USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 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= 0.431 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 111:sc= 0.952 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.16 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.095) USER MOD Single : A 33 GLN : amide:sc= 1.19 K(o=1.2,f=-0.71) USER MOD Single : A 34 ASN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 1.600 29.099 -5.356 1.00 0.00 N ATOM 44 CA SER A 5 1.268 27.669 -5.352 1.00 0.00 C ATOM 45 C SER A 5 2.398 26.799 -4.782 1.00 0.00 C ATOM 46 O SER A 5 2.364 25.572 -4.917 1.00 0.00 O ATOM 47 CB SER A 5 0.925 27.209 -6.773 1.00 0.00 C ATOM 48 OG SER A 5 0.516 25.850 -6.790 1.00 0.00 O ATOM 0 HA SER A 5 0.405 27.543 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.130 27.835 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.793 27.338 -7.419 1.00 0.00 H new ATOM 0 HG SER A 5 1.160 25.308 -6.288 1.00 0.00 H new ATOM 54 N LEU A 6 3.387 27.424 -4.141 1.00 0.00 N ATOM 55 CA LEU A 6 4.511 26.683 -3.556 1.00 0.00 C ATOM 56 C LEU A 6 4.035 25.674 -2.509 1.00 0.00 C ATOM 57 O LEU A 6 4.502 24.536 -2.474 1.00 0.00 O ATOM 58 CB LEU A 6 5.542 27.641 -2.942 1.00 0.00 C ATOM 59 CG LEU A 6 4.982 28.670 -1.959 1.00 0.00 C ATOM 60 CD1 LEU A 6 5.199 28.219 -0.525 1.00 0.00 C ATOM 61 CD2 LEU A 6 5.626 30.027 -2.188 1.00 0.00 C ATOM 0 H LEU A 6 3.435 28.435 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 6 4.989 26.130 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.301 27.050 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.044 28.173 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 6 3.909 28.758 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.793 28.966 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.694 27.267 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.266 28.100 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.217 30.748 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.703 29.948 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.421 30.360 -3.205 1.00 0.00 H new ATOM 73 N SER A 7 3.098 26.096 -1.666 1.00 0.00 N ATOM 74 CA SER A 7 2.549 25.225 -0.622 1.00 0.00 C ATOM 75 C SER A 7 1.480 24.280 -1.181 1.00 0.00 C ATOM 76 O SER A 7 1.154 23.269 -0.557 1.00 0.00 O ATOM 77 CB SER A 7 1.960 26.065 0.516 1.00 0.00 C ATOM 78 OG SER A 7 2.300 25.517 1.781 1.00 0.00 O ATOM 0 H SER A 7 2.700 27.035 -1.682 1.00 0.00 H new ATOM 0 HA SER A 7 3.367 24.617 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.330 27.088 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.876 26.111 0.415 1.00 0.00 H new ATOM 0 HG SER A 7 1.915 26.071 2.492 1.00 0.00 H new ATOM 84 N ILE A 8 0.940 24.607 -2.356 1.00 0.00 N ATOM 85 CA ILE A 8 -0.090 23.782 -2.995 1.00 0.00 C ATOM 86 C ILE A 8 0.510 22.578 -3.691 1.00 0.00 C ATOM 87 O ILE A 8 0.028 21.460 -3.531 1.00 0.00 O ATOM 88 CB ILE A 8 -0.930 24.600 -4.006 1.00 0.00 C ATOM 89 CG1 ILE A 8 -1.394 25.919 -3.382 1.00 0.00 C ATOM 90 CG2 ILE A 8 -2.128 23.792 -4.483 1.00 0.00 C ATOM 91 CD1 ILE A 8 -2.050 26.858 -4.370 1.00 0.00 C ATOM 0 H ILE A 8 1.199 25.439 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.746 23.433 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.300 24.828 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.096 25.703 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.537 26.420 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.706 24.383 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.782 22.880 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.755 23.534 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.353 27.771 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.343 27.104 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.927 26.376 -4.802 1.00 0.00 H new ATOM 103 N ASP A 9 1.563 22.818 -4.445 1.00 0.00 N ATOM 104 CA ASP A 9 2.258 21.752 -5.174 1.00 0.00 C ATOM 105 C ASP A 9 2.498 20.539 -4.272 1.00 0.00 C ATOM 106 O ASP A 9 2.093 19.417 -4.589 1.00 0.00 O ATOM 107 CB ASP A 9 3.585 22.273 -5.739 1.00 0.00 C ATOM 108 CG ASP A 9 4.174 21.348 -6.785 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.785 20.329 -6.399 1.00 0.00 O ATOM 110 OD2 ASP A 9 4.023 21.642 -7.988 1.00 0.00 O ATOM 0 H ASP A 9 1.966 23.746 