USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 71 HIS : no HE2:sc= -0.844 X(o=-0.63,f=-0.24) USER MOD Set 1.2: A 73 SER OG : rot 90:sc= 0.217 USER MOD Set 2.1: A 14 THR OG1 : rot 37:sc= 0.185 USER MOD Set 2.2: A 17 MET CE :methyl -112:sc= -0.102 (180deg=-3.17!) USER MOD Single : A 13 CYS SG : rot -48:sc= 0.274 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 27 SER OG : rot -62:sc= 1.2 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.25 USER MOD Single : A 33 MET CE :methyl 145:sc= -6.38! (180deg=-11.4!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.064 (180deg=-0.379) USER MOD Single : A 48 THR OG1 : rot -16:sc= 0.00554 USER MOD Single : A 53 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.2!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 71:sc= 1.2 USER MOD Single : A 59 CYS SG : rot 49:sc= 0.704 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.12 (180deg=0.0236) USER MOD Single : A 69 SER OG : rot -109:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.615 6.707 0.401 1.00 0.00 N ATOM 60 CA GLY A 7 -4.472 5.932 0.849 1.00 0.00 C ATOM 61 C GLY A 7 -4.858 4.850 1.839 1.00 0.00 C ATOM 62 O GLY A 7 -5.456 5.134 2.877 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.986 5.475 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.743 6.599 1.310 1.00 0.00 H new ATOM 66 N VAL A 8 -4.515 3.606 1.517 1.00 0.00 N ATOM 67 CA VAL A 8 -4.830 2.479 2.386 1.00 0.00 C ATOM 68 C VAL A 8 -3.562 1.756 2.828 1.00 0.00 C ATOM 69 O VAL A 8 -2.513 1.876 2.194 1.00 0.00 O ATOM 70 CB VAL A 8 -5.762 1.473 1.685 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.183 2.013 1.630 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.250 1.156 0.288 1.00 0.00 C ATOM 0 H VAL A 8 -4.020 3.354 0.662 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.338 2.886 3.260 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.771 0.548 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.828 1.290 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.546 2.185 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.194 2.952 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.921 0.444 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.211 2.072 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.251 0.725 0.356 1.00 0.00 H new ATOM 82 N PHE A 9 -3.666 1.005 3.920 1.00 0.00 N ATOM 83 CA PHE A 9 -2.527 0.263 4.449 1.00 0.00 C ATOM 84 C PHE A 9 -2.726 -1.238 4.268 1.00 0.00 C ATOM 85 O PHE A 9 -3.673 -1.819 4.799 1.00 0.00 O ATOM 86 CB PHE A 9 -2.323 0.587 5.930 1.00 0.00 C ATOM 87 CG PHE A 9 -1.771 1.964 6.171 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.561 2.346 5.615 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.463 2.873 6.954 1.00 0.00 C ATOM 90 CE1 PHE A 9 -0.050 3.611 5.838 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.957 4.140 7.179 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.751 4.510 6.619 1.00 0.00 C ATOM 0 H PHE A 9 -4.527 0.894 4.456 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.639 0.564 3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.276 0.490 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.646 -0.149 6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.011 1.648 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.408 2.589 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.896 3.896 5.402 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.505 4.840 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.356 5.500 6.791 1.00 0.00 H new ATOM 102 N VAL A 10 -1.827 -1.863 3.513 1.00 0.00 N ATOM 103 CA VAL A 10 -1.903 -3.296 3.262 1.00 0.00 C ATOM 104 C VAL A 10 -1.057 -4.075 4.263 1.00 0.00 C ATOM 105 O VAL A 10 0.087 -4.429 3.983 1.00 0.00 O ATOM 106 CB VAL A 10 -1.436 -3.642 1.835 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.608 -5.128 1.561 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.196 -2.812 0.811 1.00 0.00 C ATOM 0 H VAL A 10 -1.038 -1.398 3.065 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.949 -3.581 3.374 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.376 -3.402 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.273 -5.352 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.016 -5.701 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.659 -5.398 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.854 -3.069 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.263 -3.019 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.016 -1.753 0.995 1.00 0.00 H new ATOM 118 N GLY A 11 -1.629 -4.341 5.434 1.00 0.00 N ATOM 119 CA GLY A 11 -0.914 -5.076 6.460 1.00 0.00 C ATOM 120 C GLY A 11 -0.707 -6.532 6.092 1.00 0.00 C ATOM 121 O GLY A 11 -1.079 -6.962 5.000 1.00 0.00 O ATOM 0 H GLY A 11 -2.576 -4.060 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.055 -4.606 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.467 -5.016 7.397 1.00 0.00 H new ATOM 125 N ARG A 12 -0.112 -7.293 7.005 1.00 0.00 N ATOM 126 CA ARG A 12 0.146 -8.708 6.769 1.00 0.00 C ATOM 127 C ARG A 12 0.872 -8.915 5.444 1.00 0.00 C ATOM 128 O ARG A 12 0.614 -9.882 4.726 1.00 0.00 O ATOM 129 CB ARG A 12 -1.166 -9.495 6.771 1.00 0.00 C ATOM 130 CG ARG A 12 -1.674 -9.829 8.165 1.00 0.00 C ATOM 131 CD ARG A 12 -1.548 -11.315 8.462 1.00 0.00 C ATOM 132 NE ARG A 12 -2.580 -11.778 9.385 1.00 0.00 N ATOM 133 CZ ARG A 12 -3.846 -11.973 9.035 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.235 -11.745 7.787 1.00 0.00 N ATOM 135 NH2 ARG A 12 -4.728 -12.395 9.931 1.00 0.00 N ATOM 0 H ARG A 12 0.200 -6.953 7.915 1.00 0.00 H new ATOM 0 HA ARG A 12 0.783 -9.074 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.927 -8.918 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.025 -10.421 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.111 -9.260 8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.717 -9.526 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.616 -11.878 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.565 -11.518 8.886 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.314 -11.962 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.561 -11.419 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.208 -11.896 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.435 -12.571 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.700 -12.544 9.659 1.00 0.00 H new ATOM 149 N CYS A 13 1.783 -8.001 5.125 1.00 0.00 N ATOM 150 CA CYS A 13 2.547 -8.082 3.886 1.00 0.00 C ATOM 151 C CYS A 13 3.855 -8.837 4.101 1.00 0.00 C ATOM 152 O CYS A 13 4.094 -9.393 5.174 1.00 0.00 O ATOM 153 CB CYS A 13 2.836 -6.680 3.348 1.00 0.00 C ATOM 154 SG CYS A 13 2.132 -6.356 1.714 1.00 0.00 S ATOM 0 H CYS A 13 2.010 -7.195 5.708 1.00 0.00 H new ATOM 0 HA CYS A 13 1.950 -8.628 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.446 -5.945 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.915 -6.536 3.302 1.00 0.00 H new ATOM 0 HG CYS A 13 2.409 -7.346 0.918 1.00 0.00 H new ATOM 160 N THR A 14 4.698 -8.855 3.074 1.00 0.00 N ATOM 161 CA THR A 14 5.981 -9.544 3.149 1.00 0.00 C ATOM 162 C THR A 14 7.046 -8.811 2.344 1.00 0.00 C ATOM 163 O THR A 14 6.871 -8.552 1.154 1.00 0.00 O ATOM 164 CB THR A 14 5.870 -10.992 2.637 1.00 0.00 C ATOM 165 OG1 THR A 14 5.400 -10.999 1.285 1.00 0.00 O ATOM 166 CG2 THR A 14 4.928 -11.806 3.512 1.00 0.00 C ATOM 0 H THR A 14 4.516 -8.400 2.179 1.00 0.00 H new ATOM 0 HA THR A 14 6.272 -9.559 4.199 1.00 0.00 H new ATOM 0 HB THR A 14 6.860 -11.445 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.783 -10.237 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.866 -12.825 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.305 -11.824 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.937 -11.353 3.499 1.00 0.00 H new ATOM 174 N GLY A 15 8.154 -8.478 3.000 1.00 0.00 N ATOM 175 CA GLY A 15 9.234 -7.778 2.328 1.00 0.00 C ATOM 176 