USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -143:sc= -0.656 (180deg=-2.52!) USER MOD Single : A 6 SER OG : rot 134:sc= 1.21 USER MOD Single : A 10 SER OG : rot 180:sc= 0.811 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc=-0.00893 (180deg=-0.0929) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.767 -1.968 6.119 1.00 0.00 N ATOM 2 CA LEU A 1 7.396 -1.373 4.834 1.00 0.00 C ATOM 3 C LEU A 1 8.343 -0.231 4.532 1.00 0.00 C ATOM 4 O LEU A 1 9.003 0.270 5.443 1.00 0.00 O ATOM 5 CB LEU A 1 5.950 -0.793 4.857 1.00 0.00 C ATOM 6 CG LEU A 1 4.759 -1.757 4.956 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.649 -2.389 6.324 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.478 -1.032 4.605 1.00 0.00 C ATOM 0 H1 LEU A 1 7.632 -2.998 6.076 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.765 -1.758 6.324 1.00 0.00 H new ATOM 0 H3 LEU A 1 7.168 -1.571 6.871 1.00 0.00 H new ATOM 0 HA LEU A 1 7.449 -2.157 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.886 -0.104 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.819 -0.201 3.951 1.00 0.00 H new ATOM 0 HG LEU A 1 4.927 -2.564 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.792 -3.063 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.558 -2.951 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.517 -1.610 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.638 -1.722 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.328 -0.203 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.545 -0.647 3.587 1.00 0.00 H new ATOM 22 N PRO A 2 8.453 0.191 3.246 1.00 0.00 N ATOM 23 CA PRO A 2 9.222 1.387 2.864 1.00 0.00 C ATOM 24 C PRO A 2 8.581 2.636 3.421 1.00 0.00 C ATOM 25 O PRO A 2 7.505 2.586 4.045 1.00 0.00 O ATOM 26 CB PRO A 2 9.130 1.395 1.330 1.00 0.00 C ATOM 27 CG PRO A 2 7.894 0.634 1.044 1.00 0.00 C ATOM 28 CD PRO A 2 7.878 -0.469 2.057 1.00 0.00 C ATOM 0 HA PRO A 2 10.245 1.367 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.074 2.411 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.002 0.926 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.011 1.266 1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.900 0.238 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.869 -0.836 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.474 -1.324 1.738 1.00 0.00 H new ATOM 36 N ARG A 3 9.208 3.740 3.188 1.00 0.00 N ATOM 37 CA ARG A 3 8.745 4.983 3.703 1.00 0.00 C ATOM 38 C ARG A 3 7.598 5.530 2.862 1.00 0.00 C ATOM 39 O ARG A 3 7.811 6.180 1.825 1.00 0.00 O ATOM 40 CB ARG A 3 9.881 5.969 3.772 1.00 0.00 C ATOM 41 CG ARG A 3 11.065 5.493 4.586 1.00 0.00 C ATOM 42 CD ARG A 3 12.175 6.520 4.569 1.00 0.00 C ATOM 43 NE ARG A 3 12.627 6.819 3.200 1.00 0.00 N ATOM 44 CZ ARG A 3 13.444 7.827 2.867 1.00 0.00 C ATOM 45 NH1 ARG A 3 13.956 8.610 3.807 1.00 0.00 N ATOM 46 NH2 ARG A 3 13.751 8.037 1.594 1.00 0.00 N ATOM 0 H ARG A 3 10.061 3.805 2.632 1.00 0.00 H new ATOM 0 HA ARG A 3 8.365 4.820 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.216 6.192 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.512 6.902 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.754 5.304 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.431 4.548 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.828 7.437 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.017 6.154 5.157 1.00 0.00 H new ATOM 0 HE ARG A 3 12.293 6.214 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.728 8.446 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.578 9.376 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.365 7.431 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.373 8.804 1.339 1.00 0.00 H new ATOM 60 N CYS A 4 6.400 5.189 3.269 1.00 0.00 N ATOM 61 CA CYS A 4 5.184 5.648 2.632 1.00 0.00 C ATOM 62 C CYS A 4 4.247 6.265 3.673 1.00 0.00 C ATOM 63 O CYS A 4 3.140 6.686 3.347 1.00 0.00 O ATOM 64 CB CYS A 4 4.479 4.483 1.916 1.00 0.00 C ATOM 65 SG CYS