USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 Set 1.1: A 43 THR OG1 : rot 74:sc= 1.25 USER MOD Set 1.2: A 46 THR OG1 : rot -166:sc= 1.01 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.471 K(o=0.088,f=-0.83) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.559 K(o=0.088,f=-0.83) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00648) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.0126 (180deg=-0.158) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.000681 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 13 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.15) USER MOD Single : A 18 MET CE :methyl -155:sc= -0.251 (180deg=-1.06) USER MOD Single : A 22 SER OG : rot 83:sc= 1.05 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.38 USER MOD Single : A 32 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 34 CYS SG : rot -24:sc= 0.0981 USER MOD Single : A 35 SER OG : rot 78:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.116) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0955 USER MOD Single : A 53 GLN : amide:sc= 0.138 K(o=0.14,f=-4.5!) USER MOD Single : A 54 HIS : no HE2:sc= 0.79 K(o=0.79,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot 19:sc= 0.242 USER MOD Single : A 66 THR OG1 : rot 49:sc= 0.297 USER MOD Single : A 67 THR OG1 : rot 32:sc= 0.213 USER MOD Single : A 71 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.091) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 169:sc=-0.00807 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.160 -18.271 26.202 1.00 0.00 N ATOM 2 CA MET A 1 -0.128 -17.393 25.600 1.00 0.00 C ATOM 3 C MET A 1 0.998 -18.212 24.986 1.00 0.00 C ATOM 4 O MET A 1 1.718 -18.920 25.691 1.00 0.00 O ATOM 5 CB MET A 1 0.453 -16.437 26.645 1.00 0.00 C ATOM 6 CG MET A 1 -0.530 -15.388 27.132 1.00 0.00 C ATOM 7 SD MET A 1 0.221 -14.213 28.274 1.00 0.00 S ATOM 8 CE MET A 1 -1.199 -13.195 28.673 1.00 0.00 C ATOM 0 H1 MET A 1 -1.940 -17.689 26.568 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.525 -18.924 25.479 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.740 -18.817 26.981 1.00 0.00 H new ATOM 0 HA MET A 1 -0.613 -16.813 24.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.803 -17.017 27.499 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.323 -15.936 26.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.935 -14.849 26.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.369 -15.881 27.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.902 -12.415 29.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.586 -12.737 27.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.974 -13.813 29.126 1.00 0.00 H new ATOM 20 N THR A 2 1.127 -18.125 23.670 1.00 0.00 N ATOM 21 CA THR A 2 2.230 -18.746 22.957 1.00 0.00 C ATOM 22 C THR A 2 2.287 -18.214 21.527 1.00 0.00 C ATOM 23 O THR A 2 1.264 -18.126 20.842 1.00 0.00 O ATOM 24 CB THR A 2 2.125 -20.291 22.952 1.00 0.00 C ATOM 25 OG1 THR A 2 3.219 -20.857 22.215 1.00 0.00 O ATOM 26 CG2 THR A 2 0.806 -20.760 22.351 1.00 0.00 C ATOM 0 H THR A 2 0.472 -17.624 23.070 1.00 0.00 H new ATOM 0 HA THR A 2 3.150 -18.487 23.480 1.00 0.00 H new ATOM 0 HB THR A 2 2.166 -20.629 23.987 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.145 -21.834 22.219 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.767 -21.849 22.364 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.023 -20.360 22.936 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.728 -20.406 21.323 1.00 0.00 H new ATOM 34 N LYS A 3 3.477 -17.835 21.089 1.00 0.00 N ATOM 35 CA LYS A 3 3.663 -17.279 19.759 1.00 0.00 C ATOM 36 C LYS A 3 5.062 -17.587 19.235 1.00 0.00 C ATOM 37 O LYS A 3 6.063 -17.115 19.773 1.00 0.00 O ATOM 38 CB LYS A 3 3.405 -15.766 19.767 1.00 0.00 C ATOM 39 CG LYS A 3 4.179 -15.010 20.835 1.00 0.00 C ATOM 40 CD LYS A 3 3.896 -13.518 20.782 1.00 0.00 C ATOM 41 CE LYS A 3 4.652 -12.771 21.870 1.00 0.00 C ATOM 42 NZ LYS A 3 6.126 -12.885 21.712 1.00 0.00 N ATOM 0 H LYS A 3 4.333 -17.903 21.639 1.00 0.00 H new ATOM 0 HA LYS A 3 2.941 -17.745 19.089 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.664 -15.359 18.789 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.339 -15.591 19.913 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.914 -15.396 21.819 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.247 -15.183 20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.180 -13.127 19.805 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.826 -13.345 20.896 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.367 -11.719 21.851 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.362 -13.162 22.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.597 -12.217 22.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.426 -13.854 21.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.388 -12.664 20.730 1.00 0.00 H new ATOM 56 N ASN A 4 5.118 -18.406 18.200 1.00 0.00 N ATOM 57 CA ASN A 4 6.381 -18.726 17.548 1.00 0.00 C ATOM 58 C ASN A 4 6.789 -17.592 16.620 1.00 0.00 C ATOM 59 O ASN A 4 6.080 -17.280 15.665 1.00 0.00 O ATOM 60 CB ASN A 4 6.272 -20.032 16.757 1.00 0.00 C ATOM 61 CG ASN A 4 6.109 -21.248 17.650 1.00 0.00 C ATOM 62 OD1 ASN A 4 7.089 -21.858 18.073 1.00 0.00 O ATOM 63 ND2 ASN A 4 4.870 -21.611 17.945 1.00 0.00 N ATOM 0 H ASN A 4 4.304 -18.864 17.790 1.00 0.00 H new ATOM 0 HA ASN A 4 7.141 -18.853 18.319 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.422 -19.970 16.077 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.164 -20.155 16.143 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.704 -22.421 18.542 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.081 -21.080 17.575 1.00 0.00 H new ATOM 70 N THR A 5 7.924 -16.975 16.906 1.00 0.00 N ATOM 71 CA THR A 5 8.386 -15.841 16.125 1.00 0.00 C ATOM 72 C THR A 5 9.673 -16.183 15.376 1.00 0.00 C ATOM 73 O THR A 5 10.403 -17.102 15.755 1.00 0.00 O ATOM 74 CB THR A 5 8.608 -14.598 17.023 1.00 0.00 C ATOM 75 OG1 THR A 5 8.934 -13.451 16.224 1.00 0.00 O ATOM 76 CG2 THR A 5 9.718 -14.845 18.033 1.00 0.00 C ATOM 0 H THR A 5 8.542 -17.241 17.673 1.00 0.00 H new ATOM 0 HA THR A 5 7.610 -15.606 15.396 1.00 0.00 H new ATOM 0 HB THR A 5 7.679 -14.409 17.562 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.069 -12.674 16.806 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.853 -13.957 18.650 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.451 -15.690 18.667 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.647 -15.065 17.506 1.00 0.00 H new ATOM 84 N ARG A 6 9.929 -15.451 14.303 1.00 0.00 N ATOM 85 CA ARG A 6 11.136 -15.629 13.513 1.00 0.00 C ATOM 86 C ARG A 6 11.977 -14.359 13.586 1.00 0.00 C ATOM 87 O ARG A 6 12.948 -14.289 14.340 1.00 0.00 O ATOM 88 CB ARG A 6 10.773 -15.958 12.058 1.00 0.00 C ATOM 89 CG ARG A 6 11.972 -16.146 11.140 1.00 0.00 C ATOM 90 CD ARG A 6 11.558 -16.172 9.675 1.00 0.00 C ATOM 91 NE ARG A 6 10.943 -14.911 9.256 1.00 0.00 N ATOM 92 CZ ARG A 6 10.925 -14.464 7.996 1.00 0.00 C ATOM 93 NH1 ARG A 6 11.455 -15.183 7.016 1.00 0.00 N ATOM 94 NH2 ARG A 6 10.366 -13.296 7.715 1.00 0.00 N ATOM 0 H ARG A 6 9.308 -14.720 13.957 1.00 0.00 H new ATOM 0 HA ARG A 6 11.715 -16.461 13.913 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.172 -16.867 12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.149 -15.157 11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.686 -15.338 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.481 -17.076 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.432 -16.373 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.856 -16.990 9.511 1.00 0.00 H new ATOM 0 HE ARG A 6 10.499 -14.336 9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.882 -16.087 7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.436 -14.832 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.949 -12.738 8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.352 -12.955 6.754 1.00 0.00 H new ATOM 108 N PHE A 7 11.576 -13.350 12.819 1.00 0.00 N ATOM 109 CA PHE A 7 12.223 -12.046 12.841 1.00 0.00 C ATOM 110 C PHE A 7 11.184 -10.960 12.607 1.00 0.00 C ATOM 111 O PHE A 7 10.819 -10.674 11.464 1.00 0.00 O ATOM 112 CB PHE A 7 13.326 -11.949 11.775 1.00 0.00 C ATOM 113 CG PHE A 7 14.554 -12.769 12.075 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.508 -12.306 12.966 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.754 -13.996 11.463 1.00 0.00 C ATOM 116 CE1 PHE A 7 16.639 -13.051 13.242 1.00 0.00 C ATOM 117 CE2 PHE A 7 15.882 -14.746 11.736 1.00 0.00 C ATOM 118 CZ PHE A 7 16.826 -14.273 12.626 1.00 0.00 C ATOM 0 H PHE A 7 10.795 -13.415 12.166 1.00 0.00 H new ATOM 0 HA PHE A 7 12.687 -11.912 13.818 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.917 -12.267 10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.619 -10.905 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.366 -11.351 13.451 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.020 -14.370 10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.376 -12.678 13.938 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.025 -15.702 11.254 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.709 -14.857 12.840 1.00 0.00 H new ATOM 128 N SER A 8 10.686 -10.382 13.687 1.00 0.00 N ATOM 129 CA SER A 8 9.673 -9.346 13.599 1.00 0.00 C ATOM 130 C SER A 8 10.238 -8.095 12.924 1.00 0.00 C ATOM 131 O SER A 8 11.367 -7.683 13.203 1.00 0.00 O ATOM 132 CB SER A 8 9.139 -9.031 15.000 1.00 0.00 C ATOM 133 OG SER A 8 10.166 -9.153 15.974 1.00 0.00 O ATOM 0 H SER A 8 10.969 -10.615 14.639 1.00 0.00 H new ATOM 0 HA SER A 8 8.846 -9.702 12.985 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.732 -8.020 15.020 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.320 -9.709 15.242 1.00 0.00 H new ATOM 0 HG SER A 8 9.803 -8.946 16.860 1.00 0.00 H new ATOM 139 N PRO A 9 9.457 -7.480 12.014 1.00 0.00 N ATOM 140 CA PRO A 9 9.885 -6.293 11.258 1.00 0.00 C ATOM 141 C PRO A 9 10.289 -5.137 12.168 1.00 0.00 C ATOM 142 O PRO A 9 11.080 -4.273 11.780 1.00 0.00 O ATOM 143 CB PRO A 9 8.647 -5.915 10.432 1.00 0.00 C ATOM 144 CG PRO A 9 7.509 -6.648 11.061 1.00 0.00 C ATOM 145 CD PRO A 9 8.094 -7.897 11.647 1.00 0.00 C ATOM 0 HA PRO A 9 10.767 -6.502 10.652 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.478 -4.838 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.769 -6.202 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.033 -6.042 11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.743 -6.885 10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.529 -8.240 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.102 -8.716 10.928 1.00 0.00 H new ATOM 153 N GLU A 10 9.748 -5.148 13.384 1.00 0.00 N ATOM 154 CA GLU A 10 10.062 -4.145 14.390 1.00 0.00 C ATOM 155 C GLU A 10 11.561 -4.109 14.655 1.00 0.00 C ATOM 156 O GLU A 10 12.159 -3.036 14.737 1.00 0.00 O ATOM 157 CB GLU A 10 9.323 -4.458 15.692 1.00 0.00 C ATOM 158 CG GLU A 10 7.815 -4.554 15.534 1.00 0.00 C ATOM 159 CD GLU A 10 7.114 -4.836 16.849 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.228 -4.002 17.772 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.466 -5.896 16.973 1.00 0.00 O ATOM 0 H GLU A 10 9.081 -5.853 13.696 1.00 0.00 H new ATOM 0 HA GLU A 10 9.743 -3.172 14.017 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.697 -5.399 16.094 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.554 -3.685 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.436 -3.622 15.116 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.576 -5.343 14.821 1.00 0.00 H new ATOM 168 N VAL A 11 12.161 -5.292 14.769 1.00 0.00 N ATOM 169 CA VAL A 11 13.582 -5.410 15.079 1.00 0.00 C ATOM 170 C VAL A 11 14.438 -4.797 13.977 1.00 0.00 C ATOM 171 O VAL A 11 15.396 -4.075 14.255 1.00 0.00 O ATOM 172 CB VAL A 11 13.999 -6.884 15.282 1.00 0.00 C ATOM 173 CG1 VAL A 11 15.472 -6.990 15.658 1.00 0.00 C ATOM 174 CG2 VAL A 11 13.138 -7.545 16.341 1.00 0.00 C ATOM 0 H VAL A 11 11.682 -6.185 14.651 1.00 0.00 H new ATOM 0 HA VAL A 11 13.747 -4.866 16.009 1.00 0.00 H new ATOM 0 HB VAL A 11 13.849 -7.405 14.336 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.738 -8.038 15.795 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.082 -6.561 14.863 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.651 -6.446 16.586 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.449 -8.582 16.