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+ -129:sc= -0.354 (180deg=-2.24!) USER MOD Single : A 6 SER OG : rot -70:sc= 0.911 USER MOD Single : A 10 SER OG : rot 180:sc= 0.859 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0.837 (180deg=0.655) USER MOD Single : A 22 THR OG1 : rot 126:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.385 8.140 2.197 1.00 0.00 N ATOM 2 CA LEU A 1 14.687 8.105 0.903 1.00 0.00 C ATOM 3 C LEU A 1 13.219 7.856 1.155 1.00 0.00 C ATOM 4 O LEU A 1 12.875 7.304 2.200 1.00 0.00 O ATOM 5 CB LEU A 1 15.251 6.999 -0.044 1.00 0.00 C ATOM 6 CG LEU A 1 16.608 7.242 -0.746 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.543 8.438 -1.670 1.00 0.00 C ATOM 8 CD2 LEU A 1 17.740 7.400 0.237 1.00 0.00 C ATOM 0 H1 LEU A 1 15.964 9.002 2.256 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.687 8.139 2.968 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.998 7.304 2.283 1.00 0.00 H new ATOM 0 HA LEU A 1 14.841 9.063 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.339 6.081 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.506 6.816 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 1 16.812 6.353 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.512 8.582 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.784 8.267 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.286 9.328 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.671 7.568 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 1 17.540 8.251 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.829 6.495 0.838 1.00 0.00 H new ATOM 22 N PRO A 2 12.321 8.293 0.231 1.00 0.00 N ATOM 23 CA PRO A 2 10.873 8.068 0.349 1.00 0.00 C ATOM 24 C PRO A 2 10.529 6.603 0.589 1.00 0.00 C ATOM 25 O PRO A 2 11.085 5.695 -0.050 1.00 0.00 O ATOM 26 CB PRO A 2 10.324 8.527 -1.003 1.00 0.00 C ATOM 27 CG PRO A 2 11.307 9.532 -1.479 1.00 0.00 C ATOM 28 CD PRO A 2 12.646 9.068 -0.985 1.00 0.00 C ATOM 0 HA PRO A 2 10.451 8.604 1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.238 7.694 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.329 8.961 -0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.296 9.604 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.070 10.523 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.156 8.454 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.303 9.908 -0.761 1.00 0.00 H new ATOM 36 N ARG A 3 9.641 6.384 1.507 1.00 0.00 N ATOM 37 CA ARG A 3 9.232 5.068 1.906 1.00 0.00 C ATOM 38 C ARG A 3 7.730 4.979 1.739 1.00 0.00 C ATOM 39 O ARG A 3 7.105 5.897 1.185 1.00 0.00 O ATOM 40 CB ARG A 3 9.580 4.860 3.380 1.00 0.00 C ATOM 41 CG ARG A 3 11.046 5.056 3.725 1.00 0.00 C ATOM 42 CD ARG A 3 11.248 5.092 5.230 1.00 0.00 C ATOM 43 NE ARG A 3 10.410 6.131 5.850 1.00 0.00 N ATOM 44 CZ ARG A 3 10.824 7.092 6.687 1.00 0.00 C ATOM 45 NH1 ARG A 3 12.088 7.147 7.108 1.00 0.00 N ATOM 46 NH2 ARG A 3 9.953 7.982 7.111 1.00 0.00 N ATOM 0 H ARG A 3 9.167 7.131 2.014 1.00 0.00 H new ATOM 0 HA ARG A 3 9.734 4.311 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.985 5.549 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.286 3.851 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.636 4.248 3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.407 5.985 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.003 4.119 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.297 5.284 5.455 1.00 0.00 H new ATOM 0 HE ARG A 3 9.416 6.118 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.761 6.449 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.382 7.887 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.982 7.933 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.249 8.721 7.749 1.00 0.00 H new ATOM 60 N CYS A 4 7.154 3.917 2.215 1.00 0.00 N ATOM 61 CA CYS A 4 5.726 3.758 2.166 1.00 0.00 C ATOM 62 C CYS A 4 5.138 4.446 3.393 1.00 0.00 C ATOM 63 O CYS A 4 4.346 5.406 3.277 1.00 0.00 O ATOM 64 CB CYS A 4 