS A 18 -0.376 -16.875 -6.872 1.00 0.00 N ATOM 240 CA HIS A 18 -1.155 -17.579 -5.859 1.00 0.00 C ATOM 241 C HIS A 18 -2.553 -16.979 -5.732 1.00 0.00 C ATOM 242 O HIS A 18 -2.803 -16.147 -4.862 1.00 0.00 O ATOM 243 CB HIS A 18 -0.444 -17.527 -4.504 1.00 0.00 C ATOM 244 CG HIS A 18 0.759 -18.408 -4.420 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.987 -17.918 -4.028 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.861 -19.736 -4.659 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.797 -18.968 -4.030 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.160 -20.086 -4.408 1.00 0.00 N ATOM 0 H HIS A 18 -0.265 -15.876 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.249 -18.619 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.145 -16.499 -4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.148 -17.814 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.069 -20.394 -4.985 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.842 -18.928 -3.760 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.566 -21.018 -4.492 1.00 0.00 H new ATOM 256 N PRO A 19 -3.489 -17.401 -6.600 1.00 0.00 N ATOM 257 CA PRO A 19 -4.868 -16.902 -6.573 1.00 0.00 C ATOM 258 C PRO A 19 -5.595 -17.306 -5.295 1.00 0.00 C ATOM 259 O PRO A 19 -6.493 -16.603 -4.830 1.00 0.00 O ATOM 260 CB PRO A 19 -5.516 -17.565 -7.792 1.00 0.00 C ATOM 261 CG PRO A 19 -4.680 -18.767 -8.068 1.00 0.00 C ATOM 262 CD PRO A 19 -3.280 -18.396 -7.667 1.00 0.00 C ATOM 0 HA PRO A 19 -4.910 -15.813 -6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.550 -17.842 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.530 -16.890 -8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.034 -19.628 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.725 -19.040 -9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.721 -19.260 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.719 -17.978 -8.503 1.00 0.00 H new ATOM 270 N ASP A 20 -5.197 -18.441 -4.729 1.00 0.00 N ATOM 271 CA ASP A 20 -5.804 -18.938 -3.501 1.00 0.00 C ATOM 272 C ASP A 20 -5.247 -18.199 -2.290 1.00 0.00 C ATOM 273 O ASP A 20 -5.996 -17.780 -1.406 1.00 0.00 O ATOM 274 CB ASP A 20 -5.557 -20.441 -3.357 1.00 0.00 C ATOM 275 CG ASP A 20 -6.619 -21.270 -4.051 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.732 -20.748 -4.270 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.337 -22.443 -4.377 1.00 0.00 O ATOM 0 H ASP A 20 -4.456 -19.034 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.878 -18.760 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.579 -20.687 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.530 -20.702 -2.299 1.00 0.00 H new ATOM 282 N ALA A 21 -3.928 -18.037 -2.258 1.00 0.00 N ATOM 283 CA ALA A 21 -3.269 -17.343 -1.159 1.00 0.00 C ATOM 284 C ALA A 21 -3.556 -15.848 -1.214 1.00 0.00 C ATOM 285 O ALA A 21 -4.054 -15.339 -2.217 1.00 0.00 O ATOM 286 CB ALA A 21 -1.770 -17.597 -1.199 1.00 0.00 C ATOM 0 H ALA A 21 -3.295 -18.377 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.665 -17.732 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.290 -17.073 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.580 -18.667 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.365 -17.234 -2.143 1.00 0.00 H new ATOM 292 N ILE A 22 -3.242 -15.147 -0.130 1.00 0.00 N ATOM 293 CA ILE A 22 -3.472 -13.709 -0.062 1.00 0.00 C ATOM 294 C ILE A 22 -2.319 -12.994 0.632 1.00 0.00 C ATOM 295 O ILE A 22 -1.985 -13.299 1.777 1.00 0.00 O ATOM 296 CB ILE A 22 -4.782 -13.384 0.682 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.927 -14.245 0.147 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.114 -11.906 0.547 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.255 -13.978 -1.306 1.00 0.00 C ATOM 0 H ILE A 22 -2.829 -15.550 0.711 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.546 -13.356 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.648 -13.611 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.666 -15.297 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.817 -14.068 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.042 -11.692 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.306 -11.311 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.232 -11.654 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.076 -14.624 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.547 -12.935 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.378 -14.183 -1.920 1.00 0.00 H new ATOM 311 N LEU A 23 -1.718 -12.035 -0.066 1.00 0.00 N ATOM 312 CA LEU A 23 -0.607 -11.269 0.485 1.00 0.00 C ATOM 313 C LEU A 23 -1.024 -10.573 1.776 1.00 0.00 C ATOM 314 O LEU A 23 -1.943 -9.755 1.783 1.00 0.00 O ATOM 315 