USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 5 SER OG : rot -49:sc= 0.35 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 112:sc= 0.943 USER MOD Single : A 13 HIS : no HE2:sc= 0.218 K(o=0.22,f=-1.5) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 24 THR OG1 : rot -159:sc=-0.00378! USER MOD Single : A 25 GLN : amide:sc= -0.349 K(o=-0.35,f=-1.6) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.632 K(o=-0.63,f=-9!) USER MOD Single : A 33 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.6) USER MOD Single : A 34 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 1.107 29.370 -7.320 1.00 0.00 N ATOM 44 CA SER A 5 0.724 27.953 -7.265 1.00 0.00 C ATOM 45 C SER A 5 1.792 27.089 -6.585 1.00 0.00 C ATOM 46 O SER A 5 1.687 25.859 -6.573 1.00 0.00 O ATOM 47 CB SER A 5 0.438 27.420 -8.671 1.00 0.00 C ATOM 48 OG SER A 5 -0.188 26.146 -8.616 1.00 0.00 O ATOM 0 HA SER A 5 -0.182 27.891 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.203 28.121 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.369 27.347 -9.232 1.00 0.00 H new ATOM 0 HG SER A 5 0.316 25.559 -8.014 1.00 0.00 H new ATOM 54 N LEU A 6 2.806 27.734 -6.009 1.00 0.00 N ATOM 55 CA LEU A 6 3.886 27.022 -5.318 1.00 0.00 C ATOM 56 C LEU A 6 3.344 26.183 -4.163 1.00 0.00 C ATOM 57 O LEU A 6 3.646 24.994 -4.050 1.00 0.00 O ATOM 58 CB LEU A 6 4.950 28.009 -4.811 1.00 0.00 C ATOM 59 CG LEU A 6 4.410 29.270 -4.132 1.00 0.00 C ATOM 60 CD1 LEU A 6 4.764 29.277 -2.654 1.00 0.00 C ATOM 61 CD2 LEU A 6 4.951 30.515 -4.812 1.00 0.00 C ATOM 0 H LEU A 6 2.904 28.749 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 6 4.352 26.347 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.598 27.487 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.572 28.310 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 6 3.324 29.269 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.371 30.182 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.328 28.403 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.848 29.252 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.556 31.401 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.039 30.519 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.646 30.519 -5.859 1.00 0.00 H new ATOM 73 N SER A 7 2.532 26.808 -3.316 1.00 0.00 N ATOM 74 CA SER A 7 1.932 26.123 -2.169 1.00 0.00 C ATOM 75 C SER A 7 0.958 25.036 -2.622 1.00 0.00 C ATOM 76 O SER A 7 0.766 24.037 -1.926 1.00 0.00 O ATOM 77 CB SER A 7 1.211 27.124 -1.262 1.00 0.00 C ATOM 78 OG SER A 7 2.109 28.110 -0.774 1.00 0.00 O ATOM 0 H SER A 7 2.272 27.791 -3.400 1.00 0.00 H new ATOM 0 HA SER A 7 2.737 25.650 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.404 27.604 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.754 26.597 -0.424 1.00 0.00 H new ATOM 0 HG SER A 7 1.624 28.738 -0.199 1.00 0.00 H new ATOM 84 N ILE A 8 0.351 25.236 -3.790 1.00 0.00 N ATOM 85 CA ILE A 8 -0.602 24.274 -4.347 1.00 0.00 C ATOM 86 C ILE A 8 0.101 23.037 -4.864 1.00 0.00 C ATOM 87 O ILE A 8 -0.273 21.914 -4.530 1.00 0.00 O ATOM 88 CB ILE A 8 -1.445 24.901 -5.484 1.00 0.00 C ATOM 89 CG1 ILE A 8 -2.005 26.261 -5.057 1.00 0.00 C ATOM 90 CG2 ILE A 8 -2.578 23.968 -5.888 1.00 0.00 C ATOM 91 CD1 ILE A 8 -2.511 27.096 -6.214 1.00 0.00 C ATOM 0 H ILE A 8 0.502 26.059 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.269 23.988 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.794 25.051 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.819 26.104 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.228 26.816 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.159 24.426 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.164 23.022 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.224 23.787 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.893 28.045 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.695 27.284 -6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.310 26.561 -6.727 1.00 0.00 H new ATOM 103 N ASP A 9 1.122 23.262 -5.665 1.00 0.00 N ATOM 104 CA ASP A 9 1.916 22.178 -6.247 1.00 0.00 C ATOM 105 C ASP A 9 2.279 21.139 -5.189 1.00 0.00 C ATOM 106 O ASP A 9 1.969 19.954 -5.329 1.00 0.00 O ATOM 107 CB ASP A 9 3.186 22.743 -6.898 1.00 0.00 C ATOM 108 CG ASP A 9 3.739 21.841 -7.984 