5.366 2.263 2.184 1.00 0.00 C ATOM 65 SG CYS A 4 6.353 1.242 1.037 1.00 0.00 S ATOM 0 H CYS A 4 7.653 3.139 2.646 1.00 0.00 H new ATOM 0 HA CYS A 4 5.325 4.198 1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.497 1.881 3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.311 2.152 1.935 1.00 0.00 H new ATOM 70 N ASP A 5 5.589 3.978 4.578 1.00 0.00 N ATOM 71 CA ASP A 5 5.139 4.463 5.903 1.00 0.00 C ATOM 72 C ASP A 5 3.641 4.271 6.077 1.00 0.00 C ATOM 73 O ASP A 5 3.001 4.899 6.929 1.00 0.00 O ATOM 74 CB ASP A 5 5.542 5.933 6.156 1.00 0.00 C ATOM 75 CG ASP A 5 7.036 6.139 6.305 1.00 0.00 C ATOM 76 OD1 ASP A 5 7.628 5.617 7.257 1.00 0.00 O ATOM 77 OD2 ASP A 5 7.648 6.879 5.487 1.00 0.00 O ATOM 0 H ASP A 5 6.289 3.239 4.642 1.00 0.00 H new ATOM 0 HA ASP A 5 5.650 3.858 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.180 6.547 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.044 6.287 7.059 1.00 0.00 H new ATOM 82 N SER A 6 3.110 3.359 5.304 1.00 0.00 N ATOM 83 CA SER A 6 1.713 3.077 5.255 1.00 0.00 C ATOM 84 C SER A 6 1.308 2.181 6.435 1.00 0.00 C ATOM 85 O SER A 6 1.928 1.131 6.670 1.00 0.00 O ATOM 86 CB SER A 6 1.444 2.370 3.938 1.00 0.00 C ATOM 87 OG SER A 6 2.110 3.048 2.878 1.00 0.00 O ATOM 0 H SER A 6 3.663 2.778 4.674 1.00 0.00 H new ATOM 0 HA SER A 6 1.131 3.996 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.788 1.337 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.372 2.339 3.744 1.00 0.00 H new ATOM 0 HG SER A 6 1.674 3.911 2.716 1.00 0.00 H new ATOM 93 N PRO A 7 0.301 2.588 7.209 1.00 0.00 N ATOM 94 CA PRO A 7 -0.185 1.792 8.335 1.00 0.00 C ATOM 95 C PRO A 7 -1.000 0.575 7.866 1.00 0.00 C ATOM 96 O PRO A 7 -1.052 -0.453 8.534 1.00 0.00 O ATOM 97 CB PRO A 7 -1.070 2.773 9.117 1.00 0.00 C ATOM 98 CG PRO A 7 -1.486 3.811 8.127 1.00 0.00 C ATOM 99 CD PRO A 7 -0.412 3.878 7.079 1.00 0.00 C ATOM 0 HA PRO A 7 0.629 1.379 8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.937 2.267 9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.523 3.219 9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.446 3.553 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.611 4.779 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.835 4.001 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.257 4.722 7.247 1.00 0.00 H new ATOM 107 N PHE A 8 -1.602 0.710 6.703 1.00 0.00 N ATOM 108 CA PHE A 8 -2.441 -0.301 6.099 1.00 0.00 C ATOM 109 C PHE A 8 -2.606 0.085 4.647 1.00 0.00 C ATOM 110 O PHE A 8 -2.047 1.110 4.240 1.00 0.00 O ATOM 111 CB PHE A 8 -3.828 -0.352 6.797 1.00 0.00 C ATOM 112 CG PHE A 8 -4.689 0.893 6.647 1.00 0.00 C ATOM 113 CD1 PHE A 8 -5.667 0.963 5.659 1.00 0.00 C ATOM 114 CD2 PHE A 8 -4.525 1.978 7.487 1.00 0.00 C ATOM 115 CE1 PHE A 8 -6.451 2.087 5.515 1.00 0.00 C ATOM 116 CE2 PHE A 8 -5.308 3.103 7.347 1.00 0.00 C ATOM 117 CZ PHE A 8 -6.270 3.159 6.357 1.00 0.00 C ATOM 0 H PHE A 8 -1.518 1.553 6.135 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.989 -1.288 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.382 -1.204 6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.673 -0.538 7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.814 0.124 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.774 1.944 8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.205 2.126 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.170 3.942 8.012 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.879 4.044 6.245 1.00 0.00 H new ATOM 127 N CYS A 9 -3.341 -0.710 3.876 1.00 0.00 N ATOM 128 CA CYS A 9 -3.661 -0.383 2.497 1.00 0.00 C ATOM 129 C CYS A 9 -4.628 -1.440 1.979 1.00 0.00 C ATOM 130 O CYS A 9 -4.758 -2.520 2.585 1.00 0.00 O ATOM 131 CB CYS A 9 -2.390 -0.333 1.622 1.00 0.00 C ATOM 132 SG CYS A 9 -2.615 0.402 -0.047 1.00 0.00 S ATOM 0 H CYS A 9 -3.730 -1.598 4.192 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.117 0.606 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.626 0.236 