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 9 1.625 21.436 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.427 23.258 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.299 22.397 -4.925 1.00 0.00 H new ATOM 115 N LEU A 10 3.144 20.784 -3.139 1.00 0.00 N ATOM 116 CA LEU A 10 3.435 19.729 -2.167 1.00 0.00 C ATOM 117 C LEU A 10 2.151 19.202 -1.517 1.00 0.00 C ATOM 118 O LEU A 10 1.925 17.990 -1.466 1.00 0.00 O ATOM 119 CB LEU A 10 4.403 20.244 -1.094 1.00 0.00 C ATOM 120 CG LEU A 10 3.944 21.495 -0.335 1.00 0.00 C ATOM 121 CD1 LEU A 10 3.400 21.121 1.034 1.00 0.00 C ATOM 122 CD2 LEU A 10 5.089 22.484 -0.196 1.00 0.00 C ATOM 0 H LEU A 10 3.479 21.708 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 10 3.905 18.903 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.576 19.446 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.361 20.459 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 10 3.145 21.967 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.080 22.022 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.551 20.448 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.179 20.624 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.745 23.365 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.908 22.018 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.437 22.779 -1.186 1.00 0.00 H new ATOM 134 N THR A 11 1.310 20.118 -1.028 1.00 0.00 N ATOM 135 CA THR A 11 0.049 19.744 -0.383 1.00 0.00 C ATOM 136 C THR A 11 -0.825 18.928 -1.324 1.00 0.00 C ATOM 137 O THR A 11 -1.279 17.842 -0.966 1.00 0.00 O ATOM 138 CB THR A 11 -0.711 20.985 0.090 1.00 0.00 C ATOM 139 OG1 THR A 11 0.092 21.762 0.954 1.00 0.00 O ATOM 140 CG2 THR A 11 -1.989 20.665 0.832 1.00 0.00 C ATOM 0 H THR A 11 1.480 21.123 -1.067 1.00 0.00 H new ATOM 0 HA THR A 11 0.292 19.131 0.485 1.00 0.00 H new ATOM 0 HB THR A 11 -0.964 21.528 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.330 22.603 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.474 21.592 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.657 20.103 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.758 20.069 1.715 1.00 0.00 H new ATOM 148 N PHE A 12 -1.049 19.446 -2.534 1.00 0.00 N ATOM 149 CA PHE A 12 -1.856 18.747 -3.524 1.00 0.00 C ATOM 150 C PHE A 12 -1.302 17.347 -3.801 1.00 0.00 C ATOM 151 O PHE A 12 -2.059 16.415 -4.073 1.00 0.00 O ATOM 152 CB PHE A 12 -1.915 19.566 -4.811 1.00 0.00 C ATOM 153 CG PHE A 12 -3.298 20.029 -5.160 1.00 0.00 C ATOM 154 CD1 PHE A 12 -3.961 20.924 -4.338 1.00 0.00 C ATOM 155 CD2 PHE A 12 -3.934 19.571 -6.300 1.00 0.00 C ATOM 156 CE1 PHE A 12 -5.237 21.355 -4.647 1.00 0.00 C ATOM 157 CE2 PHE A 12 -5.210 19.997 -6.615 1.00 0.00 C ATOM 158 CZ PHE A 12 -5.863 20.891 -5.788 1.00 0.00 C ATOM 0 H PHE A 12 -0.682 20.345 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.865 18.630 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.264 20.434 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.522 18.967 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.476 21.289 -3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.428 18.873 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.744 22.053 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.697 19.631 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.860 21.226 -6.033 1.00 0.00 H new ATOM 168 N HIS A 13 0.021 17.204 -3.715 1.00 0.00 N ATOM 169 CA HIS A 13 0.677 15.917 -3.941 1.00 0.00 C ATOM 170 C HIS A 13 0.541 15.011 -2.712 1.00 0.00 C ATOM 171 O HIS A 13 0.174 13.834 -2.831 1.00 0.00 O ATOM 172 CB HIS A 13 2.157 16.130 -4.281 1.00 0.00 C ATOM 173 CG HIS A 13 2.697 15.144 -5.270 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.970 15.468 -6.581 1.00 0.00 N ATOM 175 CD2 HIS A 13 3.021 13.838 -5.132 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.439 14.404 -7.208 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.480 13.401 -6.351 1.00 0.00 N ATOM 0 H HIS A 13 0.660 17.966 -3.490 1.00 0.00 H new ATOM 0 HA HIS A 13 0.187 15.427 -4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.288 17.137 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.743 16.069 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.935 13.248 -4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.738 