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.252 -7.014 17.286 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.093 -7.515 16.032 1.00 0.00 H new ATOM 184 N ARG A 12 14.076 -5.070 12.727 1.00 0.00 N ATOM 185 CA ARG A 12 14.834 -4.566 11.584 1.00 0.00 C ATOM 186 C ARG A 12 14.906 -3.044 11.613 1.00 0.00 C ATOM 187 O ARG A 12 15.991 -2.466 11.626 1.00 0.00 O ATOM 188 CB ARG A 12 14.210 -5.024 10.261 1.00 0.00 C ATOM 189 CG ARG A 12 14.161 -6.531 10.083 1.00 0.00 C ATOM 190 CD ARG A 12 13.911 -6.905 8.629 1.00 0.00 C ATOM 191 NE ARG A 12 12.714 -6.266 8.071 1.00 0.00 N ATOM 192 CZ ARG A 12 12.457 -6.179 6.759 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.315 -6.669 5.870 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.345 -5.588 6.336 1.00 0.00 N ATOM 0 H ARG A 12 13.265 -5.636 12.479 1.00 0.00 H new ATOM 0 HA ARG A 12 15.842 -4.973 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.196 -4.629 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.776 -4.590 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.101 -6.970 10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.373 -6.949 10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.779 -6.623 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.809 -7.987 8.550 1.00 0.00 H new ATOM 0 HE ARG A 12 12.038 -5.864 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.176 -7.115 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.112 -6.599 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.686 -5.200 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.151 -5.522 5.337 1.00 0.00 H new ATOM 208 N GLN A 13 13.744 -2.401 11.656 1.00 0.00 N ATOM 209 CA GLN A 13 13.673 -0.946 11.618 1.00 0.00 C ATOM 210 C GLN A 13 14.298 -0.335 12.866 1.00 0.00 C ATOM 211 O GLN A 13 14.950 0.707 12.796 1.00 0.00 O ATOM 212 CB GLN A 13 12.225 -0.484 11.469 1.00 0.00 C ATOM 213 CG GLN A 13 11.588 -0.874 10.145 1.00 0.00 C ATOM 214 CD GLN A 13 12.324 -0.302 8.946 1.00 0.00 C ATOM 215 OE1 GLN A 13 12.044 0.810 8.503 1.00 0.00 O ATOM 216 NE2 GLN A 13 13.261 -1.066 8.405 1.00 0.00 N ATOM 0 H GLN A 13 12.838 -2.866 11.717 1.00 0.00 H new ATOM 0 HA GLN A 13 14.240 -0.604 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.634 -0.904 12.283 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.187 0.600 11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.563 -1.961 10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.554 -0.529 10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.464 -1.983 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.780 -0.737 7.591 1.00 0.00 H new ATOM 225 N ARG A 14 14.106 -0.998 14.004 1.00 0.00 N ATOM 226 CA ARG A 14 14.684 -0.545 15.263 1.00 0.00 C ATOM 227 C ARG A 14 16.205 -0.495 15.161 1.00 0.00 C ATOM 228 O ARG A 14 16.831 0.503 15.529 1.00 0.00 O ATOM 229 CB ARG A 14 14.263 -1.483 16.402 1.00 0.00 C ATOM 230 CG ARG A 14 14.812 -1.109 17.770 1.00 0.00 C ATOM 231 CD ARG A 14 14.332 0.262 18.218 1.00 0.00 C ATOM 232 NE ARG A 14 14.596 0.494 19.637 1.00 0.00 N ATOM 233 CZ ARG A 14 14.695 1.700 20.196 1.00 0.00 C ATOM 234 NH1 ARG A 14 14.715 2.785 19.438 1.00 0.00 N ATOM 235 NH2 ARG A 14 14.829 1.809 21.513 1.00 0.00 N ATOM 0 H ARG A 14 13.553 -1.852 14.078 1.00 0.00 H new ATOM 0 HA ARG A 14 14.316 0.459 15.476 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.174 -1.502 16.455 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.588 -2.495 16.160 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.506 -1.857 18.501 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.902 -1.120 17.739 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.827 1.032 17.626 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.263 0.352 18.028 1.00 0.00 H new ATOM 0 HE ARG A 14 14.712 -0.321 20.239 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.655 2.699 18.423 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.791 3.707 19.869 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.856 0.971 22.094 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.905 2.731 21.943 1.00 0.00 H new ATOM 249 N ALA A 15 16.785 -1.572 14.641 1.00 0.00 N ATOM 250 CA ALA A 15 18.228 -1.671 14.490 1.00 0.00 C ATOM 251 C ALA A 15 18.746 -0.671 13.464 1.00 0.00 C ATOM 252 O ALA A 15 19.685 0.073 13.737 1.00 0.00 O ATOM 253 CB ALA A 15 18.623 -3.084 14.096 1.00 0.00 C ATOM 0 H ALA A 15 16.272 -2.392 14.316 1.00 0.00 H new ATOM 0 HA ALA A 15 18.683 -1.432 15.451 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.706 -3.142 13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.298 -3.781 14.868 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.149 -3.344 13.150 1.00 0.00 H new ATOM 259 N VAL A 16 18.116 -0.646 12.295 1.00 0.00 N ATOM 260 CA VAL A 16 18.535 0.247 11.214 1.00 0.00 C ATOM 261 C VAL A 16 18.504 1.704 11.658 1.00 0.00 C ATOM 262 O VAL A 16 19.467 2.443 11.450 1.00 0.00 O ATOM 263 CB VAL A 16 17.655 0.084 9.954 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.055 1.089 8.882 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.753 -1.330 9.411 1.00 0.00 C ATOM 0 H VAL A 16 17.313 -1.233 12.069 1.00 0.00 H new ATOM 0 HA VAL A 16 19.558 -0.034 10.963 1.00 0.00 H new ATOM 0 HB VAL A 16 16.620 0.276 10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.422 0.956 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.932 2.101 9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.097 0.930 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.126 -1.423 8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.788 -1.548 9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.415 -2.035 10.170 1.00 0.00 H new ATOM 275 N ARG A 17 17.408 2.111 12.287 1.00 0.00 N ATOM 276 CA ARG A 17 17.265 3.487 12.745 1.00 0.00 C ATOM 277 C ARG A 17 18.305 3.808 13.813 1.00 0.00 C ATOM 278 O ARG A 17 18.831 4.919 13.869 1.00 0.00 O ATOM 279 CB ARG A 17 15.851 3.739 13.275 1.00 0.00 C ATOM 280 CG ARG A 17 15.605 5.180 13.689 1.00 0.00 C ATOM 281 CD ARG A 17 14.134 5.443 13.976 1.00 0.00 C ATOM 282 NE ARG A 17 13.627 4.654 15.097 1.00 0.00 N ATOM 283 CZ ARG A 17 13.042 5.178 16.175 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.932 6.494 16.308 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.568 4.377 17.119 1.00 0.00 N ATOM 0 H ARG A 17 16.609 1.511 12.491 1.00 0.00 H new ATOM 0 HA ARG A 17 17.432 4.148 11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.129 3.462 12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.671 3.088 14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.195 5.409 14.577 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.946 5.848 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.994 6.503 14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.548 5.218 13.085 1.00 0.00 H new ATOM 0 HE ARG A 17 13.727 3.640 15.052 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.296 7.112 15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.483 6.887 17.135 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.652 3.365 17.019 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.120 4.772 17.946 1.00 0.00 H new ATOM 299 N MET A 18 18.618 2.818 14.643 1.00 0.00 N ATOM 300 CA MET A 18 19.634 2.983 15.673 1.00 0.00 C ATOM 301 C MET A 18 21.003 3.170 15.027 1.00 0.00 C ATOM 302 O MET A 18 21.806 3.989 15.476 1.00 0.00 O ATOM 303 CB MET A 18 19.645 1.773 16.609 1.00 0.00 C ATOM 304 CG MET A 18 20.595 1.912 17.788 1.00 0.00 C ATOM 305 SD MET A 18 20.519 0.497 18.903 1.00 0.00 S ATOM 306 CE MET A 18 18.788 0.530 19.366 1.00 0.00 C ATOM 0 H MET A 18 18.183 1.896 14.622 1.00 0.00 H new ATOM 0 HA MET A 18 19.399 3.870 16.262 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.636 1.609 16.986 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.919 0.887 16.037 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.614 2.025 17.418 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.353 2.820 18.341 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.662 0.049 20.336 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.447 1.564 19.426 1.00 0.00 H new ATOM 0 HE3 MET A 18 18.201 -0.002 18.618 1.00 0.00 H new ATOM 316 N VAL A 19 21.253 2.413 13.962 1.00 0.00 N ATOM 317 CA VAL A 19 22.481 2.560 13.189 1.00 0.00 C ATOM 318 C VAL A 19 22.558 3.952 12.576 1.00 0.00 C ATOM 319 O VAL A 19 23.579 4.623 12.676 1.00 0.00 O ATOM 320 CB VAL A 19 22.586 1.510 12.059 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.846 1.724 11.231 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.559 0.101 12.624 1.00 0.00 C ATOM 0 H VAL A 19 20.621 1.692 13.615 1.00 0.00 H new ATOM 0 HA VAL A 19 23.310 2.406 13.880 1.00 0.00 H new ATOM 0 HB VAL A 19 21.722 1.636 11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.896 0.972 10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.823 2.718 10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.723 1.635 11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.634 -0.619 11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.399 -0.034 13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.625 -0.057 13.163 1.00 0.00 H new ATOM 332 N LEU A 20 21.463 4.391 11.964 1.00 0.00 N ATOM 333 CA LEU A 20 21.418 5.694 11.304 1.00 0.00 C ATOM 334 C LEU A 20 21.710 6.827 12.289 1.00 0.00 C ATOM 335 O LEU A 20 22.550 7.688 12.021 1.00 0.00 O ATOM 336 CB LEU A 20 20.055 5.908 10.643 1.00 0.00 C ATOM 337 CG LEU A 20 19.718 4.924 9.518 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.337 5.212 8.951 1.00 0.00 C ATOM 339 CD2 LEU A 20 20.769 4.989 8.419 1.00 0.00 C ATOM 0 H LEU A 20 20.592 3.863 11.911 1.00 0.00 H new ATOM 0 HA LEU A 20 22.192 5.707 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.282 5.839 11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.018 6.921 10.242 1.00 0.00 H new ATOM 0 HG LEU A 20 19.716 3.916 9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.116 4.503 8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.592 5.114 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.312 6.226 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.513 4.283 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.803 5.998 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.744 4.732 8.833 1.00 0.00 H new ATOM 351 N GLU A 21 21.028 6.813 13.428 1.00 0.00 N ATOM 352 CA GLU A 21 21.228 7.835 14.452 1.00 0.00 C ATOM 353 C GLU A 21 22.682 7.864 14.921 1.00 0.00 C ATOM 354 O GLU A 21 23.256 8.932 15.135 1.00 0.00 O ATOM 355 CB GLU A 21 20.305 7.592 15.646 1.00 0.00 C ATOM 356 CG GLU A 21 18.829 7.754 15.319 1.00 0.00 C ATOM 357 CD GLU A 21 18.481 9.162 14.882 1.00 0.00 C ATOM 358 OE1 GLU A 21 18.144 9.992 15.754 1.00 0.00 O ATOM 359 OE2 GLU A 21 18.539 9.448 13.669 1.00 0.00 O ATOM 0 H GLU A 21 20.332 6.107 13.667 1.00 0.00 H new ATOM 0 HA GLU A 21 20.986 8.800 14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.475 6.585 16.027 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.569 8.284 16.445 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.557 7.054 14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.236 7.492 16.195 1.00 0.00 H new ATOM 366 N SER A 22 23.279 6.687 15.056 1.00 0.00 N ATOM 367 CA SER A 22 24.651 6.578 15.529 1.00 0.00 C ATOM 368 C SER A 22 25.648 6.860 14.403 1.00 0.00 C ATOM 369 O SER A 22 26.794 7.227 14.658 1.00 0.00 O ATOM 370 CB SER A 22 24.882 5.191 16.123 1.00 0.00 C ATOM 371 OG SER A 22 23.892 4.895 17.099 1.00 0.00 O ATOM 0 H SER A 22 22.833 5.794 14.844 1.00 0.00 H new ATOM 0 HA SER A 22 24.812 7.327 16.304 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.856 4.442 15.332 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.873 5.143 16.575 1.00 0.00 H new ATOM 0 HG SER A 22 23.085 4.560 16.655 1.00 0.00 H new ATOM 377 N GLN A 23 25.200 6.713 13.161 1.00 0.00 N ATOM 378 CA GLN A 23 26.029 7.036 12.005 1.00 0.00 C ATOM 379 C GLN A 23 26.129 8.549 11.855 1.00 0.00 C ATOM 380 O GLN A 23 27.035 9.067 11.210 1.00 0.00 O ATOM 381 CB GLN A 23 25.447 6.415 10.732 1.00 0.00 C ATOM 382 CG GLN A 23 26.407 6.414 9.549 1.00 0.00 C ATOM 383 CD GLN A 23 25.789 5.853 8.279 1.00 0.00 C ATOM 384 OE1 GLN A 23 26.475 5.239 7.460 1.00 0.00 O ATOM 385 NE2 GLN A 23 24.501 6.087 8.084 1.00 0.00 N ATOM 0 H GLN A 23 24.267 6.372 12.929 1.00 0.00 H new ATOM 0 HA GLN A 23 27.026 6.623 12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.147 5.389 10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.545 6.959 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.744 7.433 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.290 5.828 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 23 23.964 6.599 8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.045 5.755 7.234 1.00 0.00 H new ATOM 394 N GLY A 24 25.174 9.251 12.450 1.00 0.00 N ATOM 395 CA GLY A 24 25.245 10.697 12.513 1.00 0.00 C ATOM 396 C GLY A 24 26.102 11.153 13.678 1.00 0.00 C ATOM 397 O GLY A 24 26.485 12.320 13.766 1.00 0.00 O ATOM 0 H GLY A 24 24.350 8.843 12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.657 11.085 11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.241 11.109 12.613 1.00 0.00 H new ATOM 401 N GLU A 25 26.392 10.218 14.575 1.00 0.00 N ATOM 402 CA GLU A 25 27.261 10.473 15.717 1.00 0.00 C ATOM 403 C GLU A 25 28.712 10.190 15.352 1.00 0.00 C ATOM 404 O GLU A 25 29.576 11.063 15.442 1.00 0.00 O ATOM 405 CB GLU A 25 26.851 9.588 16.901 1.00 0.00 C ATOM 406 CG GLU A 25 25.640 10.095 17.661 1.00 0.00 C ATOM 407 CD GLU A 25 25.944 11.348 18.449 1.00 0.00 C ATOM 408 OE1 GLU A 25 26.658 11.247 19.471 1.00 0.00 O ATOM 409 OE2 GLU A 25 25.488 12.435 18.048 1.00 0.00 O ATOM 0 H GLU A 25 26.032 9.264 14.531 1.00 0.00 H new ATOM 0 HA GLU A 25 27.161 11.521 15.998 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.642 8.583 16.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.692 9.508 17.590 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.831 10.297 16.