2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.008 -1.347 1.506 1.00 0.00 H new ATOM 137 N SER A 10 -5.305 -1.139 0.909 1.00 0.00 N ATOM 138 CA SER A 10 -6.257 -2.032 0.298 1.00 0.00 C ATOM 139 C SER A 10 -6.391 -1.619 -1.154 1.00 0.00 C ATOM 140 O SER A 10 -5.749 -0.667 -1.559 1.00 0.00 O ATOM 141 CB SER A 10 -7.608 -1.893 1.013 1.00 0.00 C ATOM 142 OG SER A 10 -8.106 -0.570 0.902 1.00 0.00 O ATOM 0 H SER A 10 -5.211 -0.247 0.423 1.00 0.00 H new ATOM 0 HA SER A 10 -5.932 -3.070 0.370 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.325 -2.593 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.496 -2.157 2.065 1.00 0.00 H new ATOM 0 HG SER A 10 -8.968 -0.505 1.363 1.00 0.00 H new ATOM 148 N LEU A 11 -7.225 -2.296 -1.937 1.00 0.00 N ATOM 149 CA LEU A 11 -7.418 -1.870 -3.314 1.00 0.00 C ATOM 150 C LEU A 11 -8.297 -0.629 -3.347 1.00 0.00 C ATOM 151 O LEU A 11 -8.312 0.132 -4.324 1.00 0.00 O ATOM 152 CB LEU A 11 -8.020 -2.964 -4.225 1.00 0.00 C ATOM 153 CG LEU A 11 -9.466 -3.421 -3.962 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.016 -4.133 -5.185 1.00 0.00 C ATOM 155 CD2 LEU A 11 -9.546 -4.365 -2.781 1.00 0.00 C ATOM 0 H LEU A 11 -7.761 -3.116 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.427 -1.651 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.967 -2.606 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.377 -3.842 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.054 -2.530 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.040 -4.453 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.004 -3.454 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.400 -5.004 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.582 -4.666 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.937 -5.247 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.177 -3.862 -1.887 1.00 0.00 H new ATOM 167 N PHE A 12 -9.022 -0.437 -2.275 1.00 0.00 N ATOM 168 CA PHE A 12 -9.910 0.687 -2.141 1.00 0.00 C ATOM 169 C PHE A 12 -9.176 1.901 -1.603 1.00 0.00 C ATOM 170 O PHE A 12 -9.502 3.021 -1.950 1.00 0.00 O ATOM 171 CB PHE A 12 -11.110 0.342 -1.260 1.00 0.00 C ATOM 172 CG PHE A 12 -12.004 -0.719 -1.840 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.666 -0.505 -3.041 1.00 0.00 C ATOM 174 CD2 PHE A 12 -12.197 -1.920 -1.183 1.00 0.00 C ATOM 175 CE1 PHE A 12 -13.496 -1.471 -3.575 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.027 -2.890 -1.714 1.00 0.00 C ATOM 177 CZ PHE A 12 -13.676 -2.665 -2.910 1.00 0.00 C ATOM 0 H PHE A 12 -9.012 -1.060 -1.467 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.284 0.932 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.750 0.008 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.696 1.245 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.530 0.430 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.694 -2.103 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.003 -1.291 -4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.167 -3.825 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.324 -3.423 -3.325 1.00 0.00 H new ATOM 187 N ARG A 13 -8.219 1.681 -0.734 1.00 0.00 N ATOM 188 CA ARG A 13 -7.415 2.757 -0.199 1.00 0.00 C ATOM 189 C ARG A 13 -5.963 2.521 -0.504 1.00 0.00 C ATOM 190 O ARG A 13 -5.256 1.890 0.274 1.00 0.00 O ATOM 191 CB ARG A 13 -7.623 2.995 1.325 1.00 0.00 C ATOM 192 CG ARG A 13 -8.937 3.684 1.715 1.00 0.00 C ATOM 193 CD ARG A 13 -10.134 2.791 1.504 1.00 0.00 C ATOM 194 NE ARG A 13 -11.407 3.481 1.720 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.542 2.878 2.079 1.00 0.00 C ATOM 196 NH1 ARG A 13 -12.533 1.588 2.416 1.00 0.00 N ATOM 197 NH2 ARG A 13 -13.681 3.569 2.124 1.00 0.00 N ATOM 0 H ARG A 13 -7.975 0.757 -0.378 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.752 3.668 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.573 2.033 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.794 3.597 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.891 