A 4 5.475 3.657 0.612 1.00 0.00 S ATOM 0 H CYS A 4 6.237 4.574 4.066 1.00 0.00 H new ATOM 0 HA CYS A 4 5.444 6.406 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.193 3.739 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.558 4.856 1.467 1.00 0.00 H new ATOM 70 N ASP A 5 4.694 6.262 4.945 1.00 0.00 N ATOM 71 CA ASP A 5 3.967 6.860 6.099 1.00 0.00 C ATOM 72 C ASP A 5 2.671 6.086 6.465 1.00 0.00 C ATOM 73 O ASP A 5 2.015 6.372 7.472 1.00 0.00 O ATOM 74 CB ASP A 5 3.714 8.385 5.851 1.00 0.00 C ATOM 75 CG ASP A 5 2.925 9.103 6.936 1.00 0.00 C ATOM 76 OD1 ASP A 5 1.853 9.690 6.622 1.00 0.00 O ATOM 77 OD2 ASP A 5 3.348 9.104 8.113 1.00 0.00 O ATOM 0 H ASP A 5 5.583 5.839 5.211 1.00 0.00 H new ATOM 0 HA ASP A 5 4.606 6.767 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.678 8.882 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.184 8.498 4.905 1.00 0.00 H new ATOM 82 N SER A 6 2.380 5.045 5.731 1.00 0.00 N ATOM 83 CA SER A 6 1.181 4.272 5.947 1.00 0.00 C ATOM 84 C SER A 6 1.524 2.823 6.313 1.00 0.00 C ATOM 85 O SER A 6 2.391 2.205 5.685 1.00 0.00 O ATOM 86 CB SER A 6 0.305 4.320 4.699 1.00 0.00 C ATOM 87 OG SER A 6 0.000 5.670 4.351 1.00 0.00 O ATOM 0 H SER A 6 2.965 4.707 4.967 1.00 0.00 H new ATOM 0 HA SER A 6 0.631 4.705 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.817 3.832 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.618 3.767 4.874 1.00 0.00 H new ATOM 0 HG SER A 6 0.130 5.797 3.388 1.00 0.00 H new ATOM 93 N PRO A 7 0.874 2.278 7.349 1.00 0.00 N ATOM 94 CA PRO A 7 1.106 0.906 7.796 1.00 0.00 C ATOM 95 C PRO A 7 0.409 -0.123 6.903 1.00 0.00 C ATOM 96 O PRO A 7 0.941 -1.208 6.657 1.00 0.00 O ATOM 97 CB PRO A 7 0.502 0.887 9.202 1.00 0.00 C ATOM 98 CG PRO A 7 -0.582 1.909 9.160 1.00 0.00 C ATOM 99 CD PRO A 7 -0.131 2.970 8.183 1.00 0.00 C ATOM 0 HA PRO A 7 2.163 0.640 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.108 -0.098 9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.249 1.132 9.957 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.524 1.463 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.750 2.337 10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.962 3.340 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.299 3.830 8.697 1.00 0.00 H new ATOM 107 N PHE A 8 -0.775 0.230 6.433 1.00 0.00 N ATOM 108 CA PHE A 8 -1.589 -0.620 5.607 1.00 0.00 C ATOM 109 C PHE A 8 -2.361 0.240 4.646 1.00 0.00 C ATOM 110 O PHE A 8 -2.520 1.451 4.868 1.00 0.00 O ATOM 111 CB PHE A 8 -2.617 -1.416 6.447 1.00 0.00 C ATOM 112 CG PHE A 8 -2.036 -2.316 7.492 1.00 0.00 C ATOM 113 CD1 PHE A 8 -1.956 -1.905 8.811 1.00 0.00 C ATOM 114 CD2 PHE A 8 -1.571 -3.569 7.157 1.00 0.00 C ATOM 115 CE1 PHE A 8 -1.422 -2.728 9.772 1.00 0.00 C ATOM 116 CE2 PHE A 8 -1.033 -4.398 8.114 1.00 0.00 C ATOM 117 CZ PHE A 8 -0.960 -3.976 9.422 1.00 0.00 C ATOM 0 H PHE A 8 -1.199 1.138 6.624 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.930 -1.319 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.288 -0.708 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.224 -2.018 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.318 -0.926 9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.630 -3.904 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.365 -2.397 10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.669 -5.377 7.840 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.539 -4.626 10.175 1.00 0.00 H new ATOM 127 N CYS A 9 -2.819 -0.362 3.614 1.00 0.00 N ATOM 128 CA CYS A 9 -3.667 0.264 2.653 1.00 0.00 C ATOM 129 C CYS A 9 -4.717 -0.768 2.275 1.00 0.00 C ATOM 130 O CYS A 9 -4.829 -1.801 2.945 1.00 0.00 O ATOM 131 CB CYS A 9 -2.853 0.702 1.432 1.00 0.00 C ATOM 132 SG CYS A 9 -2.092 -0.653 0.504 1.00 0.00 S ATOM 0 H CYS A 9 -2.611 -1.338 3.401 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.137 1.162 3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.503 1.263 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.069 