C GLY A 15 9.425 -8.245 0.899 1.00 0.00 C ATOM 177 O GLY A 15 9.660 -7.436 0.001 1.00 0.00 O ATOM 0 H GLY A 15 8.323 -8.681 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.028 -6.708 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.160 -7.927 2.883 1.00 0.00 H new ATOM 181 N ASP A 16 9.326 -9.553 0.686 1.00 0.00 N ATOM 182 CA ASP A 16 9.492 -10.126 -0.643 1.00 0.00 C ATOM 183 C ASP A 16 8.716 -9.321 -1.683 1.00 0.00 C ATOM 184 O ASP A 16 9.297 -8.781 -2.623 1.00 0.00 O ATOM 185 CB ASP A 16 9.024 -11.583 -0.657 1.00 0.00 C ATOM 186 CG ASP A 16 10.166 -12.554 -0.889 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.024 -12.266 -1.749 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.200 -13.602 -0.211 1.00 0.00 O ATOM 0 H ASP A 16 9.131 -10.236 1.418 1.00 0.00 H new ATOM 0 HA ASP A 16 10.551 -10.090 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.540 -11.816 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.275 -11.714 -1.438 1.00 0.00 H new ATOM 193 N MET A 17 7.401 -9.249 -1.506 1.00 0.00 N ATOM 194 CA MET A 17 6.546 -8.510 -2.428 1.00 0.00 C ATOM 195 C MET A 17 7.189 -7.184 -2.822 1.00 0.00 C ATOM 196 O MET A 17 7.945 -6.595 -2.049 1.00 0.00 O ATOM 197 CB MET A 17 5.175 -8.259 -1.796 1.00 0.00 C ATOM 198 CG MET A 17 4.342 -9.518 -1.630 1.00 0.00 C ATOM 199 SD MET A 17 2.813 -9.226 -0.722 1.00 0.00 S ATOM 200 CE MET A 17 2.340 -10.902 -0.303 1.00 0.00 C ATOM 0 H MET A 17 6.904 -9.693 -0.733 1.00 0.00 H new ATOM 0 HA MET A 17 6.418 -9.112 -3.328 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.314 -7.794 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.625 -7.548 -2.412 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.104 -9.923 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.931 -10.272 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.437 -11.173 -0.850 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.145 -11.585 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.150 -10.969 0.768 1.00 0.00 H new ATOM 210 N THR A 18 6.883 -6.719 -4.028 1.00 0.00 N ATOM 211 CA THR A 18 7.433 -5.463 -4.525 1.00 0.00 C ATOM 212 C THR A 18 6.325 -4.527 -4.994 1.00 0.00 C ATOM 213 O THR A 18 5.330 -4.966 -5.567 1.00 0.00 O ATOM 214 CB THR A 18 8.415 -5.701 -5.687 1.00 0.00 C ATOM 215 OG1 THR A 18 7.982 -6.816 -6.475 1.00 0.00 O ATOM 216 CG2 THR A 18 9.820 -5.958 -5.165 1.00 0.00 C ATOM 0 H THR A 18 6.257 -7.193 -4.680 1.00 0.00 H new ATOM 0 HA THR A 18 7.969 -5.001 -3.696 1.00 0.00 H new ATOM 0 HB THR A 18 8.433 -4.804 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.611 -6.959 -7.213 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.495 -6.123 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.158 -5.095 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.815 -6.840 -4.525 1.00 0.00 H new ATOM 224 N GLU A 19 6.507 -3.233 -4.746 1.00 0.00 N ATOM 225 CA GLU A 19 5.521 -2.234 -5.143 1.00 0.00 C ATOM 226 C GLU A 19 4.855 -2.621 -6.461 1.00 0.00 C ATOM 227 O GLU A 19 3.641 -2.489 -6.616 1.00 0.00 O ATOM 228 CB GLU A 19 6.181 -0.860 -5.277 1.00 0.00 C ATOM 229 CG GLU A 19 6.936 -0.423 -4.033 1.00 0.00 C ATOM 230 CD GLU A 19 8.405 -0.167 -4.302 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.712 0.773 -5.066 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.248 -0.905 -3.750 1.00 0.00 O ATOM 0 H GLU A 19 7.327 -2.853 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 19 4.755 -2.188 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.869 -0.878 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.415 -0.119 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.480 0.484 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.840 -1.191 -3.266 1.00 0.00 H new ATOM 239 N ASP A 20 5.658 -3.099 -7.405 1.00 0.00 N ATOM 240 CA ASP A 20 5.147 -3.507 -8.709 1.00 0.00 C ATOM 241 C ASP A 20 4.078 -4.586 -8.561 1.00 0.00 C ATOM 242 O ASP A 20 2.943 -4.411 -9.001 1.00 0.00 O ATOM 243 CB ASP A 20 6.287 -4.018 -9.590 1.00 0.00 C ATOM 244 CG ASP A 20 7.183 -2.899 -10.085 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.865 -2.305 -11.137 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.201 -2.616 -9.421 1.00 0.00 O ATOM 0 H ASP A 20 6.665 -3.214 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 20 4.695 -2.636 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.884 -4.735 -9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.871 -4.551 -10.445 1.00 0.00 H new ATOM 251 N GLU A 21 4.453 -5.700 -7.940 1.00 0.00 N ATOM 252 CA GLU A 21 3.526 -6.808 -7.737 1.00 0.00 C ATOM 253 C GLU A 21 2.158 -6.298 -7.291 1.00 0.00 C ATOM 254 O GLU A 21 1.156 -6.493 -7.980 1.00 0.00 O ATOM 255 CB GLU A 21 4.083 -7.784 -6.698 1.00 0.00 C ATOM 256 CG GLU A 21 5.416 -8.396 -7.091 1.00 0.00 C ATOM 257 CD GLU A 21 5.294 -9.854 -7.489 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.811 -10.655 -6.661 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.682 -10.194 -8.626 1.00 0.00 O ATOM 0 H GLU A 21 5.390 -5.859 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 21 3.408 -7.329 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.198 -7.263 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.359 -8.583 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.840 -7.831 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.112 -8.308 -6.257 1.00 0.00 H new ATOM 266 N LEU A 22 2.125 -5.646 -6.134 1.00 0.00 N ATOM 267 CA LEU A 22 0.881 -5.108 -5.595 1.00 0.00 C ATOM 268 C LEU A 22 0.246 -4.122 -6.569 1.00 0.00 C ATOM 269 O LEU A 22 -0.968 -4.130 -6.773 1.00 0.00 O ATOM 270 CB LEU A 22 1.140 -4.422 -4.252 1.00 0.00 C ATOM 271 CG LEU A 22 1.426 -5.348 -3.069 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.366 -4.676 -2.081 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.129 -5.755 -2.384 1.00 0.00 C ATOM 0 H LEU A 22 2.945 -5.477 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 22 0.190 -5.937 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.986 -3.745 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.273 -3.809 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 22 1.912 -6.248 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.558 -5.350 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.306 -4.437 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.909 -3.759 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.352 -6.414 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.385 -4.865 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.510 -6.278 -3.096 1.00 0.00 H new ATOM 285 N ARG A 23 1.075 -3.275 -7.169 1.00 0.00 N ATOM 286 CA ARG A 23 0.595 -2.282 -8.124 1.00 0.00 C ATOM 287 C ARG A 23 -0.195 -2.947 -9.248 1.00 0.00 C ATOM 288 O ARG A 23 -1.159 -2.380 -9.760 1.00 0.00 O ATOM 289 CB ARG A 23 1.769 -1.495 -8.708 1.00 0.00 C ATOM 290 CG ARG A 23 1.344 -0.315 -9.566 1.00 0.00 C ATOM 291 CD ARG A 23 2.294 0.862 -9.405 1.00 0.00 C ATOM 292 NE ARG A 23 2.430 1.628 -10.640 1.00 0.00 N ATOM 293 CZ ARG A 23 3.267 1.303 -11.619 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.039 0.230 -11.507 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.334 2.051 -12.714 1.00 0.00 N ATOM 0 H ARG A 23 2.083 -3.256 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.066 -1.595 -7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.395 -1.133 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.383 -2.167 -9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.312 -0.618 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.334 -0.009 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.931 1.515 -8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.273 0.498 -9.095 1.00 0.00 H new ATOM 0 HE ARG A 23 1.850 2.459 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.991 -0.348 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.681 -0.017 -12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.742 