3.985 2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.057 4.594 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.110 2.394 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.069 1.939 2.181 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.428 4.492 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.659 1.063 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.400 1.127 2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.686 4.560 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.548 3.106 2.399 1.00 0.00 H new ATOM 211 N ILE A 14 -5.537 2.981 -1.668 1.00 0.00 N ATOM 212 CA ILE A 14 -4.155 2.819 -2.105 1.00 0.00 C ATOM 213 C ILE A 14 -3.342 4.070 -1.807 1.00 0.00 C ATOM 214 O ILE A 14 -2.103 4.071 -1.931 1.00 0.00 O ATOM 215 CB ILE A 14 -4.040 2.493 -3.625 1.00 0.00 C ATOM 216 CG1 ILE A 14 -4.700 3.590 -4.486 1.00 0.00 C ATOM 217 CG2 ILE A 14 -4.636 1.130 -3.930 1.00 0.00 C ATOM 218 CD1 ILE A 14 -4.550 3.379 -5.983 1.00 0.00 C ATOM 0 H ILE A 14 -6.132 3.474 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.758 1.973 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.981 2.466 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.761 3.639 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.267 4.554 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.545 0.923 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.103 0.365 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.689 1.122 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.041 4.193 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.492 3.361 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.009 2.431 -6.265 1.00 0.00 H new ATOM 230 N GLY A 15 -4.035 5.115 -1.367 1.00 0.00 N ATOM 231 CA GLY A 15 -3.416 6.401 -1.096 1.00 0.00 C ATOM 232 C GLY A 15 -2.403 6.348 0.017 1.00 0.00 C ATOM 233 O GLY A 15 -1.555 7.223 0.130 1.00 0.00 O ATOM 0 H GLY A 15 -5.039 5.091 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.931 6.762 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.191 7.123 -0.839 1.00 0.00 H new ATOM 237 N LEU A 16 -2.487 5.315 0.831 1.00 0.00 N ATOM 238 CA LEU A 16 -1.551 5.109 1.925 1.00 0.00 C ATOM 239 C LEU A 16 -0.151 4.834 1.374 1.00 0.00 C ATOM 240 O LEU A 16 0.857 5.291 1.926 1.00 0.00 O ATOM 241 CB LEU A 16 -1.985 3.938 2.832 1.00 0.00 C ATOM 242 CG LEU A 16 -3.282 4.079 3.672 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.248 5.305 4.553 1.00 0.00 C ATOM 244 CD2 LEU A 16 -4.534 4.060 2.813 1.00 0.00 C ATOM 0 H LEU A 16 -3.204 4.594 0.755 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.540 6.019 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.096 3.056 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.166 3.735 3.522 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.324 3.203 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.174 5.368 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.402 5.238 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.143 6.196 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.413 4.162 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.501 4.887 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.587 3.117 2.268 1.00 0.00 H new ATOM 256 N CYS A 17 -0.095 4.095 0.279 1.00 0.00 N ATOM 257 CA CYS A 17 1.171 3.761 -0.360 1.00 0.00 C ATOM 258 C CYS A 17 1.627 4.917 -1.246 1.00 0.00 C ATOM 259 O CYS A 17 2.817 5.034 -1.583 1.00 0.00 O ATOM 260 CB CYS A 17 1.039 2.477 -1.157 1.00 0.00 C ATOM 261 SG CYS A 17 0.645 1.010 -0.153 1.00 0.00 S ATOM 0 H CYS A 17 -0.916 3.712 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 17 1.927 3.600 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.261 2.608 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.972 2.297 -1.692 1.00 0.00 H new ATOM 266 N GLY A 18 0.643 5.725 -1.650 1.00 0.00 N ATOM 267 CA GLY A 18 0.848 6.986 -2.350 1.00 0.00 C ATOM 268 C GLY A 18 1.853 6.956 -3.478 1.00 0.00 C ATOM 269 O GLY