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.287 9.318 18.339 1.00 0.00 H new ATOM 416 N TYR A 26 28.965 8.962 14.930 1.00 0.00 N ATOM 417 CA TYR A 26 30.307 8.532 14.575 1.00 0.00 C ATOM 418 C TYR A 26 30.479 8.564 13.064 1.00 0.00 C ATOM 419 O TYR A 26 29.588 9.002 12.343 1.00 0.00 O ATOM 420 CB TYR A 26 30.559 7.109 15.086 1.00 0.00 C ATOM 421 CG TYR A 26 30.184 6.896 16.537 1.00 0.00 C ATOM 422 CD1 TYR A 26 30.759 7.658 17.543 1.00 0.00 C ATOM 423 CD2 TYR A 26 29.264 5.919 16.898 1.00 0.00 C ATOM 424 CE1 TYR A 26 30.426 7.460 18.868 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.922 5.716 18.223 1.00 0.00 C ATOM 426 CZ TYR A 26 29.509 6.487 19.204 1.00 0.00 C ATOM 427 OH TYR A 26 29.182 6.287 20.528 1.00 0.00 O ATOM 0 H TYR A 26 28.252 8.240 14.824 1.00 0.00 H new ATOM 0 HA TYR A 26 31.024 9.211 15.037 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.995 6.408 14.470 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.614 6.870 14.956 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.480 8.420 17.285 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.809 5.309 16.132 1.00 0.00 H new ATOM 0 HE1 TYR A 26 30.882 8.065 19.638 1.00 0.00 H new ATOM 0 HE2 TYR A 26 28.199 4.958 18.488 1.00 0.00 H new ATOM 0 HH TYR A 26 28.521 5.566 20.597 1.00 0.00 H new ATOM 437 N ASP A 27 31.627 8.107 12.590 1.00 0.00 N ATOM 438 CA ASP A 27 31.850 7.951 11.157 1.00 0.00 C ATOM 439 C ASP A 27 32.124 6.489 10.844 1.00 0.00 C ATOM 440 O ASP A 27 32.345 6.109 9.695 1.00 0.00 O ATOM 441 CB ASP A 27 33.019 8.821 10.676 1.00 0.00 C ATOM 442 CG ASP A 27 34.356 8.376 11.234 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.703 8.794 12.356 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.073 7.611 10.553 1.00 0.00 O ATOM 0 H ASP A 27 32.419 7.837 13.173 1.00 0.00 H new ATOM 0 HA ASP A 27 30.953 8.278 10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.059 8.796 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.837 9.856 10.965 1.00 0.00 H new ATOM 449 N SER A 28 32.091 5.665 11.881 1.00 0.00 N ATOM 450 CA SER A 28 32.403 4.258 11.737 1.00 0.00 C ATOM 451 C SER A 28 31.168 3.399 11.976 1.00 0.00 C ATOM 452 O SER A 28 30.618 3.375 13.081 1.00 0.00 O ATOM 453 CB SER A 28 33.508 3.862 12.718 1.00 0.00 C ATOM 454 OG SER A 28 33.881 2.505 12.550 1.00 0.00 O ATOM 0 H SER A 28 31.851 5.950 12.830 1.00 0.00 H new ATOM 0 HA SER A 28 32.748 4.089 10.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.377 4.502 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.166 4.024 13.740 1.00 0.00 H new ATOM 0 HG SER A 28 34.590 2.279 13.188 1.00 0.00 H new ATOM 460 N GLN A 29 30.725 2.699 10.938 1.00 0.00 N ATOM 461 CA GLN A 29 29.645 1.734 11.088 1.00 0.00 C ATOM 462 C GLN A 29 30.111 0.556 11.935 1.00 0.00 C ATOM 463 O GLN A 29 29.314 -0.069 12.627 1.00 0.00 O ATOM 464 CB GLN A 29 29.143 1.235 9.729 1.00 0.00 C ATOM 465 CG GLN A 29 28.192 2.195 9.041 1.00 0.00 C ATOM 466 CD GLN A 29 27.675 1.657 7.720 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.570 0.446 7.524 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.327 2.555 6.817 1.00 0.00 N ATOM 0 H GLN A 29 31.094 2.781 9.991 1.00 0.00 H new ATOM 0 HA GLN A 29 28.816 2.236 11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.999 1.057 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 29 28.642 0.277 9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.349 2.400 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 29 28.701 3.144 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.430 3.549 7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.955 2.255 5.916 1.00 0.00 H new ATOM 477 N TRP A 30 31.412 0.279 11.892 1.00 0.00 N ATOM 478 CA TRP A 30 31.993 -0.812 12.663 1.00 0.00 C ATOM 479 C TRP A 30 31.778 -0.584 14.154 1.00 0.00 C ATOM 480 O TRP A 30 31.272 -1.457 14.857 1.00 0.00 O ATOM 481 CB TRP A 30 33.488 -0.950 12.359 1.00 0.00 C ATOM 482 CG TRP A 30 33.780 -1.222 10.915 1.00 0.00 C ATOM 483 CD1 TRP A 30 33.446 -2.343 10.211 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.470 -0.362 9.999 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.876 -2.229 8.913 1.00 0.00 N ATOM 486 CE2 TRP A 30 34.513 -1.024 8.758 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.056 0.904 10.106 1.00 0.00 C ATOM 488 CZ2 TRP A 30 35.117 -0.462 7.633 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.655 1.460 8.992 1.00 0.00 C ATOM 490 CH2 TRP A 30 35.682 0.778 7.769 1.00 0.00 C ATOM 0 H TRP A 30 32.085 0.799 11.328 1.00 0.00 H new ATOM 0 HA TRP A 30 31.494 -1.737 12.376 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.998 -0.034 12.659 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.901 -1.757 12.964 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.920 -3.195 10.616 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.743 -2.927 8.182 1.00 0.00 H new ATOM 0 HE3 TRP A 30 35.040 1.438 11.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 35.138 -0.986 6.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 36.110 2.437 9.066 1.00 0.00 H new ATOM 0 HH2 TRP A 30 36.158 1.239 6.916 1.00 0.00 H new ATOM 501 N ALA A 31 32.146 0.604 14.623 1.00 0.00 N ATOM 502 CA ALA A 31 31.963 0.968 16.025 1.00 0.00 C ATOM 503 C ALA A 31 30.480 1.020 16.380 1.00 0.00 C ATOM 504 O ALA A 31 30.075 0.625 17.476 1.00 0.00 O ATOM 505 CB ALA A 31 32.625 2.308 16.315 1.00 0.00 C ATOM 0 H ALA A 31 32.574 1.333 14.052 1.00 0.00 H new ATOM 0 HA ALA A 31 32.436 0.204 16.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.480 2.566 17.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.692 2.240 16.102 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.178 3.078 15.687 1.00 0.00 H new ATOM 511 N THR A 32 29.677 1.505 15.443 1.00 0.00 N ATOM 512 CA THR A 32 28.235 1.577 15.623 1.00 0.00 C ATOM 513 C THR A 32 27.638 0.182 15.821 1.00 0.00 C ATOM 514 O THR A 32 27.011 -0.098 16.842 1.00 0.00 O ATOM 515 CB THR A 32 27.567 2.256 14.411 1.00 0.00 C ATOM 516 OG1 THR A 32 28.087 3.583 14.245 1.00 0.00 O ATOM 517 CG2 THR A 32 26.056 2.316 14.573 1.00 0.00 C ATOM 0 H THR A 32 30.004 1.857 14.543 1.00 0.00 H new ATOM 0 HA THR A 32 28.043 2.172 16.516 1.00 0.00 H new ATOM 0 HB THR A 32 27.792 1.660 13.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.971 3.538 13.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.616 2.800 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.660 1.305 14.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 25.808 2.886 15.469 1.00 0.00 H new ATOM 525 N ILE A 33 27.869 -0.694 14.850 1.00 0.00 N ATOM 526 CA ILE A 33 27.320 -2.042 14.874 1.00 0.00 C ATOM 527 C ILE A 33 27.846 -2.833 16.073 1.00 0.00 C ATOM 528 O ILE A 33 27.102 -3.586 16.705 1.00 0.00 O ATOM 529 CB ILE A 33 27.645 -2.784 13.559 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.972 -2.072 12.378 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.203 -4.238 13.636 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.392 -2.597 11.021 1.00 0.00 C ATOM 0 H ILE A 33 28.439 -0.490 14.029 1.00 0.00 H new ATOM 0 HA ILE A 33 26.238 -1.959 14.972 1.00 0.00 H new ATOM 0 HB ILE A 33 28.724 -2.771 13.407 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.891 -2.171 12.476 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.201 -1.008 12.431 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.442 -4.741 12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.722 -4.733 14.456 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.128 -4.283 13.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.872 -2.042 10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.468 -2.473 10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.138 -3.654 10.945 1.00 0.00 H new ATOM 544 N CYS A 34 29.115 -2.627 16.406 1.00 0.00 N ATOM 545 CA CYS A 34 29.736 -3.310 17.536 1.00 0.00 C ATOM 546 C CYS A 34 29.062 -2.927 18.852 1.00 0.00 C ATOM 547 O CYS A 34 29.136 -3.664 19.829 1.00 0.00 O ATOM 548 CB CYS A 34 31.231 -2.987 17.599 1.00 0.00 C ATOM 549 SG CYS A 34 32.131 -3.851 18.910 1.00 0.00 S ATOM 0 H CYS A 34 29.737 -1.990 15.908 1.00 0.00 H new ATOM 0 HA CYS A 34 29.609 -4.382 17.388 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.684 -3.236 16.640 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.352 -1.913 17.740 1.00 0.00 H new ATOM 0 HG CYS A 34 31.306 -4.177 19.861 1.00 0.00 H new ATOM 555 N SER A 35 28.403 -1.780 18.873 1.00 0.00 N ATOM 556 CA SER A 35 27.723 -1.320 20.070 1.00 0.00 C ATOM 557 C SER A 35 26.271 -1.805 20.095 1.00 0.00 C ATOM 558 O SER A 35 25.666 -1.938 21.160 1.00 0.00 O ATOM 559 CB SER A 35 27.779 0.204 20.138 1.00 0.00 C ATOM 560 OG SER A 35 29.120 0.664 20.078 1.00 0.00 O ATOM 0 H SER A 35 28.325 -1.151 18.074 1.00 0.00 H new ATOM 0 HA SER A 35 28.229 -1.736 20.941 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.207 0.630 19.314 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.313 0.548 21.061 1.00 0.00 H new ATOM 0 HG SER A 35 29.439 0.624 19.152 1.00 0.00 H new ATOM 566 N ILE A 36 25.725 -2.092 18.922 1.00 0.00 N ATOM 567 CA ILE A 36 24.326 -2.483 18.807 1.00 0.00 C ATOM 568 C ILE A 36 24.163 -3.996 18.934 1.00 0.00 C ATOM 569 O ILE A 36 23.176 -4.476 19.496 1.00 0.00 O ATOM 570 CB ILE A 36 23.724 -2.003 17.470 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.844 -0.481 17.362 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.267 -2.435 17.345 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.371 0.073 16.038 1.00 0.00 C ATOM 0 H ILE A 36 26.229 -2.062 18.036 1.00 0.00 H new ATOM 0 HA ILE A 36 23.788 -2.005 19.626 1.00 0.00 H new ATOM 0 HB ILE A 36 24.281 -2.461 16.653 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.267 -0.022 18.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 24.885 -0.196 17.514 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.864 -2.085 16.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.205 -3.522 17.387 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.689 -2.007 18.164 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.486 1.157 16.035 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.964 -0.357 15.231 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.321 -0.181 15.892 1.00 0.00 H new ATOM 585 N ALA A 37 25.148 -4.737 18.436 1.00 0.00 N ATOM 586 CA ALA A 37 25.111 -6.198 18.465 1.00 0.00 C ATOM 587 C ALA A 37 24.860 -6.751 19.879 1.00 0.00 C ATOM 588 O ALA A 37 23.943 -7.553 20.064 1.00 0.00 O ATOM 589 CB ALA A 37 26.387 -6.779 17.864 1.00 0.00 C ATOM 0 H ALA A 37 25.987 -4.348 18.005 1.00 0.00 H new ATOM 0 HA ALA A 37 24.265 -6.512 17.854 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.341 -7.868 17.895 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.485 -6.449 16.830 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.248 -6.436 18.438 1.00 0.00 H new ATOM 595 N PRO A 38 25.637 -6.331 20.908 1.00 0.00 N ATOM 596 CA PRO A 38 25.446 -6.810 22.283 1.00 0.00 C ATOM 597 C PRO A 38 24.237 -6.170 22.961 1.00 0.00 C ATOM 598 O PRO A 38 23.825 -6.591 24.043 1.00 0.00 O ATOM 599 CB PRO A 38 26.735 -6.395 23.007 1.00 0.00 C ATOM 600 CG PRO A 38 27.650 -5.880 21.946 1.00 0.00 C ATOM 601 CD PRO A 38 26.765 -5.394 20.839 1.00 0.00 C ATOM 0 HA PRO A 38 25.258 -7.883 22.305 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.534 -5.629 23.755 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.180 -7.242 23.530 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.276 -5.073 22.328 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.320 -6.664 21.594 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.448 -4.363 20.995 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.266 -5.431 19.872 1.00 0.00 H new ATOM 609 N LYS A 39 23.678 -5.149 22.325 1.00 0.00 N ATOM 610 CA LYS A 39 22.508 -4.461 22.858 1.00 0.00 C ATOM 611 C LYS A 39 21.243 -5.250 22.537 1.00 0.00 C ATOM 612 O LYS A 39 20.332 -5.351 23.357 1.00 0.00 O ATOM 613 CB LYS A 39 22.408 -3.044 22.280 1.00 0.00 C ATOM 614 CG LYS A 39 21.241 -2.233 22.826 1.00 0.00 C ATOM 615 CD LYS A 39 21.138 -0.873 22.154 1.00 0.00 C ATOM 616 CE LYS A 39 22.352 -0.001 22.443 1.00 0.00 C ATOM 617 NZ LYS A 39 22.463 0.348 23.885 1.00 0.00 N ATOM 0 H LYS A 39 24.016 -4.778 21.437 1.00 0.00 H new ATOM 0 HA LYS A 39 22.613 -4.387 23.940 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.336 -2.512 22.488 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.315 -3.111 21.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.313 -2.784 22.676 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.362 -2.100 23.901 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.036 -1.007 21.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.237 -0.366 22.498 1.00 0.00 H new ATOM 0 HE2 LYS A 39 23.255 -0.523 22.127 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.289 0.914 21.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.197 1.074 24.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.551 0.715 24.