2.877 -12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.977 1.800 -13.465 1.00 0.00 H new ATOM 309 N GLU A 24 0.222 -4.152 -9.625 1.00 0.00 N ATOM 310 CA GLU A 24 -0.447 -4.892 -10.689 1.00 0.00 C ATOM 311 C GLU A 24 -1.677 -5.619 -10.155 1.00 0.00 C ATOM 312 O GLU A 24 -2.747 -5.580 -10.762 1.00 0.00 O ATOM 313 CB GLU A 24 0.517 -5.896 -11.325 1.00 0.00 C ATOM 314 CG GLU A 24 0.636 -5.753 -12.833 1.00 0.00 C ATOM 315 CD GLU A 24 1.210 -6.991 -13.493 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.406 -7.281 -13.276 1.00 0.00 O ATOM 317 OE2 GLU A 24 0.464 -7.671 -14.227 1.00 0.00 O ATOM 0 H GLU A 24 1.018 -4.636 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.769 -4.178 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.503 -5.773 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.184 -6.907 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.348 -5.545 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.269 -4.896 -13.064 1.00 0.00 H new ATOM 324 N PHE A 25 -1.516 -6.284 -9.016 1.00 0.00 N ATOM 325 CA PHE A 25 -2.614 -7.022 -8.400 1.00 0.00 C ATOM 326 C PHE A 25 -3.811 -6.110 -8.151 1.00 0.00 C ATOM 327 O PHE A 25 -4.962 -6.531 -8.276 1.00 0.00 O ATOM 328 CB PHE A 25 -2.156 -7.652 -7.083 1.00 0.00 C ATOM 329 CG PHE A 25 -3.220 -8.469 -6.407 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.092 -7.885 -5.504 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.348 -9.822 -6.677 1.00 0.00 C ATOM 332 CE1 PHE A 25 -5.073 -8.633 -4.881 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.327 -10.577 -6.058 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.189 -9.982 -5.157 1.00 0.00 C ATOM 0 H PHE A 25 -0.637 -6.327 -8.501 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.919 -7.812 -9.087 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.290 -8.285 -7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.830 -6.862 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.004 -6.831 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.675 -10.292 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.748 -8.164 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.418 -11.630 -6.278 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.952 -10.570 -4.669 1.00 0.00 H new ATOM 344 N PHE A 26 -3.532 -4.860 -7.799 1.00 0.00 N ATOM 345 CA PHE A 26 -4.586 -3.888 -7.531 1.00 0.00 C ATOM 346 C PHE A 26 -4.998 -3.166 -8.811 1.00 0.00 C ATOM 347 O PHE A 26 -5.912 -2.341 -8.804 1.00 0.00 O ATOM 348 CB PHE A 26 -4.119 -2.873 -6.486 1.00 0.00 C ATOM 349 CG PHE A 26 -4.093 -3.420 -5.088 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.267 -3.793 -4.454 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.894 -3.560 -4.406 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.247 -4.298 -3.167 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.868 -4.065 -3.120 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.046 -4.432 -2.499 1.00 0.00 C ATOM 0 H PHE A 26 -2.585 -4.496 -7.693 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.452 -4.425 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.120 -2.525 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.777 -2.005 -6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.209 -3.688 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.970 -3.271 -4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.169 -4.587 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.927 -4.173 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.028 -4.823 -1.492 1.00 0.00 H new ATOM 364 N SER A 27 -4.315 -3.482 -9.907 1.00 0.00 N ATOM 365 CA SER A 27 -4.606 -2.860 -11.194 1.00 0.00 C ATOM 366 C SER A 27 -5.915 -3.392 -11.770 1.00 0.00 C ATOM 367 O SER A 27 -6.559 -2.732 -12.585 1.00 0.00 O ATOM 368 CB SER A 27 -3.462 -3.114 -12.177 1.00 0.00 C ATOM 369 OG SER A 27 -3.596 -4.380 -12.799 1.00 0.00 O ATOM 0 H SER A 27 -3.557 -4.164 -9.930 1.00 0.00 H new ATOM 0 HA SER A 27 -4.708 -1.786 -11.037 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.450 -2.332 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.508 -3.063 -11.651 1.00 0.00 H new ATOM 0 HG SER A 27 -3.544 -5.085 -12.120 1.00 0.00 H new ATOM 375 N GLN A 28 -6.299 -4.590 -11.341 1.00 0.00 N ATOM 376 CA GLN A 28 -7.530 -5.211 -11.815 1.00 0.00 C ATOM 377 C GLN A 28 -8.739 -4.668 -11.061 1.00 0.00 C ATOM 378 O GLN A 28 -9.883 -4.883 -11.463 1.00 0.00 O ATOM 379 CB GLN A 28 -7.455 -6.730 -11.655 1.00 0.00 C ATOM 380 CG GLN A 28 -6.873 -7.173 -10.322 1.00 0.00 C ATOM 381 CD GLN A 28 -7.093 -8.649 -10.051 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.194 -9.168 -10.231 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.041 -9.333 -9.616 1.00 0.00 N ATOM 0 H GLN A 28 -5.776 -5.149 -10.667 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.645 -4.969 -12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.456 -7.148 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.849 -7.143 -12.462 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.804 -6.960 -10.308 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.325 -6.589 -9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.147 -8.862 -9.481 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.127 -10.330 -9.417 1.00 0.00 H new ATOM 392 N TYR A 29 -8.480 -3.964 -9.964 1.00 0.00 N ATOM 393 CA TYR A 29 -9.547 -3.393 -9.151 1.00 0.00 C ATOM 394 C TYR A 29 -9.876 -1.974 -9.604 1.00 0.00 C ATOM 395 O TYR A 29 -11.042 -1.618 -9.771 1.00 0.00 O ATOM 396 CB TYR A 29 -9.146 -3.390 -7.674 1.00 0.00 C ATOM 397 CG TYR A 29 -9.088 -4.770 -7.060 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.982 -5.590 -7.248 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.139 -5.254 -6.291 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.925 -6.852 -6.690 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.090 -6.514 -5.728 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.981 -7.309 -5.929 1.00 0.00 C ATOM 403 OH TYR A 29 -8.929 -8.565 -5.370 1.00 0.00 O ATOM 0 H TYR A 29 -7.539 -3.775 -9.618 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.436 -4.011 -9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.170 -2.915 -7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.857 -2.782 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.152 -5.234 -7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.009 -4.634 -6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.059 -7.477 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.916 -6.875 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.997 -8.801 -5.182 1.00 0.00 H new ATOM 413 N GLY A 30 -8.838 -1.166 -9.800 1.00 0.00 N ATOM 414 CA GLY A 30 -9.036 0.205 -10.232 1.00 0.00 C ATOM 415 C GLY A 30 -7.747 0.862 -10.683 1.00 0.00 C ATOM 416 O GLY A 30 -6.695 0.224 -10.719 1.00 0.00 O ATOM 0 H GLY A 30 -7.864 -1.437 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.756 0.225 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.467 0.782 -9.414 1.00 0.00 H new ATOM 420 N ASP A 31 -7.828 2.142 -11.031 1.00 0.00 N ATOM 421 CA ASP A 31 -6.659 2.887 -11.484 1.00 0.00 C ATOM 422 C ASP A 31 -5.754 3.243 -10.309 1.00 0.00 C ATOM 423 O ASP A 31 -5.744 4.383 -9.843 1.00 0.00 O ATOM 424 CB ASP A 31 -7.090 4.158 -12.217 1.00 0.00 C ATOM 425 CG ASP A 31 -6.782 4.104 -13.700 1.00 0.00 C ATOM 426 OD1 ASP A 31 -5.666 3.674 -14.059 1.00 0.00 O ATOM 427 OD2 ASP A 31 -7.657 4.492 -14.502 1.00 0.00 O ATOM 0 H ASP A 31 -8.691 2.685 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.099 2.254 -12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.160 4.310 -12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.586 5.017 -11.775 1.00 0.00 H new ATOM 432 N VAL A 32 -4.995 2.261 -9.832 1.00 0.00 N ATOM 433 CA VAL A 32 -4.087 2.472 -8.712 1.00 0.00 C ATOM 434 C VAL A 32 -3.015 3.498 -9.059 1.00 0.00 C ATOM 435 O VAL A 32 -2.025 3.179 -9.718 1.00 0.00 O ATOM 436 CB VAL A 32 -3.406 1.157 -8.287 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.696 0.517 -9.471 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.434 1.406 -7.144 1.00 0.00 C ATOM 0 H VAL A 32 -4.992 1.311 -10.204 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.688 2.846 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.174 0.467 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.221 -0.411 -9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.420 0.302 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.938 1.200 -9.853 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.962 0.466 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.669 2.113 -7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.973 1.817 -6.291 1.00 0.00 H new ATOM 448 N MET A 33 -3.218 4.732 -8.611 1.00 0.00 N ATOM 449 CA MET A 33 -2.266 5.806 -8.872 1.00 0.00 C ATOM 450 C MET A 33 -0.831 5.304 -8.746 1.00 0.00 C ATOM 451 O MET A 33 -0.078 5.297 -9.721 1.00 0.00 O ATOM 452 CB MET A 33 -2.498 6.969 -7.906 1.00 0.00 C ATOM 453 CG MET A 33 -3.178 8.167 -8.549 1.00 0.00 C ATOM 454 SD MET A 33 -3.160 9.627 -7.491 1.00 0.00 S ATOM 455 CE MET A 33 -4.371 9.165 -6.255 1.00 0.00 C ATOM 0 H MET A 33 -4.033 5.014 -8.066 1.00 0.00 H new ATOM 0 HA MET A 33 -2.422 6.155 -9.893 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.106 6.621 -7.071 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.540 7.284 -7.493 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.681 8.400 -9.491 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.210 7.909 -8.788 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.073 9.565 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.345 9.570 -6.530 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.434 8.078 -6.195 1.00 0.00 H new ATOM 465 N ASP A 34 -0.459 4.886 -7.542 1.00 0.00 N ATOM 466 CA ASP A 34 0.886 4.381 -7.290 1.00 0.00 C ATOM 467 C ASP A 34 0.956 3.674 -5.939 1.00 0.00 C ATOM 468 O ASP A 34 0.020 3.740 -5.143 1.00 0.00 O ATOM 469 CB ASP A 34 1.899 5.525 -7.333 1.00 0.00 C ATOM 470 CG ASP A 34 2.963 5.315 -8.394 1.00 0.00 C ATOM 471 OD1 ASP A 34 2.596 5.103 -9.568 1.00 0.00 O ATOM 472 OD2 ASP A 34 4.163 5.362 -8.048 1.00 0.00 O ATOM 0 H ASP A 34 -1.069 4.887 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 34 1.130 3.660 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.377 6.462 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.376 5.621 -6.358 1.00 0.00 H new ATOM 477 N VAL A 35 2.072 2.998 -5.689 1.00 0.00 N ATOM 478 CA VAL A 35 2.266 2.279 -4.434 1.00 0.00 C ATOM 479 C VAL A 35 3.644 2.561 -3.846 1.00 0.00 C ATOM 480 O VAL A 35 4.667 2.253 -4.457 1.00 0.00 O ATOM 481 CB VAL A 35 2.103 0.760 -4.628 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.347 0.025 -3.319 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.723 0.438 -5.181 1.00 0.00 C ATOM 0 H VAL A 35 2.856 2.933 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 35 1.501 2.634 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 35 2.846 0.422 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.227 -1.047 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.359 0.230 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.630 0.365 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.626 -0.640 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.039 0.789 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.592 0.933 -6.143 1.00 0.00 H new ATOM 493 N PHE A 36 3.663 3.149 -2.654 1.00 0.00 N ATOM 494 CA PHE A 36 4.915 3.473 -1.982 1.00 0.00 C ATOM 495 C PHE A 36 5.053 2.688 -0.681 1.00 0.00 C ATOM 496 O PHE A 36 4.059 2.364 -0.031 1.00 0.00 O ATOM 497 CB PHE A 36 4.991 4.975 -1.695 1.00 0.00 C ATOM 498 CG PHE A 36 6.059 5.343 -0.705 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.389 5.394 -1.089 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.733 5.638 0.608 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.375 5.733 -0.180 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.713 5.978 1.521 1.00 0.00 C ATOM 503 CZ PHE A 36 8.036 6.024 1.126 1.00 0.00 C ATOM 0 H PHE A 36 2.825 3.411 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 36 5.736 3.194 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.174 5.506 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.026 5.314 -1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.659 5.167 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.700 5.602 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.408 5.770 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.445 6.207 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.804 6.287 1.838 1.00 0.00 H new ATOM 513 N ILE A 37 6.292 2.386 -0.308 1.00 0.00 N ATOM 514 CA ILE A 37 6.561 1.640 0.915 1.00 0.00 C ATOM 515 C ILE A 37 7.241 2.521 1.958 1.00 0.00 C ATOM 516 O ILE A 37 8.459 2.704 1.952 1.00 0.00 O ATOM 517 CB ILE A 37 7.447 0.410 0.641 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.644 -0.672 -0.085 1.00 0.00 C ATOM 519 CG2 ILE A 37 8.020 -0.131 1.942 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.507 -1.739 -0.721 1.00 0.00 C ATOM 0 H ILE A 37 7.125 2.646 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 37 5.597 1.305 1.299 1.00 0.00 H new ATOM 0 HB ILE A 37 8.276 0.713 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.961 -1.142 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.032 -0.204 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.644 -1.000 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.622 0.640 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.205 -0.421 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.872 -2.473 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.172 -1.281 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.100 -2.234 0.048 1.00 0.00 H new ATOM 532 N PRO A 38 6.439 3.076 2.877 1.00 0.00 N ATOM 533 CA PRO A 38 6.943 3.945 3.946 1.00 0.00 C ATOM 534 C PRO A 38 7.759 3.177 4.980 1.00 0.00 C ATOM 535 O PRO A 38 7.289 2.193 5.552 1.00 0.00 O ATOM 536 CB PRO A 38 5.666 4.503 4.579 1.00 0.00 C ATOM 537 CG PRO A 38 4.619 3.486 4.283 1.00 0.00 C ATOM 538 CD PRO A 38 4.979 2.900 2.945 1.00 0.00 C ATOM 0 HA PRO A 38 7.617 4.712 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.787 4.646 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.406 5.473 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.595 2.715 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.629 3.941 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.697 1.849 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.473 3.418 2.130 1.00 0.00 H new ATOM 546 N LYS A 39 8.984 3.634 5.217 1.00 0.00 N ATOM 547 CA LYS A 39 9.867 2.992 6.184 1.00 0.00 C ATOM 548 C LYS A 39 9.746 3.653 7.553 1.00 0.00 C ATOM 549 O LYS A 39 9.402 4.829 7.674 1.00 0.00 O ATOM 550 CB LYS A 39 11.318 3.056 5.702 1.00 0.00 C ATOM 551 CG LYS A 39 11.582 2.225 4.457 1.00 0.00 C ATOM 552 CD LYS A 39 11.889 0.779 4.806 1.00 0.00 C ATOM 553 CE LYS A 39 12.491 0.036 3.624 1.00 0.00 C ATOM 554 NZ LYS A 39 13.848 0.547 3.281 1.00 0.00 N ATOM 0 H LYS A 39 9.388 4.447 4.752 1.00 0.00 H new ATOM 0 HA LYS A 39 9.567 1.948 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.579 4.094 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.974 2.714 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.713 2.265 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.419 2.652 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.580 0.746 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.975 0.278 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.551 -1.027 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.835 0.137 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.358 -0.168 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.759 1.421 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.375 