A 18 2.857 7.677 -3.415 1.00 0.00 O ATOM 0 H GLY A 18 -0.342 5.510 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.110 7.317 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.166 7.735 -1.625 1.00 0.00 H new ATOM 273 N ASP A 19 1.630 6.061 -4.456 1.00 0.00 N ATOM 274 CA ASP A 19 2.407 5.962 -5.721 1.00 0.00 C ATOM 275 C ASP A 19 3.821 5.406 -5.532 1.00 0.00 C ATOM 276 O ASP A 19 4.399 4.820 -6.436 1.00 0.00 O ATOM 277 CB ASP A 19 2.417 7.328 -6.421 1.00 0.00 C ATOM 278 CG ASP A 19 3.162 7.359 -7.751 1.00 0.00 C ATOM 279 OD1 ASP A 19 4.371 7.679 -7.771 1.00 0.00 O ATOM 280 OD2 ASP A 19 2.546 7.115 -8.803 1.00 0.00 O ATOM 0 H ASP A 19 0.887 5.365 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 19 1.906 5.233 -6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.387 7.641 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.867 8.061 -5.751 1.00 0.00 H new ATOM 285 N LYS A 20 4.330 5.536 -4.349 1.00 0.00 N ATOM 286 CA LYS A 20 5.684 5.121 -4.021 1.00 0.00 C ATOM 287 C LYS A 20 5.751 3.645 -3.750 1.00 0.00 C ATOM 288 O LYS A 20 6.782 2.992 -3.959 1.00 0.00 O ATOM 289 CB LYS A 20 6.167 5.886 -2.817 1.00 0.00 C ATOM 290 CG LYS A 20 6.280 7.358 -3.092 1.00 0.00 C ATOM 291 CD LYS A 20 6.704 8.134 -1.875 1.00 0.00 C ATOM 292 CE LYS A 20 5.632 8.134 -0.792 1.00 0.00 C ATOM 293 NZ LYS A 20 4.372 8.776 -1.248 1.00 0.00 N ATOM 0 H LYS A 20 3.821 5.938 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 20 6.326 5.335 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.481 5.724 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.138 5.500 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.000 7.522 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.320 7.735 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.623 7.706 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.929 9.161 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.425 7.108 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.007 8.658 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.735 8.906 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.587 9.701 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.910 8.170 -1.956 1.00 0.00 H new ATOM 307 N CYS A 21 4.672 3.119 -3.284 1.00 0.00 N ATOM 308 CA CYS A 21 4.600 1.735 -2.987 1.00 0.00 C ATOM 309 C CYS A 21 3.327 1.171 -3.548 1.00 0.00 C ATOM 310 O CYS A 21 2.442 1.928 -3.984 1.00 0.00 O ATOM 311 CB CYS A 21 4.708 1.499 -1.487 1.00 0.00 C ATOM 312 SG CYS A 21 6.210 2.211 -0.732 1.00 0.00 S ATOM 0 H CYS A 21 3.814 3.639 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 21 5.440 1.219 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.831 1.924 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.691 0.426 -1.296 1.00 0.00 H new ATOM 317 N THR A 22 3.223 -0.116 -3.545 1.00 0.00 N ATOM 318 CA THR A 22 2.088 -0.777 -4.070 1.00 0.00 C ATOM 319 C THR A 22 1.629 -1.790 -3.046 1.00 0.00 C ATOM 320 O THR A 22 2.421 -2.588 -2.559 1.00 0.00 O ATOM 321 CB THR A 22 2.435 -1.474 -5.422 1.00 0.00 C ATOM 322 OG1 THR A 22 2.906 -0.485 -6.374 1.00 0.00 O ATOM 323 CG2 THR A 22 1.218 -2.189 -6.003 1.00 0.00 C ATOM 0 H THR A 22 3.937 -0.742 -3.171 1.00 0.00 H new ATOM 0 HA THR A 22 1.292 -0.060 -4.271 1.00 0.00 H new ATOM 0 HB THR A 22 3.213 -2.213 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.777 -0.761 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.491 -2.665 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.871 -2.947 -5.300 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.421 -1.466 -6.179 1.00 0.00 H new ATOM 331 N CYS A 23 0.409 -1.714 -2.647 1.00 0.00 N ATOM 332 CA CYS A 23 -0.089 -2.670 -1.720 1.00 0.00 C ATOM 333 C CYS A 23 -0.761 -3.798 -2.436 1.00 0.00 C ATOM 334 O CYS A 23 -1.463 -3.585 -3.430 1.00 0.00 O ATOM 335 CB CYS A 23 -1.001 -2.042 -0.673 1.00 0.00 C ATOM 336 SG CYS A 23 -2.445 -1.162 -1.316 1.00 0.00 S ATOM 0 H CYS A 23 -0.261 -1.005 -2.945 1.00 0.00 H new ATOM 0 HA CYS A 