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.719 -0.501 24.429 1.00 0.00 H new ATOM 631 N ILE A 40 21.197 -5.806 21.334 1.00 0.00 N ATOM 632 CA ILE A 40 20.078 -6.634 20.920 1.00 0.00 C ATOM 633 C ILE A 40 20.333 -8.087 21.303 1.00 0.00 C ATOM 634 O ILE A 40 19.471 -8.753 21.877 1.00 0.00 O ATOM 635 CB ILE A 40 19.830 -6.539 19.399 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.563 -5.087 18.994 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.660 -7.427 18.993 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.394 -4.888 17.501 1.00 0.00 C ATOM 0 H ILE A 40 21.925 -5.697 20.628 1.00 0.00 H new ATOM 0 HA ILE A 40 19.189 -6.266 21.433 1.00 0.00 H new ATOM 0 HB ILE A 40 20.723 -6.887 18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.664 -4.738 19.501 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.388 -4.465 19.343 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.499 -7.348 17.918 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.882 -8.462 19.251 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.761 -7.107 19.519 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.208 -3.834 17.293 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.301 -5.205 16.987 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.551 -5.482 17.148 1.00 0.00 H new ATOM 650 N GLY A 41 21.537 -8.562 21.013 1.00 0.00 N ATOM 651 CA GLY A 41 21.875 -9.942 21.289 1.00 0.00 C ATOM 652 C GLY A 41 21.935 -10.764 20.020 1.00 0.00 C ATOM 653 O GLY A 41 21.345 -11.843 19.937 1.00 0.00 O ATOM 0 H GLY A 41 22.286 -8.014 20.591 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.838 -9.987 21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.136 -10.370 21.966 1.00 0.00 H new ATOM 657 N CYS A 42 22.645 -10.247 19.028 1.00 0.00 N ATOM 658 CA CYS A 42 22.763 -10.904 17.737 1.00 0.00 C ATOM 659 C CYS A 42 24.156 -10.690 17.164 1.00 0.00 C ATOM 660 O CYS A 42 24.916 -9.859 17.661 1.00 0.00 O ATOM 661 CB CYS A 42 21.702 -10.364 16.777 1.00 0.00 C ATOM 662 SG CYS A 42 21.706 -8.562 16.614 1.00 0.00 S ATOM 0 H CYS A 42 23.153 -9.365 19.096 1.00 0.00 H new ATOM 0 HA CYS A 42 22.604 -11.974 17.868 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.857 -10.808 15.794 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.719 -10.685 17.120 1.00 0.00 H new ATOM 0 HG CYS A 42 20.777 -8.200 15.780 1.00 0.00 H new ATOM 668 N THR A 43 24.488 -11.446 16.130 1.00 0.00 N ATOM 669 CA THR A 43 25.783 -11.334 15.486 1.00 0.00 C ATOM 670 C THR A 43 25.912 -10.014 14.717 1.00 0.00 C ATOM 671 O THR A 43 24.968 -9.578 14.058 1.00 0.00 O ATOM 672 CB THR A 43 26.019 -12.529 14.545 1.00 0.00 C ATOM 673 OG1 THR A 43 24.784 -12.915 13.925 1.00 0.00 O ATOM 674 CG2 THR A 43 26.602 -13.713 15.302 1.00 0.00 C ATOM 0 H THR A 43 23.873 -12.148 15.718 1.00 0.00 H new ATOM 0 HA THR A 43 26.546 -11.343 16.265 1.00 0.00 H new ATOM 0 HB THR A 43 26.732 -12.223 13.780 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.541 -12.256 13.242 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.759 -14.543 14.614 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.554 -13.426 15.748 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.911 -14.019 16.088 1.00 0.00 H new ATOM 682 N PRO A 44 27.087 -9.365 14.808 1.00 0.00 N ATOM 683 CA PRO A 44 27.339 -8.050 14.195 1.00 0.00 C ATOM 684 C PRO A 44 26.983 -7.979 12.709 1.00 0.00 C ATOM 685 O PRO A 44 26.375 -7.005 12.261 1.00 0.00 O ATOM 686 CB PRO A 44 28.844 -7.852 14.384 1.00 0.00 C ATOM 687 CG PRO A 44 29.185 -8.670 15.579 1.00 0.00 C ATOM 688 CD PRO A 44 28.269 -9.862 15.539 1.00 0.00 C ATOM 0 HA PRO A 44 26.718 -7.282 14.657 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.400 -8.182 13.506 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.089 -6.801 14.540 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.230 -8.980 15.555 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.043 -8.099 16.497 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.731 -10.706 15.028 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.008 -10.201 16.541 1.00 0.00 H new ATOM 696 N GLU A 45 27.342 -9.008 11.947 1.00 0.00 N ATOM 697 CA GLU A 45 27.105 -9.004 10.504 1.00 0.00 C ATOM 698 C GLU A 45 25.612 -8.929 10.188 1.00 0.00 C ATOM 699 O GLU A 45 25.217 -8.409 9.144 1.00 0.00 O ATOM 700 CB GLU A 45 27.723 -10.238 9.846 1.00 0.00 C ATOM 701 CG GLU A 45 29.240 -10.282 9.942 1.00 0.00 C ATOM 702 CD GLU A 45 29.844 -11.448 9.185 1.00 0.00 C ATOM 703 OE1 GLU A 45 29.990 -11.344 7.951 1.00 0.00 O ATOM 704 OE2 GLU A 45 30.186 -12.468 9.820 1.00 0.00 O ATOM 0 H GLU A 45 27.795 -9.851 12.300 1.00 0.00 H new ATOM 0 HA GLU A 45 27.585 -8.115 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.311 -11.133 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.433 -10.264 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.651 -9.350 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.531 -10.346 10.990 1.00 0.00 H new ATOM 711 N THR A 46 24.792 -9.426 11.108 1.00 0.00 N ATOM 712 CA THR A 46 23.346 -9.432 10.935 1.00 0.00 C ATOM 713 C THR A 46 22.788 -8.009 10.872 1.00 0.00 C ATOM 714 O THR A 46 21.853 -7.732 10.117 1.00 0.00 O ATOM 715 CB THR A 46 22.672 -10.206 12.082 1.00 0.00 C ATOM 716 OG1 THR A 46 23.288 -11.492 12.209 1.00 0.00 O ATOM 717 CG2 THR A 46 21.184 -10.383 11.830 1.00 0.00 C ATOM 0 H THR A 46 25.109 -9.833 11.988 1.00 0.00 H new ATOM 0 HA THR A 46 23.127 -9.928 9.989 1.00 0.00 H new ATOM 0 HB THR A 46 22.796 -9.634 13.001 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.731 -12.067 12.775 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.738 -10.933 12.658 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.710 -9.405 11.747 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.035 -10.938 10.904 1.00 0.00 H new ATOM 725 N LEU A 47 23.381 -7.107 11.652 1.00 0.00 N ATOM 726 CA LEU A 47 22.955 -5.714 11.660 1.00 0.00 C ATOM 727 C LEU A 47 23.134 -5.097 10.284 1.00 0.00 C ATOM 728 O LEU A 47 22.228 -4.446 9.763 1.00 0.00 O ATOM 729 CB LEU A 47 23.732 -4.885 12.694 1.00 0.00 C ATOM 730 CG LEU A 47 23.330 -5.083 14.158 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.821 -4.966 14.316 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.834 -6.417 14.690 1.00 0.00 C ATOM 0 H LEU A 47 24.154 -7.317 12.283 1.00 0.00 H new ATOM 0 HA LEU A 47 21.900 -5.702 11.935 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.792 -5.120 12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.614 -3.830 12.446 1.00 0.00 H new ATOM 0 HG LEU A 47 23.798 -4.295 14.749 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.553 -5.109 15.363 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.497 -3.978 13.990 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.331 -5.727 13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.534 -6.530 15.732 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.408 -7.228 14.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.921 -6.449 14.620 1.00 0.00 H new ATOM 744 N ARG A 48 24.301 -5.329 9.691 1.00 0.00 N ATOM 745 CA ARG A 48 24.612 -4.778 8.380 1.00 0.00 C ATOM 746 C ARG A 48 23.630 -5.291 7.334 1.00 0.00 C ATOM 747 O ARG A 48 23.288 -4.576 6.401 1.00 0.00 O ATOM 748 CB ARG A 48 26.042 -5.122 7.959 1.00 0.00 C ATOM 749 CG ARG A 48 26.412 -4.539 6.605 1.00 0.00 C ATOM 750 CD ARG A 48 27.772 -5.014 6.127 1.00 0.00 C ATOM 751 NE ARG A 48 28.031 -4.592 4.750 1.00 0.00 N ATOM 752 CZ ARG A 48 28.641 -5.351 3.839 1.00 0.00 C ATOM 753 NH1 ARG A 48 29.137 -6.537 4.175 1.00 0.00 N ATOM 754 NH2 ARG A 48 28.767 -4.925 2.589 1.00 0.00 N ATOM 0 H ARG A 48 25.045 -5.895 10.099 1.00 0.00 H new ATOM 0 HA ARG A 48 24.524 -3.694 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.737 -4.751 8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.156 -6.206 7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 48 25.654 -4.817 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.411 -3.451 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.548 -4.619 6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.823 -6.101 6.192 1.00 0.00 H new ATOM 0 HE ARG A 48 27.726 -3.660 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.052 -6.872 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.602 -7.113 3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 48 28.396 -4.013 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 48 29.234 -5.509 1.896 1.00 0.00 H new ATOM 768 N VAL A 49 23.181 -6.530 7.498 1.00 0.00 N ATOM 769 CA VAL A 49 22.214 -7.115 6.578 1.00 0.00 C ATOM 770 C VAL A 49 20.918 -6.308 6.562 1.00 0.00 C ATOM 771 O VAL A 49 20.446 -5.904 5.496 1.00 0.00 O ATOM 772 CB VAL A 49 21.893 -8.580 6.938 1.00 0.00 C ATOM 773 CG1 VAL A 49 20.840 -9.150 5.999 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.153 -9.426 6.897 1.00 0.00 C ATOM 0 H VAL A 49 23.470 -7.147 8.257 1.00 0.00 H new ATOM 0 HA VAL A 49 22.670 -7.092 5.588 1.00 0.00 H new ATOM 0 HB VAL A 49 21.493 -8.601 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.630 -10.184 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 49 19.926 -8.561 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.209 -9.113 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.908 -10.457 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.581 -9.393 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.876 -9.036 7.613 1.00 0.00 H new ATOM 784 N TRP A 50 20.358 -6.062 7.744 1.00 0.00 N ATOM 785 CA TRP A 50 19.118 -5.302 7.854 1.00 0.00 C ATOM 786 C TRP A 50 19.309 -3.876 7.341 1.00 0.00 C ATOM 787 O TRP A 50 18.434 -3.325 6.666 1.00 0.00 O ATOM 788 CB TRP A 50 18.619 -5.276 9.303 1.00 0.00 C ATOM 789 CG TRP A 50 18.255 -6.630 9.838 1.00 0.00 C ATOM 790 CD1 TRP A 50 17.719 -7.675 9.140 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.381 -7.075 11.194 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.513 -8.745 9.976 1.00 0.00 N ATOM 793 CE2 TRP A 50 17.913 -8.401 11.243 1.00 0.00 C ATOM 794 CE3 TRP A 50 18.851 -6.482 12.368 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.900 -9.143 12.423 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.838 -7.218 13.538 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.365 -8.537 13.558 1.00 0.00 C ATOM 0 H TRP A 50 20.742 -6.377 8.635 1.00 0.00 H new ATOM 0 HA TRP A 50 18.368 -5.798 7.238 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.391 -4.840 9.937 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.748 -4.623 9.367 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.491 -7.662 8.085 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.126 -9.648 9.700 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.218 -5.466 12.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.536 -10.160 12.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.198 -6.769 14.452 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.368 -9.086 14.488 1.00 0.00 H new ATOM 808 N VAL A 51 20.458 -3.287 7.653 1.00 0.00 N ATOM 809 CA VAL A 51 20.774 -1.944 7.188 1.00 0.00 C ATOM 810 C VAL A 51 20.902 -1.925 5.666 1.00 0.00 C ATOM 811 O VAL A 51 20.392 -1.021 5.000 1.00 0.00 O ATOM 812 CB VAL A 51 22.078 -1.411 7.825 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.409 -0.016 7.305 1.00 0.00 C ATOM 814 CG2 VAL A 51 21.972 -1.406 9.346 1.00 0.00 C ATOM 0 H VAL A 51 21.184 -3.718 8.225 1.00 0.00 H new ATOM 0 HA VAL A 51 19.955 -1.292 7.493 1.00 0.00 H new ATOM 0 HB VAL A 51 22.890 -2.080 7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.331 0.336 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.538 -0.052 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 51 21.596 0.667 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 51 22.900 -1.027 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.144 -0.766 9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 51 21.796 -2.421 9.702 1.00 0.00 H new ATOM 824 N ARG A 52 21.557 -2.947 5.121 1.00 0.00 N ATOM 825 CA ARG A 52 21.765 -3.054 3.682 1.00 0.00 C ATOM 826 C ARG A 52 20.427 -3.175 2.961 1.00 0.00 C ATOM 827 O ARG A 52 20.264 -2.672 1.853 1.00 0.00 O ATOM 828 CB ARG A 52 22.658 -4.259 3.358 1.00 0.00 C ATOM 829 CG ARG A 52 23.207 -4.258 1.939 1.00 0.00 C ATOM 830 CD ARG A 52 24.125 -5.442 1.697 1.00 0.00 C ATOM 831 NE ARG A 52 24.804 -5.347 0.408 1.00 0.00 N ATOM 832 CZ ARG A 52 25.642 -6.266 -0.064 1.00 0.00 C ATOM 833 NH1 ARG A 52 25.872 -7.383 0.616 1.00 0.00 N ATOM 834 NH2 ARG A 52 26.234 -6.079 -1.234 1.00 0.00 N ATOM 0 H ARG A 52 21.955 -3.717 5.659 1.00 0.00 H new ATOM 0 HA ARG A 52 22.266 -2.150 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.492 -4.279 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.087 -5.174 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.381 -4.285 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.752 -3.331 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.866 -5.497 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.546 -6.365 1.736 1.00 0.00 H new ATOM 0 HE ARG A 52 24.624 -4.524 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.404 -7.542 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 52 26.516 -8.082 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 52 26.047 -5.232 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 52 26.877 -6.782 -1.598 1.00 0.00 H new ATOM 848 N GLN A 53 19.468 -3.839 3.602 1.00 0.00 N ATOM 849 CA GLN A 53 18.115 -3.927 3.065 1.00 0.00 C ATOM 850 C GLN A 53 17.515 -2.534 2.925 1.00 0.00 C ATOM 851 O GLN A 53 16.952 -2.192 1.886 1.00 0.00 O ATOM 852 CB GLN A 53 17.217 -4.778 3.965 1.00 0.00 C ATOM 853 CG GLN A 53 17.643 -6.233 4.074 1.00 0.00 C ATOM 854 CD GLN A 53 16.767 -7.024 5.029 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.235 -6.482 6.001 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.600 -8.308 4.756 1.00 0.00 N ATOM 0 H GLN A 53 19.603 -4.322 4.490 1.00 0.00 H new ATOM 0 HA GLN A 53 18.175 -4.401 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.202 -4.340 4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.197 -4.737 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.607 -6.694 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.678 -6.281 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.057 -8.720 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.014 -8.886 5.359 1.00 0.00 H new ATOM 865 N HIS A 54 17.668 -1.728 3.973 1.00 0.00 N ATOM 866 CA HIS A 54 17.133 -0.369 3.987 1.00 0.00 C ATOM 867 C HIS A 54 17.832 0.507 2.958 1.00 0.00 C ATOM 868 O HIS A 54 17.183 1.250 2.231 1.00 0.00 O ATOM 869 CB HIS A 54 17.284 0.258 5.376 1.00 0.00 C ATOM 870 CG HIS A 54 16.688 1.632 5.491 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.427 2.791 5.369 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.414 2.027 5.722 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.636 3.835 5.520 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.410 3.400 5.734 1.00 0.00 N ATOM 0 H HIS A 54 18.160 -1.994 4.826 1.00 0.00 H new ATOM 0 HA HIS A 54 16.075 -0.432 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.813 -0.394 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.343 0.310 5.627 1.00 0.00 H new ATOM 0 