CB LEU A 23 -0.125 -10.232 -0.530 1.00 0.00 C ATOM 316 CG LEU A 23 0.917 -10.743 -1.522 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.309 -11.790 -2.440 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.491 -9.592 -2.332 1.00 0.00 C ATOM 0 H LEU A 23 -1.983 -11.770 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 23 0.208 -11.958 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.986 -9.862 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.294 -9.383 0.010 1.00 0.00 H new ATOM 0 HG LEU A 23 1.728 -11.207 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.066 -12.143 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.055 -12.628 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.521 -11.351 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.232 -9.975 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.690 -9.100 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.964 -8.875 -1.661 1.00 0.00 H new ATOM 330 N VAL A 24 -0.345 -10.902 2.867 1.00 0.00 N ATOM 331 CA VAL A 24 -0.649 -10.308 4.163 1.00 0.00 C ATOM 332 C VAL A 24 0.275 -9.132 4.458 1.00 0.00 C ATOM 333 O VAL A 24 1.353 -9.016 3.877 1.00 0.00 O ATOM 334 CB VAL A 24 -0.528 -11.337 5.302 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.114 -10.780 6.590 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.211 -12.642 4.919 1.00 0.00 C ATOM 0 H VAL A 24 0.420 -11.577 2.881 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.680 -9.957 4.112 1.00 0.00 H new ATOM 0 HB VAL A 24 0.529 -11.542 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.019 -11.521 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.576 -9.875 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.167 -10.544 6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.115 -13.357 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.267 -12.456 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.741 -13.049 4.024 1.00 0.00 H new ATOM 346 N GLU A 25 -0.157 -8.260 5.363 1.00 0.00 N ATOM 347 CA GLU A 25 0.628 -7.090 5.735 1.00 0.00 C ATOM 348 C GLU A 25 1.144 -7.209 7.165 1.00 0.00 C ATOM 349 O GLU A 25 0.804 -8.150 7.882 1.00 0.00 O ATOM 350 CB GLU A 25 -0.212 -5.820 5.586 1.00 0.00 C ATOM 351 CG GLU A 25 0.564 -4.640 5.023 1.00 0.00 C ATOM 352 CD GLU A 25 -0.171 -3.942 3.895 1.00 0.00 C ATOM 353 OE1 GLU A 25 -0.943 -4.618 3.181 1.00 0.00 O ATOM 354 OE2 GLU A 25 0.024 -2.721 3.724 1.00 0.00 O ATOM 0 H GLU A 25 -1.048 -8.342 5.853 1.00 0.00 H new ATOM 0 HA GLU A 25 1.486 -7.032 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.061 -6.030 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.617 -5.546 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.759 -3.924 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.532 -4.986 4.661 1.00 0.00 H new ATOM 361 N ASP A 26 1.966 -6.247 7.574 1.00 0.00 N ATOM 362 CA ASP A 26 2.529 -6.242 8.919 1.00 0.00 C ATOM 363 C ASP A 26 1.665 -5.418 9.869 1.00 0.00 C ATOM 364 O ASP A 26 0.923 -5.966 10.683 1.00 0.00 O ATOM 365 CB ASP A 26 3.957 -5.688 8.892 1.00 0.00 C ATOM 366 CG ASP A 26 4.990 -6.738 9.252 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.866 -7.884 8.771 1.00 0.00 O ATOM 368 OD2 ASP A 26 5.924 -6.414 10.016 1.00 0.00 O ATOM 0 H ASP A 26 2.257 -5.461 6.993 1.00 0.00 H new ATOM 0 HA ASP A 26 2.552 -7.269 9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.173 -5.295 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.033 -4.853 9.588 1.00 0.00 H new ATOM 373 N TYR A 27 1.767 -4.097 9.757 1.00 0.00 N ATOM 374 CA TYR A 27 0.995 -3.196 10.607 1.00 0.00 C ATOM 375 C TYR A 27 0.637 -1.916 9.857 1.00 0.00 C ATOM 376 O TYR A 27 -0.536 -1.630 9.621 1.00 0.00 O ATOM 377 CB TYR A 27 1.780 -2.859 11.877 1.00 0.00 C ATOM 378 CG TYR A 27 1.290 -3.596 13.104 1.00 0.00 C ATOM 379 CD1 TYR A 27 1.743 -4.876 13.396 1.00 0.00 C ATOM 380 CD2 TYR A 27 0.376 -3.010 13.969 1.00 0.00 C ATOM 381 CE1 TYR A 27 1.298 -5.552 14.516 1.00 0.00 C ATOM 382 CE2 TYR A 27 -0.075 -3.681 15.092 1.00 0.00 C ATOM 383 CZ TYR A 27 0.390 -4.950 15.360 1.00 0.00 C ATOM 384 OH TYR A 27 -0.056 -5.621 16.477 1.00 0.00 O ATOM 0 H TYR A 27 2.376 -3.627 9.087 1.00 0.00 H new ATOM 0 HA TYR A 27 0.071 -3.702 10.886 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.832 -3.095 11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.718 -1.786 12.059 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.455 -5.351 12.737 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.011 -2.015 13.762 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.660 -6.547 14.729 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.788 -3.213 15.755 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.691 -5.057 16.966 1.00 0.00 H new ATOM 394 N ARG A 28 1.657 -1.148 9.487 1.00 0.00 N ATOM 395 CA ARG A 28 1.451 0.102 8.764 1.00 0.00 C ATOM 396 C ARG A 28 2.779 0.681 8.288 1.00 0.00 C ATOM 397 O ARG A 28 3.576 1.174 9.087 1.00 0.00 O ATOM 398 CB ARG A 28 0.728 1.116 9.652 1.00 0.00 C ATOM 399 CG ARG A 28 1.407 1.341 10.994 1.00 0.00 C ATOM 400 CD ARG A 28 2.078 2.704 11.060 1.00 0.00 C ATOM 401 NE ARG A 28 3.042 2.789 12.155 1.00 0.00 N ATOM 402 CZ ARG A 28 3.495 3.936 12.656 1.00 0.00 C ATOM 403 NH1 ARG A 28 3.078 5.095 12.161 1.00 0.00 N ATOM 404 NH2 ARG A 28 4.370 3.923 13.652 1.00 0.00 N ATOM 0 H ARG A 28 2.635 -1.369 9.676 1.00 0.00 H new ATOM 0 HA ARG A 28 0.834 -0.110 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.661 2.067 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.293 0.774 9.823 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.671 1.258 11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.149 0.561 11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.584 2.905 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.319 3.476 11.185 1.00 0.00 H new ATOM 0 HE ARG A 28 3.388 1.919 12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.407 5.110 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.428 5.971 12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.695 3.035 14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.718 4.801 14.037 1.00 0.00 H new ATOM 418 N ALA A 29 3.010 0.618 6.980 1.00 0.00 N ATOM 419 CA ALA A 29 4.242 1.137 6.391 1.00 0.00 C ATOM 420 C ALA A 29 4.332 0.782 4.910 1.00 0.00 C ATOM 421 O ALA A 29 4.864 1.549 4.108 1.00 0.00 O ATOM 422 CB ALA A 29 5.458 0.601 7.134 1.00 0.00 C ATOM 0 H ALA A 29 2.360 0.212 6.307 1.00 0.00 H new ATOM 0 HA ALA A 29 4.225 2.223 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.366 0.999 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.410 0.907 8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.470 -0.487 7.075 1.00 0.00 H new ATOM 428 N GLY A 30 3.810 -0.387 4.557 1.00 0.00 N ATOM 429 CA GLY A 30 3.840 -0.829 3.174 1.00 0.00 C ATOM 430 C GLY A 30 4.602 -2.128 2.995 1.00 0.00 C ATOM 431 O GLY A 30 5.180 -2.375 1.936 1.00 0.00 O ATOM 0 H GLY A 30 3.366 -1.038 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.819 -0.958 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.298 -0.055 2.559 1.00 0.00 H new ATOM 435 N ASP A 31 4.603 -2.962 4.032 1.00 0.00 N ATOM 436 CA ASP A 31 5.299 -4.242 3.984 1.00 0.00 C ATOM 437 C ASP A 31 4.308 -5.400 4.070 1.00 0.00 C ATOM 438 O ASP A 31 3.759 -5.683 5.135 1.00 0.00 O ATOM 439 CB ASP A 31 6.316 -4.334 5.127 1.00 0.00 C ATOM 440 CG ASP A 31 6.997 -5.689 5.198 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.906 -5.941 4.380 1.00 0.00 O ATOM 442 OD2 ASP A 31 6.620 -6.497 6.073 1.00 0.00 O ATOM 0 H ASP A 31 4.129 -2.773 4.915 1.00 0.00 H new ATOM 0 HA ASP A 31 5.827 -4.310 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.071 -3.559 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.812 -4.135 6.073 1.00 0.00 H new ATOM 447 N MET A 32 4.085 -6.068 2.943 1.00 0.00 N ATOM 448 CA MET A 32 3.162 -7.197 2.896 1.00 0.00 C ATOM 449 C MET A 32 3.754 -8.354 2.100 1.00 0.00 C ATOM 450 O MET A 32 4.188 -8.179 0.962 1.00 0.00 O ATOM 451 CB MET A 32 1.826 -6.768 2.283 1.00 0.00 C ATOM 452 CG MET A 32 1.971 -6.037 0.959 1.00 0.00 C ATOM 453 SD MET A 32 0.497 -5.098 0.519 1.00 0.00 S ATOM 454 CE MET A 32 1.229 -3.552 -0.012 1.00 0.00 C ATOM 0 H MET A 32 4.530 -5.848 2.052 1.00 0.00 H new ATOM 0 HA MET A 32 2.991 -7.535 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.204 -7.651 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.302 -6.123 2.989 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.825 -5.361 1.013 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.185 -6.759 0.171 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.448 -2.888 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.735 -3.081 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.950 -3.745 -0.807 1.00 0.00 H new ATOM 464 N ILE A 33 3.775 -9.538 2.709 1.00 0.00 N ATOM 465 CA ILE A 33 4.319 -10.719 2.063 1.00 0.00 C ATOM 466 C ILE A 33 3.229 -11.748 1.780 1.00 0.00 C ATOM 467 O ILE A 33 2.155 -11.701 2.375 1.00 0.00 O ATOM 468 CB ILE A 33 5.408 -11.369 2.934 1.00 0.00 C ATOM 469 CG1 ILE A 33 4.986 -11.385 4.407 1.00 0.00 C ATOM 470 CG2 ILE A 33 6.734 -10.643 2.766 1.00 0.00 C ATOM 471 CD1 ILE A 33 3.732 -12.189 4.668 1.00 0.00 C ATOM 0 H ILE A 33 3.419 -9.700 3.651 1.00 0.00 H new ATOM 0 HA ILE A 33 4.755 -10.394 1.118 1.00 0.00 H new ATOM 0 HB ILE A 33 5.537 -12.400 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.801 -11.793 