1.384 1.761 1.00 0.00 H new ATOM 137 N SER A 10 -5.472 -0.534 1.252 1.00 0.00 N ATOM 138 CA SER A 10 -6.454 -1.488 0.846 1.00 0.00 C ATOM 139 C SER A 10 -6.505 -1.522 -0.660 1.00 0.00 C ATOM 140 O SER A 10 -5.939 -0.662 -1.301 1.00 0.00 O ATOM 141 CB SER A 10 -7.811 -1.100 1.444 1.00 0.00 C ATOM 142 OG SER A 10 -8.127 0.256 1.152 1.00 0.00 O ATOM 0 H SER A 10 -5.429 0.310 0.681 1.00 0.00 H new ATOM 0 HA SER A 10 -6.197 -2.484 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.588 -1.752 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.793 -1.249 2.524 1.00 0.00 H new ATOM 0 HG SER A 10 -8.998 0.480 1.542 1.00 0.00 H new ATOM 148 N LEU A 11 -7.142 -2.525 -1.226 1.00 0.00 N ATOM 149 CA LEU A 11 -7.328 -2.575 -2.670 1.00 0.00 C ATOM 150 C LEU A 11 -8.296 -1.489 -3.135 1.00 0.00 C ATOM 151 O LEU A 11 -8.312 -1.099 -4.306 1.00 0.00 O ATOM 152 CB LEU A 11 -7.740 -3.990 -3.119 1.00 0.00 C ATOM 153 CG LEU A 11 -8.967 -4.653 -2.453 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.280 -4.062 -2.931 1.00 0.00 C ATOM 155 CD2 LEU A 11 -8.950 -6.145 -2.690 1.00 0.00 C ATOM 0 H LEU A 11 -7.539 -3.314 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.376 -2.362 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.926 -3.955 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.885 -4.648 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.896 -4.453 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.108 -4.564 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.307 -2.998 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.370 -4.199 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.820 -6.599 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.976 -6.344 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.041 -6.571 -2.264 1.00 0.00 H new ATOM 167 N PHE A 12 -9.104 -1.031 -2.204 1.00 0.00 N ATOM 168 CA PHE A 12 -10.016 0.067 -2.437 1.00 0.00 C ATOM 169 C PHE A 12 -9.223 1.357 -2.421 1.00 0.00 C ATOM 170 O PHE A 12 -9.174 2.089 -3.396 1.00 0.00 O ATOM 171 CB PHE A 12 -11.099 0.129 -1.349 1.00 0.00 C ATOM 172 CG PHE A 12 -11.954 -1.096 -1.232 1.00 0.00 C ATOM 173 CD1 PHE A 12 -11.840 -1.941 -0.139 1.00 0.00 C ATOM 174 CD2 PHE A 12 -12.871 -1.407 -2.213 1.00 0.00 C ATOM 175 CE1 PHE A 12 -12.630 -3.065 -0.034 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.662 -2.530 -2.114 1.00 0.00 C ATOM 177 CZ PHE A 12 -13.543 -3.361 -1.023 1.00 0.00 C ATOM 0 H PHE A 12 -9.147 -1.412 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.507 -0.078 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.617 0.310 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.743 0.985 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.125 -1.716 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.971 -0.760 -3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.534 -3.714 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.375 -2.759 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.163 -4.242 -0.942 1.00 0.00 H new ATOM 187 N ARG A 13 -8.585 1.612 -1.304 1.00 0.00 N ATOM 188 CA ARG A 13 -7.775 2.784 -1.128 1.00 0.00 C ATOM 189 C ARG A 13 -6.319 2.424 -1.177 1.00 0.00 C ATOM 190 O ARG A 13 -5.713 2.048 -0.167 1.00 0.00 O ATOM 191 CB ARG A 13 -8.118 3.549 0.164 1.00 0.00 C ATOM 192 CG ARG A 13 -9.254 4.577 0.031 1.00 0.00 C ATOM 193 CD ARG A 13 -10.613 3.961 -0.278 1.00 0.00 C ATOM 194 NE ARG A 13 -11.126 3.150 0.833 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.421 2.885 1.062 1.00 0.00 C ATOM 196 NH1 ARG A 13 -13.362 3.361 0.256 1.00 0.00 N ATOM 197 NH2 ARG A 13 -12.762 2.149 2.100 1.00 0.00 N ATOM 0 H ARG A 13 -8.617 1.003 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.996 3.460 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.390 2.827 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.222 4.063 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.326 5.145 