0.746 4.155 1.00 0.00 H new ATOM 568 N PRO A 40 10.037 2.882 8.611 1.00 0.00 N ATOM 569 CA PRO A 40 10.447 1.481 8.480 1.00 0.00 C ATOM 570 C PRO A 40 9.305 0.583 8.017 1.00 0.00 C ATOM 571 O PRO A 40 8.165 0.734 8.457 1.00 0.00 O ATOM 572 CB PRO A 40 10.880 1.104 9.900 1.00 0.00 C ATOM 573 CG PRO A 40 10.125 2.033 10.785 1.00 0.00 C ATOM 574 CD PRO A 40 9.986 3.318 10.017 1.00 0.00 C ATOM 0 HA PRO A 40 11.230 1.354 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.643 0.064 10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.956 1.220 10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.148 1.622 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.655 2.195 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.049 3.824 10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.791 4.015 10.251 1.00 0.00 H new ATOM 582 N PHE A 41 9.618 -0.351 7.124 1.00 0.00 N ATOM 583 CA PHE A 41 8.618 -1.273 6.600 1.00 0.00 C ATOM 584 C PHE A 41 8.352 -2.406 7.588 1.00 0.00 C ATOM 585 O PHE A 41 9.243 -3.197 7.894 1.00 0.00 O ATOM 586 CB PHE A 41 9.076 -1.848 5.258 1.00 0.00 C ATOM 587 CG PHE A 41 8.418 -3.152 4.908 1.00 0.00 C ATOM 588 CD1 PHE A 41 8.898 -4.346 5.422 1.00 0.00 C ATOM 589 CD2 PHE A 41 7.318 -3.183 4.066 1.00 0.00 C ATOM 590 CE1 PHE A 41 8.296 -5.547 5.101 1.00 0.00 C ATOM 591 CE2 PHE A 41 6.710 -4.382 3.741 1.00 0.00 C ATOM 592 CZ PHE A 41 7.199 -5.565 4.260 1.00 0.00 C ATOM 0 H PHE A 41 10.556 -0.489 6.749 1.00 0.00 H new ATOM 0 HA PHE A 41 7.691 -0.718 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.868 -1.123 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.156 -1.991 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.753 -4.337 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.931 -2.261 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.682 -6.471 5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.854 -4.393 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.725 -6.502 4.009 1.00 0.00 H new ATOM 602 N ARG A 42 7.120 -2.476 8.081 1.00 0.00 N ATOM 603 CA ARG A 42 6.736 -3.509 9.034 1.00 0.00 C ATOM 604 C ARG A 42 5.547 -4.313 8.515 1.00 0.00 C ATOM 605 O ARG A 42 4.402 -4.057 8.888 1.00 0.00 O ATOM 606 CB ARG A 42 6.391 -2.883 10.386 1.00 0.00 C ATOM 607 CG ARG A 42 7.588 -2.732 11.310 1.00 0.00 C ATOM 608 CD ARG A 42 8.499 -1.601 10.860 1.00 0.00 C ATOM 609 NE ARG A 42 9.897 -2.019 10.796 1.00 0.00 N ATOM 610 CZ ARG A 42 10.711 -2.026 11.846 1.00 0.00 C ATOM 611 NH1 ARG A 42 10.268 -1.641 13.034 1.00 0.00 N ATOM 612 NH2 ARG A 42 11.971 -2.419 11.708 1.00 0.00 N ATOM 0 H ARG A 42 6.371 -1.829 7.836 1.00 0.00 H new ATOM 0 HA ARG A 42 7.582 -4.184 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.945 -1.902 10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.637 -3.497 10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.243 -2.541 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.150 -3.666 11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.181 -1.247 9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.402 -0.762 11.549 1.00 0.00 H new ATOM 0 HE ARG A 42 10.269 -2.322 9.896 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.300 -1.338 13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.895 -1.647 13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.315 -2.716 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.595 -2.424 12.515 1.00 0.00 H new ATOM 626 N ALA A 43 5.827 -5.285 7.654 1.00 0.00 N ATOM 627 CA ALA A 43 4.782 -6.128 7.085 1.00 0.00 C ATOM 628 C ALA A 43 3.573 -5.296 6.670 1.00 0.00 C ATOM 629 O ALA A 43 2.430 -5.737 6.798 1.00 0.00 O ATOM 630 CB ALA A 43 4.370 -7.202 8.080 1.00 0.00 C ATOM 0 H ALA A 43 6.769 -5.509 7.335 1.00 0.00 H new ATOM 0 HA ALA A 43 5.183 -6.610 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.589 -7.824 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.233 -7.822 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.992 -6.731 8.988 1.00 0.00 H new ATOM 636 N PHE A 44 3.831 -4.091 6.172 1.00 0.00 N ATOM 637 CA PHE A 44 2.763 -3.197 5.741 1.00 0.00 C ATOM 638 C PHE A 44 3.282 -2.179 4.730 1.00 0.00 C ATOM 639 O PHE A 44 4.440 -1.768 4.785 1.00 0.00 O ATOM 640 CB PHE A 44 2.157 -2.474 6.944 1.00 0.00 C ATOM 641 CG PHE A 44 2.798 -1.146 7.232 1.00 0.00 C ATOM 642 CD1 PHE A 44 4.031 -1.079 7.860 1.00 0.00 C ATOM 643 CD2 PHE A 44 2.167 0.035 6.873 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.623 0.141 8.125 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.754 1.258 7.136 1.00 0.00 C ATOM 646 CZ PHE A 44 3.984 1.311 7.762 1.00 0.00 C ATOM 0 H PHE A 44 4.771 -3.711 6.057 1.00 0.00 H new ATOM 0 HA PHE A 44 1.991 -3.799 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.092 -2.324 6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.248 -3.111 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.535 -1.990 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.206 -0.001 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.584 0.180 8.615 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.252 2.171 6.852 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.446 2.266 7.967 1.00 0.00 H new ATOM 656 N ALA A 45 2.415 -1.777 3.806 1.00 0.00 N ATOM 657 CA ALA A 45 2.784 -0.806 2.782 1.00 0.00 C ATOM 658 C ALA A 45 1.664 0.203 2.553 1.00 0.00 C ATOM 659 O ALA A 45 0.541 0.014 3.019 1.00 0.00 O ATOM 660 CB ALA A 45 3.132 -1.517 1.482 1.00 0.00 C ATOM 0 H ALA A 45 1.452 -2.109 3.745 1.00 0.00 H new ATOM 0 HA ALA A 45 3.661 -0.261 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.405 -0.781 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.970 -2.193 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.270 -2.087 1.137 1.00 0.00 H new ATOM 666 N PHE A 46 1.978 1.275 1.834 1.00 0.00 N ATOM 667 CA PHE A 46 0.999 2.315 1.545 1.00 0.00 C ATOM 668 C PHE A 46 0.640 2.328 0.062 1.00 0.00 C ATOM 669 O PHE A 46 1.510 2.462 -0.798 1.00 0.00 O ATOM 670 CB PHE A 46 1.539 3.684 1.962 1.00 0.00 C ATOM 671 CG PHE A 46 0.559 4.804 1.756 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.526 4.959 2.604 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.722 5.703 0.713 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.429 5.987 2.416 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.178 6.733 0.521 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.255 6.876 1.374 1.00 0.00 C ATOM 0 H PHE A 46 2.903 1.446 1.441 1.00 0.00 H new ATOM 0 HA PHE A 46 0.097 2.098 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.822 3.649 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.445 3.896 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.667 4.268 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.562 5.597 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.271 6.095 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.040 7.426 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.959 7.681 1.226 1.00 0.00 H new ATOM 686 N VAL A 47 -0.649 2.186 -0.230 1.00 0.00 N ATOM 687 CA VAL A 47 -1.125 2.181 -1.609 1.00 0.00 C ATOM 688 C VAL A 47 -2.049 3.364 -1.876 1.00 0.00 C ATOM 689 O VAL A 47 -2.862 3.734 -1.028 1.00 0.00 O ATOM 690 CB VAL A 47 -1.871 0.875 -1.940 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.297 0.859 -3.400 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.002 -0.331 -1.617 1.00 0.00 C ATOM 0 H VAL A 47 -1.383 2.073 0.470 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.246 2.260 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.769 0.823 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.823 -0.071 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.958 1.703 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.416 0.934 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.545 -1.245 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.086 -0.288 