23 0.765 -3.074 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.347 -2.827 -0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.412 -1.347 -0.075 1.00 0.00 H new ATOM 341 N VAL A 24 -0.507 -4.991 -1.967 1.00 0.00 N ATOM 342 CA VAL A 24 -1.089 -6.172 -2.534 1.00 0.00 C ATOM 343 C VAL A 24 -2.275 -6.562 -1.668 1.00 0.00 C ATOM 344 O VAL A 24 -2.087 -6.979 -0.517 1.00 0.00 O ATOM 345 CB VAL A 24 -0.076 -7.351 -2.576 1.00 0.00 C ATOM 346 CG1 VAL A 24 -0.676 -8.554 -3.291 1.00 0.00 C ATOM 347 CG2 VAL A 24 1.227 -6.930 -3.241 1.00 0.00 C ATOM 0 H VAL A 24 0.113 -5.169 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.392 -5.963 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 24 0.146 -7.637 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.050 -9.367 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.573 -8.880 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.936 -8.278 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.917 -7.774 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.026 -6.606 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.672 -6.108 -2.681 1.00 0.00 H new ATOM 357 N PRO A 25 -3.500 -6.358 -2.160 1.00 0.00 N ATOM 358 CA PRO A 25 -4.704 -6.693 -1.427 1.00 0.00 C ATOM 359 C PRO A 25 -5.001 -8.181 -1.503 1.00 0.00 C ATOM 360 O PRO A 25 -5.054 -8.758 -2.591 1.00 0.00 O ATOM 361 CB PRO A 25 -5.810 -5.900 -2.147 1.00 0.00 C ATOM 362 CG PRO A 25 -5.138 -5.139 -3.245 1.00 0.00 C ATOM 363 CD PRO A 25 -3.818 -5.793 -3.477 1.00 0.00 C ATOM 0 HA PRO A 25 -4.618 -6.452 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.570 -6.570 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.314 -5.223 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.742 -5.155 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.008 -4.093 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.878 -6.565 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.063 -5.077 -3.803 1.00 0.00 H new ATOM 371 N LEU A 26 -5.200 -8.801 -0.369 1.00 0.00 N ATOM 372 CA LEU A 26 -5.494 -10.206 -0.340 1.00 0.00 C ATOM 373 C LEU A 26 -6.664 -10.526 0.600 1.00 0.00 C ATOM 374 O LEU A 26 -6.477 -10.671 1.810 1.00 0.00 O ATOM 375 CB LEU A 26 -4.241 -11.099 -0.032 1.00 0.00 C ATOM 376 CG LEU A 26 -3.499 -10.930 1.319 1.00 0.00 C ATOM 377 CD1 LEU A 26 -2.519 -12.076 1.507 1.00 0.00 C ATOM 378 CD2 LEU A 26 -2.741 -9.614 1.380 1.00 0.00 C ATOM 0 H LEU A 26 -5.163 -8.353 0.546 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.803 -10.464 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.556 -12.140 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.515 -10.929 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.246 -10.933 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.998 -11.957 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.061 -13.022 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.795 -12.073 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.234 -9.531 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.005 -9.581 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.440 -8.786 1.266 1.00 0.00 H new ATOM 390 N PRO A 27 -7.921 -10.523 0.088 1.00 0.00 N ATOM 391 CA PRO A 27 -8.262 -10.088 -1.275 1.00 0.00 C ATOM 392 C PRO A 27 -8.601 -8.595 -1.325 1.00 0.00 C ATOM 393 O PRO A 27 -8.502 -7.959 -2.368 1.00 0.00 O ATOM 394 CB PRO A 27 -9.534 -10.905 -1.595 1.00 0.00 C ATOM 395 CG PRO A 27 -9.845 -11.695 -0.355 1.00 0.00 C ATOM 396 CD PRO A 27 -9.099 -11.048 0.765 1.00 0.00 C ATOM 0 HA PRO A 27 -7.438 -10.240 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.363 -10.248 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.369 -11.565 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.917 -11.697 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.541 -12.735 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.682 -10.258 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.836 -11.762 1.545 1.00 0.00 H new ATOM 