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.999 5.285 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.325 4.754 -0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.533 3.340 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.444 2.757 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.104 3.934 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.344 3.153 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.043 1.784 2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.745 1.944 2.279 1.00 0.00 H new ATOM 211 N ILE A 14 -5.771 2.506 -2.361 1.00 0.00 N ATOM 212 CA ILE A 14 -4.374 2.212 -2.588 1.00 0.00 C ATOM 213 C ILE A 14 -3.567 3.491 -2.458 1.00 0.00 C ATOM 214 O ILE A 14 -2.335 3.485 -2.477 1.00 0.00 O ATOM 215 CB ILE A 14 -4.130 1.568 -3.984 1.00 0.00 C ATOM 216 CG1 ILE A 14 -4.604 2.492 -5.112 1.00 0.00 C ATOM 217 CG2 ILE A 14 -4.839 0.218 -4.078 1.00 0.00 C ATOM 218 CD1 ILE A 14 -4.313 1.959 -6.495 1.00 0.00 C ATOM 0 H ILE A 14 -6.281 2.780 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.055 1.488 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.057 1.415 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.678 2.652 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.125 3.465 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.659 -0.220 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.454 -0.449 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.910 0.359 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.676 2.666 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.238 1.826 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.814 1.000 -6.628 1.00 0.00 H new ATOM 230 N GLY A 15 -4.292 4.587 -2.286 1.00 0.00 N ATOM 231 CA GLY A 15 -3.709 5.905 -2.168 1.00 0.00 C ATOM 232 C GLY A 15 -2.935 6.115 -0.879 1.00 0.00 C ATOM 233 O GLY A 15 -2.298 7.154 -0.701 1.00 0.00 O ATOM 0 H GLY A 15 -5.310 4.581 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.043 6.075 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.502 6.651 -2.231 1.00 0.00 H new ATOM 237 N LEU A 16 -3.006 5.153 0.037 1.00 0.00 N ATOM 238 CA LEU A 16 -2.207 5.212 1.259 1.00 0.00 C ATOM 239 C LEU A 16 -0.735 5.052 0.912 1.00 0.00 C ATOM 240 O LEU A 16 0.151 5.534 1.621 1.00 0.00 O ATOM 241 CB LEU A 16 -2.648 4.161 2.304 1.00 0.00 C ATOM 242 CG LEU A 16 -3.965 4.417 3.070 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.927 5.749 3.794 1.00 0.00 C ATOM 244 CD2 LEU A 16 -5.179 4.326 2.166 1.00 0.00 C ATOM 0 H LEU A 16 -3.603 4.330 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.368 6.187 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.737 3.201 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.848 4.061 3.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.058 3.626 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.867 5.902 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.103 5.752 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.783 6.552 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.081 4.513 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.099 5.069 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.231 3.330 1.726 1.00 0.00 H new ATOM 256 N CYS A 17 -0.494 4.401 -0.193 1.00 0.00 N ATOM 257 CA CYS A 17 0.823 4.247 -0.716 1.00 0.00 C ATOM 258 C CYS A 17 0.995 5.319 -1.793 1.00 0.00 C ATOM 259 O CYS A 17 0.477 5.193 -2.907 1.00 0.00 O ATOM 260 CB CYS A 17 0.981 2.843 -1.290 1.00 0.00 C ATOM 261 SG CYS A 17 0.540 1.505 -0.124 1.00 0.00 S ATOM 0 H CYS A 17 -1.220 3.960 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 17 1.586 4.367 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.359 2.754 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.014 2.707 -1.609 1.00 0.00 H new ATOM 266 N GLY A 18 1.658 6.392 -1.431 1.00 0.00 N ATOM 267 CA GLY A 18 1.746 7.578 -2.263 1.00 0.00 C ATOM 268 C GLY A 18 2.614 7.491 -3.508 1.00 0.00 C ATOM 269 O GLY A 18 3.728 8.005 -3.524 1.00 0.00 