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.752 -0.325 -0.556 1.00 0.00 H new ATOM 702 N THR A 48 -1.921 3.953 -3.060 1.00 0.00 N ATOM 703 CA THR A 48 -2.744 5.095 -3.439 1.00 0.00 C ATOM 704 C THR A 48 -3.600 4.774 -4.658 1.00 0.00 C ATOM 705 O THR A 48 -3.165 4.065 -5.565 1.00 0.00 O ATOM 706 CB THR A 48 -1.879 6.334 -3.744 1.00 0.00 C ATOM 707 OG1 THR A 48 -1.122 6.699 -2.586 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.748 7.505 -4.179 1.00 0.00 C ATOM 0 H THR A 48 -1.255 3.658 -3.774 1.00 0.00 H new ATOM 0 HA THR A 48 -3.392 5.314 -2.591 1.00 0.00 H new ATOM 0 HB THR A 48 -1.198 6.085 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.500 6.259 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.117 8.368 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.302 7.233 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.449 7.753 -3.382 1.00 0.00 H new ATOM 716 N PHE A 49 -4.819 5.302 -4.674 1.00 0.00 N ATOM 717 CA PHE A 49 -5.738 5.071 -5.783 1.00 0.00 C ATOM 718 C PHE A 49 -6.230 6.392 -6.367 1.00 0.00 C ATOM 719 O PHE A 49 -6.431 7.367 -5.642 1.00 0.00 O ATOM 720 CB PHE A 49 -6.930 4.231 -5.320 1.00 0.00 C ATOM 721 CG PHE A 49 -6.638 2.759 -5.258 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.715 1.976 -6.398 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.288 2.159 -4.059 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.447 0.621 -6.344 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.018 0.804 -4.000 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.099 0.034 -5.144 1.00 0.00 C ATOM 0 H PHE A 49 -5.194 5.893 -3.932 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.199 4.528 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.244 4.573 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.768 4.399 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.987 2.429 -7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.225 2.756 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.510 0.022 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.744 0.348 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.891 -1.025 -5.100 1.00 0.00 H new ATOM 736 N ALA A 50 -6.418 6.418 -7.682 1.00 0.00 N ATOM 737 CA ALA A 50 -6.887 7.617 -8.364 1.00 0.00 C ATOM 738 C ALA A 50 -8.226 8.081 -7.801 1.00 0.00 C ATOM 739 O ALA A 50 -8.627 9.229 -7.993 1.00 0.00 O ATOM 740 CB ALA A 50 -6.999 7.366 -9.859 1.00 0.00 C ATOM 0 H ALA A 50 -6.252 5.621 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.157 8.409 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.351 8.271 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.022 7.091 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.705 6.556 -10.040 1.00 0.00 H new ATOM 746 N ASP A 51 -8.914 7.181 -7.107 1.00 0.00 N ATOM 747 CA ASP A 51 -10.209 7.499 -6.516 1.00 0.00 C ATOM 748 C ASP A 51 -10.267 7.045 -5.061 1.00 0.00 C ATOM 749 O ASP A 51 -9.783 5.967 -4.716 1.00 0.00 O ATOM 750 CB ASP A 51 -11.334 6.838 -7.315 1.00 0.00 C ATOM 751 CG ASP A 51 -12.330 7.845 -7.853 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.961 9.032 -7.987 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.479 7.449 -8.140 1.00 0.00 O ATOM 0 H ASP A 51 -8.597 6.226 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.340 8.581 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.905 6.277 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.854 6.121 -6.680 1.00 0.00 H new ATOM 758 N ASP A 52 -10.864 7.875 -4.212 1.00 0.00 N ATOM 759 CA ASP A 52 -10.986 7.560 -2.793 1.00 0.00 C ATOM 760 C ASP A 52 -12.005 6.446 -2.570 1.00 0.00 C ATOM 761 O ASP A 52 -11.933 5.717 -1.581 1.00 0.00 O ATOM 762 CB ASP A 52 -11.393 8.805 -2.004 1.00 0.00 C ATOM 763 CG ASP A 52 -12.883 9.077 -2.081 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.414 9.159 -3.209 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.517 9.208 -1.014 1.00 0.00 O ATOM 0 H ASP A 52 -11.271 8.771 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.014 7.217 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.102 8.682 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.849 9.668 -2.387 1.00 0.00 H new ATOM 770 N GLN A 53 -12.951 6.322 -3.495 1.00 0.00 N ATOM 771 CA GLN A 53 -13.984 5.298 -3.397 1.00 0.00 C ATOM 772 C GLN A 53 -13.388 3.905 -3.565 1.00 0.00 C ATOM 773 O GLN A 53 -13.835 2.948 -2.932 1.00 0.00 O ATOM 774 CB GLN A 53 -15.066 5.535 -4.452 1.00 0.00 C ATOM 775 CG GLN A 53 -16.129 6.533 -4.022 1.00 0.00 C ATOM 776 CD GLN A 53 -17.475 5.883 -3.773 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.560 4.677 -3.535 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.536 6.679 -3.825 1.00 0.00 N ATOM 0 H GLN A 53 -13.023 6.917 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.432 5.363 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.596 5.891 -5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.546 4.585 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.801 7.039 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.236 7.298 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.419 7.672 -4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.468 6.297 -3.665 1.00 0.00 H new ATOM 787 N ILE A 54 -12.379 3.799 -4.422 1.00 0.00 N ATOM 788 CA ILE A 54 -11.720 2.522 -4.673 1.00 0.00 C ATOM 789 C ILE A 54 -10.981 2.033 -3.433 1.00 0.00 C ATOM 790 O ILE A 54 -11.096 0.869 -3.048 1.00 0.00 O ATOM 791 CB ILE A 54 -10.726 2.622 -5.845 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.463 2.976 -7.138 1.00 0.00 C ATOM 793 CG2 ILE A 54 -9.964 1.315 -6.004 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.552 3.083 -8.341 1.00 0.00 C ATOM 0 H ILE A 54 -11.999 4.582 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.502 1.808 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.009 3.415 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.222 2.219 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.985 3.923 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.265 1.400 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.413 1.101 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.667 0.506 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.141 3.336 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.808 3.860 -8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.049 2.129 -8.503 1.00 0.00 H new ATOM 806 N ALA A 55 -10.223 2.929 -2.811 1.00 0.00 N ATOM 807 CA ALA A 55 -9.466 2.589 -1.611 1.00 0.00 C ATOM 808 C ALA A 55 -10.398 2.220 -0.462 1.00 0.00 C ATOM 809 O ALA A 55 -10.178 1.228 0.232 1.00 0.00 O ATOM 810 CB ALA A 55 -8.563 3.746 -1.211 1.00 0.00 C ATOM 0 H ALA A 55 -10.116 3.896 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.846 1.721 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.004 3.478 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.867 3.961 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.170 4.629 -1.010 1.00 0.00 H new ATOM 816 N GLN A 56 -11.437 3.027 -0.265 1.00 0.00 N ATOM 817 CA GLN A 56 -12.400 2.785 0.803 1.00 0.00 C ATOM 818 C GLN A 56 -13.198 1.513 0.537 1.00 0.00 C ATOM 819 O GLN A 56 -13.198 0.588 1.351 1.00 0.00 O ATOM 820 CB GLN A 56 -13.349 3.977 0.941 1.00 0.00 C ATOM 821 CG GLN A 56 -13.134 4.781 2.213 1.00 0.00 C ATOM 822 CD GLN A 56 -13.924 4.236 3.387 1.00 0.00 C ATOM 823 OE1 GLN A 56 -13.364 3.624 4.297 1.00 0.00 O ATOM 824 NE2 GLN A 56 -15.233 4.455 3.373 1.00 0.00 N ATOM 0 H GLN A 56 -11.633 3.853 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.849 2.658 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.222 4.634 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.377 3.617 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.073 4.782 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.421 5.818 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.656 4.967 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.816 4.111 