404 N ILE A 28 -8.976 -8.033 -0.183 1.00 0.00 N ATOM 405 CA ILE A 28 -9.386 -6.642 -0.124 1.00 0.00 C ATOM 406 C ILE A 28 -8.335 -5.814 0.587 1.00 0.00 C ATOM 407 O ILE A 28 -7.804 -4.850 0.037 1.00 0.00 O ATOM 408 CB ILE A 28 -10.751 -6.474 0.605 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.854 -7.324 -0.067 1.00 0.00 C ATOM 410 CG2 ILE A 28 -11.159 -4.999 0.668 1.00 0.00 C ATOM 411 CD1 ILE A 28 -12.136 -6.978 -1.525 1.00 0.00 C ATOM 0 H ILE A 28 -9.004 -8.521 0.712 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.500 -6.294 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.629 -6.836 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.569 -8.374 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.776 -7.211 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.116 -4.908 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.401 -4.435 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.251 -4.604 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.923 -7.628 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.456 -5.939 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.230 -7.120 -2.114 1.00 0.00 H new ATOM 423 N PHE A 29 -8.043 -6.197 1.794 1.00 0.00 N ATOM 424 CA PHE A 29 -7.067 -5.525 2.605 1.00 0.00 C ATOM 425 C PHE A 29 -5.714 -6.149 2.313 1.00 0.00 C ATOM 426 O PHE A 29 -5.634 -7.359 2.036 1.00 0.00 O ATOM 427 CB PHE A 29 -7.447 -5.701 4.082 1.00 0.00 C ATOM 428 CG PHE A 29 -6.615 -4.919 5.052 1.00 0.00 C ATOM 429 CD1 PHE A 29 -5.487 -5.474 5.631 1.00 0.00 C ATOM 430 CD2 PHE A 29 -6.974 -3.630 5.397 1.00 0.00 C ATOM 431 CE1 PHE A 29 -4.737 -4.761 6.533 1.00 0.00 C ATOM 432 CE2 PHE A 29 -6.224 -2.913 6.301 1.00 0.00 C ATOM 433 CZ PHE A 29 -5.103 -3.480 6.870 1.00 0.00 C ATOM 0 H PHE A 29 -8.481 -6.996 2.251 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.028 -4.458 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.491 -5.414 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.375 -6.759 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.193 -6.480 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.851 -3.181 4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.860 -5.207 6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.513 -1.906 6.565 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.514 -2.918 7.579 1.00 0.00 H new ATOM 443 N GLY A 30 -4.665 -5.375 2.353 1.00 0.00 N ATOM 444 CA GLY A 30 -3.393 -5.932 2.040 1.00 0.00 C ATOM 445 C GLY A 30 -2.261 -5.282 2.758 1.00 0.00 C ATOM 446 O GLY A 30 -2.461 -4.501 3.693 1.00 0.00 O ATOM 0 H GLY A 30 -4.669 -4.384 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.402 -6.995 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.225 -5.851 0.966 1.00 0.00 H new ATOM 450 N LEU A 31 -1.082 -5.618 2.325 1.00 0.00 N ATOM 451 CA LEU A 31 0.145 -5.094 2.875 1.00 0.00 C ATOM 452 C LEU A 31 0.779 -4.193 1.845 1.00 0.00 C ATOM 453 O LEU A 31 0.584 -4.411 0.643 1.00 0.00 O ATOM 454 CB LEU A 31 1.080 -6.263 3.295 1.00 0.00 C ATOM 455 CG LEU A 31 1.473 -7.319 2.216 1.00 0.00 C ATOM 456 CD1 LEU A 31 2.583 -6.835 1.284 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.856 -8.630 2.866 1.00 0.00 C ATOM 0 H LEU A 31 -0.937 -6.279 1.562 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.049 -4.508 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.000 -5.829 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.602 -6.792 4.119 1.00 0.00 H new ATOM 0 HG LEU A 31 0.590 -7.473 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.812 -7.613 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.254 -5.936 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.476 -6.610 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.127 -9.353 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.706 -8.472 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.012 -9.011 3.441 1.00 0.00 H new ATOM 469 N CYS A 32 1.490 -3.195 2.276 1.00 0.00 N ATOM 470 CA CYS A 32 