O ATOM 0 H GLY A 18 2.157 6.471 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.737 7.849 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.120 8.396 -1.647 1.00 0.00 H new ATOM 273 N ASP A 19 2.115 6.766 -4.505 1.00 0.00 N ATOM 274 CA ASP A 19 2.605 6.689 -5.903 1.00 0.00 C ATOM 275 C ASP A 19 3.901 5.931 -6.056 1.00 0.00 C ATOM 276 O ASP A 19 4.128 5.220 -7.036 1.00 0.00 O ATOM 277 CB ASP A 19 2.704 8.080 -6.509 1.00 0.00 C ATOM 278 CG ASP A 19 3.014 8.058 -7.993 1.00 0.00 C ATOM 279 OD1 ASP A 19 4.179 8.307 -8.378 1.00 0.00 O ATOM 280 OD2 ASP A 19 2.097 7.781 -8.796 1.00 0.00 O ATOM 0 H ASP A 19 1.300 6.170 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 19 1.865 6.110 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.765 8.609 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.480 8.642 -5.989 1.00 0.00 H new ATOM 285 N LYS A 20 4.712 6.045 -5.084 1.00 0.00 N ATOM 286 CA LYS A 20 6.024 5.439 -5.091 1.00 0.00 C ATOM 287 C LYS A 20 5.933 3.994 -4.664 1.00 0.00 C ATOM 288 O LYS A 20 6.779 3.149 -5.002 1.00 0.00 O ATOM 289 CB LYS A 20 6.956 6.232 -4.203 1.00 0.00 C ATOM 290 CG LYS A 20 7.114 7.660 -4.672 1.00 0.00 C ATOM 291 CD LYS A 20 7.982 8.454 -3.742 1.00 0.00 C ATOM 292 CE LYS A 20 8.083 9.903 -4.187 1.00 0.00 C ATOM 293 NZ LYS A 20 8.764 10.057 -5.495 1.00 0.00 N ATOM 0 H LYS A 20 4.501 6.567 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 20 6.430 5.455 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.574 6.227 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.933 5.749 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.548 7.669 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.133 8.130 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.574 8.409 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.978 8.012 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.082 10.329 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.624 10.473 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.941 11.065 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.669 9.544 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.161 9.670 -6.248 1.00 0.00 H new ATOM 307 N CYS A 21 4.894 3.708 -3.966 1.00 0.00 N ATOM 308 CA CYS A 21 4.628 2.402 -3.527 1.00 0.00 C ATOM 309 C CYS A 21 3.261 1.952 -3.986 1.00 0.00 C ATOM 310 O CYS A 21 2.360 2.763 -4.177 1.00 0.00 O ATOM 311 CB CYS A 21 4.838 2.274 -2.019 1.00 0.00 C ATOM 312 SG CYS A 21 4.281 3.706 -1.036 1.00 0.00 S ATOM 0 H CYS A 21 4.195 4.395 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 21 5.345 1.721 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.312 1.386 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.899 2.112 -1.828 1.00 0.00 H new ATOM 317 N THR A 22 3.150 0.685 -4.200 1.00 0.00 N ATOM 318 CA THR A 22 1.963 0.047 -4.695 1.00 0.00 C ATOM 319 C THR A 22 1.377 -0.834 -3.579 1.00 0.00 C ATOM 320 O THR A 22 2.108 -1.240 -2.681 1.00 0.00 O ATOM 321 CB THR A 22 2.379 -0.806 -5.923 1.00 0.00 C ATOM 322 OG1 THR A 22 2.951 0.058 -6.920 1.00 0.00 O ATOM 323 CG2 THR A 22 1.220 -1.577 -6.533 1.00 0.00 C ATOM 0 H THR A 22 3.914 0.031 -4.029 1.00 0.00 H new ATOM 0 HA THR A 22 1.203 0.769 -4.992 1.00 0.00 H new ATOM 0 HB THR A 22 3.104 -1.542 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.218 -0.473 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.576 -2.153 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.801 -2.253 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.451 -0.878 -6.862 1.00 0.00 H new ATOM 331 N CYS A 23 0.092 -1.086 -3.608 1.00 0.00 N ATOM 332 CA CYS A 23 -0.532 -1.921 -2.607 1.00 0.00 C ATOM 333 C CYS A 23 -0.506 -3.377 -2.976 1.00 0.00 C ATOM 334 O CYS A 23 -0.857 -3.759 -4.097 1.00 0.00 O ATOM 335 CB CYS A 23 -1.970 -1.506 -2.351 1.00 0.00 C ATOM 336 SG CYS A 23 -2.140 0.015 -1.408 1.00 0.00 S ATOM 0 H CYS A 23 -0.546 -0.724 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 23 0.055 -1.782 