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.827 -10.360 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.491 -11.118 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.044 -10.689 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.619 -9.601 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.493 -12.156 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.904 -11.768 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.893 -13.223 4.364 1.00 0.00 H new ATOM 483 N CYS A 34 3.509 -12.679 0.871 1.00 0.00 N ATOM 484 CA CYS A 34 2.541 -13.717 0.523 1.00 0.00 C ATOM 485 C CYS A 34 2.833 -15.006 1.288 1.00 0.00 C ATOM 486 O CYS A 34 3.958 -15.507 1.264 1.00 0.00 O ATOM 487 CB CYS A 34 2.570 -13.977 -0.984 1.00 0.00 C ATOM 488 SG CYS A 34 1.611 -15.414 -1.534 1.00 0.00 S ATOM 0 H CYS A 34 4.393 -12.736 0.365 1.00 0.00 H new ATOM 0 HA CYS A 34 1.546 -13.371 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.195 -13.091 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.606 -14.111 -1.294 1.00 0.00 H new ATOM 493 N PRO A 35 1.823 -15.568 1.977 1.00 0.00 N ATOM 494 CA PRO A 35 1.989 -16.804 2.742 1.00 0.00 C ATOM 495 C PRO A 35 2.014 -18.035 1.844 1.00 0.00 C ATOM 496 O PRO A 35 1.197 -18.944 1.991 1.00 0.00 O ATOM 497 CB PRO A 35 0.757 -16.821 3.645 1.00 0.00 C ATOM 498 CG PRO A 35 -0.285 -16.091 2.868 1.00 0.00 C ATOM 499 CD PRO A 35 0.443 -15.046 2.064 1.00 0.00 C ATOM 0 HA PRO A 35 2.933 -16.831 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.443 -17.840 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.957 -16.332 4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.832 -16.772 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.015 -15.631 3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.000 -14.920 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.413 -14.072 2.553 1.00 0.00 H new ATOM 507 N GLU A 36 2.959 -18.055 0.911 1.00 0.00 N ATOM 508 CA GLU A 36 3.097 -19.168 -0.017 1.00 0.00 C ATOM 509 C GLU A 36 4.431 -19.079 -0.758 1.00 0.00 C ATOM 510 O GLU A 36 5.340 -19.869 -0.504 1.00 0.00 O ATOM 511 CB GLU A 36 1.930 -19.177 -1.005 1.00 0.00 C ATOM 512 CG GLU A 36 1.701 -20.526 -1.663 1.00 0.00 C ATOM 513 CD GLU A 36 1.441 -21.631 -0.657 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.052 -21.313 0.486 1.00 0.00 O ATOM 515 OE2 GLU A 36 1.626 -22.814 -1.014 1.00 0.00 O ATOM 0 H GLU A 36 3.643 -17.310 0.778 1.00 0.00 H new ATOM 0 HA GLU A 36 3.080 -20.101 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.021 -18.878 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.114 -18.431 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.854 -20.454 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.573 -20.785 -2.264 1.00 0.00 H new ATOM 522 N CYS A 37 4.555 -18.103 -1.654 1.00 0.00 N ATOM 523 CA CYS A 37 5.798 -17.913 -2.397 1.00 0.00 C ATOM 524 C CYS A 37 6.791 -17.120 -1.558 1.00 0.00 C ATOM 525 O CYS A 37 8.003 -17.216 -1.754 1.00 0.00 O ATOM 526 CB CYS A 37 5.557 -17.174 -3.719 1.00 0.00 C ATOM 527 SG CYS A 37 4.687 -15.604 -3.551 1.00 0.00 S ATOM 0 H CYS A 37 3.817 -17.437 -1.882 1.00 0.00 H new ATOM 0 HA CYS A 37 6.201 -18.901 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.518 -16.992 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.986 -17.822 -4.384 1.00 0.00 H new ATOM 532 N GLY A 38 6.266 -16.325 -0.631 1.00 0.00 N ATOM 533 CA GLY A 38 7.113 -15.514 0.216 1.00 0.00 C ATOM 534 C GLY A 38 7.622 -14.290 -0.512 1.00 0.00 C ATOM 535 O GLY A 38 8.828 -14.047 -0.565 1.00 0.00 O ATOM 0 H GLY A 38 5.266 -16.230 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.555 -15.206 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.958 -16.109 0.563 1.00 0.00 H new ATOM 539 N LEU A 39 6.702 -13.513 -1.078 1.00 0.00 N ATOM 540 CA LEU A 39 7.075 -12.308 -1.806 1.00 0.00 C ATOM 541 C LEU A 39 6.873 -11.078 -0.933 1.00 0.00 C ATOM 542 O LEU A 39 6.287 -11.169 0.143 1.00 0.00 O ATOM 543 CB LEU A 39 6.271 -12.196 -3.109 1.00 0.00 C ATOM 544 CG LEU A 39 4.915 -11.491 -2.998 1.00 0.00 C ATOM 545 CD1 LEU A 39 4.989 -10.099 -3.606 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.827 -12.311 -3.675 1.00 0.00 C ATOM 0 H LEU A 39 5.699 -13.696 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 39 8.132 -12.370 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.877 -11.664 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.106 -13.200 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 39 4.663 -11.395 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.018 -9.612 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.739 -9.510 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.264 -10.176 