USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 CYS SG : rot -150:sc= -2.66 USER MOD Set 1.3: A 74 THR OG1 : rot -45:sc= -0.778 USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= -3.21! USER MOD Set 2.2: A 42 SER OG : rot 33:sc= 1.32 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.399 K(o=-1.3,f=-4.8!) USER MOD Set 3.2: A 37 HIS :FLIP no HE2:sc= -0.869 F(o=-2.4!,f=-1.3) USER MOD Single : A 3 THR OG1 : rot 131:sc= 0.304 USER MOD Single : A 8 HIS : no HE2:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ -117:sc= -0.0361 (180deg=-0.53) USER MOD Single : A 15 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.125) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.516 USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= -0.0702 (180deg=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ 131:sc= -0.0642 (180deg=-0.771) USER MOD Single : A 78 HIS :FLIP no HE2:sc= -1.98! F(o=-4,f=-2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 83 TYR OH : rot 151:sc= -0.134 USER MOD Single : A 84 HIS : no HD1:sc= -9.8! C(o=-9.8!,f=-9.5!) USER MOD Single : A 87 LYS NZ :NH3+ -125:sc= -1.57 (180deg=-1.89) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.698 -3.041 1.200 1.00 0.00 N ATOM 36 CA THR A 3 -15.414 -2.924 1.950 1.00 0.00 C ATOM 37 C THR A 3 -14.309 -3.709 1.235 1.00 0.00 C ATOM 38 O THR A 3 -14.575 -4.604 0.457 1.00 0.00 O ATOM 39 CB THR A 3 -15.695 -3.542 3.321 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.891 -4.941 3.172 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.950 -2.912 3.930 1.00 0.00 C ATOM 0 HA THR A 3 -15.078 -1.890 2.026 1.00 0.00 H new ATOM 0 HB THR A 3 -14.848 -3.357 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.345 -5.420 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.144 -3.357 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.799 -1.839 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.802 -3.091 3.274 1.00 0.00 H new ATOM 49 N ALA A 4 -13.075 -3.429 1.551 1.00 0.00 N ATOM 50 CA ALA A 4 -11.954 -4.212 0.958 1.00 0.00 C ATOM 51 C ALA A 4 -10.809 -4.326 1.968 1.00 0.00 C ATOM 52 O ALA A 4 -10.749 -3.589 2.933 1.00 0.00 O ATOM 53 CB ALA A 4 -11.513 -3.413 -0.269 1.00 0.00 C ATOM 0 H ALA A 4 -12.794 -2.690 2.196 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.250 -5.227 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.688 -3.928 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.349 -3.321 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.188 -2.420 0.041 1.00 0.00 H new ATOM 59 N ALA A 5 -9.880 -5.216 1.737 1.00 0.00 N ATOM 60 CA ALA A 5 -8.719 -5.334 2.673 1.00 0.00 C ATOM 61 C ALA A 5 -7.514 -4.593 2.093 1.00 0.00 C ATOM 62 O ALA A 5 -7.287 -4.613 0.902 1.00 0.00 O ATOM 63 CB ALA A 5 -8.437 -6.832 2.775 1.00 0.00 C ATOM 0 H ALA A 5 -9.873 -5.862 0.948 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.924 -4.899 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.595 -6.999 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.318 -7.342 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.196 -7.225 1.787 1.00 0.00 H new ATOM 69 N ALA A 6 -6.835 -3.809 2.889 1.00 0.00 N ATOM 70 CA ALA A 6 -5.773 -2.936 2.308 1.00 0.00 C ATOM 71 C ALA A 6 -4.494 -2.951 3.157 1.00 0.00 C ATOM 72 O ALA A 6 -4.491 -2.532 4.298 1.00 0.00 O ATOM 73 CB ALA A 6 -6.387 -1.535 2.299 1.00 0.00 C ATOM 0 H ALA A 6 -6.966 -3.735 3.898 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.476 -3.276 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.670 -0.826 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.289 -1.537 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.640 -1.242 3.318 1.00 0.00 H new ATOM 79 N LEU A 7 -3.376 -3.213 2.528 1.00 0.00 N ATOM 80 CA LEU A 7 -2.061 -3.000 3.206 1.00 0.00 C ATOM 81 C LEU A 7 -1.360 -1.789 2.578 1.00 0.00 C ATOM 82 O LEU A 7 -1.431 -1.583 1.383 1.00 0.00 O ATOM 83 CB LEU A 7 -1.256 -4.274 2.937 1.00 0.00 C ATOM 84 CG LEU A 7 -2.005 -5.490 3.487 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.158 -6.747 3.276 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.266 -5.298 4.981 1.00 0.00 C ATOM 0 H LEU A 7 -3.317 -3.566 1.573 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.167 -2.810 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.092 -4.391 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.274 -4.199 3.404 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.955 -5.598 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.690 -7.614 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.972 -6.886 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.208 -6.638 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.799 -6.165 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.317 -5.190 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.868 -4.402 5.133 1.00 0.00 H new ATOM 98 N HIS A 8 -0.703 -0.974 3.359 1.00 0.00 N ATOM 99 CA HIS A 8 -0.033 0.227 2.767 1.00 0.00 C ATOM 100 C HIS A 8 1.381 0.402 3.329 1.00 0.00 C ATOM 101 O HIS A 8 1.561 0.628 4.509 1.00 0.00 O ATOM 102 CB HIS A 8 -0.908 1.420 3.164 1.00 0.00 C ATOM 103 CG HIS A 8 -2.264 1.290 2.528 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.735 2.205 1.600 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.263 0.361 2.680 1.00 0.00 C ATOM 106 CE1 HIS A 8 -3.968 1.812 1.233 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.339 0.693 1.861 1.00 0.00 N ATOM 0 H HIS A 8 -0.600 -1.082 4.368 1.00 0.00 H new ATOM 0 HA HIS A 8 0.068 0.131 1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.008 1.465 4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.436 2.350 2.848 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.237 3.027 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.221 -0.497 3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.583 2.337 0.518 1.00 0.00 H new ATOM 115 N ILE A 9 2.364 0.491 2.470 1.00 0.00 N ATOM 116 CA ILE A 9 3.724 0.876 2.947 1.00 0.00 C ATOM 117 C ILE A 9 4.081 2.276 2.450 1.00 0.00 C ATOM 118 O ILE A 9 3.982 2.572 1.275 1.00 0.00 O ATOM 119 CB ILE A 9 4.679 -0.159 2.357 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.288 -1.549 2.855 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.109 0.163 2.794 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.101 -2.609 2.110 1.00 0.00 C ATOM 0 H ILE A 9 2.285 0.315 1.468 1.00 0.00 H new ATOM 0 HA ILE A 9 3.779 0.897 4.035 1.00 0.00 H new ATOM 0 HB ILE A 9 4.621 -0.135 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.468 -1.626 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.223 -1.716 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.793 -0.575 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.383 1.156 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.171 0.137 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.820 -3.600 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.899 -2.538 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.164 -2.446 2.290 1.00 0.00 H new ATOM 134 N LEU A 10 4.524 3.127 3.330 1.00 0.00 N ATOM 135 CA LEU A 10 4.923 4.497 2.903 1.00 0.00 C ATOM 136 C LEU A 10 6.451 4.615 2.886 1.00 0.00 C ATOM 137 O LEU A 10 7.106 4.469 3.900 1.00 0.00 O ATOM 138 CB LEU A 10 4.323 5.429 3.958 1.00 0.00 C ATOM 139 CG LEU A 10 4.187 6.840 3.381 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.860 7.821 4.509 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.498 7.250 2.710 1.00 0.00 C ATOM 0 H LEU A 10 4.627 2.935 4.326 1.00 0.00 H new ATOM 0 HA LEU A 10 4.573 4.740 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.347 5.058 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.957 5.447 4.844 1.00 0.00 H new ATOM 0 HG LEU A 10 3.386 6.854 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.763 8.827 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.923 7.530 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.661 7.806 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.398 8.255 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.303 7.236 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.729 6.551 1.906 1.00 0.00 H new ATOM 153 N VAL A 11 7.020 4.910 1.750 1.00 0.00 N ATOM 154 CA VAL A 11 8.502 5.075 1.676 1.00 0.00 C ATOM 155 C VAL A 11 8.846 6.555 1.487 1.00 0.00 C ATOM 156 O VAL A 11 8.273 7.235 0.658 1.00 0.00 O ATOM 157 CB VAL A 11 8.963 4.265 0.455 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.429 3.868 0.639 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.118 2.995 0.303 1.00 0.00 C ATOM 0 H VAL A 11 6.524 5.044 0.869 1.00 0.00 H new ATOM 0 HA VAL A 11 8.992 4.730 2.586 1.00 0.00 H new ATOM 0 HB VAL A 11 8.846 4.879 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.761 3.293 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.040 4.766 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.532 3.262 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.458 2.433 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.223 2.379 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.071 3.268 0.172 1.00 0.00 H new ATOM 169 N LYS A 12 9.732 7.072 2.290 1.00 0.00 N ATOM 170 CA LYS A 12 10.062 8.523 2.204 1.00 0.00 C ATOM 171 C LYS A 12 10.795 8.832 0.892 1.00 0.00 C ATOM 172 O LYS A 12 10.589 9.866 0.288 1.00 0.00 O ATOM 173 CB LYS A 12 10.960 8.791 3.412 1.00 0.00 C ATOM 174 CG LYS A 12 10.154 8.558 4.692 1.00 0.00 C ATOM 175 CD LYS A 12 11.036 8.822 5.914 1.00 0.00 C ATOM 176 CE LYS A 12 10.221 8.586 7.189 1.00 0.00 C ATOM 177 NZ LYS A 12 10.077 7.106 7.283 1.00 0.00 N ATOM 0 H LYS A 12 10.243 6.553 3.004 1.00 0.00 H new ATOM 0 HA LYS A 12 9.172 9.152 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.829 8.133 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.334 9.814 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.285 9.216 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.780 7.534 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.905 8.165 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.410 9.846 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.730 8.990 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.248 9.075 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.071 6.850 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.601 