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.478 -1.386 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.479 -2.309 -1.819 1.00 0.00 H new ATOM 341 N VAL A 24 -0.045 -4.176 -2.056 1.00 0.00 N ATOM 342 CA VAL A 24 -0.121 -5.611 -2.163 1.00 0.00 C ATOM 343 C VAL A 24 -1.235 -6.041 -1.232 1.00 0.00 C ATOM 344 O VAL A 24 -1.011 -6.126 -0.036 1.00 0.00 O ATOM 345 CB VAL A 24 1.184 -6.297 -1.689 1.00 0.00 C ATOM 346 CG1 VAL A 24 1.129 -7.799 -1.907 1.00 0.00 C ATOM 347 CG2 VAL A 24 2.383 -5.705 -2.371 1.00 0.00 C ATOM 0 H VAL A 24 0.400 -3.848 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.288 -5.892 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 24 1.279 -6.117 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.060 -8.251 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.294 -8.218 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.994 -8.008 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.285 -6.205 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.291 -5.838 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.445 -4.641 -2.140 1.00 0.00 H new ATOM 357 N PRO A 25 -2.460 -6.229 -1.732 1.00 0.00 N ATOM 358 CA PRO A 25 -3.582 -6.575 -0.892 1.00 0.00 C ATOM 359 C PRO A 25 -3.626 -8.062 -0.583 1.00 0.00 C ATOM 360 O PRO A 25 -3.633 -8.902 -1.491 1.00 0.00 O ATOM 361 CB PRO A 25 -4.797 -6.134 -1.706 1.00 0.00 C ATOM 362 CG PRO A 25 -4.353 -6.120 -3.139 1.00 0.00 C ATOM 363 CD PRO A 25 -2.840 -6.144 -3.154 1.00 0.00 C ATOM 0 HA PRO A 25 -3.531 -6.093 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.632 -6.820 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.138 -5.147 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.754 -6.982 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.726 -5.230 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.462 -6.997 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.433 -5.247 -3.621 1.00 0.00 H new ATOM 371 N LEU A 26 -3.645 -8.391 0.686 1.00 0.00 N ATOM 372 CA LEU A 26 -3.671 -9.764 1.100 1.00 0.00 C ATOM 373 C LEU A 26 -4.690 -10.008 2.233 1.00 0.00 C ATOM 374 O LEU A 26 -4.371 -9.829 3.408 1.00 0.00 O ATOM 375 CB LEU A 26 -2.257 -10.301 1.504 1.00 0.00 C ATOM 376 CG LEU A 26 -1.507 -9.603 2.671 1.00 0.00 C ATOM 377 CD1 LEU A 26 -0.413 -10.508 3.191 1.00 0.00 C ATOM 378 CD2 LEU A 26 -0.880 -8.294 2.225 1.00 0.00 C ATOM 0 H LEU A 26 -3.643 -7.717 1.452 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.995 -10.330 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.363 -11.355 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.618 -10.251 0.622 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.236 -9.395 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.110 -10.013 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.851 -11.439 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.292 -10.725 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.363 -7.833 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.167 -8.487 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.659 -7.622 1.865 1.00 0.00 H new ATOM 390 N PRO A 27 -5.961 -10.334 1.910 1.00 0.00 N ATOM 391 CA PRO A 27 -6.495 -10.329 0.541 1.00 0.00 C ATOM 392 C PRO A 27 -7.038 -8.946 0.163 1.00 0.00 C ATOM 393 O PRO A 27 -7.000 -8.546 -0.997 1.00 0.00 O ATOM 394 CB PRO A 27 -7.665 -11.336 0.606 1.00 0.00 C ATOM 395 CG PRO A 27 -7.696 -11.846 2.020 1.00 0.00 C ATOM 396 CD PRO A 27 -6.952 -10.844 2.850 1.00 0.00 C ATOM 0 HA PRO A 27 -5.734 -10.580 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.608 -10.856 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.516 -12.153 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.722 -11.955 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.230 -12.829 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.607 -10.054 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.486 -11.304 3.722 1.00 0.00 H new ATOM 404 N