HD1 HIS A 54 18.430 2.833 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.560 1.382 5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.941 4.870 5.476 1.00 0.00 H new ATOM 883 N GLU A 55 19.153 0.420 2.905 1.00 0.00 N ATOM 884 CA GLU A 55 19.937 1.269 2.015 1.00 0.00 C ATOM 885 C GLU A 55 19.767 0.865 0.555 1.00 0.00 C ATOM 886 O GLU A 55 19.999 1.668 -0.351 1.00 0.00 O ATOM 887 CB GLU A 55 21.415 1.245 2.411 1.00 0.00 C ATOM 888 CG GLU A 55 21.668 1.809 3.798 1.00 0.00 C ATOM 889 CD GLU A 55 20.927 3.111 4.028 1.00 0.00 C ATOM 890 OE1 GLU A 55 21.334 4.144 3.459 1.00 0.00 O ATOM 891 OE2 GLU A 55 19.920 3.102 4.767 1.00 0.00 O ATOM 0 H GLU A 55 19.705 -0.228 3.466 1.00 0.00 H new ATOM 0 HA GLU A 55 19.563 2.287 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.779 0.219 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.990 1.816 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.360 1.080 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.737 1.972 3.933 1.00 0.00 H new ATOM 898 N ARG A 56 19.369 -0.376 0.328 1.00 0.00 N ATOM 899 CA ARG A 56 19.077 -0.839 -1.019 1.00 0.00 C ATOM 900 C ARG A 56 17.675 -0.393 -1.414 1.00 0.00 C ATOM 901 O ARG A 56 17.459 0.127 -2.504 1.00 0.00 O ATOM 902 CB ARG A 56 19.182 -2.361 -1.094 1.00 0.00 C ATOM 903 CG ARG A 56 19.404 -2.888 -2.498 1.00 0.00 C ATOM 904 CD ARG A 56 19.375 -4.405 -2.530 1.00 0.00 C ATOM 905 NE ARG A 56 18.023 -4.932 -2.355 1.00 0.00 N ATOM 906 CZ ARG A 56 17.747 -6.182 -1.992 1.00 0.00 C ATOM 907 NH1 ARG A 56 18.720 -7.008 -1.623 1.00 0.00 N ATOM 908 NH2 ARG A 56 16.490 -6.597 -1.962 1.00 0.00 N ATOM 0 H ARG A 56 19.241 -1.079 1.056 1.00 0.00 H new ATOM 0 HA ARG A 56 19.803 -0.409 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.003 -2.692 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.269 -2.800 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.635 -2.494 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 56 20.363 -2.533 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.780 -4.755 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 56 20.021 -4.796 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 56 17.240 -4.300 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.688 -6.686 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.499 -7.965 -1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.736 -5.959 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.276 -7.555 -1.684 1.00 0.00 H new ATOM 922 N ASP A 57 16.733 -0.589 -0.497 1.00 0.00 N ATOM 923 CA ASP A 57 15.343 -0.187 -0.702 1.00 0.00 C ATOM 924 C ASP A 57 15.231 1.327 -0.849 1.00 0.00 C ATOM 925 O ASP A 57 14.555 1.830 -1.745 1.00 0.00 O ATOM 926 CB ASP A 57 14.487 -0.670 0.474 1.00 0.00 C ATOM 927 CG ASP A 57 13.121 -0.014 0.528 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.181 -0.525 -0.114 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.979 1.006 1.231 1.00 0.00 O ATOM 0 H ASP A 57 16.909 -1.029 0.406 1.00 0.00 H new ATOM 0 HA ASP A 57 14.981 -0.644 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.361 -1.750 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.016 -0.470 1.406 1.00 0.00 H new ATOM 934 N THR A 58 15.903 2.042 0.037 1.00 0.00 N ATOM 935 CA THR A 58 15.933 3.489 -0.010 1.00 0.00 C ATOM 936 C THR A 58 17.362 3.962 -0.258 1.00 0.00 C ATOM 937 O THR A 58 18.130 4.188 0.679 1.00 0.00 O ATOM 938 CB THR A 58 15.403 4.103 1.302 1.00 0.00 C ATOM 939 OG1 THR A 58 14.174 3.464 1.682 1.00 0.00 O ATOM 940 CG2 THR A 58 15.170 5.600 1.149 1.00 0.00 C ATOM 0 H THR A 58 16.439 1.636 0.804 1.00 0.00 H new ATOM 0 HA THR A 58 15.287 3.818 -0.824 1.00 0.00 H new ATOM 0 HB THR A 58 16.153 3.945 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.096 2.603 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.796 6.008 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.108 6.090 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.438 5.776 0.361 1.00 0.00 H new ATOM 948 N GLY A 59 17.723 4.072 -1.525 1.00 0.00 N ATOM 949 CA GLY A 59 19.060 4.490 -1.879 1.00 0.00 C ATOM 950 C GLY A 59 19.520 3.909 -3.202 1.00 0.00 C ATOM 951 O GLY A 59 20.707 3.629 -3.386 1.00 0.00 O ATOM 0 H GLY A 59 17.111 3.878 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.095 5.578 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.752 4.187 -1.093 1.00 0.00 H new ATOM 955 N GLY A 60 18.584 3.717 -4.123 1.00 0.00 N ATOM 956 CA GLY A 60 18.935 3.237 -5.443 1.00 0.00 C ATOM 957 C GLY A 60 18.282 1.911 -5.785 1.00 0.00 C ATOM 958 O GLY A 60 17.137 1.884 -6.244 1.00 0.00 O ATOM 0 H GLY A 60 17.588 3.885 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.643 3.981 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 60 20.018 3.130 -5.509 1.00 0.00 H new ATOM 962 N ASP A 61 19.028 0.822 -5.577 1.00 0.00 N ATOM 963 CA ASP A 61 18.586 -0.549 -5.901 1.00 0.00 C ATOM 964 C ASP A 61 18.631 -0.810 -7.406 1.00 0.00 C ATOM 965 O ASP A 61 18.824 -1.950 -7.833 1.00 0.00 O ATOM 966 CB ASP A 61 17.177 -0.853 -5.361 1.00 0.00 C ATOM 967 CG ASP A 61 16.752 -2.291 -5.609 1.00 0.00 C ATOM 968 OD1 ASP A 61 17.100 -3.170 -4.790 1.00 0.00 O ATOM 969 OD2 ASP A 61 16.076 -2.556 -6.624 1.00 0.00 O ATOM 0 H ASP A 61 19.965 0.861 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 61 19.288 -1.219 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.151 -0.650 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.459 -0.180 -5.830 1.00 0.00 H new ATOM 974 N ASP A 62 18.468 0.245 -8.201 1.00 0.00 N ATOM 975 CA ASP A 62 18.486 0.134 -9.658 1.00 0.00 C ATOM 976 C ASP A 62 19.832 -0.373 -10.152 1.00 0.00 C ATOM 977 O ASP A 62 20.822 0.364 -10.185 1.00 0.00 O ATOM 978 CB ASP A 62 18.161 1.475 -10.323 1.00 0.00 C ATOM 979 CG ASP A 62 16.742 1.932 -10.055 1.00 0.00 C ATOM 980 OD1 ASP A 62 15.794 1.235 -10.478 1.00 0.00 O ATOM 981 OD2 ASP A 62 16.562 2.996 -9.429 1.00 0.00 O ATOM 0 H ASP A 62 18.321 1.194 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 62 17.716 -0.586 -9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.857 2.233 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.313 1.389 -11.399 1.00 0.00 H new ATOM 986 N GLY A 63 19.864 -1.639 -10.525 1.00 0.00 N ATOM 987 CA GLY A 63 21.085 -2.246 -11.001 1.00 0.00 C ATOM 988 C GLY A 63 20.824 -3.567 -11.682 1.00 0.00 C ATOM 989 O GLY A 63 19.989 -3.654 -12.585 1.00 0.00 O ATOM 0 H GLY A 63 19.057 -2.263 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.580 -1.569 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.767 -2.397 -10.164 1.00 0.00 H new ATOM 993 N GLY A 64 21.526 -4.597 -11.243 1.00 0.00 N ATOM 994 CA GLY A 64 21.353 -5.911 -11.817 1.00 0.00 C ATOM 995 C GLY A 64 22.215 -6.941 -11.123 1.00 0.00 C ATOM 996 O GLY A 64 22.755 -6.681 -10.047 1.00 0.00 O ATOM 0 H GLY A 64 22.217 -4.545 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.306 -6.205 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.604 -5.881 -12.877 1.00 0.00 H new ATOM 1000 N LEU A 65 22.358 -8.101 -11.744 1.00 0.00 N ATOM 1001 CA LEU A 65 23.170 -9.172 -11.186 1.00 0.00 C ATOM 1002 C LEU A 65 24.649 -8.851 -11.388 1.00 0.00 C ATOM 1003 O LEU A 65 25.505 -9.261 -10.599 1.00 0.00 O ATOM 1004 CB LEU A 65 22.792 -10.512 -11.843 1.00 0.00 C ATOM 1005 CG LEU A 65 23.456 -11.766 -11.263 1.00 0.00 C ATOM 1006 CD1 LEU A 65 22.533 -12.966 -11.410 1.00 0.00 C ATOM 1007 CD2 LEU A 65 24.783 -12.049 -11.958 1.00 0.00 C ATOM 0 H LEU A 65 21.921 -8.326 -12.638 1.00 0.00 H new ATOM 0 HA LEU A 65 22.982 -9.258 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.711 -10.634 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.038 -10.454 -12.903 1.00 0.00 H new ATOM 0 HG LEU A 65 23.649 -11.588 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 23.016 -13.850 -10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 65 21.602 -12.777 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 65 22.318 -13.133 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.235 -12.943 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.610 -12.205 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 65 25.454 -11.201 -11.820 1.00 0.00 H new ATOM 1019 N THR A 66 24.940 -8.095 -12.439 1.00 0.00 N ATOM 1020 CA THR A 66 26.308 -7.717 -12.749 1.00 0.00 C ATOM 1021 C THR A 66 26.752 -6.528 -11.900 1.00 0.00 C ATOM 1022 O THR A 66 26.524 -5.369 -12.257 1.00 0.00 O ATOM 1023 CB THR A 66 26.474 -7.380 -14.245 1.00 0.00 C ATOM 1024 OG1 THR A 66 25.466 -6.445 -14.657 1.00 0.00 O ATOM 1025 CG2 THR A 66 26.381 -8.640 -15.095 1.00 0.00 C ATOM 0 H THR A 66 24.244 -7.732 -13.091 1.00 0.00 H new ATOM 0 HA THR A 66 26.940 -8.574 -12.516 1.00 0.00 H new ATOM 0 HB THR A 66 27.459 -6.934 -14.386 1.00 0.00 H new ATOM 0 HG1 THR A 66 25.430 -5.701 -14.020 1.00 0.00 H new ATOM 0 HG21 THR A 66 26.501 -8.379 -16.147 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.167 -9.336 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.408 -9.108 -14.946 1.00 0.00 H new ATOM 1033 N THR A 67 27.352 -6.826 -10.759 1.00 0.00 N ATOM 1034 CA THR A 67 27.869 -5.796 -9.877 1.00 0.00 C ATOM 1035 C THR A 67 29.215 -5.285 -10.381 1.00 0.00 C ATOM 1036 O THR A 67 30.169 -6.055 -10.524 1.00 0.00 O ATOM 1037 CB THR A 67 28.026 -6.331 -8.442 1.00 0.00 C ATOM 1038 OG1 THR A 67 28.756 -7.565 -8.464 1.00 0.00 O ATOM 1039 CG2 THR A 67 26.669 -6.550 -7.790 1.00 0.00 C ATOM 0 H THR A 67 27.493 -7.778 -10.422 1.00 0.00 H new ATOM 0 HA THR A 67 27.154 -4.974 -9.870 1.00 0.00 H new ATOM 0 HB THR A 67 28.572 -5.591 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.403 -7.549 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.809 -6.928 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.126 -5.605 -7.753 1.00 0.00 H new ATOM 0 HG23 THR A 67 26.098 -7.274 -8.372 1.00 0.00 H new ATOM 1047 N ALA A 68 29.294 -3.989 -10.635 1.00 0.00 N ATOM 1048 CA ALA A 68 30.505 -3.385 -11.170 1.00 0.00 C ATOM 1049 C ALA A 68 31.459 -2.997 -10.045 1.00 0.00 C ATOM 1050 O ALA A 68 32.520 -2.427 -10.289 1.00 0.00 O ATOM 1051 CB ALA A 68 30.159 -2.167 -12.015 1.00 0.00 C ATOM 0 H ALA A 68 28.530 -3.331 -10.479 1.00 0.00 H new ATOM 0 HA ALA A 68 31.004 -4.120 -11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 68 31.074 -1.725 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 68 29.517 -2.469 -12.842 1.00 0.00 H new ATOM 0 HB3 ALA A 68 29.638 -1.434 -11.400 1.00 0.00 H new ATOM 1057 N GLU A 69 31.085 -3.343 -8.815 1.00 0.00 N ATOM 1058 CA GLU A 69 31.874 -3.000 -7.633 1.00 0.00 C ATOM 1059 C GLU A 69 33.229 -3.712 -7.626 1.00 0.00 C ATOM 1060 O GLU A 69 34.084 -3.420 -6.793 1.00 0.00 O ATOM 1061 CB GLU A 69 31.100 -3.354 -6.358 1.00 0.00 C ATOM 1062 CG GLU A 69 29.714 -2.738 -6.293 1.00 0.00 C ATOM 1063 CD GLU A 69 29.004 -3.025 -4.984 1.00 0.00 C ATOM 1064 OE1 GLU A 69 28.578 -4.178 -4.770 1.00 0.00 O ATOM 1065 OE2 GLU A 69 28.860 -2.089 -4.167 1.00 0.00 O ATOM 0 H GLU A 69 30.233 -3.865 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 69 32.058 -1.926 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 69 31.010 -4.438 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.675 -3.025 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 69 29.794 -1.659 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 29.113 -3.119 -7.118 1.00 0.00 H new ATOM 1072 N ARG A 70 33.417 -4.656 -8.541 1.00 0.00 N ATOM 1073 CA ARG A 70 34.682 -5.375 -8.628 1.00 0.00 C ATOM 1074 C ARG A 70 35.481 -4.959 -9.860 1.00 0.00 C ATOM 1075 O ARG A 70 36.700 -4.810 -9.793 1.00 0.00 O ATOM 1076 CB ARG A 70 34.449 -6.889 -8.628 1.00 0.00 C ATOM 1077 CG ARG A 70 35.709 -7.698 -8.900 1.00 0.00 C ATOM 1078 CD ARG A 70 35.573 -9.131 -8.420 1.00 0.00 C ATOM 1079 NE ARG A 70 35.548 -9.215 -6.960 1.00 0.00 N ATOM 1080 CZ ARG A 70 35.729 -10.342 -6.274 1.00 0.00 C ATOM 1081 NH1 ARG A 70 35.914 -11.492 -6.912 1.00 0.00 N ATOM 1082 NH2 ARG A 70 35.711 -10.322 -4.946 1.00 0.00 N ATOM 0 H ARG A 70 32.717 -4.939 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 70 35.267 -5.113 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 70 34.038 -7.185 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 33.700 -7.133 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.921 -7.691 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.557 -7.227 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 70 34.658 -9.565 -8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.404 -9.723 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 70 35.382 -8.357 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 70 35.918 -11.515 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 70 36.052 -12.353 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 35.558 -9.443 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 70 35.850 -11.185 -4.421 1.00 0.00 H new ATOM 1096 N GLN A 71 34.797 -4.767 -10.980 1.00 0.00 N ATOM 1097 CA GLN A 71 35.475 -4.408 -12.222 1.00 0.00 C ATOM 1098 C GLN A 71 35.798 -2.920 -12.251 1.00 0.00 C ATOM 1099 O GLN A 71 36.739 -2.487 -12.917 1.00 0.00 O ATOM 1100 CB GLN A 71 34.628 -4.797 -13.435 1.00 0.00 C ATOM 1101 CG GLN A 71 34.380 -6.295 -13.541 1.00 0.00 C ATOM 1102 CD GLN A 71 35.664 -7.107 -13.506 1.00 0.00 C ATOM 1103 OE1 GLN A 71 36.722 -6.647 -13.941 1.00 0.00 O ATOM 1104 NE2 GLN A 71 35.579 -8.323 -12.990 1.00 0.00 N ATOM 0 H GLN A 71 33.783 -4.852 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 71 36.412 -4.963 -12.267 1.00 0.00 H new ATOM 0 HB2 GLN A 71 33.670 -4.280 -13.381 1.00 0.00 H new ATOM 0 HB3 GLN A 71 35.125 -4.453 -14.342 1.00 0.00 H new ATOM 0 HG2 GLN A 71 33.733 -6.611 -12.722 1.00 0.00 H new ATOM 0 HG3 GLN A 71 33.847 -6.506 -14.468 1.00 0.00 H new ATOM 0 HE21 GLN A 71 34.685 -8.667 -12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 71 36.408 -8.916 -12.942 1.00 0.00 H new ATOM 1113 N ARG A 72 35.013 -2.140 -11.527 1.00 0.00 N ATOM 1114 CA ARG A 72 35.274 -0.721 -11.380 1.00 0.00 C ATOM 1115 C ARG A 72 35.853 -0.452 -10.002 1.00 0.00 C ATOM 1116 O ARG A 72 35.137 -0.500 -9.000 1.00 0.00 O ATOM 1117 CB ARG A 72 33.993 0.095 -11.574 1.00 0.00 C ATOM 1118 CG ARG A 72 33.407 0.012 -12.975 1.00 0.00 C ATOM 1119 CD ARG A 72 34.388 0.509 -14.022 1.00 0.00 C ATOM 1120 NE ARG A 72 33.737 0.776 -15.301 1.00 0.00 N ATOM 1121 CZ ARG A 72 34.299 0.557 -16.492 1.00 0.00 C ATOM 1122 NH1 ARG A 72 35.491 -0.020 -16.581 1.00 0.00 N ATOM 1123 NH2 ARG A 72 33.657 0.902 -17.597 1.00 0.00 N ATOM 0 H ARG A 72 34.186 -2.469 -11.030 1.00 0.00 H new ATOM 0 HA ARG A 72 35.989 -0.419 -12.