6.656 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.458 6.777 8.193 1.00 0.00 H new ATOM 191 N GLU A 13 11.679 7.967 0.470 1.00 0.00 N ATOM 192 CA GLU A 13 12.454 8.243 -0.776 1.00 0.00 C ATOM 193 C GLU A 13 12.219 7.143 -1.818 1.00 0.00 C ATOM 194 O GLU A 13 12.096 5.980 -1.491 1.00 0.00 O ATOM 195 CB GLU A 13 13.917 8.259 -0.339 1.00 0.00 C ATOM 196 CG GLU A 13 14.265 6.923 0.319 1.00 0.00 C ATOM 197 CD GLU A 13 15.760 6.888 0.638 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.542 7.163 -0.256 1.00 0.00 O ATOM 199 OE2 GLU A 13 16.098 6.584 1.770 1.00 0.00 O ATOM 0 H GLU A 13 11.898 7.084 0.932 1.00 0.00 H new ATOM 0 HA GLU A 13 12.153 9.182 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.563 8.432 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.090 9.077 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.684 6.792 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.004 6.099 -0.345 1.00 0.00 H new ATOM 206 N GLU A 14 12.123 7.514 -3.066 1.00 0.00 N ATOM 207 CA GLU A 14 11.859 6.504 -4.135 1.00 0.00 C ATOM 208 C GLU A 14 12.970 5.449 -4.176 1.00 0.00 C ATOM 209 O GLU A 14 12.722 4.291 -4.448 1.00 0.00 O ATOM 210 CB GLU A 14 11.844 7.308 -5.435 1.00 0.00 C ATOM 211 CG GLU A 14 11.365 6.416 -6.583 1.00 0.00 C ATOM 212 CD GLU A 14 11.318 7.232 -7.876 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.463 8.441 -7.796 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.137 6.636 -8.925 1.00 0.00 O ATOM 0 H GLU A 14 12.216 8.475 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 14 10.926 5.967 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.187 8.172 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.842 7.690 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.036 5.565 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.377 6.014 -6.358 1.00 0.00 H new ATOM 221 N LYS A 15 14.200 5.854 -4.011 1.00 0.00 N ATOM 222 CA LYS A 15 15.326 4.883 -4.157 1.00 0.00 C ATOM 223 C LYS A 15 15.131 3.695 -3.215 1.00 0.00 C ATOM 224 O LYS A 15 15.319 2.556 -3.593 1.00 0.00 O ATOM 225 CB LYS A 15 16.581 5.666 -3.778 1.00 0.00 C ATOM 226 CG LYS A 15 16.881 6.705 -4.860 1.00 0.00 C ATOM 227 CD LYS A 15 18.139 7.489 -4.479 1.00 0.00 C ATOM 228 CE LYS A 15 18.438 8.528 -5.561 1.00 0.00 C ATOM 229 NZ LYS A 15 19.123 7.765 -6.642 1.00 0.00 N ATOM 0 H LYS A 15 14.475 6.809 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 15 15.388 4.478 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.439 6.158 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.426 4.987 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.024 6.213 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.036 7.384 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.997 7.981 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.984 6.810 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.523 8.995 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.073 9.327 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.132 8.018 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.025 6.745 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.691 7.999 -7.559 1.00 0.00 H new ATOM 243 N LEU A 16 14.712 3.945 -2.007 1.00 0.00 N ATOM 244 CA LEU A 16 14.454 2.820 -1.067 1.00 0.00 C ATOM 245 C LEU A 16 13.242 2.019 -1.547 1.00 0.00 C ATOM 246 O LEU A 16 13.238 0.805 -1.528 1.00 0.00 O ATOM 247 CB LEU A 16 14.165 3.484 0.277 1.00 0.00 C ATOM 248 CG LEU A 16 13.980 2.408 1.347 1.00 0.00 C ATOM 249 CD1 LEU A 16 15.239 2.336 2.216 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.773 2.756 2.219 1.00 0.00 C ATOM 0 H LEU A 16 14.537 4.877 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 16 15.293 2.127 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.985 4.147 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.268 4.099 0.206 1.00 0.00 H new ATOM 0 HG LEU A 16 13.812 1.443 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.110 1.569 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.098 2.086 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.406 3.301 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.642 1.988 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.937 3.721 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.878 2.807 1.598 1.00 0.00 H new ATOM 262 N ALA A 17 12.233 2.696 -2.027 1.00 0.00 N ATOM 263 CA ALA A 17 11.043 1.980 -2.566 1.00 0.00 C ATOM 264 C ALA A 17 11.457 1.071 -3.727 1.00 0.00 C ATOM 265 O ALA A 17 11.094 -0.087 -3.778 1.00 0.00 O ATOM 266 CB ALA A 17 10.109 3.087 -3.057 1.00 0.00 C ATOM 0 H ALA A 17 12.183 3.714 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 17 10.566 1.344 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.204 2.642 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.845 3.737 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.611 3.672 -3.828 1.00 0.00 H new ATOM 272 N LEU A 18 12.310 1.551 -4.593 1.00 0.00 N ATOM 273 CA LEU A 18 12.853 0.677 -5.664 1.00 0.00 C ATOM 274 C LEU A 18 13.594 -0.503 -5.029 1.00 0.00 C ATOM 275 O LEU A 18 13.393 -1.644 -5.395 1.00 0.00 O ATOM 276 CB LEU A 18 13.808 1.578 -6.457 1.00 0.00 C ATOM 277 CG LEU A 18 14.801 0.718 -7.227 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.049 -0.194 -8.200 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.766 1.615 -8.004 1.00 0.00 C ATOM 0 H LEU A 18 12.652 2.512 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 18 12.082 0.255 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.243 2.205 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.339 2.247 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 18 15.366 0.106 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.763 -0.808 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.369 -0.839 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.478 0.414 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 18 16.475 0.996 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.204 2.233 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 18 16.307 2.256 -7.308 1.00 0.00 H new ATOM 291 N ASP A 19 14.364 -0.245 -4.009 1.00 0.00 N ATOM 292 CA ASP A 19 15.015 -1.363 -3.271 1.00 0.00 C ATOM 293 C ASP A 19 13.941 -2.289 -2.703 1.00 0.00 C ATOM 294 O ASP A 19 14.038 -3.498 -2.784 1.00 0.00 O ATOM 295 CB ASP A 19 15.789 -0.695 -2.137 1.00 0.00 C ATOM 296 CG ASP A 19 16.553 -1.760 -1.348 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.187 -2.920 -1.449 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.492 -1.399 -0.658 1.00 0.00 O ATOM 0 H ASP A 19 14.570 0.689 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 19 15.666 -1.962 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.483 0.042 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.103 -0.161 -1.479 1.00 0.00 H new ATOM 303 N LEU A 20 12.875 -1.722 -2.206 1.00 0.00 N ATOM 304 CA LEU A 20 11.742 -2.548 -1.721 1.00 0.00 C ATOM 305 C LEU A 20 11.162 -3.352 -2.886 1.00 0.00 C ATOM 306 O LEU A 20 10.862 -4.522 -2.763 1.00 0.00 O ATOM 307 CB LEU A 20 10.742 -1.508 -1.174 1.00 0.00 C ATOM 308 CG LEU A 20 9.290 -1.923 -1.457 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.927 -3.139 -0.604 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.354 -0.761 -1.121 1.00 0.00 C ATOM 0 H LEU A 20 12.743 -0.715 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 20 12.015 -3.279 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.886 -1.393 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.940 -0.537 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 20 9.185 -2.180 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.897 -3.431 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.593 -3.966 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.032 -2.887 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.323 -1.054 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.459 -0.502 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.611 0.103 -1.734 1.00 0.00 H new ATOM 322 N LEU A 21 11.007 -2.725 -4.015 1.00 0.00 N ATOM 323 CA LEU A 21 10.452 -3.448 -5.190 1.00 0.00 C ATOM 324 C LEU A 21 11.356 -4.628 -5.545 1.00 0.00 C ATOM 325 O LEU A 21 10.922 -5.762 -5.596 1.00 0.00 O ATOM 326 CB LEU A 21 10.414 -2.414 -6.314 1.00 0.00 C ATOM 327 CG LEU A 21 8.984 -1.879 -6.466 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.433 -1.451 -5.099 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.988 -0.676 -7.412 1.00 0.00 C ATOM 0 H LEU A 21 11.240 -1.745 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 21 9.461 -3.860 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.099 -1.595 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.747 -2.865 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 21 8.351 -2.667 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.418 -1.073 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.424 -2.308 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.065 -0.668 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.972 -0.295 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.627 0.106 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.367 -0.981 -8.387 1.00 0.00 H new ATOM 341 N GLU A 22 12.632 -4.386 -5.655 1.00 0.00 N ATOM 342 CA GLU A 22 13.589 -5.511 -5.850 1.00 0.00 C ATOM 343 C GLU A 22 13.523 -6.463 -4.653 1.00 0.00 C ATOM 344 O GLU A 22 13.634 -7.664 -4.792 1.00 0.00 O ATOM 345 CB GLU A 22 14.966 -4.850 -5.928 1.00 0.00 C ATOM 346 CG GLU A 22 16.038 -5.923 -6.129 1.00 0.00 C ATOM 347 CD GLU A 22 15.773 -6.668 -7.438 1.00 0.00 C ATOM 348 OE1 GLU A 22 14.926 -6.216 -8.193 1.00 0.00 O ATOM 349 OE2 GLU A 22 16.419 -7.677 -7.666 1.00 0.00 O ATOM 0 H GLU A 22 13.054 -3.458 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 22 13.367 -6.096 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.992 -4.136 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.164 -4.290 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.027 -5.465 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.030 -6.622 -5.292 1.00 0.00 H new ATOM 356 N GLN A 23 13.409 -5.922 -3.470 1.00 0.00 N ATOM 357 CA GLN A 23 13.413 -6.780 -2.251 1.00 0.00 C ATOM 358 C GLN A 23 12.237 -7.759 -2.279 1.00 0.00 C ATOM 