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.117 20.693 -7.669 1.00 0.00 O ATOM 110 OD2 ASP A 9 3.799 22.287 -9.149 1.00 0.00 O ATOM 0 H ASP A 9 1.431 24.196 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 9 1.315 21.687 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.967 23.723 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.947 22.891 -6.132 1.00 0.00 H new ATOM 115 N LEU A 10 2.926 21.597 -4.126 1.00 0.00 N ATOM 116 CA LEU A 10 3.330 20.715 -3.032 1.00 0.00 C ATOM 117 C LEU A 10 2.116 20.158 -2.281 1.00 0.00 C ATOM 118 O LEU A 10 2.020 18.949 -2.063 1.00 0.00 O ATOM 119 CB LEU A 10 4.270 21.448 -2.064 1.00 0.00 C ATOM 120 CG LEU A 10 3.720 22.740 -1.450 1.00 0.00 C ATOM 121 CD1 LEU A 10 3.267 22.502 -0.019 1.00 0.00 C ATOM 122 CD2 LEU A 10 4.770 23.837 -1.496 1.00 0.00 C ATOM 0 H LEU A 10 3.184 22.575 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 10 3.866 19.873 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.531 20.766 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.193 21.684 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 10 2.858 23.058 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.880 23.431 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.484 21.744 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.112 22.160 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.364 24.748 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.649 23.523 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.051 24.028 -2.532 1.00 0.00 H new ATOM 134 N THR A 11 1.189 21.038 -1.890 1.00 0.00 N ATOM 135 CA THR A 11 -0.013 20.618 -1.162 1.00 0.00 C ATOM 136 C THR A 11 -0.814 19.598 -1.959 1.00 0.00 C ATOM 137 O THR A 11 -1.084 18.499 -1.471 1.00 0.00 O ATOM 138 CB THR A 11 -0.895 21.824 -0.817 1.00 0.00 C ATOM 139 OG1 THR A 11 -0.157 22.796 -0.100 1.00 0.00 O ATOM 140 CG2 THR A 11 -2.101 21.467 0.022 1.00 0.00 C ATOM 0 H THR A 11 1.247 22.041 -2.064 1.00 0.00 H new ATOM 0 HA THR A 11 0.316 20.148 -0.235 1.00 0.00 H new ATOM 0 HB THR A 11 -1.238 22.210 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.045 23.596 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.680 22.367 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.722 20.752 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.772 21.024 0.962 1.00 0.00 H new ATOM 148 N PHE A 12 -1.179 19.952 -3.192 1.00 0.00 N ATOM 149 CA PHE A 12 -1.935 19.049 -4.046 1.00 0.00 C ATOM 150 C PHE A 12 -1.187 17.729 -4.259 1.00 0.00 C ATOM 151 O PHE A 12 -1.806 16.675 -4.426 1.00 0.00 O ATOM 152 CB PHE A 12 -2.215 19.730 -5.383 1.00 0.00 C ATOM 153 CG PHE A 12 -3.670 20.018 -5.612 1.00 0.00 C ATOM 154 CD1 PHE A 12 -4.298 21.034 -4.913 1.00 0.00 C ATOM 155 CD2 PHE A 12 -4.408 19.275 -6.518 1.00 0.00 C ATOM 156 CE1 PHE A 12 -5.638 21.306 -5.112 1.00 0.00 C ATOM 157 CE2 PHE A 12 -5.749 19.542 -6.722 1.00 0.00 C ATOM 158 CZ PHE A 12 -6.365 20.558 -6.018 1.00 0.00 C ATOM 0 H PHE A 12 -0.962 20.854 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.880 18.814 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.655 20.664 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.846 19.096 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.734 21.621 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.931 18.479 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.116 22.102 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.315 18.956 -7.432 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.413 20.767 -6.175 1.00 0.00 H new ATOM 168 N HIS A 13 0.146 17.791 -4.244 1.00 0.00 N ATOM 169 CA HIS A 13 0.973 16.598 -4.430 1.00 0.00 C ATOM 170 C HIS A 13 1.146 15.825 -3.124 1.00 0.00 C ATOM 171 O HIS A 13 1.092 14.597 -3.122 1.00 0.00 O ATOM 172 CB HIS A 13 2.344 16.979 -4.990 1.00 0.00 C ATOM 173 CG HIS A 13 2.998 15.880 -5.766 1.00 0.00 C ATOM 174 ND1 HIS A 13 3.033 14.573 -5.331 1.00 0.00 N ATOM 175 CD2 HIS A 13 3.647 15.898 -6.953 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.679 13.833 -6.215 1.00 0.00 C ATOM 177 NE2 HIS A 13 4.062 14.613 -7.211 1.00 0.00 N ATOM 0 H HIS A 13 0.674 18.652 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 13 0.459 15.953 -5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.235 17.852 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.996 