ILE A 28 -7.519 -8.218 1.164 1.00 0.00 N ATOM 405 CA ILE A 28 -8.117 -6.913 0.949 1.00 0.00 C ATOM 406 C ILE A 28 -7.205 -5.821 1.517 1.00 0.00 C ATOM 407 O ILE A 28 -6.907 -4.831 0.834 1.00 0.00 O ATOM 408 CB ILE A 28 -9.525 -6.813 1.597 1.00 0.00 C ATOM 409 CG1 ILE A 28 -10.413 -7.982 1.129 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.175 -5.483 1.221 1.00 0.00 C ATOM 411 CD1 ILE A 28 -11.789 -8.015 1.768 1.00 0.00 C ATOM 0 H ILE A 28 -7.504 -8.516 2.139 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.233 -6.773 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.418 -6.866 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.529 -7.924 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.902 -8.920 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.162 -5.418 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.555 -4.661 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.272 -5.419 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.348 -8.868 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.686 -8.106 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.323 -7.095 1.531 1.00 0.00 H new ATOM 423 N PHE A 29 -6.768 -6.006 2.765 1.00 0.00 N ATOM 424 CA PHE A 29 -5.815 -5.088 3.383 1.00 0.00 C ATOM 425 C PHE A 29 -4.469 -5.301 2.731 1.00 0.00 C ATOM 426 O PHE A 29 -4.026 -6.446 2.578 1.00 0.00 O ATOM 427 CB PHE A 29 -5.682 -5.319 4.899 1.00 0.00 C ATOM 428 CG PHE A 29 -6.922 -5.063 5.714 1.00 0.00 C ATOM 429 CD1 PHE A 29 -7.375 -3.768 5.923 1.00 0.00 C ATOM 430 CD2 PHE A 29 -7.611 -6.112 6.303 1.00 0.00 C ATOM 431 CE1 PHE A 29 -8.493 -3.527 6.701 1.00 0.00 C ATOM 432 CE2 PHE A 29 -8.731 -5.877 7.078 1.00 0.00 C ATOM 433 CZ PHE A 29 -9.173 -4.583 7.277 1.00 0.00 C ATOM 0 H PHE A 29 -7.058 -6.780 3.363 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.175 -4.069 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.369 -6.350 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.884 -4.679 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.849 -2.939 5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.268 -7.125 6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.834 -2.514 6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.260 -6.704 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.048 -4.397 7.882 1.00 0.00 H new ATOM 443 N GLY A 30 -3.833 -4.250 2.345 1.00 0.00 N ATOM 444 CA GLY A 30 -2.606 -4.383 1.653 1.00 0.00 C ATOM 445 C GLY A 30 -1.473 -3.648 2.282 1.00 0.00 C ATOM 446 O GLY A 30 -1.666 -2.854 3.205 1.00 0.00 O ATOM 0 H GLY A 30 -4.145 -3.291 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.349 -5.440 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.736 -4.025 0.632 1.00 0.00 H new ATOM 450 N LEU A 31 -0.299 -3.925 1.791 1.00 0.00 N ATOM 451 CA LEU A 31 0.914 -3.294 2.251 1.00 0.00 C ATOM 452 C LEU A 31 1.534 -2.520 1.114 1.00 0.00 C ATOM 453 O LEU A 31 1.369 -2.891 -0.054 1.00 0.00 O ATOM 454 CB LEU A 31 1.913 -4.350 2.722 1.00 0.00 C ATOM 455 CG LEU A 31 1.475 -5.240 3.879 1.00 0.00 C ATOM 456 CD1 LEU A 31 2.541 -6.271 4.162 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.204 -4.412 5.119 1.00 0.00 C ATOM 0 H LEU A 31 -0.151 -4.607 1.047 1.00 0.00 H new ATOM 0 HA LEU A 31 0.672 -2.627 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.156 -4.990 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.833 -3.842 3.013 1.00 0.00 H new ATOM 0 HG LEU A 31 0.552 -5.747 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.223 -6.905 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.698 -6.884 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.472 -5.769 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.893 -5.067 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.111 -3.881 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.413 -3.692 4.910 1.00 0.00 H new ATOM 469 N CYS A 32 2.227 -1.463 1.444 1.00 0.00 N ATOM 470 CA CYS A 32 2.921 -0.659 0.466 1.00 