359 O GLN A 23 12.390 -8.930 -1.990 1.00 0.00 O ATOM 360 CB GLN A 23 13.285 -5.802 -1.082 1.00 0.00 C ATOM 361 CG GLN A 23 13.312 -6.576 0.237 1.00 0.00 C ATOM 362 CD GLN A 23 13.476 -5.595 1.400 1.00 0.00 C ATOM 363 OE1 GLN A 23 12.746 -4.630 1.506 1.00 0.00 O ATOM 364 NE2 GLN A 23 14.418 -5.802 2.281 1.00 0.00 N ATOM 0 H GLN A 23 13.313 -4.922 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 23 14.315 -7.387 -2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.100 -5.079 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.356 -5.238 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.391 -7.146 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.133 -7.293 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.031 -6.613 2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.541 -5.153 3.058 1.00 0.00 H new ATOM 373 N ILE A 24 11.079 -7.312 -2.685 1.00 0.00 N ATOM 374 CA ILE A 24 9.925 -8.249 -2.796 1.00 0.00 C ATOM 375 C ILE A 24 10.170 -9.262 -3.917 1.00 0.00 C ATOM 376 O ILE A 24 9.822 -10.419 -3.808 1.00 0.00 O ATOM 377 CB ILE A 24 8.718 -7.373 -3.129 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.304 -6.579 -1.890 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.553 -8.257 -3.580 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.553 -5.318 -2.321 1.00 0.00 C ATOM 0 H ILE A 24 10.883 -6.345 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 24 9.774 -8.816 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 24 8.983 -6.683 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.671 -7.191 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.184 -6.310 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.692 -7.632 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.846 -8.822 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.289 -8.948 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.257 -4.751 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.201 -4.704 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.664 -5.599 -2.886 1.00 0.00 H new ATOM 392 N LYS A 25 10.722 -8.826 -5.013 1.00 0.00 N ATOM 393 CA LYS A 25 10.932 -9.763 -6.149 1.00 0.00 C ATOM 394 C LYS A 25 11.894 -10.878 -5.736 1.00 0.00 C ATOM 395 O LYS A 25 11.574 -12.048 -5.807 1.00 0.00 O ATOM 396 CB LYS A 25 11.547 -8.908 -7.257 1.00 0.00 C ATOM 397 CG LYS A 25 10.508 -7.908 -7.769 1.00 0.00 C ATOM 398 CD LYS A 25 11.125 -7.052 -8.878 1.00 0.00 C ATOM 399 CE LYS A 25 10.085 -6.052 -9.388 1.00 0.00 C ATOM 400 NZ LYS A 25 9.566 -6.649 -10.651 1.00 0.00 N ATOM 0 H LYS A 25 11.035 -7.868 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 25 10.007 -10.241 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.421 -8.378 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.888 -9.544 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.634 -8.438 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.166 -7.272 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.999 -6.523 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.466 -7.687 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.285 -5.908 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.532 -5.074 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.847 -6.021 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.348 -6.768 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.140 -7.576 -10.448 1.00 0.00 H new ATOM 414 N ASN A 26 13.049 -10.522 -5.245 1.00 0.00 N ATOM 415 CA ASN A 26 14.003 -11.558 -4.758 1.00 0.00 C ATOM 416 C ASN A 26 13.373 -12.355 -3.616 1.00 0.00 C ATOM 417 O ASN A 26 13.456 -13.566 -3.564 1.00 0.00 O ATOM 418 CB ASN A 26 15.213 -10.780 -4.241 1.00 0.00 C ATOM 419 CG ASN A 26 16.432 -11.704 -4.198 1.00 0.00 C ATOM 420 OD1 ASN A 26 17.010 -11.917 -3.151 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.849 -12.268 -5.299 1.00 0.00 N ATOM 0 H ASN A 26 13.373 -9.559 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 26 14.273 -12.265 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.413 -9.926 -4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.007 -10.385 -3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.660 -12.887 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.364 -12.090 -6.179 1.00 0.00 H new ATOM 428 N GLY A 27 12.856 -11.664 -2.641 1.00 0.00 N ATOM 429 CA GLY A 27 12.349 -12.351 -1.424 1.00 0.00 C ATOM 430 C GLY A 27 10.818 -12.355 -1.424 1.00 0.00 C ATOM 431 O GLY A 27 10.197 -13.382 -1.239 1.00 0.00 O ATOM 0 H GLY A 27 12.763 -10.648 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.723 -13.374 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.719 -11.847 -0.531 1.00 0.00 H new ATOM 435 N ALA A 28 10.217 -11.194 -1.547 1.00 0.00 N ATOM 436 CA ALA A 28 8.722 -11.078 -1.472 1.00 0.00 C ATOM 437 C ALA A 28 8.274 -11.096 -0.022 1.00 0.00 C ATOM 438 O ALA A 28 9.094 -11.258 0.853 1.00 0.00 O ATOM 439 CB ALA A 28 8.145 -12.268 -2.247 1.00 0.00 C ATOM 0 H ALA A 28 10.704 -10.311 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 28 8.371 -10.141 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.056 -12.226 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.484 -12.227 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.484 -13.198 -1.791 1.00 0.00 H new ATOM 445 N ASP A 29 6.985 -10.839 0.190 1.00 0.00 N ATOM 446 CA ASP A 29 6.340 -10.705 1.559 1.00 0.00 C ATOM 447 C ASP A 29 5.844 -9.271 1.755 1.00 0.00 C ATOM 448 O ASP A 29 6.469 -8.471 2.424 1.00 0.00 O ATOM 449 CB ASP A 29 7.380 -11.018 2.631 1.00 0.00 C ATOM 450 CG ASP A 29 7.726 -12.510 2.599 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.935 -13.270 2.065 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.776 -12.865 3.110 1.00 0.00 O ATOM 0 H ASP A 29 6.322 -10.711 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 29 5.501 -11.396 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.278 -10.423 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.996 -10.745 3.614 1.00 0.00 H new ATOM 457 N PHE A 30 4.728 -8.938 1.170 1.00 0.00 N ATOM 458 CA PHE A 30 4.190 -7.552 1.308 1.00 0.00 C ATOM 459 C PHE A 30 3.920 -7.217 2.781 1.00 0.00 C ATOM 460 O PHE A 30 4.272 -6.156 3.260 1.00 0.00 O ATOM 461 CB PHE A 30 2.882 -7.557 0.510 1.00 0.00 C ATOM 462 CG PHE A 30 3.160 -7.166 -0.923 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.382 -5.820 -1.248 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.200 -8.145 -1.928 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.641 -5.452 -2.576 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.458 -7.776 -3.256 1.00 0.00 C ATOM 467 CZ PHE A 30 3.679 -6.431 -3.580 1.00 0.00 C ATOM 0 H PHE A 30 4.162 -9.566 0.600 1.00 0.00 H new ATOM 0 HA PHE A 30 4.893 -6.803 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.427 -8.547 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.170 -6.862 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.353 -5.066 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.032 -9.182 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.811 -4.415 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.486 -8.529 -4.030 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.879 -6.148 -4.603 1.00 0.00 H new ATOM 477 N GLY A 31 3.226 -8.074 3.479 1.00 0.00 N ATOM 478 CA GLY A 31 2.847 -7.755 4.887 1.00 0.00 C ATOM 479 C GLY A 31 4.101 -7.625 5.756 1.00 0.00 C ATOM 480 O GLY A 31 4.233 -6.702 6.540 1.00 0.00 O ATOM 0 H GLY A 31 2.905 -8.980 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.278 -6.826 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.201 -8.538 5.284 1.00 0.00 H new ATOM 484 N LYS A 32 4.984 -8.584 5.692 1.00 0.00 N ATOM 485 CA LYS A 32 6.171 -8.556 6.595 1.00 0.00 C ATOM 486 C LYS A 32 7.053 -7.350 6.271 1.00 0.00 C ATOM 487 O LYS A 32 7.589 -6.708 7.153 1.00 0.00 O ATOM 488 CB LYS A 32 6.922 -9.854 6.298 1.00 0.00 C ATOM 489 CG LYS A 32 6.065 -11.051 6.717 1.00 0.00 C ATOM 490 CD LYS A 32 6.823 -12.346 6.417 1.00 0.00 C ATOM 491 CE LYS A 32 5.969 -13.545 6.835 1.00 0.00 C ATOM 492 NZ LYS A 32 6.882 -14.719 6.735 1.00 0.00 N ATOM 0 H LYS A 32 4.936 -9.381 5.058 1.00 0.00 H new ATOM 0 HA LYS A 32 5.888 -8.474 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.156 -9.916 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.871 -9.868 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.831 -10.991 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.116 -11.039 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.057 -12.405 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.772 -12.357 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.589 -13.425 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.104 -13.661 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.369 -15.582 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.222 -14.812 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.693 -14.584 7.372 1.00 0.00 H new ATOM 506 N LEU A 33 7.218 -7.040 5.014 1.00 0.00 N ATOM 507 CA LEU A 33 8.080 -5.888 4.644 1.00 0.00 C ATOM 508 C LEU A 33 7.463 -4.584 5.153 1.00 0.00 C ATOM 509 O LEU A 33 8.156 -3.707 5.627 1.00 0.00 O ATOM 510 CB LEU A 33 8.125 -5.902 3.119 1.00 0.00 C ATOM 511 CG LEU A 33 9.064 -4.798 2.640 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.768 -5.245 1.356 1.00 0.00 C ATOM 513 CD2 LEU A 33 8.261 -3.525 2.370 1.00 0.00 C ATOM 0 H LEU A 33 6.793 -7.535 4.230 1.00 0.00 H new ATOM 0 HA LEU A 33 9.076 -5.959 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.471 -6.872 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.126 -5.750 2.711 1.00 0.00 H new ATOM 0 HG LEU A 33 9.810 -4.598 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.438 -4.456 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.343 -6.150 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.025 -5.448 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.932 -2.737 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.513 -3.723 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.765 -3.206 3.287 1.00 0.00 H new ATOM 525 N ALA A 34 6.169 -4.446 5.059 1.00 0.00 N ATOM 526 CA ALA A 34 5.524 -3.192 5.540 1.00 0.00 C ATOM 527 C ALA A 34 5.806 -2.992 7.028 1.00 0.00 C ATOM 528 O ALA A 34 6.209 -1.927 7.455 1.00 0.00 O ATOM 529 