17.269 -4.166 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.624 14.230 -4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.809 16.761 -7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.863 12.772 -6.137 1.00 0.00 H new ATOM 186 N LEU A 14 1.366 16.533 -2.018 1.00 0.00 N ATOM 187 CA LEU A 14 1.543 15.873 -0.723 1.00 0.00 C ATOM 188 C LEU A 14 0.219 15.298 -0.216 1.00 0.00 C ATOM 189 O LEU A 14 0.184 14.188 0.316 1.00 0.00 O ATOM 190 CB LEU A 14 2.157 16.832 0.309 1.00 0.00 C ATOM 191 CG LEU A 14 1.284 18.022 0.704 1.00 0.00 C ATOM 192 CD1 LEU A 14 0.358 17.658 1.852 1.00 0.00 C ATOM 193 CD2 LEU A 14 2.150 19.213 1.080 1.00 0.00 C ATOM 0 H LEU A 14 1.426 17.551 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 14 2.238 15.045 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.396 16.265 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.099 17.211 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 14 0.670 18.293 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.253 18.522 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.289 16.834 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.950 17.357 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.513 20.052 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.789 18.947 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.770 19.495 0.229 1.00 0.00 H new ATOM 205 N LEU A 15 -0.875 16.045 -0.392 1.00 0.00 N ATOM 206 CA LEU A 15 -2.193 15.577 0.044 1.00 0.00 C ATOM 207 C LEU A 15 -2.678 14.404 -0.816 1.00 0.00 C ATOM 208 O LEU A 15 -3.456 13.568 -0.352 1.00 0.00 O ATOM 209 CB LEU A 15 -3.210 16.730 0.024 1.00 0.00 C ATOM 210 CG LEU A 15 -3.953 16.942 -1.299 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.251 16.151 -1.318 1.00 0.00 C ATOM 212 CD2 LEU A 15 -4.238 18.419 -1.517 1.00 0.00 C ATOM 0 H LEU A 15 -0.875 16.967 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.101 15.219 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.946 16.553 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.689 17.653 0.278 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.317 16.584 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.763 16.315 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.032 15.089 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.890 16.480 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.766 18.552 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.854 18.795 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.298 18.970 -1.546 1.00 0.00 H new ATOM 224 N ARG A 16 -2.202 14.332 -2.060 1.00 0.00 N ATOM 225 CA ARG A 16 -2.570 13.259 -2.966 1.00 0.00 C ATOM 226 C ARG A 16 -2.320 11.891 -2.324 1.00 0.00 C ATOM 227 O ARG A 16 -3.113 10.962 -2.479 1.00 0.00 O ATOM 228 CB ARG A 16 -1.767 13.411 -4.258 1.00 0.00 C ATOM 229 CG ARG A 16 -0.527 12.548 -4.305 1.00 0.00 C ATOM 230 CD ARG A 16 0.162 12.664 -5.644 1.00 0.00 C ATOM 231 NE ARG A 16 -0.539 11.866 -6.642 1.00 0.00 N ATOM 232 CZ ARG A 16 -0.203 11.792 -7.923 1.00 0.00 C ATOM 233 NH1 ARG A 16 0.766 12.551 -8.401 1.00 0.00 N ATOM 234 NH2 ARG A 16 -0.851 10.971 -8.727 1.00 0.00 N ATOM 0 H ARG A 16 -1.556 15.013 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.635 13.321 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.406 13.161 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.477 14.455 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.159 12.847 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.796 11.508 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.191 13.708 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.195 12.328 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.347 11.325 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.259 13.197 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.022 12.491 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.609 10.394 -8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.594 10.913 -9.712 1.00 0.00 H new ATOM 248 N THR A 17 -1.203 11.784 -1.602 1.00 0.00 N ATOM 249 CA THR A 17 -0.820 10.539 -0.933 1.00 0.00 C ATOM 250 C THR A 17 -1.863 10.075 0.090 1.00 0.00 C ATOM 251 O THR A 17 -2.109 8.877 0.220 1.00 0.00 O ATOM 252 CB THR A 17 0.540 10.712 -0.250 1.00 0.00 C ATOM 253 OG1 THR A 17 1.411 11.492 -1.054 1.00 