14.362 -8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.800 12.455 -6.560 1.00 0.00 H new ATOM 186 N LEU A 14 0.827 15.560 -1.529 1.00 0.00 N ATOM 187 CA LEU A 14 0.724 14.788 -0.291 1.00 0.00 C ATOM 188 C LEU A 14 -0.737 14.455 0.027 1.00 0.00 C ATOM 189 O LEU A 14 -1.057 13.309 0.359 1.00 0.00 O ATOM 190 CB LEU A 14 1.387 15.525 0.885 1.00 0.00 C ATOM 191 CG LEU A 14 0.844 16.919 1.195 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.221 16.857 2.278 1.00 0.00 C ATOM 193 CD2 LEU A 14 1.974 17.841 1.622 1.00 0.00 C ATOM 0 H LEU A 14 1.129 16.526 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 14 1.261 13.851 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.283 14.909 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.454 15.610 0.679 1.00 0.00 H new ATOM 0 HG LEU A 14 0.387 17.316 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.592 17.862 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.045 16.227 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.209 16.438 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.573 18.831 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.454 17.439 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.707 17.915 0.818 1.00 0.00 H new ATOM 205 N LEU A 15 -1.628 15.445 -0.096 1.00 0.00 N ATOM 206 CA LEU A 15 -3.049 15.223 0.167 1.00 0.00 C ATOM 207 C LEU A 15 -3.624 14.225 -0.833 1.00 0.00 C ATOM 208 O LEU A 15 -4.406 13.345 -0.462 1.00 0.00 O ATOM 209 CB LEU A 15 -3.831 16.548 0.154 1.00 0.00 C ATOM 210 CG LEU A 15 -4.352 17.013 -1.211 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.714 16.404 -1.502 1.00 0.00 C ATOM 212 CD2 LEU A 15 -4.436 18.531 -1.255 1.00 0.00 C ATOM 0 H LEU A 15 -1.391 16.398 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.152 14.798 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.680 16.451 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.188 17.329 0.560 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.653 16.677 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.065 16.747 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.633 15.317 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.422 16.711 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.807 18.847 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.115 18.881 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.446 18.955 -1.089 1.00 0.00 H new ATOM 224 N ARG A 16 -3.198 14.333 -2.089 1.00 0.00 N ATOM 225 CA ARG A 16 -3.638 13.401 -3.121 1.00 0.00 C ATOM 226 C ARG A 16 -3.251 11.991 -2.695 1.00 0.00 C ATOM 227 O ARG A 16 -4.087 11.096 -2.611 1.00 0.00 O ATOM 228 CB ARG A 16 -2.987 13.734 -4.470 1.00 0.00 C ATOM 229 CG ARG A 16 -2.800 12.517 -5.370 1.00 0.00 C ATOM 230 CD ARG A 16 -2.569 12.894 -6.828 1.00 0.00 C ATOM 231 NE ARG A 16 -3.243 14.142 -7.203 1.00 0.00 N ATOM 232 CZ ARG A 16 -4.499 14.227 -7.629 1.00 0.00 C ATOM 233 NH1 ARG A 16 -5.266 13.154 -7.703 1.00 0.00 N ATOM 234 NH2 ARG A 16 -4.992 15.403 -7.967 1.00 0.00 N ATOM 0 H ARG A 16 -2.552 15.052 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.719 13.478 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.601 14.470 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.017 14.197 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.953 11.932 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.681 11.879 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.499 12.996 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.925 12.087 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.709 15.008 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.896 12.243 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.228 13.236 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.410 16.238 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.955 15.477 -8.295 1.00 0.00 H new ATOM 248 N THR A 17 -1.964 11.825 -2.409 1.00 0.00 N ATOM 249 CA THR A 17 -1.413 10.546 -1.969 1.00 0.00 C ATOM 250 C THR A 17 -2.178 9.993 -0.765 1.00 0.00 C ATOM 251 O THR A 17 -2.533 8.813 -0.743 1.00 0.00 O ATOM 252 CB THR A 17 0.071 10.703 -1.621 1.00 0.00 C ATOM 253 OG1 THR A 17 0.763 11.375 -2.662 1.00 0.00 O ATOM 254 CG2 THR A 17 0.777 9.386 -1.393 1.00 0.00 C ATOM 0 H THR A 17 -1.273 12.572 -2.475 1.00 0.00 H new ATOM 0 HA THR A 17 -1.518 9.836 -2.789 1.00 0.00 H new ATOM 0 HB THR A 17 0.087 11.276 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.823 12.330 -2.