CB ALA A 34 4.027 -3.407 5.313 1.00 0.00 C ATOM 0 H ALA A 34 5.533 -5.143 4.672 1.00 0.00 H new ATOM 0 HA ALA A 34 5.898 -2.310 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.479 -2.525 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.840 -3.575 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.694 -4.275 5.882 1.00 0.00 H new ATOM 535 N LYS A 35 5.572 -3.998 7.824 1.00 0.00 N ATOM 536 CA LYS A 35 5.792 -3.856 9.291 1.00 0.00 C ATOM 537 C LYS A 35 7.256 -3.508 9.589 1.00 0.00 C ATOM 538 O LYS A 35 7.545 -2.640 10.388 1.00 0.00 O ATOM 539 CB LYS A 35 5.439 -5.228 9.866 1.00 0.00 C ATOM 540 CG LYS A 35 5.470 -5.171 11.395 1.00 0.00 C ATOM 541 CD LYS A 35 5.115 -6.548 11.959 1.00 0.00 C ATOM 542 CE LYS A 35 5.104 -6.486 13.488 1.00 0.00 C ATOM 543 NZ LYS A 35 5.964 -7.622 13.922 1.00 0.00 N ATOM 0 H LYS A 35 5.238 -4.913 7.522 1.00 0.00 H new ATOM 0 HA LYS A 35 5.191 -3.056 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.450 -5.533 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.145 -5.976 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.459 -4.868 11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.764 -4.424 11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.139 -6.863 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.839 -7.289 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.495 -5.534 13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.092 -6.584 13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.007 -7.648 14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.563 -8.515 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.923 -7.498 13.539 1.00 0.00 H new ATOM 557 N LYS A 36 8.176 -4.247 9.032 1.00 0.00 N ATOM 558 CA LYS A 36 9.613 -4.033 9.374 1.00 0.00 C ATOM 559 C LYS A 36 10.100 -2.660 8.891 1.00 0.00 C ATOM 560 O LYS A 36 10.857 -1.993 9.568 1.00 0.00 O ATOM 561 CB LYS A 36 10.356 -5.154 8.646 1.00 0.00 C ATOM 562 CG LYS A 36 11.843 -5.107 9.007 1.00 0.00 C ATOM 563 CD LYS A 36 12.578 -6.245 8.292 1.00 0.00 C ATOM 564 CE LYS A 36 14.075 -6.166 8.606 1.00 0.00 C ATOM 565 NZ LYS A 36 14.683 -7.348 7.924 1.00 0.00 N ATOM 0 H LYS A 36 7.996 -4.989 8.356 1.00 0.00 H new ATOM 0 HA LYS A 36 9.782 -4.052 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.935 -6.121 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.230 -5.047 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.268 -4.146 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.969 -5.199 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.179 -7.207 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.418 -6.176 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.506 -5.235 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.254 -6.197 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.709 -7.358 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.260 -8.221 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.504 -7.289 6.901 1.00 0.00 H new ATOM 579 N HIS A 37 9.807 -2.307 7.667 1.00 0.00 N ATOM 580 CA HIS A 37 10.406 -1.066 7.088 1.00 0.00 C ATOM 581 C HIS A 37 9.653 0.192 7.542 1.00 0.00 C ATOM 582 O HIS A 37 10.255 1.184 7.900 1.00 0.00 O ATOM 583 CB HIS A 37 10.283 -1.242 5.575 1.00 0.00 C ATOM 584 CG HIS A 37 11.264 -2.281 5.109 1.00 0.00 C ATOM 585 ND1 HIS A 37 11.220 -3.653 5.118 1.00 0.00 N flip ATOM 586 CD2 HIS A 37 12.484 -1.945 4.544 1.00 0.00 C flip ATOM 587 CE1 HIS A 37 12.393 -4.162 4.567 1.00 0.00 C flip ATOM 588 NE2 HIS A 37 13.120 -3.090 4.239 1.00 0.00 N flip ATOM 0 H HIS A 37 9.182 -2.820 7.045 1.00 0.00 H new ATOM 0 HA HIS A 37 11.438 -0.932 7.414 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.268 -1.542 5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.474 -0.294 5.071 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.446 -4.214 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.857 -0.945 4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.658 -5.200 4.433 1.00 0.00 H new ATOM 596 N SER A 38 8.352 0.204 7.419 1.00 0.00 N ATOM 597 CA SER A 38 7.593 1.454 7.719 1.00 0.00 C ATOM 598 C SER A 38 7.804 1.881 9.173 1.00 0.00 C ATOM 599 O SER A 38 7.940 3.056 9.456 1.00 0.00 O ATOM 600 CB SER A 38 6.129 1.105 7.452 1.00 0.00 C ATOM 601 OG SER A 38 5.931 0.938 6.056 1.00 0.00 O ATOM 0 H SER A 38 7.785 -0.592 7.126 1.00 0.00 H new ATOM 0 HA SER A 38 7.925 2.292 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.859 0.191 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.480 1.895 7.831 1.00 0.00 H new ATOM 0 HG SER A 38 4.993 0.712 5.883 1.00 0.00 H new ATOM 607 N ILE A 39 7.826 0.938 10.086 1.00 0.00 N ATOM 608 CA ILE A 39 8.013 1.264 11.536 1.00 0.00 C ATOM 609 C ILE A 39 7.398 2.625 11.876 1.00 0.00 C ATOM 610 O ILE A 39 8.016 3.462 12.504 1.00 0.00 O ATOM 611 CB ILE A 39 9.528 1.295 11.738 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.097 -0.111 11.537 1.00 0.00 C ATOM 613 CG2 ILE A 39 9.840 1.770 13.156 1.00 0.00 C ATOM 614 CD1 ILE A 39 9.566 -1.037 12.635 1.00 0.00 C ATOM 0 H ILE A 39 7.721 -0.056 9.885 1.00 0.00 H new ATOM 0 HA ILE A 39 7.523 0.536 12.183 1.00 0.00 H new ATOM 0 HB ILE A 39 9.978 1.977 11.017 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.814 -0.493 10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.186 -0.082 11.566 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.920 1.793 13.303 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.433 2.770 13.303 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.391 1.086 13.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.971 -2.039 12.493 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.871 -0.657 13.610 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.478 -1.075 12.584 1.00 0.00 H new ATOM 626 N CYS A 40 6.200 2.866 11.421 1.00 0.00 N ATOM 627 CA CYS A 40 5.558 4.188 11.667 1.00 0.00 C ATOM 628 C CYS A 40 4.114 3.988 12.140 1.00 0.00 C ATOM 629 O CYS A 40 3.598 2.890 12.103 1.00 0.00 O ATOM 630 CB CYS A 40 5.596 4.901 10.311 1.00 0.00 C ATOM 631 SG CYS A 40 4.399 4.146 9.182 1.00 0.00 S ATOM 0 H CYS A 40 5.637 2.203 10.888 1.00 0.00 H new ATOM 0 HA CYS A 40 6.066 4.764 12.440 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.369 5.959 10.441 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.598 4.840 9.886 1.00 0.00 H new ATOM 0 HG CYS A 40 4.437 4.759 8.036 1.00 0.00 H new ATOM 637 N PRO A 41 3.512 5.060 12.579 1.00 0.00 N ATOM 638 CA PRO A 41 2.115 4.992 13.070 1.00 0.00 C ATOM 639 C PRO A 41 1.236 4.271 12.047 1.00 0.00 C ATOM 640 O PRO A 41 0.335 3.535 12.395 1.00 0.00 O ATOM 641 CB PRO A 41 1.709 6.455 13.213 1.00 0.00 C ATOM 642 CG PRO A 41 2.998 7.204 13.370 1.00 0.00 C ATOM 643 CD PRO A 41 4.064 6.416 12.653 1.00 0.00 C ATOM 0 HA PRO A 41 2.010 4.441 14.005 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.157 6.798 12.338 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.060 6.602 14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.914 8.206 12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.249 7.320 14.424 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.261 6.822 11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.008 6.434 13.198 1.00 0.00 H new ATOM 651 N SER A 42 1.573 4.381 10.790 1.00 0.00 N ATOM 652 CA SER A 42 0.848 3.596 9.753 1.00 0.00 C ATOM 653 C SER A 42 1.761 2.489 9.214 1.00 0.00 C ATOM 654 O SER A 42 1.593 2.005 8.113 1.00 0.00 O ATOM 655 CB SER A 42 0.499 4.601 8.654 1.00 0.00 C ATOM 656 OG SER A 42 1.623 5.427 8.391 1.00 0.00 O ATOM 0 H SER A 42 2.319 4.981 10.438 1.00 0.00 H new ATOM 0 HA SER A 42 -0.047 3.112 10.144 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.201 4.075 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.350 5.212 8.962 1.00 0.00 H new ATOM 0 HG SER A 42 2.446 4.913 8.528 1.00 0.00 H new ATOM 662 N GLY A 43 2.687 2.041 10.014 1.00 0.00 N ATOM 663 CA GLY A 43 3.560 0.913 9.587 1.00 0.00 C ATOM 664 C GLY A 43 3.086 -0.362 10.285 1.00 0.00 C ATOM 665 O GLY A 43 2.471 -1.218 9.682 1.00 0.00 O ATOM 0 H GLY A 43 2.877 2.408 10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.517 0.790 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.599 1.121 9.843 1.00 0.00 H new ATOM 669 N LYS A 44 3.236 -0.423 11.580 1.00 0.00 N ATOM 670 CA LYS A 44 2.647 -1.557 12.346 1.00 0.00 C ATOM 671 C LYS A 44 1.127 -1.583 12.156 1.00 0.00 C ATOM 672 O LYS A 44 0.527 -2.629 12.016 1.00 0.00 O ATOM 673 CB LYS A 44 3.002 -1.265 13.804 1.00 0.00 C ATOM 674 CG LYS A 44 2.366 -2.317 14.717 1.00 0.00 C ATOM 675 CD LYS A 44 2.960 -3.693 14.413 1.00 0.00 C ATOM 676 CE LYS A 44 2.552 -4.675 15.514 1.00 0.00 C ATOM 677 NZ LYS A 44 3.799 -4.914 16.295 1.00 0.00 N ATOM 0 H LYS A 44 3.741 0.264 12.140 1.00 0.00 H new ATOM 0 HA LYS A 44 3.025 -2.526 12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.085 -1.267 13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.651 -0.271 14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.540 -2.058 15.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.286 -2.336 14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.608 -4.048 13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.046 -3.628 14.