0.00 O ATOM 254 CG2 THR A 17 1.240 9.404 0.036 1.00 0.00 C ATOM 0 H THR A 17 -0.544 12.550 -1.465 1.00 0.00 H new ATOM 0 HA THR A 17 -0.757 9.767 -1.700 1.00 0.00 H new ATOM 0 HB THR A 17 0.322 11.206 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.273 11.592 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.197 9.601 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.619 8.795 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.410 8.870 -0.899 1.00 0.00 H new ATOM 262 N LEU A 18 -2.473 11.017 0.816 1.00 0.00 N ATOM 263 CA LEU A 18 -3.482 10.667 1.824 1.00 0.00 C ATOM 264 C LEU A 18 -4.753 10.076 1.192 1.00 0.00 C ATOM 265 O LEU A 18 -5.470 9.307 1.836 1.00 0.00 O ATOM 266 CB LEU A 18 -3.830 11.890 2.687 1.00 0.00 C ATOM 267 CG LEU A 18 -4.898 12.828 2.116 1.00 0.00 C ATOM 268 CD1 LEU A 18 -6.267 12.483 2.676 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.553 14.274 2.425 1.00 0.00 C ATOM 0 H LEU A 18 -2.290 12.017 0.728 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.048 9.896 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.166 11.539 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.919 12.465 2.852 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.924 12.699 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.012 13.160 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.521 11.457 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.252 12.584 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.322 14.928 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.500 14.413 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.589 14.521 1.980 1.00 0.00 H new ATOM 281 N LEU A 19 -5.033 10.439 -0.065 1.00 0.00 N ATOM 282 CA LEU A 19 -6.224 9.938 -0.757 1.00 0.00 C ATOM 283 C LEU A 19 -5.899 8.806 -1.735 1.00 0.00 C ATOM 284 O LEU A 19 -6.678 7.861 -1.878 1.00 0.00 O ATOM 285 CB LEU A 19 -6.945 11.082 -1.484 1.00 0.00 C ATOM 286 CG LEU A 19 -6.247 11.619 -2.737 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.652 10.820 -3.966 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.571 13.089 -2.934 1.00 0.00 C ATOM 0 H LEU A 19 -4.456 11.072 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.885 9.524 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.941 10.739 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.078 11.906 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.171 11.513 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.144 11.220 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.373 9.775 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.730 10.892 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.068 13.456 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.648 13.212 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.230 13.656 -2.068 1.00 0.00 H new ATOM 315 N LEU A 21 -3.765 6.603 -1.413 1.00 0.00 N ATOM 316 CA LEU A 21 -3.420 5.409 -0.652 1.00 0.00 C ATOM 317 C LEU A 21 -4.619 4.465 -0.565 1.00 0.00 C ATOM 318 O LEU A 21 -4.458 3.250 -0.650 1.00 0.00 O ATOM 319 CB LEU A 21 -2.913 5.776 0.750 1.00 0.00 C ATOM 320 CG LEU A 21 -3.958 6.360 1.707 1.00 0.00 C ATOM 321 CD1 LEU A 21 -4.712 5.250 2.421 1.00 0.00 C ATOM 322 CD2 LEU A 21 -3.292 7.277 2.719 1.00 0.00 C ATOM 0 HA LEU A 21 -2.614 4.895 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.489 4.882 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.102 6.496 0.645 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.672 6.941 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.449 5.686 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.218 4.623 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.010 4.643 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.046 7.685 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.559 6.712 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.792 8.093 2.197 1.00 0.00 H new ATOM 334 N ALA A 22 -5.824 5.025 -0.424 1.00 0.00 N ATOM 335 CA ALA A 22 -7.036 4.210 -0.355 1.00 0.00 C ATOM 336 C ALA A 22 -7.118 3.261 -1.548 1.00 0.00 C ATOM 337 O ALA A 22 -7.439 2.080 -1.396 1.00 0.00 O ATOM 338 CB ALA A 22 -8.275 5.096 -0.277 1.00 0.00 C ATOM 0 H ALA A 22 -5.984 6.030 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.993 3.607 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.167 