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 33.245 -0.248 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 72 34.202 1.139 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.132 -1.020 -13.194 1.00 0.00 H new ATOM 0 HG3 ARG A 72 32.492 0.603 -13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 72 34.870 1.419 -13.664 1.00 0.00 H new ATOM 0 HD3 ARG A 72 35.174 -0.233 -14.163 1.00 0.00 H new ATOM 0 HE ARG A 72 32.790 1.155 -15.284 1.00 0.00 H new ATOM 0 HH11 ARG A 72 35.986 -0.301 -15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 72 35.912 -0.183 -17.496 1.00 0.00 H new ATOM 0 HH21 ARG A 72 32.735 1.334 -17.537 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.084 0.736 -18.508 1.00 0.00 H new ATOM 1137 N LEU A 73 37.153 -0.196 -9.955 1.00 0.00 N ATOM 1138 CA LEU A 73 37.826 0.078 -8.695 1.00 0.00 C ATOM 1139 C LEU A 73 37.339 1.398 -8.116 1.00 0.00 C ATOM 1140 O LEU A 73 36.891 1.446 -6.971 1.00 0.00 O ATOM 1141 CB LEU A 73 39.344 0.113 -8.891 1.00 0.00 C ATOM 1142 CG LEU A 73 39.972 -1.204 -9.354 1.00 0.00 C ATOM 1143 CD1 LEU A 73 41.472 -1.042 -9.539 1.00 0.00 C ATOM 1144 CD2 LEU A 73 39.673 -2.320 -8.361 1.00 0.00 C ATOM 0 H LEU A 73 37.761 -0.173 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 73 37.588 -0.723 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.582 0.887 -9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 73 39.809 0.408 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 73 39.533 -1.474 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.902 -1.988 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.665 -0.275 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.926 -0.747 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.128 -3.248 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.082 -2.058 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.594 -2.454 -8.278 1.00 0.00 H new ATOM 1156 N LYS A 74 37.415 2.453 -8.932 1.00 0.00 N ATOM 1157 CA LYS A 74 36.981 3.792 -8.539 1.00 0.00 C ATOM 1158 C LYS A 74 37.765 4.261 -7.317 1.00 0.00 C ATOM 1159 O LYS A 74 37.375 4.002 -6.176 1.00 0.00 O ATOM 1160 CB LYS A 74 35.473 3.807 -8.269 1.00 0.00 C ATOM 1161 CG LYS A 74 34.886 5.199 -8.097 1.00 0.00 C ATOM 1162 CD LYS A 74 33.386 5.135 -7.873 1.00 0.00 C ATOM 1163 CE LYS A 74 33.048 4.430 -6.572 1.00 0.00 C ATOM 1164 NZ LYS A 74 31.595 4.147 -6.451 1.00 0.00 N ATOM 0 H LYS A 74 37.779 2.401 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 74 37.181 4.484 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 74 34.962 3.309 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 74 35.270 3.225 -7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 74 35.362 5.696 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 35.100 5.799 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 74 32.976 6.145 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 74 32.915 4.612 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 33.605 3.495 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 74 33.368 5.047 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 31.409 3.665 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 31.064 5.040 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 31.293 3.537 -7.237 1.00 0.00 H new ATOM 1178 N GLU A 75 38.876 4.947 -7.578 1.00 0.00 N ATOM 1179 CA GLU A 75 39.849 5.294 -6.545 1.00 0.00 C ATOM 1180 C GLU A 75 40.487 4.020 -5.993 1.00 0.00 C ATOM 1181 O GLU A 75 40.004 3.428 -5.025 1.00 0.00 O ATOM 1182 CB GLU A 75 39.236 6.139 -5.416 1.00 0.00 C ATOM 1183 CG GLU A 75 38.925 7.581 -5.808 1.00 0.00 C ATOM 1184 CD GLU A 75 37.752 7.715 -6.762 1.00 0.00 C ATOM 1185 OE1 GLU A 75 36.602 7.839 -6.285 1.00 0.00 O ATOM 1186 OE2 GLU A 75 37.968 7.707 -7.992 1.00 0.00 O ATOM 0 H GLU A 75 39.127 5.277 -8.510 1.00 0.00 H new ATOM 0 HA GLU A 75 40.618 5.914 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 75 38.317 5.660 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 75 39.922 6.145 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 75 38.716 8.156 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 75 39.809 8.021 -6.269 1.00 0.00 H new ATOM 1193 N PRO A 76 41.573 3.572 -6.644 1.00 0.00 N ATOM 1194 CA PRO A 76 42.235 2.302 -6.327 1.00 0.00 C ATOM 1195 C PRO A 76 42.778 2.244 -4.905 1.00 0.00 C ATOM 1196 O PRO A 76 43.723 2.951 -4.552 1.00 0.00 O ATOM 1197 CB PRO A 76 43.388 2.228 -7.335 1.00 0.00 C ATOM 1198 CG PRO A 76 43.018 3.182 -8.417 1.00 0.00 C ATOM 1199 CD PRO A 76 42.248 4.276 -7.744 1.00 0.00 C ATOM 0 HA PRO A 76 41.534 1.470 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 76 44.335 2.505 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 76 43.507 1.217 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 76 43.905 3.575 -8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 42.416 2.692 -9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 76 42.904 5.065 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 76 41.535 4.744 -8.422 1.00 0.00 H new ATOM 1207 N GLU A 77 42.161 1.401 -4.091 1.00 0.00 N ATOM 1208 CA GLU A 77 42.614 1.183 -2.726 1.00 0.00 C ATOM 1209 C GLU A 77 43.544 -0.021 -2.657 1.00 0.00 C ATOM 1210 O GLU A 77 44.338 -0.154 -1.726 1.00 0.00 O ATOM 1211 CB GLU A 77 41.424 0.940 -1.800 1.00 0.00 C ATOM 1212 CG GLU A 77 40.636 -0.312 -2.153 1.00 0.00 C ATOM 1213 CD GLU A 77 39.669 -0.722 -1.068 1.00 0.00 C ATOM 1214 OE1 GLU A 77 40.115 -1.334 -0.074 1.00 0.00 O ATOM 1215 OE2 GLU A 77 38.461 -0.446 -1.209 1.00 0.00 O ATOM 0 H GLU A 77 41.341 0.854 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 77 43.150 2.076 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 77 41.781 0.859 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 77 40.759 1.803 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 77 40.085 -0.140 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 77 41.330 -1.131 -2.343 1.00 0.00 H new ATOM 1222 N ARG A 78 43.440 -0.898 -3.649 1.00 0.00 N ATOM 1223 CA ARG A 78 44.150 -2.167 -3.624 1.00 0.00 C ATOM 1224 C ARG A 78 44.717 -2.497 -5.000 1.00 0.00 C ATOM 1225 O ARG A 78 44.113 -2.172 -6.025 1.00 0.00 O ATOM 1226 CB ARG A 78 43.209 -3.294 -3.167 1.00 0.00 C ATOM 1227 CG ARG A 78 42.004 -3.490 -4.078 1.00 0.00 C ATOM 1228 CD ARG A 78 41.110 -4.637 -3.619 1.00 0.00 C ATOM 1229 NE ARG A 78 40.488 -4.377 -2.320 1.00 0.00 N ATOM 1230 CZ ARG A 78 39.245 -4.741 -1.996 1.00 0.00 C ATOM 1231 NH1 ARG A 78 38.487 -5.398 -2.868 1.00 0.00 N ATOM 1232 NH2 ARG A 78 38.766 -4.452 -0.793 1.00 0.00 N ATOM 0 H ARG A 78 42.869 -0.751 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 78 44.976 -2.080 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 78 43.771 -4.227 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 78 42.859 -3.077 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 78 41.422 -2.569 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 78 42.348 -3.685 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 78 40.332 -4.807 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 78 41.700 -5.552 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 78 41.040 -3.886 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 78 38.854 -5.627 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 78 37.538 -5.673 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 78 39.347 -3.953 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 78 37.817 -4.729 -0.542 1.00 0.00 H new ATOM 1246 N GLU A 79 45.885 -3.122 -5.017 1.00 0.00 N ATOM 1247 CA GLU A 79 46.474 -3.612 -6.254 1.00 0.00 C ATOM 1248 C GLU A 79 46.169 -5.095 -6.394 1.00 0.00 C ATOM 1249 O GLU A 79 45.508 -5.679 -5.533 1.00 0.00 O ATOM 1250 CB GLU A 79 47.996 -3.402 -6.274 1.00 0.00 C ATOM 1251 CG GLU A 79 48.448 -1.977 -5.986 1.00 0.00 C ATOM 1252 CD GLU A 79 48.457 -1.650 -4.505 1.00 0.00 C ATOM 1253 OE1 GLU A 79 49.345 -2.157 -3.786 1.00 0.00 O ATOM 1254 OE2 GLU A 79 47.569 -0.898 -4.049 1.00 0.00 O ATOM 0 H GLU A 79 46.446 -3.302 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 79 46.044 -3.052 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 79 48.450 -4.068 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 79 48.377 -3.698 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 79 49.449 -1.829 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 79 47.788 -1.280 -6.503 1.00 0.00 H new ATOM 1261 N ASN A 80 46.652 -5.707 -7.466 1.00 0.00 N ATOM 1262 CA ASN A 80 46.501 -7.146 -7.643 1.00 0.00 C ATOM 1263 C ASN A 80 47.552 -7.875 -6.817 1.00 0.00 C ATOM 1264 O ASN A 80 48.545 -8.375 -7.341 1.00 0.00 O ATOM 1265 CB ASN A 80 46.610 -7.551 -9.121 1.00 0.00 C ATOM 1266 CG ASN A 80 45.522 -6.932 -9.977 1.00 0.00 C ATOM 1267 OD1 ASN A 80 44.424 -7.475 -10.102 1.00 0.00 O ATOM 1268 ND2 ASN A 80 45.826 -5.801 -10.592 1.00 0.00 N ATOM 0 H ASN A 80 47.148 -5.235 -8.222 1.00 0.00 H new ATOM 0 HA ASN A 80 45.506 -7.428 -7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 80 47.585 -7.250 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 80 46.557 -8.637 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 80 45.139 -5.348 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 80 46.747 -5.382 -10.463 1.00 0.00 H new ATOM 1275 N ARG A 81 47.334 -7.895 -5.511 1.00 0.00 N ATOM 1276 CA ARG A 81 48.282 -8.495 -4.583 1.00 0.00 C ATOM 1277 C ARG A 81 47.876 -9.916 -4.222 1.00 0.00 C ATOM 1278 O ARG A 81 48.633 -10.640 -3.581 1.00 0.00 O ATOM 1279 CB ARG A 81 48.403 -7.641 -3.317 1.00 0.00 C ATOM 1280 CG ARG A 81 47.067 -7.155 -2.780 1.00 0.00 C ATOM 1281 CD ARG A 81 47.189 -6.625 -1.360 1.00 0.00 C ATOM 1282 NE ARG A 81 48.249 -5.628 -1.220 1.00 0.00 N ATOM 1283 CZ ARG A 81 48.300 -4.724 -0.241 1.00 0.00 C ATOM 1284 NH1 ARG A 81 47.330 -4.667 0.666 1.00 0.00 N ATOM 1285 NH2 ARG A 81 49.318 -3.873 -0.184 1.00 0.00 N ATOM 0 H ARG A 81 46.505 -7.501 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 81 49.253 -8.536 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 81 48.906 -8.222 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 81 49.035 -6.779 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 81 46.678 -6.370 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 81 46.347 -7.973 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 81 46.239 -6.184 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 81 47.385 -7.456 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 81 48.996 -5.624 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 81 46.544 -5.316 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 81 47.371 -3.975 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 81 50.056 -3.913 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 81 49.362 -3.180 0.563 1.00 0.00 H new ATOM 1299 N GLU A 82 46.692 -10.320 -4.659 1.00 0.00 N ATOM 1300 CA GLU A 82 46.176 -11.657 -4.366 1.00 0.00 C ATOM 1301 C GLU A 82 46.748 -12.691 -5.337 1.00 0.00 C ATOM 1302 O GLU A 82 46.183 -13.767 -5.524 1.00 0.00 O ATOM 1303 CB GLU A 82 44.644 -11.667 -4.420 1.00 0.00 C ATOM 1304 CG GLU A 82 43.974 -11.067 -3.189 1.00 0.00 C ATOM 1305 CD GLU A 82 44.403 -9.643 -2.906 1.00 0.00 C ATOM 1306 OE1 GLU A 82 44.129 -8.757 -3.745 1.00 0.00 O ATOM 1307 OE2 GLU A 82 45.007 -9.401 -1.843 1.00 0.00 O ATOM 0 H GLU A 82 46.066 -9.742 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 82 46.492 -11.925 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 82 44.319 -11.116 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 82 44.302 -12.695 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 82 42.893 -11.093 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 82 44.202 -11.687 -2.322 1.00 0.00 H new ATOM 1314 N LEU A 83 47.881 -12.357 -5.935 1.00 0.00 N ATOM 1315 CA LEU A 83 48.587 -13.255 -6.838 1.00 0.00 C ATOM 1316 C LEU A 83 49.835 -13.777 -6.126 1.00 0.00 C ATOM 1317 O LEU A 83 50.812 -14.187 -6.749 1.00 0.00 O ATOM 1318 CB LEU A 83 48.976 -12.495 -8.114 1.00 0.00 C ATOM 1319 CG LEU A 83 49.390 -13.365 -9.302 1.00 0.00 C ATOM 1320 CD1 LEU A 83 48.196 -14.153 -9.820 1.00 0.00 C ATOM 1321 CD2 LEU A 83 49.983 -12.509 -10.408 1.00 0.00 C ATOM 0 H LEU A 83 48.338 -11.454 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 83 47.950 -14.094 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 48.132 -11.875 -8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 49.799 -11.820 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 83 50.152 -14.069 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 83 48.505 -14.768 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 83 47.811 -14.794 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 83 47.415 -13.463 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 83 50.272 -13.145 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 