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.765 -4.259 16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.166 -5.603 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.559 -5.054 17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.279 -5.762 15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.430 -4.093 16.201 1.00 0.00 H new ATOM 691 N ARG A 45 0.502 -0.435 12.151 1.00 0.00 N ATOM 692 CA ARG A 45 -0.974 -0.389 11.971 1.00 0.00 C ATOM 693 C ARG A 45 -1.329 -0.040 10.520 1.00 0.00 C ATOM 694 O ARG A 45 -2.228 -0.614 9.938 1.00 0.00 O ATOM 695 CB ARG A 45 -1.447 0.704 12.935 1.00 0.00 C ATOM 696 CG ARG A 45 -2.861 1.142 12.557 1.00 0.00 C ATOM 697 CD ARG A 45 -3.845 0.014 12.869 1.00 0.00 C ATOM 698 NE ARG A 45 -5.173 0.538 12.445 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.801 1.415 13.181 1.00 0.00 C ATOM 700 NH1 ARG A 45 -5.261 1.855 14.286 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.971 1.858 12.809 1.00 0.00 N ATOM 0 H ARG A 45 0.953 0.473 12.264 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.450 -1.348 12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.432 0.331 13.959 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.769 1.556 12.896 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.135 2.041 13.110 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.904 1.394 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.588 -0.896 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.838 -0.234 13.930 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.594 0.210 11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.345 1.514 14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.755 2.540 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.393 1.519 11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.463 2.543 13.383 1.00 0.00 H new ATOM 715 N GLY A 46 -0.623 0.884 9.925 1.00 0.00 N ATOM 716 CA GLY A 46 -0.918 1.247 8.509 1.00 0.00 C ATOM 717 C GLY A 46 -0.354 0.163 7.587 1.00 0.00 C ATOM 718 O GLY A 46 -0.840 -0.054 6.496 1.00 0.00 O ATOM 0 H GLY A 46 0.143 1.401 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.994 1.344 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.475 2.213 8.268 1.00 0.00 H new ATOM 722 N GLY A 47 0.617 -0.574 8.057 1.00 0.00 N ATOM 723 CA GLY A 47 1.152 -1.710 7.252 1.00 0.00 C ATOM 724 C GLY A 47 0.118 -2.840 7.215 1.00 0.00 C ATOM 725 O GLY A 47 0.291 -3.831 6.532 1.00 0.00 O ATOM 0 H GLY A 47 1.063 -0.438 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.379 -1.377 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.085 -2.070 7.686 1.00 0.00 H new ATOM 729 N ASP A 48 -0.967 -2.687 7.923 1.00 0.00 N ATOM 730 CA ASP A 48 -2.028 -3.731 7.914 1.00 0.00 C ATOM 731 C ASP A 48 -3.238 -3.227 8.699 1.00 0.00 C ATOM 732 O ASP A 48 -3.499 -3.652 9.807 1.00 0.00 O ATOM 733 CB ASP A 48 -1.402 -4.947 8.599 1.00 0.00 C ATOM 734 CG ASP A 48 -2.258 -6.185 8.324 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.412 -6.016 7.963 1.00 0.00 O ATOM 736 OD2 ASP A 48 -1.746 -7.281 8.478 1.00 0.00 O ATOM 0 H ASP A 48 -1.165 -1.877 8.511 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.371 -3.976 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.388 -5.104 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.328 -4.775 9.673 1.00 0.00 H new ATOM 741 N LEU A 49 -3.931 -2.266 8.155 1.00 0.00 N ATOM 742 CA LEU A 49 -5.076 -1.660 8.891 1.00 0.00 C ATOM 743 C LEU A 49 -6.232 -2.660 8.980 1.00 0.00 C ATOM 744 O LEU A 49 -7.009 -2.642 9.914 1.00 0.00 O ATOM 745 CB LEU A 49 -5.469 -0.424 8.072 1.00 0.00 C ATOM 746 CG LEU A 49 -4.371 0.639 8.199 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.284 1.441 6.898 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.690 1.587 9.356 1.00 0.00 C ATOM 0 H LEU A 49 -3.754 -1.873 7.231 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.819 -1.392 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.608 -0.696 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.419 -0.026 8.427 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.419 0.145 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.504 2.197 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.046 0.770 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.240 1.928 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.904 2.338 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.645 2.079 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.748 1.020 10.285 1.00 0.00 H new ATOM 760 N GLY A 50 -6.351 -3.539 8.018 1.00 0.00 N ATOM 761 CA GLY A 50 -7.455 -4.536 8.057 1.00 0.00 C ATOM 762 C GLY A 50 -8.447 -4.238 6.933 1.00 0.00 C ATOM 763 O GLY A 50 -8.066 -3.883 5.834 1.00 0.00 O ATOM 0 H GLY A 50 -5.732 -3.607 7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.054 -5.544 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.960 -4.499 9.022 1.00 0.00 H new ATOM 767 N GLU A 51 -9.711 -4.432 7.183 1.00 0.00 N ATOM 768 CA GLU A 51 -10.721 -4.219 6.110 1.00 0.00 C ATOM 769 C GLU A 51 -11.617 -3.024 6.448 1.00 0.00 C ATOM 770 O GLU A 51 -12.132 -2.910 7.543 1.00 0.00 O ATOM 771 CB GLU A 51 -11.539 -5.509 6.080 1.00 0.00 C ATOM 772 CG GLU A 51 -12.282 -5.608 4.747 1.00 0.00 C ATOM 773 CD GLU A 51 -13.158 -6.862 4.744 1.00 0.00 C ATOM 774 OE1 GLU A 51 -12.651 -7.914 4.391 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.321 -6.749 5.093 1.00 0.00 O ATOM 0 H GLU A 51 -10.088 -4.729 8.083 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.259 -4.003 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.884 -6.371 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.249 -5.522 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.897 -4.721 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.569 -5.647 3.923 1.00 0.00 H new ATOM 782 N PHE A 52 -11.879 -2.184 5.485 1.00 0.00 N ATOM 783 CA PHE A 52 -12.829 -1.050 5.710 1.00 0.00 C ATOM 784 C PHE A 52 -13.557 -0.720 4.405 1.00 0.00 C ATOM 785 O PHE A 52 -13.276 -1.290 3.373 1.00 0.00 O ATOM 786 CB PHE A 52 -11.981 0.143 6.182 1.00 0.00 C ATOM 787 CG PHE A 52 -10.610 0.128 5.539 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.454 -0.287 4.209 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.492 0.534 6.281 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.180 -0.294 3.622 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.220 0.526 5.695 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.064 0.112 4.365 1.00 0.00 C ATOM 0 H PHE A 52 -11.477 -2.231 4.549 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.587 -1.299 6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.491 1.075 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.877 0.113 7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.314 -0.601 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.612 0.853 7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.060 -0.612 2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.359 0.839 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.083 0.106 3.913 1.00 0.00 H new ATOM 802 N ARG A 53 -14.584 0.084 4.465 1.00 0.00 N ATOM 803 CA ARG A 53 -15.417 0.299 3.245 1.00 0.00 C ATOM 804 C ARG A 53 -14.532 0.653 2.045 1.00 0.00 C ATOM 805 O ARG A 53 -14.166 -0.201 1.263 1.00 0.00 O ATOM 806 CB ARG A 53 -16.348 1.459 3.582 1.00 0.00 C ATOM 807 CG ARG A 53 -17.198 1.780 2.351 1.00 0.00 C ATOM 808 CD ARG A 53 -18.147 2.941 2.653 1.00 0.00 C ATOM 809 NE ARG A 53 -18.880 3.156 1.374 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.897 3.973 1.323 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.293 4.601 2.398 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.521 4.161 0.193 1.00 0.00 N ATOM 0 H ARG A 53 -14.881 0.596 5.295 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.973 -0.599 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.988 1.197 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.769 2.333 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.552 2.037 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.770 0.900 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.829 2.696 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.600 3.835 2.954 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.585 2.661 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.807 4.454 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.088 5.238 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.214 3.670 -0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.316 4.799 0.149 1.00 0.00 H new ATOM 900 N PRO A 59 -7.025 9.195 -0.229 1.00 0.00 N ATOM 901 CA PRO A 59 -7.616 9.366 -1.577 1.00 0.00 C ATOM 902 C PRO A 59 -6.845 8.530 -2.604 1.00 0.00 C ATOM 903 O PRO A 59 -7.416 7.743 -3.333 1.00 0.00 O ATOM 904 CB PRO A 59 -7.469 10.865 -1.866 1.00 0.00 C ATOM 905 CG PRO A 59 -6.669 11.433 -0.728 1.00 0.00 C ATOM 906 CD PRO A 59 -6.778 10.474 0.425 1.00 0.00 C ATOM 0 HA PRO A 59 -8.654 9.037 -1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.964 11.031 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.445 11.346 -1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.627 11.564 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.047 12.416 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.864 10.453 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.590 10.745 1.099 1.00 0.00 H new ATOM 914 N ALA A 60 -5.553 8.696 -2.666 1.00 0.00 N ATOM 915 CA ALA A 60 -4.742 7.916 -3.643 1.00 0.00 C ATOM 916 C ALA A 60 -5.182 6.446 -3.656 1.00 0.00 C ATOM 917 O ALA A 60 -5.228 5.814 -4.693 1.00 0.00 O ATOM 918 CB ALA A 60 -3.300 8.043 -3.146 1.00 0.00 C ATOM 0 H ALA A 60 -5.022 9.340 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.859 8.285 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.635 7.494 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.012 9.094 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.224 7.631 -2.140 1.00 0.00 H new ATOM 924 N PHE A 61 -5.513 5.898 -2.517 1.00 0.00 N ATOM 925 CA PHE A 61 -5.960 4.472 -2.477 1.00 0.00 C ATOM 926 C PHE A 61 -7.208 4.280 -3.342 1.00 0.00 C ATOM 927 O PHE A 61 -7.338 3.299 -4.047 1.00 0.00 O ATOM 928 CB PHE A 61 -6.278 4.187 -1.008 1.00 0.00 C ATOM 929 CG PHE A 61 -6.877 2.807 -0.879 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.163 1.684 -1.319 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.155 2.651 -0.321 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.727 0.405 -1.200 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.718 1.373 -0.203 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.004 0.250 -0.642 1.00 0.00 C ATOM 0 H PHE A 61 -5.494 6.373 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.198 3.796 -2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.371 4.258 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.973 4.934 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.180 1.803 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.705 3.516 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.177 -0.461 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.702 1.254 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.437 -0.735 -0.551 1.00 0.00 H new ATOM 944 N ASP A 62 -8.122 5.211 -3.307 1.00 0.00 N ATOM 945 CA ASP A 62 -9.346 5.072 -4.144 1.00 0.00 C ATOM 946 C ASP A 62 -8.961 