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.824 9.571 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.302 8.857 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.716 8.779 -2.296 1.00 0.00 H new ATOM 262 N LEU A 18 -2.435 10.844 0.235 1.00 0.00 N ATOM 263 CA LEU A 18 -3.156 10.416 1.438 1.00 0.00 C ATOM 264 C LEU A 18 -4.541 9.841 1.105 1.00 0.00 C ATOM 265 O LEU A 18 -5.002 8.903 1.759 1.00 0.00 O ATOM 266 CB LEU A 18 -3.271 11.582 2.437 1.00 0.00 C ATOM 267 CG LEU A 18 -4.601 12.347 2.435 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.628 11.642 3.308 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.395 13.774 2.917 1.00 0.00 C ATOM 0 H LEU A 18 -2.157 11.825 0.235 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.580 9.614 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.102 11.191 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.468 12.290 2.231 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.976 12.374 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.564 12.201 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.800 10.636 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.257 11.584 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.349 14.302 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.996 13.761 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.693 14.283 2.257 1.00 0.00 H new ATOM 281 N LEU A 19 -5.205 10.408 0.093 1.00 0.00 N ATOM 282 CA LEU A 19 -6.540 9.946 -0.298 1.00 0.00 C ATOM 283 C LEU A 19 -6.507 8.941 -1.458 1.00 0.00 C ATOM 284 O LEU A 19 -7.391 8.085 -1.564 1.00 0.00 O ATOM 285 CB LEU A 19 -7.431 11.145 -0.654 1.00 0.00 C ATOM 286 CG LEU A 19 -7.233 11.725 -2.058 1.00 0.00 C ATOM 287 CD1 LEU A 19 -8.257 11.155 -3.024 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.325 13.241 -2.023 1.00 0.00 C ATOM 0 H LEU A 19 -4.844 11.181 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.959 9.421 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.473 10.844 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.253 11.936 0.075 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.239 11.444 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.098 11.580 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.148 10.072 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.261 11.404 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.182 13.637 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.306 13.538 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.553 13.637 -1.364 1.00 0.00 H new ATOM 315 N LEU A 21 -3.947 6.811 -2.102 1.00 0.00 N ATOM 316 CA LEU A 21 -3.297 5.584 -1.618 1.00 0.00 C ATOM 317 C LEU A 21 -4.337 4.502 -1.335 1.00 0.00 C ATOM 318 O LEU A 21 -4.063 3.309 -1.490 1.00 0.00 O ATOM 319 CB LEU A 21 -2.459 5.864 -0.361 1.00 0.00 C ATOM 320 CG LEU A 21 -3.251 6.123 0.925 1.00 0.00 C ATOM 321 CD1 LEU A 21 -3.619 4.813 1.605 1.00 0.00 C ATOM 322 CD2 LEU A 21 -2.449 6.998 1.874 1.00 0.00 C ATOM 0 HA LEU A 21 -2.627 5.227 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.797 5.015 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.825 6.729 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.171 6.644 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.181 5.021 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.230 4.212 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.710 4.266 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.025 7.173 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.514 6.498 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.231 7.952 1.393 1.00 0.00 H new ATOM 334 N ALA A 22 -5.542 4.936 -0.943 1.00 0.00 N ATOM 335 CA ALA A 22 -6.642 4.015 -0.661 1.00 0.00 C ATOM 336 C ALA A 22 -6.855 3.047 -1.827 1.00 0.00 C ATOM 337 O ALA A 22 -7.269 1.904 -1.627 1.00 0.00 O ATOM 338 CB ALA A 22 -7.920 4.791 -0.362 1.00 0.00 C ATOM 0 H ALA A 22 -5.776 5.920 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.381 3.428 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.730 4.092 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.762 5.432 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.183 