4.471 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.219 5.722 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.326 5.729 -1.163 1.00 0.00 H new ATOM 344 N ARG A 23 -6.798 3.776 -2.732 1.00 0.00 N ATOM 345 CA ARG A 23 -6.813 2.959 -3.941 1.00 0.00 C ATOM 346 C ARG A 23 -5.615 2.004 -3.956 1.00 0.00 C ATOM 347 O ARG A 23 -5.759 0.828 -4.304 1.00 0.00 O ATOM 348 CB ARG A 23 -6.848 3.838 -5.203 1.00 0.00 C ATOM 349 CG ARG A 23 -5.520 4.490 -5.573 1.00 0.00 C ATOM 350 CD ARG A 23 -5.324 4.533 -7.081 1.00 0.00 C ATOM 351 NE ARG A 23 -6.494 5.093 -7.768 1.00 0.00 N ATOM 352 CZ ARG A 23 -6.599 6.353 -8.186 1.00 0.00 C ATOM 353 NH1 ARG A 23 -5.607 7.211 -8.017 1.00 0.00 N ATOM 354 NH2 ARG A 23 -7.706 6.755 -8.779 1.00 0.00 N ATOM 0 H ARG A 23 -6.527 4.748 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.723 2.358 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.182 3.228 -6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.593 4.621 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.486 5.503 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.701 3.937 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.444 5.131 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.133 3.526 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.285 4.471 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.745 6.911 -7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.703 8.173 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.477 6.102 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.791 7.719 -9.101 1.00 0.00 H new ATOM 368 N THR A 24 -4.441 2.501 -3.548 1.00 0.00 N ATOM 369 CA THR A 24 -3.242 1.663 -3.498 1.00 0.00 C ATOM 370 C THR A 24 -3.421 0.558 -2.462 1.00 0.00 C ATOM 371 O THR A 24 -3.073 -0.595 -2.713 1.00 0.00 O ATOM 372 CB THR A 24 -1.983 2.499 -3.210 1.00 0.00 C ATOM 373 OG1 THR A 24 -0.857 1.945 -3.879 1.00 0.00 O ATOM 374 CG2 THR A 24 -1.613 2.605 -1.744 1.00 0.00 C ATOM 0 H THR A 24 -4.298 3.467 -3.252 1.00 0.00 H new ATOM 0 HA THR A 24 -3.103 1.203 -4.476 1.00 0.00 H new ATOM 0 HB THR A 24 -2.235 3.497 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.034 2.255 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.714 3.212 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.432 3.070 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.427 1.609 -1.343 1.00 0.00 H new ATOM 382 N GLN A 25 -3.995 0.908 -1.310 1.00 0.00 N ATOM 383 CA GLN A 25 -4.253 -0.064 -0.254 1.00 0.00 C ATOM 384 C GLN A 25 -5.212 -1.128 -0.773 1.00 0.00 C ATOM 385 O GLN A 25 -4.934 -2.327 -0.699 1.00 0.00 O ATOM 386 CB GLN A 25 -4.843 0.634 0.977 1.00 0.00 C ATOM 387 CG GLN A 25 -4.164 0.252 2.284 1.00 0.00 C ATOM 388 CD GLN A 25 -3.050 1.209 2.664 1.00 0.00 C ATOM 389 OE1 GLN A 25 -3.197 2.423 2.564 1.00 0.00 O ATOM 390 NE2 GLN A 25 -1.923 0.668 3.102 1.00 0.00 N ATOM 0 H GLN A 25 -4.289 1.859 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.316 -0.538 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.769 1.713 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.904 0.394 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.906 0.229 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.758 -0.756 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.837 -0.346 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.141 1.265 3.370 1.00 0.00 H new ATOM 399 N SER A 26 -6.327 -0.665 -1.330 1.00 0.00 N ATOM 400 CA SER A 26 -7.341 -1.549 -1.901 1.00 0.00 C ATOM 401 C SER A 26 -6.735 -2.472 -2.957 1.00 0.00 C ATOM 402 O SER A 26 -6.962 -3.684 -2.937 1.00 0.00 O ATOM 403 CB SER A 26 -8.460 -0.723 -2.532 1.00 0.00 C ATOM 404 OG SER A 26 -9.582 -1.533 -2.841 1.00 0.00 O ATOM 0 H SER A 26 -6.554 0.327 -1.399 1.00 0.00 H new ATOM 0 HA SER A 26 -7.745 -2.161 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.759 0.072 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.094 -0.242 -3.439 1.00 0.00 H new ATOM 0 HG SER A 26 -10.284 -0.980 -3.242 1.00 0.00 H new ATOM 410 N GLN A 27 -5.970 -1.881 -3.882 1.00 0.00 N ATOM 411 CA GLN A 27 -5.329 -2.632 -4.967 1.00 0.00 C ATOM 412 C GLN A 27 -4.585 -3.871 -4.462 1.00 0.00 C ATOM 413 O GLN A 27 -4.612 -4.918 -5.107 1.00 0.00 O ATOM 414 CB GLN A 27 -4.379 -1.724 -5.754 1.00 0.00 C ATOM 415 CG GLN A 27 -4.085 -2.234 -7.159 