2.100 -2.275 1.359 1.00 0.00 C ATOM 471 C CYS A 32 3.554 -2.644 1.171 1.00 0.00 C ATOM 472 O CYS A 32 4.324 -2.689 2.134 1.00 0.00 O ATOM 473 CB CYS A 32 1.965 -0.837 1.858 1.00 0.00 C ATOM 474 SG CYS A 32 2.423 0.425 0.630 1.00 0.00 S ATOM 0 H CYS A 32 1.664 -2.995 3.261 1.00 0.00 H new ATOM 0 HA CYS A 32 1.588 -2.339 0.399 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.934 -0.668 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.590 -0.711 2.742 1.00 0.00 H new ATOM 479 N VAL A 33 3.923 -2.936 -0.048 1.00 0.00 N ATOM 480 CA VAL A 33 5.272 -3.309 -0.349 1.00 0.00 C ATOM 481 C VAL A 33 5.920 -2.191 -1.176 1.00 0.00 C ATOM 482 O VAL A 33 5.274 -1.636 -2.100 1.00 0.00 O ATOM 483 CB VAL A 33 5.348 -4.720 -1.066 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.580 -4.757 -2.371 1.00 0.00 C ATOM 485 CG2 VAL A 33 6.779 -5.170 -1.285 1.00 0.00 C ATOM 0 H VAL A 33 3.298 -2.921 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 33 5.832 -3.426 0.579 1.00 0.00 H new ATOM 0 HB VAL A 33 4.869 -5.422 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.668 -5.748 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.530 -4.536 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.989 -4.014 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.783 -6.142 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.297 -4.443 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.287 -5.250 -0.324 1.00 0.00 H new ATOM 495 N PRO A 34 7.151 -1.769 -0.804 1.00 0.00 N ATOM 496 CA PRO A 34 7.876 -0.710 -1.499 1.00 0.00 C ATOM 497 C PRO A 34 8.013 -0.992 -2.982 1.00 0.00 C ATOM 498 O PRO A 34 8.606 -2.001 -3.397 1.00 0.00 O ATOM 499 CB PRO A 34 9.250 -0.687 -0.818 1.00 0.00 C ATOM 500 CG PRO A 34 9.323 -1.963 -0.061 1.00 0.00 C ATOM 501 CD PRO A 34 7.924 -2.274 0.340 1.00 0.00 C ATOM 0 HA PRO A 34 7.355 0.245 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.053 -0.616 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.348 0.172 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.740 -2.760 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.968 -1.864 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.773 -3.343 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.647 -1.776 1.269 1.00 0.00 H new ATOM 509 N ASP A 35 7.471 -0.105 -3.764 1.00 0.00 N ATOM 510 CA ASP A 35 7.444 -0.260 -5.203 1.00 0.00 C ATOM 511 C ASP A 35 8.695 0.342 -5.774 1.00 0.00 C ATOM 512 O ASP A 35 9.243 -0.143 -6.767 1.00 0.00 O ATOM 513 CB ASP A 35 6.207 0.423 -5.794 1.00 0.00 C ATOM 514 CG ASP A 35 6.066 0.237 -7.280 1.00 0.00 C ATOM 515 OD1 ASP A 35 6.613 1.048 -8.057 1.00 0.00 O ATOM 516 OD2 ASP A 35 5.379 -0.713 -7.699 1.00 0.00 O ATOM 0 H ASP A 35 7.032 0.752 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 35 7.395 -1.319 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.317 0.032 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.251 1.489 -5.573 1.00 0.00 H new ATOM 521 N VAL A 36 9.133 1.406 -5.142 1.00 0.00 N ATOM 522 CA VAL A 36 10.362 2.055 -5.485 1.00 0.00 C ATOM 523 C VAL A 36 11.559 1.196 -5.071 1.00 0.00 C ATOM 524 O VAL A 36 12.258 0.691 -5.965 1.00 0.00 O ATOM 525 CB VAL A 36 10.465 3.517 -4.929 1.00 0.00 C ATOM 526 CG1 VAL A 36 9.463 4.416 -5.633 1.00 0.00 C ATOM 527 CG2 VAL A 36 10.229 3.576 -3.419 1.00 0.00 C ATOM 528 OXT VAL A 36 11.765 0.945 -3.852 1.00 0.00 O ATOM 0 H VAL A 36 8.635 1.845 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 36 10.375 2.158 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 36 11.479 3.866 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.543 5.429 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.671 4.425 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.454 4.040 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.310 4.608 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.233 3.196 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.975 2.966 -2.910 1.00 0.00 H new TER 538 VAL A 36