83 49.242 -11.783 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 83 50.861 -11.984 -10.031 1.00 0.00 H new ATOM 1333 N ARG A 84 49.769 -13.767 -4.801 1.00 0.00 N ATOM 1334 CA ARG A 84 50.926 -14.038 -3.958 1.00 0.00 C ATOM 1335 C ARG A 84 51.100 -15.527 -3.653 1.00 0.00 C ATOM 1336 O ARG A 84 50.382 -16.100 -2.833 1.00 0.00 O ATOM 1337 CB ARG A 84 50.817 -13.244 -2.651 1.00 0.00 C ATOM 1338 CG ARG A 84 49.461 -13.377 -1.969 1.00 0.00 C ATOM 1339 CD ARG A 84 49.434 -12.684 -0.616 1.00 0.00 C ATOM 1340 NE ARG A 84 49.759 -11.261 -0.714 1.00 0.00 N ATOM 1341 CZ ARG A 84 48.986 -10.283 -0.248 1.00 0.00 C ATOM 1342 NH1 ARG A 84 47.800 -10.557 0.285 1.00 0.00 N ATOM 1343 NH2 ARG A 84 49.396 -9.025 -0.330 1.00 0.00 N ATOM 0 H ARG A 84 48.914 -13.571 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 84 51.809 -13.722 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 84 51.594 -13.581 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 84 51.009 -12.191 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 84 48.689 -12.951 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 84 49.222 -14.433 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 84 48.445 -12.799 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 84 50.143 -13.171 0.053 1.00 0.00 H new ATOM 0 HE ARG A 84 50.634 -11.002 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 84 47.476 -11.523 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 84 47.214 -9.802 0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 84 50.301 -8.810 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 84 48.807 -8.272 0.026 1.00 0.00 H new ATOM 1357 N ARG A 85 52.051 -16.147 -4.335 1.00 0.00 N ATOM 1358 CA ARG A 85 52.511 -17.484 -3.981 1.00 0.00 C ATOM 1359 C ARG A 85 53.999 -17.435 -3.678 1.00 0.00 C ATOM 1360 O ARG A 85 54.669 -16.458 -4.010 1.00 0.00 O ATOM 1361 CB ARG A 85 52.244 -18.503 -5.094 1.00 0.00 C ATOM 1362 CG ARG A 85 50.831 -19.063 -5.096 1.00 0.00 C ATOM 1363 CD ARG A 85 49.811 -18.043 -5.567 1.00 0.00 C ATOM 1364 NE ARG A 85 50.028 -17.662 -6.959 1.00 0.00 N ATOM 1365 CZ ARG A 85 49.045 -17.396 -7.811 1.00 0.00 C ATOM 1366 NH1 ARG A 85 47.779 -17.446 -7.412 1.00 0.00 N ATOM 1367 NH2 ARG A 85 49.328 -17.086 -9.064 1.00 0.00 N ATOM 0 H ARG A 85 52.523 -15.743 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 85 51.953 -17.809 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 85 52.438 -18.032 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 85 52.950 -19.327 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 85 50.790 -19.940 -5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 85 50.572 -19.396 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 85 48.808 -18.454 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 49.865 -17.157 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 85 50.988 -17.596 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 85 47.558 -17.690 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 85 47.028 -17.241 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 85 50.299 -17.052 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 48.575 -16.881 -9.721 1.00 0.00 H new ATOM 1381 N SER A 86 54.521 -18.484 -3.061 1.00 0.00 N ATOM 1382 CA SER A 86 55.933 -18.538 -2.713 1.00 0.00 C ATOM 1383 C SER A 86 56.792 -18.689 -3.967 1.00 0.00 C ATOM 1384 O SER A 86 57.973 -18.339 -3.969 1.00 0.00 O ATOM 1385 CB SER A 86 56.191 -19.694 -1.743 1.00 0.00 C ATOM 1386 OG SER A 86 55.411 -19.549 -0.567 1.00 0.00 O ATOM 0 H SER A 86 53.988 -19.310 -2.791 1.00 0.00 H new ATOM 0 HA SER A 86 56.207 -17.603 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 86 55.954 -20.641 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 86 57.249 -19.726 -1.482 1.00 0.00 H new ATOM 0 HG SER A 86 55.590 -20.299 0.038 1.00 0.00 H new ATOM 1392 N ASN A 87 56.184 -19.184 -5.037 1.00 0.00 N ATOM 1393 CA ASN A 87 56.894 -19.376 -6.295 1.00 0.00 C ATOM 1394 C ASN A 87 56.636 -18.222 -7.261 1.00 0.00 C ATOM 1395 O ASN A 87 57.137 -18.226 -8.387 1.00 0.00 O ATOM 1396 CB ASN A 87 56.512 -20.709 -6.947 1.00 0.00 C ATOM 1397 CG ASN A 87 55.018 -20.873 -7.142 1.00 0.00 C ATOM 1398 OD1 ASN A 87 54.459 -20.458 -8.155 1.00 0.00 O ATOM 1399 ND2 ASN A 87 54.367 -21.499 -6.177 1.00 0.00 N ATOM 0 H ASN A 87 55.202 -19.460 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 87 57.959 -19.397 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 87 57.009 -20.788 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 87 56.883 -21.527 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 87 53.362 -21.654 -6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 87 54.870 -21.828 -5.352 1.00 0.00 H new ATOM 1406 N ASP A 88 55.864 -17.235 -6.820 1.00 0.00 N ATOM 1407 CA ASP A 88 55.622 -16.041 -7.626 1.00 0.00 C ATOM 1408 C ASP A 88 56.481 -14.892 -7.124 1.00 0.00 C ATOM 1409 O ASP A 88 56.453 -14.550 -5.940 1.00 0.00 O ATOM 1410 CB ASP A 88 54.142 -15.632 -7.610 1.00 0.00 C ATOM 1411 CG ASP A 88 53.290 -16.430 -8.582 1.00 0.00 C ATOM 1412 OD1 ASP A 88 53.365 -16.167 -9.807 1.00 0.00 O ATOM 1413 OD2 ASP A 88 52.528 -17.312 -8.132 1.00 0.00 O ATOM 0 H ASP A 88 55.396 -17.236 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 88 55.891 -16.277 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 88 53.747 -15.759 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 54.062 -14.572 -7.852 1.00 0.00 H new ATOM 1418 N ILE A 89 57.247 -14.301 -8.021 1.00 0.00 N ATOM 1419 CA ILE A 89 58.156 -13.225 -7.659 1.00 0.00 C ATOM 1420 C ILE A 89 57.682 -11.897 -8.232 1.00 0.00 C ATOM 1421 O ILE A 89 56.660 -11.842 -8.918 1.00 0.00 O ATOM 1422 CB ILE A 89 59.596 -13.508 -8.137 1.00 0.00 C ATOM 1423 CG1 ILE A 89 59.614 -13.817 -9.639 1.00 0.00 C ATOM 1424 CG2 ILE A 89 60.205 -14.652 -7.336 1.00 0.00 C ATOM 1425 CD1 ILE A 89 61.002 -14.041 -10.195 1.00 0.00 C ATOM 0 H ILE A 89 57.259 -14.548 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 89 58.160 -13.166 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 89 60.201 -12.617 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 89 59.009 -14.704 -9.826 1.00 0.00 H new ATOM 0 HG13 ILE A 89 59.145 -12.993 -10.177 1.00 0.00 H new ATOM 0 HG21 ILE A 89 61.221 -14.840 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 89 60.228 -14.385 -6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 89 59.603 -15.551 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 89 60.937 -14.254 -11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 89 61.605 -13.146 -10.040 1.00 0.00 H new ATOM 0 HD13 ILE A 89 61.467 -14.884 -9.684 1.00 0.00 H new ATOM 1437 N LEU A 90 58.438 -10.838 -7.948 1.00 0.00 N ATOM 1438 CA LEU A 90 58.102 -9.483 -8.379 1.00 0.00 C ATOM 1439 C LEU A 90 56.800 -9.020 -7.743 1.00 0.00 C ATOM 1440 O LEU A 90 55.734 -9.059 -8.360 1.00 0.00 O ATOM 1441 CB LEU A 90 58.018 -9.363 -9.908 1.00 0.00 C ATOM 1442 CG LEU A 90 59.344 -9.103 -10.632 1.00 0.00 C ATOM 1443 CD1 LEU A 90 60.296 -10.278 -10.485 1.00 0.00 C ATOM 1444 CD2 LEU A 90 59.089 -8.811 -12.099 1.00 0.00 C ATOM 0 H LEU A 90 59.303 -10.896 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 90 58.911 -8.835 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 90 57.585 -10.282 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 90 57.328 -8.555 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 90 59.815 -8.234 -10.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 61.226 -10.061 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 90 60.506 -10.446 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 90 59.839 -11.172 -10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 90 60.038 -8.628 -12.604 1.00 0.00 H new ATOM 0 HD22 LEU A 90 58.592 -9.665 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 58.454 -7.930 -12.190 1.00 0.00 H new ATOM 1456 N ARG A 91 56.889 -8.611 -6.489 1.00 0.00 N ATOM 1457 CA ARG A 91 55.741 -8.075 -5.785 1.00 0.00 C ATOM 1458 C ARG A 91 55.594 -6.597 -6.114 1.00 0.00 C ATOM 1459 O ARG A 91 56.491 -5.802 -5.826 1.00 0.00 O ATOM 1460 CB ARG A 91 55.885 -8.291 -4.277 1.00 0.00 C ATOM 1461 CG ARG A 91 55.994 -9.761 -3.897 1.00 0.00 C ATOM 1462 CD ARG A 91 56.187 -9.957 -2.401 1.00 0.00 C ATOM 1463 NE ARG A 91 57.392 -9.289 -1.906 1.00 0.00 N ATOM 1464 CZ ARG A 91 58.576 -9.883 -1.748 1.00 0.00 C ATOM 1465 NH1 ARG A 91 58.750 -11.149 -2.100 1.00 0.00 N ATOM 1466 NH2 ARG A 91 59.594 -9.195 -1.249 1.00 0.00 N ATOM 0 H ARG A 91 57.747 -8.641 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 91 54.842 -8.600 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 91 56.770 -7.763 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 91 55.027 -7.852 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 91 55.093 -10.285 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 91 56.831 -10.211 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 91 55.316 -9.572 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 91 56.248 -11.023 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 91 57.321 -8.300 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 91 57.974 -11.679 -2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 91 59.660 -11.593 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 91 59.469 -8.217 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 91 60.502 -9.644 -1.126 1.00 0.00 H new ATOM 1480 N LEU A 92 54.467 -6.257 -6.739 1.00 0.00 N ATOM 1481 CA LEU A 92 54.203 -4.909 -7.248 1.00 0.00 C ATOM 1482 C LEU A 92 55.042 -4.632 -8.494 1.00 0.00 C ATOM 1483 O LEU A 92 54.532 -4.696 -9.613 1.00 0.00 O ATOM 1484 CB LEU A 92 54.443 -3.831 -6.180 1.00 0.00 C ATOM 1485 CG LEU A 92 53.485 -3.871 -4.988 1.00 0.00 C ATOM 1486 CD1 LEU A 92 53.838 -2.780 -3.989 1.00 0.00 C ATOM 1487 CD2 LEU A 92 52.046 -3.720 -5.459 1.00 0.00 C ATOM 0 H LEU A 92 53.705 -6.914 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 92 53.148 -4.865 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 92 55.463 -3.930 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 92 54.369 -2.851 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 92 53.585 -4.837 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 92 53.148 -2.821 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 54.857 -2.930 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 92 53.763 -1.806 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 92 51.377 -3.750 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 51.930 -2.767 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 92 51.799 -4.534 -6.140 1.00 0.00 H new ATOM 1499 N ALA A 93 56.326 -4.351 -8.299 1.00 0.00 N ATOM 1500 CA ALA A 93 57.236 -4.093 -9.409 1.00 0.00 C ATOM 1501 C ALA A 93 58.680 -4.031 -8.928 1.00 0.00 C ATOM 1502 O ALA A 93 59.472 -4.943 -9.181 1.00 0.00 O ATOM 1503 CB ALA A 93 56.868 -2.798 -10.123 1.00 0.00 C ATOM 0 H ALA A 93 56.761 -4.296 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 93 57.140 -4.919 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 93 57.561 -2.627 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 93 55.853 -2.873 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 93 56.927 -1.966 -9.421 1.00 0.00 H new ATOM 1509 N SER A 94 59.011 -2.965 -8.214 1.00 0.00 N ATOM 1510 CA SER A 94 60.376 -2.735 -7.763 1.00 0.00 C ATOM 1511 C SER A 94 60.418 -1.647 -6.693 1.00 0.00 C ATOM 1512 O SER A 94 61.170 -1.751 -5.719 1.00 0.00 O ATOM 1513 CB SER A 94 61.261 -2.348 -8.953 1.00 0.00 C ATOM 1514 OG SER A 94 60.677 -1.292 -9.705 1.00 0.00 O ATOM 0 H SER A 94 58.349 -2.242 -7.933 1.00 0.00 H new ATOM 0 HA SER A 94 60.756 -3.657 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 94 62.244 -2.043 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 94 61.411 -3.216 -9.595 1.00 0.00 H new ATOM 0 HG SER A 94 61.262 -1.063 -10.457 1.00 0.00 H new ATOM 1520 N ALA A 95 59.611 -0.599 -6.901 1.00 0.00 N ATOM 1521 CA ALA A 95 59.485 0.522 -5.967 1.00 0.00 C ATOM 1522 C ALA A 95 60.742 1.390 -5.947 1.00 0.00 C ATOM 1523 O ALA A 95 60.844 2.334 -5.157 1.00 0.00 O ATOM 1524 CB ALA A 95 59.144 0.034 -4.562 1.00 0.00 C ATOM 0 H ALA A 95 59.023 -0.507 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 95 58.662 1.143 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 95 59.057 0.889 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 95 58.198 -0.507 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 59.933 -0.628 -4.205 1.00 0.00 H new ATOM 1530 N TYR A 96 61.685 1.082 -6.830 1.00 0.00 N ATOM 1531 CA TYR A 96 62.940 1.815 -6.908 1.00 0.00 C ATOM 1532 C TYR A 96 63.749 1.318 -8.103 1.00 0.00 C ATOM 1533 O TYR A 96 63.808 0.115 -8.354 1.00 0.00 O ATOM 1534 CB TYR A 96 63.736 1.632 -5.611 1.00 0.00 C ATOM 1535 CG TYR A 96 64.808 2.676 -5.393 1.00 0.00 C ATOM 1536 CD1 TYR A 96 64.505 4.032 -5.454 1.00 0.00 C ATOM 1537 CD2 TYR A 96 66.118 2.310 -5.128 1.00 0.00 C ATOM 1538 CE1 TYR A 96 65.481 4.990 -5.252 1.00 0.00 C ATOM 1539 CE2 TYR A 96 67.097 3.263 -4.923 1.00 0.00 C ATOM 1540 CZ TYR A 96 66.775 4.599 -4.988 1.00 0.00 C ATOM 1541 OH TYR A 96 67.751 5.550 -4.789 1.00 0.00 O ATOM 0 H TYR A 96 61.601 0.323 -7.506 1.00 0.00 H new ATOM 0 HA TYR A 96 62.731 2.877 -7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 96 63.046 1.653 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 96 64.200 0.646 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 96 63.491 4.341 -5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 96 66.378 1.263 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 96 65.230 6.039 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 