1.00 0.00 C ATOM 416 CD GLN A 27 -5.323 -2.273 -8.041 1.00 0.00 C ATOM 417 OE1 GLN A 27 -5.997 -3.301 -8.147 1.00 0.00 O ATOM 418 NE2 GLN A 27 -5.633 -1.152 -8.675 1.00 0.00 N ATOM 0 H GLN A 27 -5.779 -0.879 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.123 -2.982 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.813 -0.726 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.442 -1.628 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.334 -1.595 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.658 -3.235 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.049 -0.323 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.455 -1.118 -9.278 1.00 0.00 H new ATOM 427 N ARG A 28 -3.940 -3.756 -3.305 1.00 0.00 N ATOM 428 CA ARG A 28 -3.212 -4.891 -2.721 1.00 0.00 C ATOM 429 C ARG A 28 -4.150 -5.734 -1.869 1.00 0.00 C ATOM 430 O ARG A 28 -4.172 -6.965 -1.972 1.00 0.00 O ATOM 431 CB ARG A 28 -2.016 -4.435 -1.877 1.00 0.00 C ATOM 432 CG ARG A 28 -1.845 -2.936 -1.813 1.00 0.00 C ATOM 433 CD ARG A 28 -0.469 -2.550 -1.320 1.00 0.00 C ATOM 434 NE ARG A 28 0.440 -2.294 -2.434 1.00 0.00 N ATOM 435 CZ ARG A 28 0.463 -1.169 -3.140 1.00 0.00 C ATOM 436 NH1 ARG A 28 -0.434 -0.229 -2.923 1.00 0.00 N ATOM 437 NH2 ARG A 28 1.367 -1.002 -4.085 1.00 0.00 N ATOM 0 H ARG A 28 -3.903 -2.899 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.828 -5.489 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.131 -4.821 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.107 -4.877 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.010 -2.508 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.601 -2.512 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.541 -1.660 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.067 -3.348 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 28 1.101 -3.028 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.151 -0.363 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.412 0.633 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.049 -1.737 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.385 -0.138 -4.627 1.00 0.00 H new ATOM 451 N GLU A 29 -4.936 -5.054 -1.038 1.00 0.00 N ATOM 452 CA GLU A 29 -5.894 -5.698 -0.167 1.00 0.00 C ATOM 453 C GLU A 29 -6.784 -6.666 -0.940 1.00 0.00 C ATOM 454 O GLU A 29 -6.949 -7.815 -0.542 1.00 0.00 O ATOM 455 CB GLU A 29 -6.728 -4.623 0.518 1.00 0.00 C ATOM 456 CG GLU A 29 -6.551 -4.586 2.022 1.00 0.00 C ATOM 457 CD GLU A 29 -7.527 -3.652 2.704 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.278 -2.428 2.691 1.00 0.00 O ATOM 459 OE2 GLU A 29 -8.538 -4.142 3.247 1.00 0.00 O ATOM 0 H GLU A 29 -4.920 -4.037 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.362 -6.285 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.462 -3.650 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.780 -4.790 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.677 -5.592 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.533 -4.275 2.256 1.00 0.00 H new ATOM 466 N ARG A 30 -7.340 -6.200 -2.056 1.00 0.00 N ATOM 467 CA ARG A 30 -8.205 -7.033 -2.895 1.00 0.00 C ATOM 468 C ARG A 30 -7.522 -8.352 -3.265 1.00 0.00 C ATOM 469 O ARG A 30 -8.154 -9.410 -3.271 1.00 0.00 O ATOM 470 CB ARG A 30 -8.607 -6.276 -4.165 1.00 0.00 C ATOM 471 CG ARG A 30 -7.420 -5.866 -5.020 1.00 0.00 C ATOM 472 CD ARG A 30 -7.850 -5.285 -6.355 1.00 0.00 C ATOM 473 NE ARG A 30 -8.157 -6.342 -7.323 1.00 0.00 N ATOM 474 CZ ARG A 30 -7.772 -6.344 -8.598 1.00 0.00 C ATOM 475 NH1 ARG A 30 -7.055 -5.351 -9.099 1.00 0.00 N ATOM 476 NH2 ARG A 30 -8.106 -7.354 -9.378 1.00 0.00 N ATOM 0 H ARG A 30 -7.208 -5.250 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.101 -7.266 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.274 -6.902 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.170 -5.385 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.823 -5.131 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.781 -6.732 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.727 -4.653 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.058 -4.648 -6.748 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.707 -7.136 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.787 -4.565 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.770 -5.371 -10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.656 -8.127 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.814 -7.362 -10.355 1.00 0.00 H new ATOM 490 N ALA A 31 -6.227 -8.279 -3.561 1.00 0.00 N ATOM 491 CA ALA A 31 -5.451 -9.458 -3.924 1.00 0.00 C ATOM 492 C ALA A 31 -5.065 -10.262 -2.686 1.00 0.00 C ATOM 493 O ALA A 31 -5.119 -11.494 -2.692 1.00 0.00 O ATOM 494 CB ALA A 31 -4.211 -9.050 -4.709 1.00 0.00 C ATOM 0 H ALA A 31 -5.692 -7.410 -3.556 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.070 -10.095 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.639 -9.939 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.511 -8.527 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.594 -8.391 -4.098 1.00 0.00 H new ATOM 500 N GLU A 32 -4.686 -9.559 -1.622 1.00 0.00 N ATOM 501 CA GLU A 32 -4.300 -10.213 -0.372 1.00 0.00 C ATOM 502 C GLU A 32 -5.510 -10.836 0.311 1.00 0.00 C ATOM 503 O GLU A 32 -5.475 -12.003 0.704 1.00 0.00 O ATOM 504 CB GLU A 32 -3.609 -9.225 0.566 1.00 0.00 C ATOM 505 CG GLU A 32 -2.112 -9.472 0.697 1.00 0.00 C ATOM 506 CD GLU A 32 -1.395 -8.362 1.434 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.083 -7.334 0.798 1.00 0.00 O ATOM 508 OE2 GLU A 32 -1.141 -8.523 2.646 1.00 0.00 O ATOM 0 H GLU A 32 -4.638 -8.540 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.596 -11.009 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.773 -8.211 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.069 -9.287 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.949 -10.414 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.678 -9.581 -0.297 1.00 0.00 H new ATOM 515 N GLN A 33 -6.591 -10.070 0.431 1.00 0.00 N ATOM 516 CA GLN A 33 -7.809 -10.586 1.049 1.00 0.00 C ATOM 517 C GLN A 33 -8.268 -11.845 0.318 1.00 0.00 C ATOM 518 O GLN A 33 -8.729 -12.801 0.943 1.00 0.00 O ATOM 519 CB GLN A 33 -8.917 -9.526 1.048 1.00 0.00 C ATOM 520 CG GLN A 33 -9.277 -9.010 2.438 1.00 0.00 C ATOM 521 CD GLN A 33 -8.072 -8.535 3.232 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.054 -8.139 2.670 1.00 0.00 O ATOM 523 NE2 GLN A 33 -8.179 -8.576 4.553 1.00 0.00 N ATOM 0 H GLN A 33 -6.649 -9.103 0.113 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.592 -10.839 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.603 -8.686 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.809 -9.947 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.986 -8.188 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.780 -9.802 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.040 -8.911 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.400 -8.272 5.137 1.00 0.00 H new ATOM 532 N ASN A 34 -8.110 -11.848 -1.008 1.00 0.00 N ATOM 533 CA ASN A 34 -8.481 -13.000 -1.819 1.00 0.00 C ATOM 534 C ASN A 34 -7.693 -14.243 -1.390 1.00 0.00 C ATOM 535 O ASN A 34 -8.253 -15.336 -1.314 1.00 0.00 O ATOM 536 CB ASN A 34 -8.243 -12.709 -3.305 1.00 0.00 C ATOM 537 CG ASN A 34 -9.420 -13.116 -4.171 1.00 0.00 C ATOM 538 OD1 ASN A 34 -9.876 -12.351 -5.016 1.00 0.00 O ATOM 539 ND2 ASN A 34 -9.918 -14.325 -3.970 1.00 0.00 N ATOM 0 H ASN A 34 -7.728 -11.065 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.542 -13.195 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.049 -11.645 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.351 -13.239 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.708 -14.650 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.512 -14.932 -3.258 1.00 0.00 H new ATOM 546 N ARG A 35 -6.396 -14.076 -1.100 1.00 0.00 N ATOM 547 CA ARG A 35 -5.568 -15.206 -0.669 1.00 0.00 C ATOM 548 C ARG A 35 -5.808 -15.543 0.805 1.00 0.00 C ATOM 549 O ARG A 35 -5.682 -16.698 1.210 1.00 0.00 O ATOM 550 CB ARG A 35 -4.078 -14.941 -0.928 1.00 0.00 C ATOM 551 CG ARG A 35 -3.515 -13.772 -0.144 1.00 0.00 C ATOM 552 CD ARG A 35 -1.995 -13.720 -0.218 1.00 0.00 C ATOM 553 NE ARG A 35 -1.371 -14.708 0.671 1.00 0.00 N ATOM 554 CZ ARG A 35 -0.062 -14.847 0.845 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.789 -14.069 0.206 1.00 0.00 N ATOM 556 NH2 ARG A 35 0.393 -15.775 1.665 1.00 0.00 N ATOM 0 H ARG A 35 -5.905 -13.184 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.865 -16.069 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.511 -15.838 