4.136 1.00 0.00 H new ATOM 833 N SER A 57 -13.876 1.473 -0.604 1.00 0.00 N ATOM 834 CA SER A 57 -14.682 0.314 -0.975 1.00 0.00 C ATOM 835 C SER A 57 -13.904 -0.980 -0.760 1.00 0.00 C ATOM 836 O SER A 57 -14.486 -2.030 -0.484 1.00 0.00 O ATOM 837 CB SER A 57 -15.125 0.420 -2.435 1.00 0.00 C ATOM 838 OG SER A 57 -15.977 1.535 -2.630 1.00 0.00 O ATOM 0 H SER A 57 -13.884 2.229 -1.289 1.00 0.00 H new ATOM 0 HA SER A 57 -15.565 0.297 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.250 0.510 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.643 -0.493 -2.728 1.00 0.00 H new ATOM 0 HG SER A 57 -15.457 2.362 -2.549 1.00 0.00 H new ATOM 844 N LEU A 58 -12.584 -0.897 -0.888 1.00 0.00 N ATOM 845 CA LEU A 58 -11.723 -2.061 -0.709 1.00 0.00 C ATOM 846 C LEU A 58 -11.595 -2.421 0.768 1.00 0.00 C ATOM 847 O LEU A 58 -11.670 -3.593 1.141 1.00 0.00 O ATOM 848 CB LEU A 58 -10.340 -1.794 -1.302 1.00 0.00 C ATOM 849 CG LEU A 58 -10.088 -2.357 -2.701 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.855 -1.718 -3.321 1.00 0.00 C ATOM 851 CD2 LEU A 58 -9.938 -3.870 -2.648 1.00 0.00 C ATOM 0 H LEU A 58 -12.087 -0.036 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.178 -2.902 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.182 -0.716 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.591 -2.207 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.948 -2.119 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.692 -2.132 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.002 -0.641 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.986 -1.923 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.759 -4.253 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.097 -4.130 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.850 -4.312 -2.248 1.00 0.00 H new ATOM 863 N CYS A 59 -11.404 -1.407 1.604 1.00 0.00 N ATOM 864 CA CYS A 59 -11.267 -1.616 3.041 1.00 0.00 C ATOM 865 C CYS A 59 -12.257 -2.666 3.534 1.00 0.00 C ATOM 866 O CYS A 59 -13.430 -2.649 3.165 1.00 0.00 O ATOM 867 CB CYS A 59 -11.482 -0.301 3.791 1.00 0.00 C ATOM 868 SG CYS A 59 -10.320 1.007 3.337 1.00 0.00 S ATOM 0 H CYS A 59 -11.340 -0.432 1.312 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.257 -1.976 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.497 0.049 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.401 -0.489 4.862 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.256 1.101 2.042 1.00 0.00 H new ATOM 874 N GLY A 60 -11.775 -3.579 4.372 1.00 0.00 N ATOM 875 CA GLY A 60 -12.631 -4.625 4.901 1.00 0.00 C ATOM 876 C GLY A 60 -12.607 -5.880 4.050 1.00 0.00 C ATOM 877 O GLY A 60 -12.889 -6.974 4.539 1.00 0.00 O ATOM 0 H GLY A 60 -10.808 -3.613 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.315 -4.871 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.654 -4.254 4.967 1.00 0.00 H new ATOM 881 N GLU A 61 -12.271 -5.721 2.774 1.00 0.00 N ATOM 882 CA GLU A 61 -12.214 -6.851 1.854 1.00 0.00 C ATOM 883 C GLU A 61 -10.936 -7.658 2.062 1.00 0.00 C ATOM 884 O GLU A 61 -9.840 -7.101 2.121 1.00 0.00 O ATOM 885 CB GLU A 61 -12.292 -6.362 0.406 1.00 0.00 C ATOM 886 CG GLU A 61 -13.632 -5.745 0.043 1.00 0.00 C ATOM 887 CD GLU A 61 -14.684 -6.786 -0.287 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.340 -7.790 -0.948 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.851 -6.599 0.116 1.00 0.00 O ATOM 0 H GLU A 61 -12.034 -4.822 2.354 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.068 -7.497 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.505 -5.627 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.094 -7.200 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.982 -5.131 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.502 -5.081 -0.812 1.00 0.00 H new ATOM 896 N ASP A 62 -11.087 -8.974 2.171 1.00 0.00 N ATOM 897 CA ASP A 62 -9.945 -9.859 2.372 1.00 0.00 C ATOM 898 C ASP A 62 -9.448 -10.414 1.041 1.00 0.00 C ATOM 899 O ASP A 62 -10.122 -11.223 0.402 1.00 0.00 O ATOM 900 CB ASP A 62 -10.323 -11.008 3.309 1.00 0.00 C ATOM 901 CG ASP A 62 -9.780 -10.815 4.710 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.448 -10.134 5.516 1.00 0.00 O ATOM 903 OD2 ASP A 62 -8.685 -11.342 5.001 1.00 0.00 O ATOM 0 H ASP A 62 -11.988 -9.451 2.124 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.141 -9.279 2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.409 -11.095 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.944 -11.945 2.901 1.00 0.00 H new ATOM 908 N LEU A 63 -8.264 -9.974 0.628 1.00 0.00 N ATOM 909 CA LEU A 63 -7.675 -10.426 -0.628 1.00 0.00 C ATOM 910 C LEU A 63 -6.484 -11.343 -0.372 1.00 0.00 C ATOM 911 O LEU A 63 -5.795 -11.215 0.641 1.00 0.00 O ATOM 912 CB LEU A 63 -7.238 -9.226 -1.470 1.00 0.00 C ATOM 913 CG LEU A 63 -8.064 -7.951 -1.301 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.332 -6.758 -1.894 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.433 -8.113 -1.945 1.00 0.00 C ATOM 0 H LEU A 63 -7.693 -9.305 1.145 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.432 -10.989 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.200 -8.997 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.265 -9.516 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.205 -7.771 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.935 -5.860 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.376 -6.629 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.159 -6.929 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.007 -7.196 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.313 -8.318 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.961 -8.942 -1.473 1.00 0.00 H new ATOM 927 N ILE A 64 -6.246 -12.267 -1.297 1.00 0.00 N ATOM 928 CA ILE A 64 -5.135 -13.204 -1.173 1.00 0.00 C ATOM 929 C ILE A 64 -4.069 -12.934 -2.229 1.00 0.00 C ATOM 930 O ILE A 64 -4.365 -12.875 -3.422 1.00 0.00 O ATOM 931 CB ILE A 64 -5.612 -14.662 -1.300 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.755 -14.936 -0.320 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.456 -15.620 -1.055 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.309 -15.009 1.123 1.00 0.00 C ATOM 0 H ILE A 64 -6.807 -12.387 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.706 -13.057 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.982 -14.821 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.505 -14.152 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.238 -15.875 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.809 -16.647 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.671 -15.438 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.059 -15.462 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.171 -15.206 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.581 -15.812 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.853 -14.062 1.411 1.00 0.00 H new ATOM 946 N ILE A 65 -2.828 -12.776 -1.782 1.00 0.00 N ATOM 947 CA ILE A 65 -1.717 -12.516 -2.689 1.00 0.00 C ATOM 948 C ILE A 65 -0.581 -13.508 -2.465 1.00 0.00 C ATOM 949 O ILE A 65 0.220 -13.355 -1.541 1.00 0.00 O ATOM 950 CB ILE A 65 -1.174 -11.085 -2.519 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.319 -10.072 -2.570 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.142 -10.779 -3.595 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.934 -8.698 -2.068 1.00 0.00 C ATOM 0 H ILE A 65 -2.566 -12.823 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.103 -12.631 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.690 -11.010 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.674 -9.988 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.152 -10.447 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.233 -9.764 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.685 -11.484 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.604 -10.869 