4.990 -5.620 1.00 0.00 C ATOM 947 O ASP A 62 -9.449 4.154 -6.355 1.00 0.00 O ATOM 948 CB ASP A 62 -10.164 6.335 -3.873 1.00 0.00 C ATOM 949 CG ASP A 62 -11.457 6.291 -4.692 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.440 5.696 -5.756 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.442 6.852 -4.240 1.00 0.00 O ATOM 0 H ASP A 62 -8.075 6.057 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.908 4.169 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.396 6.410 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.584 7.220 -4.136 1.00 0.00 H new ATOM 956 N LYS A 63 -8.088 5.851 -6.060 1.00 0.00 N ATOM 957 CA LYS A 63 -7.670 5.825 -7.488 1.00 0.00 C ATOM 958 C LYS A 63 -7.038 4.471 -7.842 1.00 0.00 C ATOM 959 O LYS A 63 -7.328 3.895 -8.871 1.00 0.00 O ATOM 960 CB LYS A 63 -6.646 6.952 -7.613 1.00 0.00 C ATOM 961 CG LYS A 63 -7.360 8.300 -7.482 1.00 0.00 C ATOM 962 CD LYS A 63 -6.342 9.435 -7.607 1.00 0.00 C ATOM 963 CE LYS A 63 -7.059 10.782 -7.475 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.491 10.849 -6.050 1.00 0.00 N ATOM 0 H LYS A 63 -7.645 6.573 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.511 5.958 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.884 6.854 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.135 6.890 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.123 8.395 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.871 8.360 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.579 9.340 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.831 9.376 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.395 11.609 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.913 10.843 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.213 11.766 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.524 10.746 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.038 10.082 -5.513 1.00 0.00 H new ATOM 978 N VAL A 64 -6.097 4.014 -7.055 1.00 0.00 N ATOM 979 CA VAL A 64 -5.364 2.763 -7.425 1.00 0.00 C ATOM 980 C VAL A 64 -6.246 1.528 -7.229 1.00 0.00 C ATOM 981 O VAL A 64 -6.403 0.736 -8.138 1.00 0.00 O ATOM 982 CB VAL A 64 -4.145 2.704 -6.505 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.594 2.660 -5.042 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.337 1.445 -6.822 1.00 0.00 C ATOM 0 H VAL A 64 -5.806 4.448 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.075 2.773 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.532 3.591 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.719 2.618 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.173 3.554 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.210 1.776 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.466 1.398 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.959 0.564 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.010 1.475 -7.861 1.00 0.00 H new ATOM 994 N VAL A 65 -6.942 1.418 -6.131 1.00 0.00 N ATOM 995 CA VAL A 65 -7.930 0.306 -6.023 1.00 0.00 C ATOM 996 C VAL A 65 -8.933 0.411 -7.176 1.00 0.00 C ATOM 997 O VAL A 65 -9.479 -0.575 -7.632 1.00 0.00 O ATOM 998 CB VAL A 65 -8.623 0.476 -4.670 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.626 1.626 -4.740 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.361 -0.818 -4.318 1.00 0.00 C ATOM 0 H VAL A 65 -6.874 2.034 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.458 -0.675 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.876 0.698 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.116 1.741 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.105 2.549 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.375 1.410 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.857 -0.703 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.104 -1.033 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.648 -1.640 -4.263 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.101 1.592 -7.713 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.978 1.760 -8.909 1.00 0.00 C ATOM 1012 C PHE A 66 -9.124 1.769 -10.187 1.00 0.00 C ATOM 1013 O PHE A 66 -9.634 1.777 -11.290 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.659 3.113 -8.703 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.588 3.396 -9.857 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.115 4.075 -10.989 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -12.926 2.983 -9.796 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -11.980 4.339 -12.060 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.792 3.247 -10.866 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.319 3.925 -11.999 1.00 0.00 C ATOM 0 H PHE A 66 -8.667 2.450 -7.373 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.702 0.952 -9.018 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.217 3.111 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.909 3.900 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.084 4.395 -11.036 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.290 2.461 -8.924 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -11.616 4.861 -12.932 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -14.823 2.929 -10.818 1.00 0.00 H new ATOM 0 HZ PHE A 66 -13.985 4.128 -12.824 1.00 0.00 H new ATOM 1030 N SER A 67 -7.832 1.666 -10.035 1.00 0.00 N ATOM 1031 CA SER A 67 -6.928 1.553 -11.212 1.00 0.00 C ATOM 1032 C SER A 67 -6.605 0.079 -11.471 1.00 0.00 C ATOM 1033 O SER A 67 -7.068 -0.511 -12.427 1.00 0.00 O ATOM 1034 CB SER A 67 -5.664 2.314 -10.815 1.00 0.00 C ATOM 1035 OG SER A 67 -4.793 2.401 -11.934 1.00 0.00 O ATOM 0 H SER A 67 -7.359 1.655 -9.131 1.00 0.00 H new ATOM 0 HA SER A 67 -7.373 1.955 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.923 3.313 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.164 1.806 -9.990 1.00 0.00 H new ATOM 0 HG SER A 67 -3.983 2.891 -11.681 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.880 -0.541 -10.576 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.607 -2.001 -10.720 1.00 0.00 C ATOM 1043 C CYS A 68 -6.666 -2.812 -9.961 1.00 0.00 C ATOM 1044 O CYS A 68 -6.905 -2.575 -8.794 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.228 -2.213 -10.093 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.994 -1.255 -11.009 1.00 0.00 S ATOM 0 H CYS A 68 -5.467 -0.100 -9.754 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.637 -2.325 -11.760 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.241 -1.904 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.968 -3.271 -10.110 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.843 -1.857 -10.946 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.253 -3.757 -10.646 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.278 -4.618 -10.014 1.00 0.00 C ATOM 1054 C PRO A 69 -7.752 -5.191 -8.692 1.00 0.00 C ATOM 1055 O PRO A 69 -6.575 -5.118 -8.398 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.519 -5.737 -11.026 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.900 -5.291 -12.319 1.00 0.00 C ATOM 1058 CD PRO A 69 -7.016 -4.098 -12.050 1.00 0.00 C ATOM 0 HA PRO A 69 -9.191 -4.072 -9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.071 -6.670 -10.685 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.586 -5.922 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.317 -6.101 -12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.676 -5.031 -13.039 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.967 -4.337 -12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.268 -3.265 -12.706 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.622 -5.733 -7.880 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.179 -6.277 -6.562 1.00 0.00 C ATOM 1068 C VAL A 70 -7.139 -7.387 -6.755 1.00 0.00 C ATOM 1069 O VAL A 70 -6.898 -7.840 -7.856 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.446 -6.842 -5.916 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.422 -5.700 -5.621 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -10.104 -7.844 -6.866 1.00 0.00 C ATOM 0 H VAL A 70 -9.620 -5.822 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.710 -5.511 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.184 -7.345 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.324 -6.102 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.954 -4.988 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.683 -5.195 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.006 -8.245 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.366 -7.344 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.410 -8.658 -7.074 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.505 -7.800 -5.688 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.454 -8.861 -5.785 1.00 0.00 C ATOM 1084 C LEU A 71 -4.318 -8.410 -6.704 1.00 0.00 C ATOM 1085 O LEU A 71 -3.614 -9.217 -7.278 1.00 0.00 O ATOM 1086 CB LEU A 71 -6.156 -10.095 -6.360 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.981 -10.773 -5.266 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.374 -10.143 -5.211 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -7.111 -12.266 -5.579 1.00 0.00 C ATOM 0 H LEU A 71 -6.671 -7.446 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.009 -9.072 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.801 -9.805 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.419 -10.792 -6.758 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.485 -10.643 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.962 -10.627 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.284 -9.079 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.870 -10.273 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.699 -12.751 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.607 -12.394 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.119 -12.717 -5.619 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.114 -7.127 -6.831 1.00 0.00 N ATOM 1102 CA GLU A 72 -3.002 -6.635 -7.694 1.00 0.00 C ATOM 1103 C GLU A 72 -2.171 -5.592 -6.941 1.00 0.00 C ATOM 1104 O GLU A 72 -2.430 -4.408 -7.035 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.690 -6.000 -8.904 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.719 -5.952 -10.090 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.357 -5.432 -9.624 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -1.193 -4.225 -9.569 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -0.501 -6.251 -9.333 1.00 0.00 O ATOM 0 H GLU A 72 -4.667 -6.400 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.321 -7.434 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.577 -6.574 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.025 -4.993 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.610 -6.946 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.117 -5.305 -10.872 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.155 -6.062 -6.267 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.234 -5.147 -5.554 1.00 0.00 C ATOM 1118 C PRO A 73 0.263 -4.067 -6.518 1.00 0.00 C ATOM 1119 O PRO A 73 0.924 -4.356 -7.496 1.00 0.00 O ATOM 1120 CB PRO A 73 0.913 -6.050 -5.107 1.00 0.00 C ATOM 1121 CG PRO A 73 0.347 -7.437 -5.103 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.777 -7.469 -6.109 1.00 0.00 C ATOM 0 HA PRO A 73 -0.700 -4.631 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.761 -5.974 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.272 -5.769 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.115 -8.166 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.019 -7.699 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.453 -7.903 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.614 -8.069 -5.753 1.00 0.00 H new ATOM 1130 N THR A 74 -0.156 -2.847 -6.325 1.00 0.00 N ATOM 1131 CA THR A 74 0.180 -1.789 -7.318 1.00 0.00 C ATOM 1132 C THR A 74 0.986 -0.669 -6.657 1.00 0.00 C ATOM 1133 O THR A 74 0.620 -0.154 -5.618 1.00 0.00 O ATOM 1134 CB THR A 74 -1.171 -1.268 -7.806 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.901 -2.336 -8.397 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.953 -0.167 -8.842 1.00 0.00 C ATOM 0 H THR A 74 -0.713 -2.538 -5.528 1.00 0.00 H new ATOM 0 HA THR A 74 0.792 -2.170 -8.136 1.00 0.00 H new ATOM 0 HB THR A 74 -1.730 -0.864 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.309 -2.851 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.918 0.203 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.392 0.651 -8.391 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.394 -0.568 -9.687 1.00 0.00 H new ATOM 1144 N GLY A 75 2.088 -0.297 -7.249 1.00 0.00 N ATOM 1145 CA GLY A 75 2.931 0.779 -6.658 1.00 0.00 C ATOM 1146 C GLY A 75 4.402 0.506 -7.000 1.00 0.00 C ATOM 1147 O GLY A 75 4.689 -0.337 -7.826 1.00 0.00 O ATOM 0 H GLY A 75 2.441 -0.694 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.628 1.751 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.796 0.812 -5.577 1.00 0.00 H new ATOM 1151 N PRO A 76 5.293 1.248 -6.383 1.00 0.00 N ATOM 1152 CA PRO A 76 4.902 2.270 -5.379 1.00 0.00 C ATOM 1153 C PRO A 76 4.321 3.508 -6.072 1.00 0.00 C ATOM 1154 O PRO A 76 4.786 3.922 -7.116 1.00 0.00 O ATOM 1155 CB PRO A 76 6.213 2.597 -4.670 1.00 0.00 C ATOM 1156 CG PRO A 76 7.292 2.252 -5.650 1.00 0.00 C ATOM 1157 CD PRO A 76 6.746 1.193 -6.575 1.00 0.00 C ATOM 0 HA PRO A 76 4.131 1.924 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.257 3.650 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.317 2.020 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.594 3.135 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.178 1.887 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.017 1.394 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.142 0.208 -6.327 1.00 0.00 H new ATOM 1165 N LEU A 77 3.277 4.071 -5.525 1.00 0.00 N ATOM 1166 CA LEU A 77 2.631 5.246 -6.183 1.00 0.00 C ATOM 1167 C LEU A 77 3.110 6.552 -5.548 1.00 0.00 C ATOM 1168 O LEU A 77 3.882 6.551 -4.611 1.00 0.00 O ATOM 1169 CB LEU A 77 1.130 5.063 -5.961 1.00 0.00 C ATOM 1170 CG LEU A 77 0.474 4.677 -7.286 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.714 5.785 -8.315 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.091 3.374 -7.793 1.00 0.00 C ATOM 0 H LEU A 77 2.843 3.769 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 77 2.881 5.301 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.952 4.290 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.691 5.984 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.598 4.543 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.246 5.511 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.281 6.718 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.786 5.917 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.626 3.095 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.162 3.512 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.926 2.584 -7.060 1.00 0.00 H new ATOM 1184 N HIS A 78 2.707 7.665 -6.091 1.00 0.00 N ATOM 1185 CA HIS A 78 3.198 8.970 -5.562 1.00 0.00 C ATOM 1186 C HIS A 78 2.077 9.723 -4.840 1.00 0.00 C ATOM 1187 O HIS A 78 1.040 10.010 -5.405 1.00 0.00 O ATOM 1188 CB HIS A 78 3.659 9.744 -6.796 1.00 0.00 C ATOM 1189 CG HIS A 78 4.813 9.018 -7.427 1.00 0.00 C ATOM 1190 ND1 HIS A 78 5.719 8.123 -6.916 1.00 0.00 N flip ATOM 1191 CD2 HIS A 78 5.147 9.175 -8.762 1.00 0.00 C flip ATOM 1192 CE1 HIS A 78 6.601 7.726 -7.916 1.00 0.00 C flip ATOM 1193 NE2 HIS A 78 6.212 8.390 -9.008 1.00 0.00 N flip ATOM 0 H HIS A 78 2.060 7.730 -6.877 1.00 0.00 H new ATOM 0 HA HIS A 78 3.999 8.840 -4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.839 9.839 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.958 10.754 -6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.742 7.798 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.644 9.811 -9.475 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.423 7.031 -7.828 1.00 0.00 H new ATOM 1201 N THR A 79 2.328 10.134 -3.629 1.00 0.00 N ATOM 1202 CA THR A 79 1.338 10.979 -2.896 1.00 0.00 C ATOM 1203 C THR A 79 2.070 12.065 -2.104 1.00 0.00 C ATOM 1204 O THR A 79 3.278 12.040 -1.969 1.00 0.00 O ATOM 1205 CB THR A 79 0.603 10.029 -1.944 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.538 10.692 -1.415 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.537 9.623 -0.802 1.00 0.00 C ATOM 0 H THR A 79 3.180 9.921 -3.111 1.00 0.00 H new ATOM 0 HA THR A 79 0.645 11.477 -3.574 1.00 0.00 H new ATOM 0 HB THR A 79 0.290 9.136 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.014 10.089 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.013 8.948 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.414 9.120 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.851 10.512 -0.255 1.00 0.00 H new ATOM 1215 N GLN A 80 1.355 13.024 -1.588 1.00 0.00 N ATOM 1216 CA GLN A 80 2.016 14.121 -0.823 1.00 0.00 C ATOM 1217 C GLN A 80 2.770 13.554 0.384 1.00 0.00 C ATOM 1218 O GLN A 80 3.841 14.012 0.729 1.00 0.00 O ATOM 1219 CB GLN A 80 0.872 15.021 -0.363 1.00 0.00 C ATOM 1220 CG GLN A 80 1.435 16.195 0.441 1.00 0.00 C ATOM 1221 CD GLN A 80 0.284 17.093 0.900 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -0.839 16.929 0.467 1.00 0.00 O ATOM 1223 NE2 GLN A 80 0.518 18.041 1.764 1.00 0.00 N ATOM 0 H GLN A 80 0.340 13.097 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 80 2.748 14.660 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.317 15.390 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.171 14.452 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.990 15.827 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.135 16.766 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.461 18.178 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.242 18.645 2.077 1.00 0.00 H new ATOM 1232 N PHE A 81 2.202 12.592 1.055 1.00 0.00 N ATOM 1233 CA PHE A 81 2.868 12.035 2.267 1.00 0.00 C ATOM 1234 C PHE A 81 4.191 11.359 1.892 1.00 0.00 C ATOM 1235 O PHE A 81 5.011 11.069 2.740 1.00 0.00 O ATOM 1236 CB PHE A 81 1.884 11.008 2.829 1.00 0.00 C ATOM 1237 CG PHE A 81 0.622 11.709 3.270 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.546 12.275 4.552 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.475 11.793 2.401 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.627 12.925 4.962 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.648 12.444 2.812 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.723 13.009 4.093 1.00 0.00 C ATOM 0 H PHE A 81 1.306 12.167 0.818 1.00 0.00 H new ATOM 0 HA PHE A 81 3.106 12.812 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.651 10.259 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.333 10.481 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.390 12.210 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.417 11.356 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.686 13.361 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.493 12.510 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.626 13.509 4.410 1.00 0.00 H new ATOM 1252 N GLY A 82 4.386 11.062 0.636 1.00 0.00 N ATOM 1253 CA GLY A 82 5.630 10.353 0.223 1.00 0.00 C ATOM 1254 C GLY A 82 5.288 9.322 -0.853 1.00 0.00 C ATOM 1255 O GLY A 82 4.417 9.534 -1.671 1.00 0.00 O ATOM 0 H GLY A 82 3.738 11.280 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.360 11.067 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.085 9.861 1.083 1.00 0.00 H new ATOM 1259 N TYR A 83 5.939 8.193 -0.839 1.00 0.00 N ATOM 1260 CA TYR A 83 5.613 7.137 -1.841 1.00 0.00 C ATOM 1261 C TYR A 83 4.655 6.110 -1.233 1.00 0.00 C ATOM 1262 O TYR A 83 4.957 5.477 -0.243 1.00 0.00 O ATOM 1263 CB TYR A 83 6.954 6.494 -2.191 1.00 0.00 C ATOM 1264 CG TYR A 83 7.734 7.432 -3.080 1.00 0.00 C ATOM 1265 CD1 TYR A 83 8.591 8.387 -2.516 1.00 0.00 C ATOM 1266 CD2 TYR A 83 7.594 7.352 -4.473 1.00 0.00 C ATOM 1267 CE1 TYR A 83 9.309 9.261 -3.345 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.310 8.226 -5.302 1.00 0.00 C ATOM 1269 CZ TYR A 83 9.168 9.180 -4.737 1.00 0.00 C ATOM 1270 OH TYR A 83 9.874 10.041 -5.552 1.00 0.00 O ATOM 0 H TYR A 83 6.680 7.955 -0.180 1.00 0.00 H new ATOM 0 HA TYR A 83 5.118 7.541 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.518 6.281 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.794 5.542 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.698 8.450 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.934 6.616 -4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.970 