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.872 -11.793 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.072 -12.440 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.757 -13.288 -3.196 1.00 0.00 H new ATOM 558 N VAL A 40 7.368 -9.933 -1.395 1.00 0.00 N ATOM 559 CA VAL A 40 7.245 -8.693 -0.638 1.00 0.00 C ATOM 560 C VAL A 40 6.782 -7.540 -1.521 1.00 0.00 C ATOM 561 O VAL A 40 7.503 -7.102 -2.419 1.00 0.00 O ATOM 562 CB VAL A 40 8.578 -8.305 0.030 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.380 -7.130 0.976 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.177 -9.495 0.764 1.00 0.00 C ATOM 0 H VAL A 40 7.856 -9.839 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 40 6.496 -8.876 0.133 1.00 0.00 H new ATOM 0 HB VAL A 40 9.277 -8.001 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.332 -6.871 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.002 -6.273 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.663 -7.403 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.118 -9.200 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.483 -9.835 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.360 -10.304 0.057 1.00 0.00 H new ATOM 574 N VAL A 41 5.581 -7.046 -1.249 1.00 0.00 N ATOM 575 CA VAL A 41 5.021 -5.933 -2.006 1.00 0.00 C ATOM 576 C VAL A 41 5.032 -4.656 -1.177 1.00 0.00 C ATOM 577 O VAL A 41 4.669 -4.664 0.001 1.00 0.00 O ATOM 578 CB VAL A 41 3.578 -6.224 -2.460 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.059 -5.106 -3.350 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.506 -7.560 -3.177 1.00 0.00 C ATOM 0 H VAL A 41 4.975 -7.399 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 41 5.647 -5.803 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 41 2.943 -6.275 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.038 -5.331 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.072 -4.166 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.694 -5.018 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.480 -7.750 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.155 -7.539 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.832 -8.353 -2.503 1.00 0.00 H new ATOM 590 N GLY A 42 5.455 -3.562 -1.797 1.00 0.00 N ATOM 591 CA GLY A 42 5.509 -2.289 -1.103 1.00 0.00 C ATOM 592 C GLY A 42 6.894 -1.982 -0.569 1.00 0.00 C ATOM 593 O GLY A 42 7.578 -1.091 -1.073 1.00 0.00 O ATOM 0 H GLY A 42 5.762 -3.533 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.200 -1.494 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.798 -2.298 -0.277 1.00 0.00 H new ATOM 597 N ASP A 43 7.310 -2.724 0.452 1.00 0.00 N ATOM 598 CA ASP A 43 8.623 -2.528 1.054 1.00 0.00 C ATOM 599 C ASP A 43 8.869 -3.539 2.168 1.00 0.00 C ATOM 600 O ASP A 43 7.995 -4.339 2.499 1.00 0.00 O ATOM 601 CB ASP A 43 8.750 -1.106 1.602 1.00 0.00 C ATOM 602 CG ASP A 43 7.636 -0.760 2.572 1.00 0.00 C ATOM 603 OD1 ASP A 43 7.798 -1.026 3.781 1.00 0.00 O ATOM 604 OD2 ASP A 43 6.601 -0.225 2.121 1.00 0.00 O ATOM 0 H ASP A 43 6.757 -3.466 0.880 1.00 0.00 H new ATOM 0 HA ASP A 43 9.375 -2.679 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.712 -0.997 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.740 -0.398 0.774 1.00 0.00 H new ATOM 609 N ARG A 44 10.068 -3.498 2.742 1.00 0.00 N ATOM 610 CA ARG A 44 10.431 -4.411 3.819 1.00 0.00 C ATOM 611 C ARG A 44 11.648 -3.897 4.581 1.00 0.00 C ATOM 612 O ARG A 44 12.144 -2.803 4.312 1.00 0.00 O ATOM 613 CB ARG A 44 10.717 -5.805 3.259 1.00 0.00 C ATOM 614 CG ARG A 44 11.887 -5.843 2.289 1.00 0.00 C ATOM 615 CD ARG A 44 11.643 -6.828 1.158 1.00 0.00 C ATOM 616 NE ARG A 44 12.843 -7.591 0.827 1.00 0.00 N ATOM 617 CZ ARG A 44 13.013 -8.246 -0.320 1.00 0.00 C ATOM 618 NH1 ARG A 44 12.063 -8.232 -1.247 1.00 0.00 N ATOM 619 NH2 ARG A 44 14.136 -8.916 -0.540 1.00 0.00 N ATOM 0 H ARG A 44 10.804 -2.842 2.479 1.00 0.00 H new ATOM 0 HA ARG A 44 9.590 -4.470 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.920 -6.485 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.825 -6.174 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.051 -4.848 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.795 -6.120 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.844 -7.514 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.302 -6.288 0.275 1.00 0.00 H new ATOM 0 HE ARG A 44 13.595 -7.624 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.198 -7.718 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.198 -8.735 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.869 -8.930 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.267 -9.418 -1.418 1.00 0.00 H new ATOM 633 N VAL A 45 12.125 -4.694 5.533 1.00 0.00 N ATOM 634 CA