96 68.112 2.960 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 96 68.608 5.108 -4.613 1.00 0.00 H new ATOM 1551 N PHE A 97 64.345 2.245 -8.845 1.00 0.00 N ATOM 1552 CA PHE A 97 65.107 1.898 -10.041 1.00 0.00 C ATOM 1553 C PHE A 97 66.438 1.235 -9.682 1.00 0.00 C ATOM 1554 O PHE A 97 66.631 0.042 -9.920 1.00 0.00 O ATOM 1555 CB PHE A 97 65.347 3.149 -10.898 1.00 0.00 C ATOM 1556 CG PHE A 97 66.132 2.890 -12.155 1.00 0.00 C ATOM 1557 CD1 PHE A 97 65.579 2.156 -13.191 1.00 0.00 C ATOM 1558 CD2 PHE A 97 67.422 3.378 -12.298 1.00 0.00 C ATOM 1559 CE1 PHE A 97 66.296 1.915 -14.346 1.00 0.00 C ATOM 1560 CE2 PHE A 97 68.144 3.138 -13.453 1.00 0.00 C ATOM 1561 CZ PHE A 97 67.581 2.406 -14.478 1.00 0.00 C ATOM 0 H PHE A 97 64.316 3.244 -8.640 1.00 0.00 H new ATOM 0 HA PHE A 97 64.522 1.180 -10.616 1.00 0.00 H new ATOM 0 HB2 PHE A 97 64.384 3.583 -11.167 1.00 0.00 H new ATOM 0 HB3 PHE A 97 65.875 3.891 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE A 97 64.576 1.768 -13.094 1.00 0.00 H new ATOM 0 HD2 PHE A 97 67.868 3.952 -11.499 1.00 0.00 H new ATOM 0 HE1 PHE A 97 65.852 1.342 -15.147 1.00 0.00 H new ATOM 0 HE2 PHE A 97 69.148 3.523 -13.552 1.00 0.00 H new ATOM 0 HZ PHE A 97 68.143 2.217 -15.381 1.00 0.00 H new ATOM 1571 N ALA A 98 67.350 2.011 -9.113 1.00 0.00 N ATOM 1572 CA ALA A 98 68.661 1.506 -8.740 1.00 0.00 C ATOM 1573 C ALA A 98 69.135 2.181 -7.466 1.00 0.00 C ATOM 1574 O ALA A 98 69.037 3.402 -7.335 1.00 0.00 O ATOM 1575 CB ALA A 98 69.663 1.737 -9.862 1.00 0.00 C ATOM 0 H ALA A 98 67.203 2.998 -8.899 1.00 0.00 H new ATOM 0 HA ALA A 98 68.583 0.433 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 98 70.638 1.352 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 98 69.328 1.220 -10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 98 69.741 2.805 -10.066 1.00 0.00 H new ATOM 1581 N LYS A 99 69.636 1.391 -6.529 1.00 0.00 N ATOM 1582 CA LYS A 99 70.113 1.933 -5.270 1.00 0.00 C ATOM 1583 C LYS A 99 71.543 2.427 -5.424 1.00 0.00 C ATOM 1584 O LYS A 99 72.502 1.690 -5.186 1.00 0.00 O ATOM 1585 CB LYS A 99 70.021 0.891 -4.155 1.00 0.00 C ATOM 1586 CG LYS A 99 70.412 1.434 -2.793 1.00 0.00 C ATOM 1587 CD LYS A 99 70.274 0.384 -1.712 1.00 0.00 C ATOM 1588 CE LYS A 99 70.696 0.931 -0.359 1.00 0.00 C ATOM 1589 NZ LYS A 99 70.523 -0.067 0.725 1.00 0.00 N ATOM 0 H LYS A 99 69.722 0.378 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 99 69.477 2.774 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 99 69.001 0.509 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 99 70.666 0.048 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 99 71.442 1.790 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 99 69.785 2.292 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 99 69.240 0.042 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 99 70.885 -0.483 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 99 71.740 1.240 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 99 70.110 1.821 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 70.823 0.348 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 69.522 -0.344 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.102 -0.906 0.520 1.00 0.00 H new ATOM 1603 N ALA A 100 71.668 3.664 -5.874 1.00 0.00 N ATOM 1604 CA ALA A 100 72.956 4.299 -6.051 1.00 0.00 C ATOM 1605 C ALA A 100 72.762 5.792 -6.218 1.00 0.00 C ATOM 1606 O ALA A 100 71.674 6.247 -6.585 1.00 0.00 O ATOM 1607 CB ALA A 100 73.683 3.722 -7.258 1.00 0.00 C ATOM 0 H ALA A 100 70.876 4.255 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 100 73.567 4.109 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 100 74.649 4.215 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.836 2.653 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.085 3.885 -8.155 1.00 0.00 H new ATOM 1613 N GLU A 101 73.799 6.553 -5.937 1.00 0.00 N ATOM 1614 CA GLU A 101 73.752 7.987 -6.133 1.00 0.00 C ATOM 1615 C GLU A 101 74.338 8.344 -7.492 1.00 0.00 C ATOM 1616 O GLU A 101 75.497 8.741 -7.602 1.00 0.00 O ATOM 1617 CB GLU A 101 74.493 8.704 -5.006 1.00 0.00 C ATOM 1618 CG GLU A 101 73.882 8.446 -3.640 1.00 0.00 C ATOM 1619 CD GLU A 101 74.613 9.158 -2.528 1.00 0.00 C ATOM 1620 OE1 GLU A 101 74.512 10.400 -2.448 1.00 0.00 O ATOM 1621 OE2 GLU A 101 75.287 8.483 -1.721 1.00 0.00 O ATOM 0 H GLU A 101 74.685 6.203 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 101 72.713 8.317 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 101 75.534 8.381 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 101 74.493 9.776 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 101 72.840 8.766 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 101 73.885 7.374 -3.442 1.00 0.00 H new ATOM 1628 N PHE A 102 73.533 8.150 -8.528 1.00 0.00 N ATOM 1629 CA PHE A 102 73.962 8.420 -9.893 1.00 0.00 C ATOM 1630 C PHE A 102 73.603 9.844 -10.297 1.00 0.00 C ATOM 1631 O PHE A 102 74.312 10.478 -11.078 1.00 0.00 O ATOM 1632 CB PHE A 102 73.344 7.404 -10.870 1.00 0.00 C ATOM 1633 CG PHE A 102 71.837 7.339 -10.839 1.00 0.00 C ATOM 1634 CD1 PHE A 102 71.185 6.496 -9.952 1.00 0.00 C ATOM 1635 CD2 PHE A 102 71.076 8.108 -11.705 1.00 0.00 C ATOM 1636 CE1 PHE A 102 69.805 6.429 -9.925 1.00 0.00 C ATOM 1637 CE2 PHE A 102 69.696 8.046 -11.681 1.00 0.00 C ATOM 1638 CZ PHE A 102 69.060 7.203 -10.791 1.00 0.00 C ATOM 0 H PHE A 102 72.576 7.805 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 102 75.046 8.316 -9.937 1.00 0.00 H new ATOM 0 HB2 PHE A 102 73.663 7.653 -11.882 1.00 0.00 H new ATOM 0 HB3 PHE A 102 73.742 6.415 -10.644 1.00 0.00 H new ATOM 0 HD1 PHE A 102 71.762 5.885 -9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 102 71.568 8.764 -12.408 1.00 0.00 H new ATOM 0 HE1 PHE A 102 69.310 5.771 -9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 102 69.115 8.656 -12.357 1.00 0.00 H new ATOM 0 HZ PHE A 102 67.981 7.150 -10.773 1.00 0.00 H new ATOM 1648 N ASP A 103 72.503 10.349 -9.751 1.00 0.00 N ATOM 1649 CA ASP A 103 72.084 11.714 -10.021 1.00 0.00 C ATOM 1650 C ASP A 103 72.962 12.688 -9.250 1.00 0.00 C ATOM 1651 O ASP A 103 72.714 12.988 -8.080 1.00 0.00 O ATOM 1652 CB ASP A 103 70.605 11.912 -9.669 1.00 0.00 C ATOM 1653 CG ASP A 103 70.166 13.363 -9.749 1.00 0.00 C ATOM 1654 OD1 ASP A 103 70.544 14.060 -10.713 1.00 0.00 O ATOM 1655 OD2 ASP A 103 69.452 13.816 -8.828 1.00 0.00 O ATOM 0 H ASP A 103 71.888 9.834 -9.121 1.00 0.00 H new ATOM 0 HA ASP A 103 72.199 11.910 -11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 103 69.993 11.315 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 103 70.424 11.538 -8.661 1.00 0.00 H new ATOM 1660 N ARG A 104 74.028 13.121 -9.901 1.00 0.00 N ATOM 1661 CA ARG A 104 74.970 14.059 -9.316 1.00 0.00 C ATOM 1662 C ARG A 104 75.527 14.977 -10.395 1.00 0.00 C ATOM 1663 O ARG A 104 76.440 15.763 -10.156 1.00 0.00 O ATOM 1664 CB ARG A 104 76.102 13.293 -8.630 1.00 0.00 C ATOM 1665 CG ARG A 104 76.752 12.255 -9.529 1.00 0.00 C ATOM 1666 CD ARG A 104 77.762 11.412 -8.776 1.00 0.00 C ATOM 1667 NE ARG A 104 78.278 10.325 -9.601 1.00 0.00 N ATOM 1668 CZ ARG A 104 78.996 9.308 -9.137 1.00 0.00 C ATOM 1669 NH1 ARG A 104 79.285 9.227 -7.841 1.00 0.00 N ATOM 1670 NH2 ARG A 104 79.418 8.369 -9.970 1.00 0.00 N ATOM 0 H ARG A 104 74.265 12.832 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 104 74.457 14.669 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 104 76.860 14.001 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 104 75.711 12.800 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 104 75.983 11.609 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 104 77.245 12.754 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 104 78.588 12.042 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 104 77.297 11.000 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 104 78.074 10.347 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 104 78.955 9.948 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 104 79.837 8.444 -7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 104 79.192 8.429 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 104 79.970 7.586 -9.619 1.00 0.00 H new ATOM 1684 N LEU A 105 74.947 14.880 -11.581 1.00 0.00 N ATOM 1685 CA LEU A 105 75.409 15.641 -12.726 1.00 0.00 C ATOM 1686 C LEU A 105 74.347 16.636 -13.180 1.00 0.00 C ATOM 1687 O LEU A 105 73.425 16.292 -13.921 1.00 0.00 O ATOM 1688 CB LEU A 105 75.818 14.699 -13.874 1.00 0.00 C ATOM 1689 CG LEU A 105 75.225 13.278 -13.832 1.00 0.00 C ATOM 1690 CD1 LEU A 105 73.730 13.285 -14.118 1.00 0.00 C ATOM 1691 CD2 LEU A 105 75.950 12.372 -14.815 1.00 0.00 C ATOM 0 H LEU A 105 74.149 14.275 -11.774 1.00 0.00 H new ATOM 0 HA LEU A 105 76.290 16.209 -12.428 1.00 0.00 H new ATOM 0 HB2 LEU A 105 75.529 15.163 -14.817 1.00 0.00 H new ATOM 0 HB3 LEU A 105 76.905 14.617 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 105 75.366 12.890 -12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 105 73.347 12.265 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 105 73.219 13.892 -13.371 1.00 0.00 H new ATOM 0 HD13 LEU A 105 73.551 13.703 -15.109 1.00 0.00 H new ATOM 0 HD21 LEU A 105 75.519 11.372 -14.773 1.00 0.00 H new ATOM 0 HD22 LEU A 105 75.844 12.771 -15.824 1.00 0.00 H new ATOM 0 HD23 LEU A 105 77.007 12.323 -14.553 1.00 0.00 H new ATOM 1703 N TRP A 106 74.469 17.866 -12.707 1.00 0.00 N ATOM 1704 CA TRP A 106 73.522 18.909 -13.063 1.00 0.00 C ATOM 1705 C TRP A 106 73.868 19.490 -14.427 1.00 0.00 C ATOM 1706 O TRP A 106 75.020 19.850 -14.682 1.00 0.00 O ATOM 1707 CB TRP A 106 73.523 20.021 -12.009 1.00 0.00 C ATOM 1708 CG TRP A 106 72.507 21.092 -12.276 1.00 0.00 C ATOM 1709 CD1 TRP A 106 71.198 21.084 -11.898 1.00 0.00 C ATOM 1710 CD2 TRP A 106 72.711 22.323 -12.986 1.00 0.00 C ATOM 1711 NE1 TRP A 106 70.573 22.226 -12.332 1.00 0.00 N ATOM 1712 CE2 TRP A 106 71.480 23.006 -12.998 1.00 0.00 C ATOM 1713 CE3 TRP A 106 73.812 22.913 -13.612 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 71.320 24.248 -13.609 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 73.654 24.145 -14.217 1.00 0.00 C ATOM 1716 CH2 TRP A 106 72.417 24.801 -14.212 1.00 0.00 C ATOM 0 H TRP A 106 75.213 18.166 -12.077 1.00 0.00 H new ATOM 0 HA TRP A 106 72.526 18.468 -13.105 1.00 0.00 H new ATOM 0 HB2 TRP A 106 73.331 19.584 -11.029 1.00 0.00 H new ATOM 0 HB3 TRP A 106 74.514 20.472 -11.968 1.00 0.00 H new ATOM 0 HD1 TRP A 106 70.721 20.293 -11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 106 69.591 22.457 -12.182 1.00 0.00 H new ATOM 0 HE3 TRP A 106 74.770 22.415 -13.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 70.366 24.755 -13.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 74.499 24.610 -14.702 1.00 0.00 H new ATOM 0 HH2 TRP A 106 72.327 25.763 -14.694 1.00 0.00 H new ATOM 1727 N LYS A 107 72.875 19.572 -15.300 1.00 0.00 N ATOM 1728 CA LYS A 107 73.066 20.164 -16.613 1.00 0.00 C ATOM 1729 C LYS A 107 71.734 20.632 -17.187 1.00 0.00 C ATOM 1730 O LYS A 107 70.920 19.825 -17.634 1.00 0.00 O ATOM 1731 CB LYS A 107 73.737 19.172 -17.570 1.00 0.00 C ATOM 1732 CG LYS A 107 73.996 19.740 -18.958 1.00 0.00 C ATOM 1733 CD LYS A 107 74.800 21.026 -18.893 1.00 0.00 C ATOM 1734 CE LYS A 107 75.011 21.617 -20.273 1.00 0.00 C ATOM 1735 NZ LYS A 107 75.638 22.959 -20.203 1.00 0.00 N ATOM 0 H LYS A 107 71.929 19.235 -15.122 1.00 0.00 H new ATOM 0 HA LYS A 107 73.722 21.027 -16.501 1.00 0.00 H new ATOM 0 HB2 LYS A 107 74.683 18.847 -17.138 1.00 0.00 H new ATOM 0 HB3 LYS A 107 73.108 18.287 -17.661 1.00 0.00 H new ATOM 0 HG2 LYS A 107 74.532 19.005 -19.559 1.00 0.00 H new ATOM 0 HG3 LYS A 107 73.046 19.929 -19.458 1.00 0.00 H new ATOM 0 HD2 LYS A 107 74.283 21.748 -18.261 1.00 0.00 H new ATOM 0 HD3 LYS A 107 75.766 20.830 -18.428 1.00 0.00 H new ATOM 0 HE2 LYS A 107 75.641 20.951 -20.862 1.00 0.00 H new ATOM 0 HE3 LYS A 107 74.053 21.689 -20.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 75.767 23.332 -21.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 75.024 23.601 -19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 76.563 22.886 -19.733 1.00 0.00 H new ATOM 1749 N LYS A 108 71.515 21.937 -17.130 1.00 0.00 N ATOM 1750 CA LYS A 108 70.324 22.549 -17.704 1.00 0.00 C ATOM 1751 C LYS A 108 70.680 23.904 -18.306 1.00 0.00 C ATOM 1752 O LYS A 108 70.557 24.923 -17.596 1.00 0.00 O ATOM 1753 CB LYS A 108 69.221 22.719 -16.650 1.00 0.00 C ATOM 1754 CG LYS A 108 68.654 21.410 -16.130 1.00 0.00 C ATOM 1755 CD LYS A 108 67.469 21.643 -15.212 1.00 0.00 C ATOM 1756 CE LYS A 108 66.914 20.333 -14.672 1.00 0.00 C ATOM 1757 NZ LYS A 108 67.894 19.624 -13.804 1.00 0.00 N ATOM 1758 OXT LYS A 108 71.110 23.942 -19.475 1.00 0.00 O ATOM 0 H LYS A 108 72.153 22.599 -16.688 1.00 0.00 H new ATOM 0 HA LYS A 108 69.945 21.889 -18.485 1.00 0.00 H new ATOM 0 HB2 LYS A 108 69.620 23.289 -15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 108 68.411 23.309 -17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 108 68.348 20.786 -16.970 1.00 0.00 H new ATOM 0 HG3 LYS A 108 69.430 20.864 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 108 67.771 22.281 -14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 108 66.687 22.175 -15.754 1.00 0.00 H new ATOM 0 HE2 LYS A 108 66.005 20.532 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 108 66.635 19.688 -15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 67.419 18.841 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 68.667 19.247 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 68.282 20.288 -13.104 1.00 0.00 H new TER 1772 LYS A 108