9.996 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.201 8.165 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 83 10.048 9.607 -6.413 1.00 0.00 H new ATOM 1280 N HIS A 84 3.519 5.919 -1.842 1.00 0.00 N ATOM 1281 CA HIS A 84 2.554 4.900 -1.323 1.00 0.00 C ATOM 1282 C HIS A 84 2.547 3.661 -2.218 1.00 0.00 C ATOM 1283 O HIS A 84 2.045 3.698 -3.323 1.00 0.00 O ATOM 1284 CB HIS A 84 1.169 5.564 -1.355 1.00 0.00 C ATOM 1285 CG HIS A 84 0.973 6.414 -0.131 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.038 7.357 -0.051 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.637 6.472 1.070 1.00 0.00 C ATOM 1288 CE1 HIS A 84 0.042 7.939 1.158 1.00 0.00 C ATOM 1289 NE2 HIS A 84 1.047 7.437 1.883 1.00 0.00 N ATOM 0 H HIS A 84 3.214 6.421 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 84 2.829 4.581 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.072 6.176 -2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.393 4.801 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.486 5.863 1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.624 8.717 1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.322 7.703 2.828 1.00 0.00 H new ATOM 1297 N ILE A 85 2.873 2.522 -1.673 1.00 0.00 N ATOM 1298 CA ILE A 85 2.618 1.261 -2.430 1.00 0.00 C ATOM 1299 C ILE A 85 1.482 0.491 -1.758 1.00 0.00 C ATOM 1300 O ILE A 85 1.485 0.292 -0.559 1.00 0.00 O ATOM 1301 CB ILE A 85 3.922 0.466 -2.374 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.855 -0.681 -3.385 1.00 0.00 C ATOM 1303 CG2 ILE A 85 4.110 -0.110 -0.974 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.261 -0.996 -3.900 1.00 0.00 C ATOM 0 H ILE A 85 3.298 2.408 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 85 2.323 1.449 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 85 4.759 1.122 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.421 -1.565 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.205 -0.408 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.040 -0.677 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.150 0.703 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.274 -0.768 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.210 -1.813 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.678 -0.112 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.898 -1.287 -3.065 1.00 0.00 H new ATOM 1316 N ILE A 86 0.431 0.226 -2.482 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.787 -0.332 -1.832 1.00 0.00 C ATOM 1318 C ILE A 86 -1.087 -1.746 -2.335 1.00 0.00 C ATOM 1319 O ILE A 86 -1.278 -1.973 -3.515 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.913 0.625 -2.220 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.588 2.028 -1.703 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.229 0.143 -1.605 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.617 3.023 -2.242 1.00 0.00 C ATOM 0 H ILE A 86 0.362 0.370 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.665 -0.414 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.011 0.652 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.595 2.036 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.586 2.319 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.032 0.826 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.459 -0.856 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.135 0.115 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.385 4.022 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.588 3.022 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.613 2.735 -1.906 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.298 -2.655 -1.425 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.785 -4.006 -1.812 1.00 0.00 C ATOM 1337 C LYS A 87 -3.280 -4.104 -1.496 1.00 0.00 C ATOM 1338 O LYS A 87 -3.725 -3.689 -0.445 1.00 0.00 O ATOM 1339 CB LYS A 87 -0.985 -4.975 -0.941 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.278 -6.415 -1.358 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.479 -7.367 -0.465 1.00 0.00 C ATOM 1342 CE LYS A 87 -0.407 -8.748 -1.119 1.00 0.00 C ATOM 1343 NZ LYS A 87 -1.331 -9.601 -0.317 1.00 0.00 N ATOM 0 H LYS A 87 -1.153 -2.518 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.656 -4.222 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.081 -4.769 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.243 -4.832 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.344 -6.623 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.009 -6.566 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.526 -6.976 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.949 -7.442 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.714 -8.707 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.609 -9.141 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.819 -10.438 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.690 -9.057 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.129 -9.903 -0.912 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.068 -4.575 -2.419 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.544 -4.604 -2.183 1.00 0.00 C ATOM 1359 C VAL A 88 -6.070 -6.039 -2.248 1.00 0.00 C ATOM 1360 O VAL A 88 -5.595 -6.850 -3.019 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.158 -3.734 -3.289 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -5.534 -2.337 -3.237 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.905 -4.352 -4.668 1.00 0.00 C ATOM 0 H VAL A 88 -3.761 -4.939 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.805 -4.226 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.234 -3.670 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.967 -1.716 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.733 -1.886 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.457 -2.414 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.348 -3.720 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.832 -4.433 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.355 -5.344 -4.710 1.00 0.00 H new ATOM 1373 N LEU A 89 -6.961 -6.390 -1.356 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.414 -7.794 -1.264 1.00 0.00 C ATOM 1375 C LEU A 89 -8.920 -7.839 -1.006 1.00 0.00 C ATOM 1376 O LEU A 89 -9.617 -6.855 -1.152 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.658 -8.370 -0.065 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.157 -8.149 -0.248 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.422 -8.603 1.015 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -4.659 -8.960 -1.445 1.00 0.00 C ATOM 0 H LEU A 89 -7.392 -5.753 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.224 -8.354 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.996 -7.892 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.869 -9.435 0.033 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.965 -7.091 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.351 -8.447 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.775 -8.025 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.616 -9.661 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.588 -8.800 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.850 -10.019 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.184 -8.640 -2.345 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.402 -8.992 -0.652 1.00 0.00 N ATOM 1393 CA TYR A 90 -10.868 -9.208 -0.418 1.00 0.00 C ATOM 1394 C TYR A 90 -11.729 -8.290 -1.298 1.00 0.00 C ATOM 1395 O TYR A 90 -12.226 -8.703 -2.327 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.093 -8.900 1.064 1.00 0.00 C ATOM 1397 CG TYR A 90 -10.633 -10.072 1.900 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -9.310 -10.136 2.357 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -11.537 -11.097 2.219 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -8.890 -11.226 3.133 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -11.115 -12.185 2.994 1.00 0.00 C ATOM 1402 CZ TYR A 90 -9.792 -12.250 3.452 1.00 0.00 C ATOM 1403 OH TYR A 90 -9.378 -13.323 4.216 1.00 0.00 O ATOM 0 H TYR A 90 -8.830 -9.824 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.159 -10.226 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.545 -8.001 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.149 -8.701 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.615 -9.347 2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.557 -11.047 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.870 -11.276 3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.810 -12.975 3.239 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.127 -13.941 4.345 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.991 -7.086 -0.868 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.911 -6.210 -1.650 1.00 0.00 C ATOM 1415 C ARG A 91 -14.243 -6.930 -1.881 1.00 0.00 C ATOM 1416 O ARG A 91 -14.718 -7.034 -2.995 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.199 -5.955 -2.979 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.122 -4.447 -3.235 1.00 0.00 C ATOM 1419 CD ARG A 91 -12.925 -4.103 -4.493 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.377 -2.797 -4.959 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.770 -1.681 -4.402 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.613 -1.704 -3.404 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.313 -0.539 -4.840 1.00 0.00 N ATOM 0 H ARG A 91 -11.612 -6.673 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.134 -5.278 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.197 -6.382 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.735 -6.446 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.516 -3.901 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.083 -4.140 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.811 -4.873 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.990 -4.028 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.693 -2.774 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.967 -2.595 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.917 -0.831 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.651 -0.518 -5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.618 0.332 -4.407 1.00 0.00 H new