VAL A 45 13.284 -4.318 6.332 1.00 0.00 C ATOM 635 C VAL A 45 14.543 -5.029 5.842 1.00 0.00 C ATOM 636 O VAL A 45 14.719 -6.227 6.063 1.00 0.00 O ATOM 637 CB VAL A 45 13.065 -4.639 7.825 1.00 0.00 C ATOM 638 CG1 VAL A 45 12.853 -6.132 8.032 1.00 0.00 C ATOM 639 CG2 VAL A 45 14.235 -4.136 8.659 1.00 0.00 C ATOM 0 H VAL A 45 11.726 -5.603 5.769 1.00 0.00 H new ATOM 0 HA VAL A 45 13.414 -3.242 6.218 1.00 0.00 H new ATOM 0 HB VAL A 45 12.164 -4.122 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.701 -6.334 9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.976 -6.456 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.730 -6.676 7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.061 -4.372 9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 45 15.154 -4.619 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.329 -3.057 8.541 1.00 0.00 H new ATOM 649 N ILE A 46 15.415 -4.282 5.173 1.00 0.00 N ATOM 650 CA ILE A 46 16.654 -4.835 4.649 1.00 0.00 C ATOM 651 C ILE A 46 17.564 -5.312 5.777 1.00 0.00 C ATOM 652 O ILE A 46 18.356 -4.542 6.317 1.00 0.00 O ATOM 653 CB ILE A 46 17.410 -3.799 3.798 1.00 0.00 C ATOM 654 CG1 ILE A 46 17.445 -2.442 4.505 1.00 0.00 C ATOM 655 CG2 ILE A 46 16.767 -3.671 2.425 1.00 0.00 C ATOM 656 CD1 ILE A 46 18.598 -1.563 4.070 1.00 0.00 C ATOM 0 H ILE A 46 15.284 -3.289 4.982 1.00 0.00 H new ATOM 0 HA ILE A 46 16.384 -5.685 4.022 1.00 0.00 H new ATOM 0 HB ILE A 46 18.436 -4.142 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.508 -1.918 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.508 -2.604 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.313 -2.935 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.796 -4.636 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 15.731 -3.351 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.560 -0.618 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.541 -2.067 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 46 18.525 -1.371 3.000 1.00 0.00 H new ATOM 668 N ASP A 47 17.443 -6.589 6.127 1.00 0.00 N ATOM 669 CA ASP A 47 18.254 -7.170 7.190 1.00 0.00 C ATOM 670 C ASP A 47 19.157 -8.271 6.645 1.00 0.00 C ATOM 671 O ASP A 47 19.458 -9.242 7.340 1.00 0.00 O ATOM 672 CB ASP A 47 17.357 -7.732 8.295 1.00 0.00 C ATOM 673 CG ASP A 47 17.952 -7.539 9.676 1.00 0.00 C ATOM 674 OD1 ASP A 47 19.071 -8.036 9.916 1.00 0.00 O ATOM 675 OD2 ASP A 47 17.297 -6.888 10.519 1.00 0.00 O ATOM 0 H ASP A 47 16.791 -7.240 5.690 1.00 0.00 H new ATOM 0 HA ASP A 47 18.882 -6.382 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.383 -7.246 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.191 -8.795 8.119 1.00 0.00 H new ATOM 680 N VAL A 48 19.588 -8.114 5.398 1.00 0.00 N ATOM 681 CA VAL A 48 20.457 -9.096 4.760 1.00 0.00 C ATOM 682 C VAL A 48 21.897 -8.597 4.701 1.00 0.00 C ATOM 683 O VAL A 48 22.152 -7.395 4.780 1.00 0.00 O ATOM 684 CB VAL A 48 19.980 -9.426 3.333 1.00 0.00 C ATOM 685 CG1 VAL A 48 20.803 -10.562 2.743 1.00 0.00 C ATOM 686 CG2 VAL A 48 18.498 -9.774 3.329 1.00 0.00 C ATOM 0 H VAL A 48 19.350 -7.316 4.809 1.00 0.00 H new ATOM 0 HA VAL A 48 20.413 -10.000 5.367 1.00 0.00 H new ATOM 0 HB VAL A 48 20.123 -8.543 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.451 -10.781 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.852 -10.270 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.696 -11.450 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.181 -10.004 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.326 -10.641 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.924 -8.927 3.705 1.00 0.00 H new ATOM 696 N GLY A 49 22.834 -9.529 4.562 1.00 0.00 N ATOM 697 CA GLY A 49 24.238 -9.164 4.495 1.00 0.00 C ATOM 698 C GLY A 49 24.922 -9.713 3.258 1.00 0.00 C ATOM 699 O GLY A 49 25.722 -9.024 2.626 1.00 0.00 O ATOM 0 H GLY A 49 22.647 -10.529 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.329 -8.078 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.749 -9.534 5.384 1.00 0.00 H new ATOM 703 N SER A 50 24.607 -10.958 2.914 1.00 0.00 N ATOM 704 CA SER A 50 25.197 -11.599 1.746 1.00 0.00 C ATOM 705 C SER A 50 24.838 -10.844 0.470 1.00 0.00 C ATOM 706 O SER A 50 24.080 -9.874 0.504 1.00 0.00 O ATOM 707 CB SER A 50 24.727 -13.050 1.642 1.00 0.00 C ATOM 708 OG SER A 50 23.343 -13.119 1.343 1.00 0.00 O ATOM 0 H SER A 50 23.947 -11.542 3.428 1.00 0.00 H new ATOM 0 HA SER A 50 26.281 -11.583 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 50 25.295 -13.565 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 24.926 -13.568 2.580 1.00 0.00 H new ATOM 0 HG SER A 50 23.160 -13.931 0.827 1.00 0.00 H new ATOM 714 N GLU A 51 25.387 -11.294 -0.653 1.00 0.00 N ATOM 