5.405 -1.223 1.00 0.00 H new ATOM 344 N ARG A 23 -6.536 3.502 -3.042 1.00 0.00 N ATOM 345 CA ARG A 23 -6.663 2.661 -4.226 1.00 0.00 C ATOM 346 C ARG A 23 -5.492 1.694 -4.279 1.00 0.00 C ATOM 347 O ARG A 23 -5.685 0.483 -4.285 1.00 0.00 O ATOM 348 CB ARG A 23 -6.711 3.508 -5.504 1.00 0.00 C ATOM 349 CG ARG A 23 -7.646 4.704 -5.420 1.00 0.00 C ATOM 350 CD ARG A 23 -8.982 4.329 -4.794 1.00 0.00 C ATOM 351 NE ARG A 23 -9.815 5.506 -4.544 1.00 0.00 N ATOM 352 CZ ARG A 23 -9.496 6.485 -3.703 1.00 0.00 C ATOM 353 NH1 ARG A 23 -8.395 6.419 -2.984 1.00 0.00 N ATOM 354 NH2 ARG A 23 -10.291 7.523 -3.571 1.00 0.00 N ATOM 0 H ARG A 23 -6.190 4.444 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.598 2.104 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.705 3.862 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.021 2.875 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.177 5.493 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.812 5.107 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.512 3.642 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.809 3.801 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.699 5.580 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.778 5.611 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.159 7.175 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.153 7.578 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.046 8.274 -2.926 1.00 0.00 H new ATOM 368 N THR A 24 -4.275 2.244 -4.277 1.00 0.00 N ATOM 369 CA THR A 24 -3.061 1.427 -4.287 1.00 0.00 C ATOM 370 C THR A 24 -3.157 0.350 -3.213 1.00 0.00 C ATOM 371 O THR A 24 -2.883 -0.825 -3.471 1.00 0.00 O ATOM 372 CB THR A 24 -1.827 2.301 -4.050 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.850 3.438 -4.891 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.521 1.579 -4.298 1.00 0.00 C ATOM 0 H THR A 24 -4.105 3.250 -4.269 1.00 0.00 H new ATOM 0 HA THR A 24 -2.964 0.951 -5.263 1.00 0.00 H new ATOM 0 HB THR A 24 -1.874 2.583 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.054 3.985 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.311 2.258 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.447 0.721 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.485 1.237 -5.332 1.00 0.00 H new ATOM 382 N GLN A 25 -3.584 0.757 -2.013 1.00 0.00 N ATOM 383 CA GLN A 25 -3.763 -0.169 -0.903 1.00 0.00 C ATOM 384 C GLN A 25 -4.685 -1.304 -1.324 1.00 0.00 C ATOM 385 O GLN A 25 -4.282 -2.469 -1.349 1.00 0.00 O ATOM 386 CB GLN A 25 -4.351 0.565 0.305 1.00 0.00 C ATOM 387 CG GLN A 25 -3.912 -0.006 1.643 1.00 0.00 C ATOM 388 CD GLN A 25 -3.154 1.003 2.477 1.00 0.00 C ATOM 389 OE1 GLN A 25 -3.742 1.909 3.057 1.00 0.00 O ATOM 390 NE2 GLN A 25 -1.841 0.856 2.537 1.00 0.00 N ATOM 0 H GLN A 25 -3.811 1.726 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.794 -0.582 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.062 1.615 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.439 0.531 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.788 -0.346 2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.283 -0.880 1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.391 0.088 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.279 1.511 3.081 1.00 0.00 H new ATOM 399 N SER A 26 -5.916 -0.943 -1.686 1.00 0.00 N ATOM 400 CA SER A 26 -6.909 -1.915 -2.139 1.00 0.00 C ATOM 401 C SER A 26 -6.392 -2.679 -3.355 1.00 0.00 C ATOM 402 O SER A 26 -6.568 -3.894 -3.452 1.00 0.00 O ATOM 403 CB SER A 26 -8.230 -1.218 -2.476 1.00 0.00 C ATOM 404 OG SER A 26 -9.339 -2.008 -2.076 1.00 0.00 O ATOM 0 H SER A 26 -6.250 0.021 -1.674 1.00 0.00 H new ATOM 0 HA SER A 26 -7.087 -2.624 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.271 -0.249 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.282 -1.028 -3.548 1.00 0.00 H new ATOM 0 HG SER A 26 -10.171 -1.541 -2.300 1.00 0.00 H new ATOM 410 N GLN A 27 -5.737 -1.951 -4.271 1.00 0.00 N ATOM 411 CA GLN A 27 -5.168 -2.538 -5.482 1.00 0.00 C ATOM 412 C GLN A 27 -4.416 -3.822 -5.153 1.00 0.00 C ATOM 413 O GLN A 27 -4.663 -4.867 -5.755 1.00 0.00 O ATOM 414 CB GLN A 27 -4.239 -1.525 -6.161 1.00 0.00 C ATOM 415 CG GLN A 27 -4.443 -1.418 -7.665 1.00 0.00 C ATOM 416 CD GLN A 27 -5.817 -0.887 -8.028 