0.00 C ATOM 471 C CYS A 32 4.223 -1.338 0.046 1.00 0.00 C ATOM 472 O CYS A 32 5.131 -1.522 0.859 1.00 0.00 O ATOM 473 CB CYS A 32 3.229 0.737 1.032 1.00 0.00 C ATOM 474 SG CYS A 32 1.769 1.729 1.475 1.00 0.00 S ATOM 0 H CYS A 32 2.328 -1.131 2.403 1.00 0.00 H new ATOM 0 HA CYS A 32 2.274 -0.553 -0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.854 0.623 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.815 1.289 0.297 1.00 0.00 H new ATOM 479 N VAL A 33 4.288 -1.752 -1.193 1.00 0.00 N ATOM 480 CA VAL A 33 5.490 -2.325 -1.759 1.00 0.00 C ATOM 481 C VAL A 33 6.177 -1.239 -2.591 1.00 0.00 C ATOM 482 O VAL A 33 5.500 -0.489 -3.304 1.00 0.00 O ATOM 483 CB VAL A 33 5.173 -3.589 -2.647 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.331 -3.250 -3.870 1.00 0.00 C ATOM 485 CG2 VAL A 33 6.437 -4.324 -3.060 1.00 0.00 C ATOM 0 H VAL A 33 3.505 -1.702 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 33 6.144 -2.666 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 33 4.582 -4.254 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.143 -4.157 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.382 -2.820 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.865 -2.531 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.173 -5.188 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.075 -3.654 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.971 -4.658 -2.170 1.00 0.00 H new ATOM 495 N PRO A 34 7.495 -1.074 -2.470 1.00 0.00 N ATOM 496 CA PRO A 34 8.213 -0.072 -3.240 1.00 0.00 C ATOM 497 C PRO A 34 8.266 -0.461 -4.711 1.00 0.00 C ATOM 498 O PRO A 34 8.876 -1.469 -5.080 1.00 0.00 O ATOM 499 CB PRO A 34 9.610 -0.068 -2.625 1.00 0.00 C ATOM 500 CG PRO A 34 9.763 -1.413 -2.006 1.00 0.00 C ATOM 501 CD PRO A 34 8.393 -1.854 -1.596 1.00 0.00 C ATOM 0 HA PRO A 34 7.738 0.909 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.374 0.107 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.711 0.722 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.201 -2.117 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.430 -1.370 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.258 -2.926 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.205 -1.647 -0.543 1.00 0.00 H new ATOM 509 N ASP A 35 7.600 0.298 -5.538 1.00 0.00 N ATOM 510 CA ASP A 35 7.545 -0.039 -6.950 1.00 0.00 C ATOM 511 C ASP A 35 8.649 0.691 -7.657 1.00 0.00 C ATOM 512 O ASP A 35 9.325 0.150 -8.541 1.00 0.00 O ATOM 513 CB ASP A 35 6.193 0.315 -7.557 1.00 0.00 C ATOM 514 CG ASP A 35 5.985 -0.319 -8.922 1.00 0.00 C ATOM 515 OD1 ASP A 35 5.629 -1.519 -8.984 1.00 0.00 O ATOM 516 OD2 ASP A 35 6.157 0.363 -9.952 1.00 0.00 O ATOM 0 H ASP A 35 7.093 1.142 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 35 7.674 -1.115 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.400 -0.010 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.111 1.398 -7.647 1.00 0.00 H new ATOM 521 N VAL A 36 8.865 1.902 -7.236 1.00 0.00 N ATOM 522 CA VAL A 36 9.933 2.704 -7.736 1.00 0.00 C ATOM 523 C VAL A 36 10.988 2.850 -6.652 1.00 0.00 C ATOM 524 O VAL A 36 12.083 2.259 -6.792 1.00 0.00 O ATOM 525 CB VAL A 36 9.458 4.088 -8.313 1.00 0.00 C ATOM 526 CG1 VAL A 36 8.564 4.834 -7.347 1.00 0.00 C ATOM 527 CG2 VAL A 36 10.647 4.954 -8.688 1.00 0.00 C ATOM 528 OXT VAL A 36 10.691 3.451 -5.599 1.00 0.00 O ATOM 0 H VAL A 36 8.295 2.363 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 36 10.372 2.195 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 36 8.875 3.871 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.262 5.783 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.679 4.235 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.106 5.022 -6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.293 5.906 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.259 5.134 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.244 4.445 -9.445 1.00 0.00 H new TER 538 VAL A 36