715 CA GLU A 51 25.124 -10.661 -1.940 1.00 0.00 C ATOM 716 C GLU A 51 24.733 -11.697 -2.986 1.00 0.00 C ATOM 717 O GLU A 51 23.577 -11.774 -3.400 1.00 0.00 O ATOM 718 CB GLU A 51 26.353 -9.881 -2.409 1.00 0.00 C ATOM 719 CG GLU A 51 26.153 -9.167 -3.735 1.00 0.00 C ATOM 720 CD GLU A 51 25.537 -7.791 -3.570 1.00 0.00 C ATOM 721 OE1 GLU A 51 24.711 -7.617 -2.650 1.00 0.00 O ATOM 722 OE2 GLU A 51 25.881 -6.887 -4.362 1.00 0.00 O ATOM 0 H GLU A 51 26.017 -12.095 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 51 24.291 -9.969 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.619 -9.148 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.195 -10.567 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.114 -9.072 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.513 -9.773 -4.377 1.00 0.00 H new ATOM 729 N TRP A 52 25.707 -12.493 -3.407 1.00 0.00 N ATOM 730 CA TRP A 52 25.474 -13.529 -4.405 1.00 0.00 C ATOM 731 C TRP A 52 25.673 -14.918 -3.804 1.00 0.00 C ATOM 732 O TRP A 52 26.071 -15.854 -4.498 1.00 0.00 O ATOM 733 CB TRP A 52 26.410 -13.334 -5.601 1.00 0.00 C ATOM 734 CG TRP A 52 25.698 -12.911 -6.849 1.00 0.00 C ATOM 735 CD1 TRP A 52 26.015 -11.856 -7.657 1.00 0.00 C ATOM 736 CD2 TRP A 52 24.548 -13.533 -7.435 1.00 0.00 C ATOM 737 NE1 TRP A 52 25.133 -11.784 -8.707 1.00 0.00 N ATOM 738 CE2 TRP A 52 24.223 -12.803 -8.593 1.00 0.00 C ATOM 739 CE3 TRP A 52 23.763 -14.637 -7.091 1.00 0.00 C ATOM 740 CZ2 TRP A 52 23.146 -13.141 -9.409 1.00 0.00 C ATOM 741 CZ3 TRP A 52 22.694 -14.973 -7.901 1.00 0.00 C ATOM 742 CH2 TRP A 52 22.395 -14.227 -9.049 1.00 0.00 C ATOM 0 H TRP A 52 26.669 -12.441 -3.072 1.00 0.00 H new ATOM 0 HA TRP A 52 24.442 -13.447 -4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 52 27.160 -12.585 -5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 52 26.942 -14.266 -5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 52 26.839 -11.177 -7.494 1.00 0.00 H new ATOM 0 HE1 TRP A 52 25.152 -11.086 -9.451 1.00 0.00 H new ATOM 0 HE3 TRP A 52 23.987 -15.217 -6.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 22.912 -12.567 -10.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 22.080 -15.824 -7.645 1.00 0.00 H new ATOM 0 HH2 TRP A 52 21.554 -14.515 -9.663 1.00 0.00 H new ATOM 753 N ARG A 53 25.394 -15.044 -2.511 1.00 0.00 N ATOM 754 CA ARG A 53 25.543 -16.318 -1.817 1.00 0.00 C ATOM 755 C ARG A 53 24.490 -16.469 -0.725 1.00 0.00 C ATOM 756 O ARG A 53 24.278 -15.558 0.076 1.00 0.00 O ATOM 757 CB ARG A 53 26.943 -16.434 -1.212 1.00 0.00 C ATOM 758 CG ARG A 53 27.312 -15.268 -0.309 1.00 0.00 C ATOM 759 CD ARG A 53 28.818 -15.078 -0.234 1.00 0.00 C ATOM 760 NE ARG A 53 29.188 -13.666 -0.145 1.00 0.00 N ATOM 761 CZ ARG A 53 29.220 -12.841 -1.189 1.00 0.00 C ATOM 762 NH1 ARG A 53 28.904 -13.281 -2.401 1.00 0.00 N ATOM 763 NH2 ARG A 53 29.567 -11.572 -1.020 1.00 0.00 N ATOM 0 H ARG A 53 25.063 -14.279 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 53 25.403 -17.117 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 53 27.008 -17.360 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 53 27.674 -16.505 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 53 26.847 -14.356 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 53 26.916 -15.441 0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 53 29.208 -15.610 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 53 29.284 -15.520 -1.115 1.00 0.00 H new ATOM 0 HE ARG A 53 29.436 -13.291 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 53 28.635 -14.256 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 53 28.930 -12.644 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 53 29.809 -11.229 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 53 29.592 -10.939 -1.820 1.00 0.00 H new ATOM 777 N THR A 54 23.833 -17.624 -0.697 1.00 0.00 N ATOM 778 CA THR A 54 22.803 -17.893 0.299 1.00 0.00 C ATOM 779 C THR A 54 23.300 -18.889 1.341 1.00 0.00 C ATOM 780 O THR A 54 23.946 -19.882 1.008 1.00 0.00 O ATOM 781 CB THR A 54 21.541 -18.432 -0.376 1.00 0.00 C ATOM 782 OG1 THR A 54 20.554 -18.749 0.587 1.00 0.00 O ATOM 783 CG2 THR A 54 21.791 -19.675 -1.203 1.00 0.00 C ATOM 0 H THR A 54 23.996 -18.388 -1.353 1.00 0.00 H new ATOM 0 HA THR A 54 22.566 -16.956 0.803 1.00 0.00 H new ATOM 0 HB THR A 54 21.204 -17.635 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 19.754 -19.090 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.856 -20.006 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.513 -19.451 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.184 -20.465 -0.563 1.00 0.00 H new ATOM 791 N PHE A 55 22.995 -18.615 2.606 1.00 0.00 N ATOM 792 CA PHE A 55 23.411 -19.488 