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.068 0.312 -7.961 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.717 -1.779 -8.411 1.00 0.00 N ATOM 0 H GLN A 27 -5.590 -0.945 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.977 -2.789 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.395 -0.544 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.204 -1.805 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.681 -0.763 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.305 -2.400 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.469 -2.768 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.658 -1.478 -8.663 1.00 0.00 H new ATOM 427 N ARG A 28 -3.529 -3.744 -4.170 1.00 0.00 N ATOM 428 CA ARG A 28 -2.776 -4.913 -3.730 1.00 0.00 C ATOM 429 C ARG A 28 -3.606 -5.728 -2.734 1.00 0.00 C ATOM 430 O ARG A 28 -3.590 -6.962 -2.756 1.00 0.00 O ATOM 431 CB ARG A 28 -1.432 -4.509 -3.130 1.00 0.00 C ATOM 432 CG ARG A 28 -1.521 -3.469 -2.027 1.00 0.00 C ATOM 433 CD ARG A 28 -0.160 -3.231 -1.386 1.00 0.00 C ATOM 434 NE ARG A 28 0.717 -4.397 -1.547 1.00 0.00 N ATOM 435 CZ ARG A 28 0.607 -5.513 -0.835 1.00 0.00 C ATOM 436 NH1 ARG A 28 -0.259 -5.589 0.154 1.00 0.00 N ATOM 437 NH2 ARG A 28 1.372 -6.551 -1.109 1.00 0.00 N ATOM 0 H ARG A 28 -3.313 -2.886 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.568 -5.538 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.943 -5.399 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.795 -4.123 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.903 -2.533 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.231 -3.799 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.308 -2.356 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.288 -3.013 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 28 1.456 -4.347 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.850 -4.788 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.339 -6.449 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.050 -6.498 -1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.286 -7.407 -0.561 1.00 0.00 H new ATOM 451 N GLU A 29 -4.352 -5.021 -1.879 1.00 0.00 N ATOM 452 CA GLU A 29 -5.217 -5.641 -0.888 1.00 0.00 C ATOM 453 C GLU A 29 -6.115 -6.700 -1.514 1.00 0.00 C ATOM 454 O GLU A 29 -6.142 -7.835 -1.059 1.00 0.00 O ATOM 455 CB GLU A 29 -6.079 -4.570 -0.218 1.00 0.00 C ATOM 456 CG GLU A 29 -6.140 -4.691 1.289 1.00 0.00 C ATOM 457 CD GLU A 29 -7.460 -4.209 1.868 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.952 -3.146 1.425 1.00 0.00 O ATOM 459 OE2 GLU A 29 -7.999 -4.890 2.765 1.00 0.00 O ATOM 0 H GLU A 29 -4.368 -4.001 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.585 -6.130 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.688 -3.586 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.091 -4.628 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.984 -5.732 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.325 -4.116 1.728 1.00 0.00 H new ATOM 466 N ARG A 30 -6.850 -6.320 -2.556 1.00 0.00 N ATOM 467 CA ARG A 30 -7.762 -7.245 -3.239 1.00 0.00 C ATOM 468 C ARG A 30 -7.075 -8.563 -3.609 1.00 0.00 C ATOM 469 O ARG A 30 -7.714 -9.618 -3.617 1.00 0.00 O ATOM 470 CB ARG A 30 -8.372 -6.589 -4.481 1.00 0.00 C ATOM 471 CG ARG A 30 -7.342 -6.083 -5.472 1.00 0.00 C ATOM 472 CD ARG A 30 -7.993 -5.651 -6.774 1.00 0.00 C ATOM 473 NE ARG A 30 -8.520 -6.799 -7.517 1.00 0.00 N ATOM 474 CZ ARG A 30 -9.578 -6.759 -8.320 1.00 0.00 C ATOM 475 NH1 ARG A 30 -10.242 -5.632 -8.504 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.972 -7.855 -8.938 1.00 0.00 N ATOM 0 H ARG A 30 -6.835 -5.379 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.563 -7.481 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.020 -7.309 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.002 -5.756 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.799 -5.243 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.611 -6.866 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.801 -4.951 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.265 -5.122 -7.388 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.040 -7.693 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.944 -4.781 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.053 -5.613 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.465 -8.729 -8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.784 -7.829 -9.555 1.00 0.00 H new ATOM 490 N ALA A 31 -5.774 -8.501 -3.896 1.00 0.00 N ATOM 491 CA ALA A 31 -5.007 -9.696 -4.243 1.00 0.00 C ATOM 492 C ALA A 31 -4.610 -10.464 -2.983 1.00 0.00 C ATOM 493 O ALA A 31 -4.731 -11.690 -2.926 1.00 0.00 O ATOM 494 CB ALA A 31 -3.776 -9.322 -5.061 1.00 0.00 C ATOM 0 H ALA A 31 -5.231 -7.637 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.636 -10.345 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.217 -10.224 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.087 -8.822 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.143 -8.652 -4.480 1.00 0.00 H new ATOM 500 N GLU A 32 -4.155 -9.731 -1.969 1.00 0.00 N ATOM 501 CA GLU A 32 -3.757 -10.331 -0.696 1.00 0.00 C ATOM 502 C GLU A 32 -4.982 -10.749 0.106 1.00 0.00 C ATOM 503 O GLU A 32 -5.086 -11.893 0.542 1.00 0.00 O ATOM 504 CB GLU A 32 -2.911 -9.350 0.116 1.00 0.00 C ATOM 505 CG GLU A 32 -1.505 -9.863 0.420 1.00 0.00 C ATOM 506 CD GLU A 32 -0.476 -8.755 0.513 1.00 0.00 C ATOM 507 OE1 GLU A 32 -0.701 -7.788 1.271 1.00 0.00 O ATOM 508 OE2 GLU A 32 0.562 -8.843 -0.178 1.00 0.00 O ATOM 0 H GLU A 32 -4.052 -8.717 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.160 -11.218 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.836 -8.410 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.421 -9.134 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.521 -10.415 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.205 -10.565 -0.358 1.00 0.00 H new ATOM 515 N GLN A 33 -5.922 -9.824 0.272 1.00 0.00 N ATOM 516 CA GLN A 33 -7.155 -10.103 0.992 1.00 0.00 C ATOM 517 C GLN A 33 -7.820 -11.356 0.430 1.00 0.00 C ATOM 518 O GLN A 33 -8.391 -12.155 1.174 1.00 0.00 O ATOM 519 CB GLN A 33 -8.098 -8.905 0.891 1.00 0.00 C ATOM 520 CG GLN A 33 -7.881 -7.861 1.977 1.00 0.00 C ATOM 521 CD GLN A 33 -8.732 -8.099 3.208 1.00 0.00 C ATOM 522 OE1 GLN A 33 -9.093 -9.232 3.521 1.00 0.00 O ATOM 523 NE2 GLN A 33 -9.060 -7.034 3.918 1.00 0.00 N ATOM 0 H GLN A 33 -5.851 -8.871 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.923 -10.278 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.970 -8.434 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.128 -9.259 0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.830 -7.857 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.104 -6.873 1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.742 -6.109 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.631 -7.136 4.757 1.00 0.00 H new ATOM 532 N ASN A 34 -7.707 -11.539 -0.889 1.00 0.00 N ATOM 533 CA ASN A 34 -8.260 -12.708 -1.550 1.00 0.00 C ATOM 534 C ASN A 34 -7.640 -13.978 -0.972 1.00 0.00 C ATOM 535 O ASN A 34 -8.352 -14.916 -0.624 1.00 0.00 O ATOM 536 CB ASN A 34 -8.013 -12.633 -3.059 1.00 0.00 C ATOM 537 CG ASN A 34 -9.297 -12.682 -3.860 1.00 0.00 C ATOM 538 OD1 ASN A 34 -9.850 -13.749 -4.105 1.00 0.00 O ATOM 539 ND2 ASN A 34 -9.780 -11.521 -4.274 1.00 0.00 N ATOM 0 H ASN A 34 -7.235 -10.886 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.336 -12.733 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.479 -11.712 -3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.369 -13.459 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.642 -11.492 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.290 -10.655 -4.049 1.00 0.00 H new ATOM 546 N ARG A 35 -6.309 -13.993 -0.849 1.00 0.00 N ATOM 547 CA ARG A 35 -5.621 -15.154 -0.285 1.00 0.00 C ATOM 548 C ARG A 35 -5.737 -15.174 1.239 1.00 0.00 C ATOM 549 O ARG A 35 -5.818 -16.244 1.844 1.00 0.00 O ATOM 550 CB ARG A 35 -4.151 -15.199 -0.713 1.00 0.00 C ATOM 551 CG ARG A 35 -3.379 -13.936 -0.393 1.00 0.00 C ATOM 552 CD ARG A 35 -1.882 -14.193 -0.359 1.00 0.00 C ATOM 553 NE ARG A 35 -1.501 -15.009 0.799 1.00 0.00 N ATOM 554 CZ ARG A 35 -0.378 -15.710 0.891 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.502 -15.705 -0.089 1.00 0.00 N ATOM 556 NH2 ARG A 35 -0.140 -16.427 1.971 1.00 0.00 N ATOM 0 H ARG A 35 -5.696 -13.227 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.111 -16.045 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.666 -16.043 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.101 -15.381 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.602 -13.173 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.704 -13.544 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.578 -14.697 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.350 -13.242 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.145 -15.040 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.324 -15.158 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.361 -16.248 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.818 -16.442 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.722 -16.967 2.045 1.00 0.00 H new ATOM 570 N ILE A 36 -5.764 -13.987 1.850 1.00 0.00 N ATOM 571 CA ILE A 36 -5.888 -13.874 3.306 1.00 0.00 C ATOM 572 C ILE A 36 -7.165 -14.552 3.788 1.00 0.00 C ATOM 573 O ILE A 36 -7.143 -15.348 4.727 1.00 0.00 O ATOM 574 CB ILE A 36 -5.880 -12.398 3.773 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.525 -11.742 3.474 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.202 -12.302 5.260 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.414 -12.169 4.411 1.00 0.00 C ATOM 0 H ILE A 36 -5.702 -13.094 1.362 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.022 -14.373 3.741 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.651 -11.862 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.235 -11.981 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.637 -10.659 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.191 -11.256 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.189 -12.725 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.456 -12.856 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.490 -11.662 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.680 -11.905 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.272 -13.247 4.339 1.00 0.00 H new ATOM 589 N ILE A 37 -8.272 -14.245 3.121 1.00 0.00 N ATOM 590 CA ILE A 37 -9.566 -14.837 3.459 1.00 0.00 C ATOM 591 C ILE A 37 -9.641 -16.288 2.974 1.00 0.00 C ATOM 592 O ILE A 37 -10.222 -17.146 3.643 1.00 0.00 O ATOM 593 CB ILE A 37 -10.734 -14.030 2.847 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.756 -12.608 3.412 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.065 -14.721 3.111 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.232 -11.570 2.420 1.00 0.00 C ATOM 0 H ILE A 37 -8.302 -13.588 2.341 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.658 -14.813 4.545 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.581 -13.977 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.403 -12.584 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.753 -12.344 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.872 -14.135 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.053 -15.715 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.223 -14.807 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.222 -10.586 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.571 -11.565 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.247 -11.809 2.102 1.00 0.00 H new ATOM 608 N PHE A 38 -9.042 -16.554 1.808 1.00 0.00 N ATOM 609 CA PHE A 38 -9.028 -17.896 1.215 1.00 0.00 C ATOM 610 C PHE A 38 -8.648 -18.981 2.227 1.00 0.00 C ATOM 611 O PHE A 38 -9.149 -20.102 2.151 1.00 0.00 O ATOM 612 CB PHE A 38 -8.063 -17.939 0.026 1.00 0.00 C ATOM 613 CG PHE A 38 -8.680 -18.487 -1.228 1.00 0.00 C ATOM 614 CD1 PHE A 38 -8.897 -19.847 -1.372 1.00 0.00 C ATOM 615 CD2 PHE A 38 -9.040 -17.641 -2.263 1.00 0.00 C ATOM 616 CE1 PHE A 38 -9.463 -20.354 -2.526 1.00 0.00 C ATOM 617 CE2 PHE A 38 -9.606 -18.140 -3.421 1.00 0.00 C ATOM 618 CZ PHE A 38 -9.818 -19.499 -3.553 1.00 0.00 C ATOM 0 H PHE A 38 -8.556 -15.850 1.252 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.043 -18.104 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.696 -16.932 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.199 -18.548 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.621 -20.519 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.877 -16.578 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.628 -21.417 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.882 -17.469 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.260 -19.893 -4.456 1.00 0.00 H new