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.932 -14.756 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.930 -12.841 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.826 -13.850 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.675 -13.901 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.652 -12.721 0.051 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.987 -15.332 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.444 -13.350 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.792 -14.186 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.260 -16.381 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.398 -15.886 1.802 1.00 0.00 H new ATOM 570 N ILE A 36 -6.164 -14.532 1.598 1.00 0.00 N ATOM 571 CA ILE A 36 -6.431 -14.725 3.028 1.00 0.00 C ATOM 572 C ILE A 36 -7.624 -15.655 3.255 1.00 0.00 C ATOM 573 O ILE A 36 -7.587 -16.528 4.123 1.00 0.00 O ATOM 574 CB ILE A 36 -6.691 -13.376 3.743 1.00 0.00 C ATOM 575 CG1 ILE A 36 -5.425 -12.516 3.740 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.167 -13.607 5.172 1.00 0.00 C ATOM 577 CD1 ILE A 36 -5.684 -11.057 4.050 1.00 0.00 C ATOM 0 H ILE A 36 -6.275 -13.570 1.277 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.539 -15.185 3.453 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.474 -12.848 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.723 -12.915 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.946 -12.592 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.344 -12.647 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.093 -14.183 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.406 -14.157 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.742 -10.508 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.362 -10.641 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.135 -10.970 5.039 1.00 0.00 H new ATOM 589 N ILE A 37 -8.677 -15.459 2.468 1.00 0.00 N ATOM 590 CA ILE A 37 -9.886 -16.276 2.577 1.00 0.00 C ATOM 591 C ILE A 37 -9.628 -17.714 2.120 1.00 0.00 C ATOM 592 O ILE A 37 -10.109 -18.665 2.736 1.00 0.00 O ATOM 593 CB ILE A 37 -11.051 -15.681 1.747 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.313 -14.222 2.138 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.317 -16.509 1.929 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.318 -13.978 3.632 1.00 0.00 C ATOM 0 H ILE A 37 -8.720 -14.740 1.745 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.167 -16.279 3.630 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.763 -15.709 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.552 -13.591 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.274 -13.913 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.124 -16.075 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.134 -17.531 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.600 -16.514 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.510 -12.923 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.098 -14.581 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.350 -14.254 4.049 1.00 0.00 H new ATOM 608 N PHE A 38 -8.867 -17.859 1.036 1.00 0.00 N ATOM 609 CA PHE A 38 -8.539 -19.178 0.479 1.00 0.00 C ATOM 610 C PHE A 38 -8.043 -20.159 1.547 1.00 0.00 C ATOM 611 O PHE A 38 -8.408 -21.336 1.534 1.00 0.00 O ATOM 612 CB PHE A 38 -7.485 -19.033 -0.624 1.00 0.00 C ATOM 613 CG PHE A 38 -7.584 -20.085 -1.694 1.00 0.00 C ATOM 614 CD1 PHE A 38 -7.258 -21.405 -1.420 1.00 0.00 C ATOM 615 CD2 PHE A 38 -8.001 -19.753 -2.972 1.00 0.00 C ATOM 616 CE1 PHE A 38 -7.346 -22.372 -2.402 1.00 0.00 C ATOM 617 CE2 PHE A 38 -8.091 -20.718 -3.958 1.00 0.00 C ATOM 618 CZ PHE A 38 -7.764 -22.029 -3.673 1.00 0.00 C ATOM 0 H PHE A 38 -8.462 -17.077 0.521 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.459 -19.589 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.585 -18.049 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.493 -19.076 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.932 -21.680 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.259 -18.729 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.088 -23.396 -2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.417 -20.446 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.835 -22.784 -4.442 1.00 0.00 H new