3.699 1.00 0.00 C ATOM 793 C PHE A 55 22.550 -20.746 3.749 1.00 0.00 C ATOM 794 O PHE A 55 21.431 -20.765 3.237 1.00 0.00 O ATOM 795 CB PHE A 55 23.326 -18.745 5.033 1.00 0.00 C ATOM 796 CG PHE A 55 24.235 -17.552 5.114 1.00 0.00 C ATOM 797 CD1 PHE A 55 25.611 -17.710 5.096 1.00 0.00 C ATOM 798 CD2 PHE A 55 23.712 -16.272 5.210 1.00 0.00 C ATOM 799 CE1 PHE A 55 26.450 -16.614 5.170 1.00 0.00 C ATOM 800 CE2 PHE A 55 24.546 -15.172 5.285 1.00 0.00 C ATOM 801 CZ PHE A 55 25.917 -15.343 5.265 1.00 0.00 C ATOM 0 H PHE A 55 22.462 -17.796 2.899 1.00 0.00 H new ATOM 0 HA PHE A 55 24.445 -19.784 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 55 22.298 -18.420 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 55 23.572 -19.435 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 55 26.033 -18.701 5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.641 -16.132 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 55 27.521 -16.751 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.126 -14.180 5.359 1.00 0.00 H new ATOM 0 HZ PHE A 55 26.570 -14.485 5.323 1.00 0.00 H new ATOM 811 N SER A 56 23.080 -21.796 4.370 1.00 0.00 N ATOM 812 CA SER A 56 22.360 -23.058 4.488 1.00 0.00 C ATOM 813 C SER A 56 22.039 -23.631 3.110 1.00 0.00 C ATOM 814 O SER A 56 22.299 -22.997 2.087 1.00 0.00 O ATOM 815 CB SER A 56 21.069 -22.861 5.284 1.00 0.00 C ATOM 816 OG SER A 56 20.573 -24.098 5.765 1.00 0.00 O ATOM 0 H SER A 56 24.005 -21.797 4.799 1.00 0.00 H new ATOM 0 HA SER A 56 23.000 -23.765 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.254 -22.189 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.318 -22.385 4.653 1.00 0.00 H new ATOM 0 HG SER A 56 19.748 -23.945 6.272 1.00 0.00 H new ATOM 822 N ASN A 57 21.473 -24.833 3.093 1.00 0.00 N ATOM 823 CA ASN A 57 21.116 -25.492 1.843 1.00 0.00 C ATOM 824 C ASN A 57 19.648 -25.908 1.847 1.00 0.00 C ATOM 825 O ASN A 57 19.036 -26.050 2.906 1.00 0.00 O ATOM 826 CB ASN A 57 22.004 -26.717 1.615 1.00 0.00 C ATOM 827 CG ASN A 57 23.329 -26.358 0.971 1.00 0.00 C ATOM 828 OD1 ASN A 57 24.383 -26.451 1.599 1.00 0.00 O ATOM 829 ND2 ASN A 57 23.281 -25.945 -0.290 1.00 0.00 N ATOM 0 H ASN A 57 21.252 -25.370 3.931 1.00 0.00 H new ATOM 0 HA ASN A 57 21.272 -24.782 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.189 -27.211 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 57 21.477 -27.432 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.141 -25.690 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.385 -25.883 -0.773 1.00 0.00 H new ATOM 836 N ASP A 58 19.090 -26.104 0.656 1.00 0.00 N ATOM 837 CA ASP A 58 17.694 -26.504 0.524 1.00 0.00 C ATOM 838 C ASP A 58 16.768 -25.460 1.138 1.00 0.00 C ATOM 839 O ASP A 58 17.223 -24.522 1.793 1.00 0.00 O ATOM 840 CB ASP A 58 17.465 -27.862 1.190 1.00 0.00 C ATOM 841 CG ASP A 58 16.496 -28.732 0.413 1.00 0.00 C ATOM 842 OD1 ASP A 58 15.429 -28.220 0.013 1.00 0.00 O ATOM 843 OD2 ASP A 58 16.803 -29.924 0.206 1.00 0.00 O ATOM 0 H ASP A 58 19.583 -25.992 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 58 17.465 -26.586 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.418 -28.382 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.082 -27.709 2.199 1.00 0.00 H new ATOM 848 N LYS A 59 15.468 -25.628 0.921 1.00 0.00 N ATOM 849 CA LYS A 59 14.479 -24.699 1.454 1.00 0.00 C ATOM 850 C LYS A 59 13.844 -25.251 2.727 1.00 0.00 C ATOM 851 O LYS A 59 12.796 -24.777 3.167 1.00 0.00 O ATOM 852 CB LYS A 59 13.397 -24.417 0.409 1.00 0.00 C ATOM 853 CG LYS A 59 13.130 -22.935 0.196 1.00 0.00 C ATOM 854 CD LYS A 59 11.645 -22.651 0.038 1.00 0.00 C ATOM 855 CE LYS A 59 11.383 -21.647 -1.074 1.00 0.00 C ATOM 856 NZ LYS A 59 11.888 -20.290 -0.727 1.00 0.00 N ATOM 857 OXT LYS A 59 14.473 -26.333 3.417 1.00 0.00 O ATOM 0 H LYS A 59 15.075 -26.398 0.380 1.00 0.00 H new ATOM 0 HA LYS A 59 14.988 -23.767 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.694 -24.864 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.471 -24.904 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.521 -22.369 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.663 -22.592 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.117 -23.580 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.245 -22.268 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.861 -21.989 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.312 -21.596 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.690 -19.635 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.413 -19.953 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.914 -20.333 -0.563 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.417 -15.986 -3.607 1.00 0.00 ZN