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.795 -8.032 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.607 -8.768 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.122 -8.302 -2.678 1.00 0.00 H new ATOM 965 N LYS A 66 -0.515 -14.527 -3.315 1.00 0.00 N ATOM 966 CA LYS A 66 0.524 -15.545 -3.213 1.00 0.00 C ATOM 967 C LYS A 66 0.162 -16.589 -2.163 1.00 0.00 C ATOM 968 O LYS A 66 0.970 -17.455 -1.831 1.00 0.00 O ATOM 969 CB LYS A 66 1.866 -14.898 -2.864 1.00 0.00 C ATOM 970 CG LYS A 66 2.078 -13.543 -3.518 1.00 0.00 C ATOM 971 CD LYS A 66 3.407 -13.480 -4.251 1.00 0.00 C ATOM 972 CE LYS A 66 3.391 -14.332 -5.511 1.00 0.00 C ATOM 973 NZ LYS A 66 3.264 -13.500 -6.740 1.00 0.00 N ATOM 0 H LYS A 66 -1.170 -14.670 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 66 0.607 -16.042 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.934 -14.784 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.672 -15.567 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.266 -13.344 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.043 -12.762 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.630 -12.446 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.204 -13.821 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.307 -14.920 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.561 -15.037 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.573 -14.051 -7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.272 -13.216 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.858 -12.651 -6.648 1.00 0.00 H new ATOM 987 N GLY A 67 -1.059 -16.502 -1.643 1.00 0.00 N ATOM 988 CA GLY A 67 -1.507 -17.446 -0.637 1.00 0.00 C ATOM 989 C GLY A 67 -1.860 -16.772 0.675 1.00 0.00 C ATOM 990 O GLY A 67 -2.801 -17.180 1.356 1.00 0.00 O ATOM 0 H GLY A 67 -1.746 -15.794 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.378 -17.985 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.725 -18.185 -0.463 1.00 0.00 H new ATOM 994 N ILE A 68 -1.103 -15.741 1.030 1.00 0.00 N ATOM 995 CA ILE A 68 -1.340 -15.011 2.270 1.00 0.00 C ATOM 996 C ILE A 68 -2.535 -14.072 2.134 1.00 0.00 C ATOM 997 O ILE A 68 -2.801 -13.541 1.056 1.00 0.00 O ATOM 998 CB ILE A 68 -0.104 -14.192 2.686 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.192 -13.109 1.646 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.100 -15.105 2.867 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.340 -11.745 2.025 1.00 0.00 C ATOM 0 H ILE A 68 -0.320 -15.391 0.477 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.549 -15.754 3.039 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.313 -13.706 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.270 -13.042 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.241 -13.406 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.966 -14.512 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.885 -15.841 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.313 -15.617 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.093 -11.028 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.422 -11.796 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.112 -11.426 2.964 1.00 0.00 H new ATOM 1013 N SER A 69 -3.250 -13.872 3.235 1.00 0.00 N ATOM 1014 CA SER A 69 -4.419 -12.999 3.240 1.00 0.00 C ATOM 1015 C SER A 69 -4.074 -11.632 3.824 1.00 0.00 C ATOM 1016 O SER A 69 -3.576 -11.531 4.945 1.00 0.00 O ATOM 1017 CB SER A 69 -5.555 -13.637 4.042 1.00 0.00 C ATOM 1018 OG SER A 69 -6.811 -13.106 3.659 1.00 0.00 O ATOM 0 H SER A 69 -3.041 -14.302 4.136 1.00 0.00 H new ATOM 0 HA SER A 69 -4.744 -12.863 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.551 -14.716 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.394 -13.466 5.106 1.00 0.00 H new ATOM 0 HG SER A 69 -7.160 -12.540 4.379 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.342 -10.583 3.054 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.063 -9.221 3.494 1.00 0.00 C ATOM 1026 C VAL A 70 -5.349 -8.477 3.831 1.00 0.00 C ATOM 1027 O VAL A 70 -6.391 -8.705 3.216 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.292 -8.431 2.419 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.950 -9.088 2.132 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.121 -8.315 1.148 1.00 0.00 C ATOM 0 H VAL A 70 -4.752 -10.650 2.122 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.447 -9.298 4.390 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.103 -7.426 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.420 -8.516 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.355 -9.115 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.112 -10.105 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.562 -7.754 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.342 -9.311 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.054 -7.796 1.368 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.270 -7.584 4.813 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.429 -6.804 5.232 1.00 0.00 C ATOM 1042 C HIS A 71 -6.280 -5.343 4.817 1.00 0.00 C ATOM 1043 O HIS A 71 -5.372 -4.647 5.275 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.614 -6.899 6.747 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.697 -6.011 7.276 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.890 -6.492 7.771 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.762 -4.663 7.387 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.643 -5.479 8.161 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.981 -4.358 7.940 1.00 0.00 N ATOM 0 H HIS A 71 -4.416 -7.383 5.333 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.310 -7.216 4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.840 -7.932 7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.674 -6.643 7.236 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.151 -7.476 7.827 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.997 -3.959 7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.632 -5.555 8.588 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.175 -4.886 3.948 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.142 -3.508 3.473 1.00 0.00 C ATOM 1059 C ILE A 72 -7.831 -2.570 4.458 1.00 0.00 C ATOM 1060 O ILE A 72 -8.946 -2.834 4.906 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.816 -3.373 2.094 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.342 -4.487 1.159 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.522 -2.008 1.493 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.863 -4.427 0.849 1.00 0.00 C ATOM 0 H ILE A 72 -7.931 -5.449 3.559 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.092 -3.229 3.385 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.894 -3.467 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.571 -5.452 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.903 -4.431 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.005 -1.928 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.905 -1.230 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.445 -1.887 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.598 -5.247 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.630 -3.477 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.293 -4.514 1.774 1.00 0.00 H new ATOM 1076 N SER A 73 -7.159 -1.472 4.789 1.00 0.00 N ATOM 1077 CA SER A 73 -7.705 -0.495 5.723 1.00 0.00 C ATOM 1078 C SER A 73 -7.270 0.918 5.346 1.00 0.00 C ATOM 1079 O SER A 73 -6.340 1.105 4.563 1.00 0.00 O ATOM 1080 CB SER A 73 -7.257 -0.815 7.150 1.00 0.00 C ATOM 1081 OG SER A 73 -8.365 -1.135 7.973 1.00 0.00 O ATOM 0 H SER A 73 -6.236 -1.237 4.424 1.00 0.00 H new ATOM 0 HA SER A 73 -8.792 -0.548 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.557 -1.651 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.725 0.040 7.568 1.00 0.00 H new ATOM 0 HG SER A 73 -8.537 -2.099 7.930 1.00 0.00 H new