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 -36:sc= 0.884 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 11 THR OG1 : rot 67:sc= 1.07 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.95! C(o=-1.9!,f=-14!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.65! C(o=-1.6!,f=-13!) USER MOD Single : A 33 GLN : amide:sc= -0.0708 K(o=-0.071,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= 1.02 K(o=1,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 2.288 27.871 -8.358 1.00 0.00 N ATOM 44 CA SER A 5 1.722 26.528 -8.175 1.00 0.00 C ATOM 45 C SER A 5 2.688 25.587 -7.448 1.00 0.00 C ATOM 46 O SER A 5 2.429 24.385 -7.344 1.00 0.00 O ATOM 47 CB SER A 5 1.319 25.925 -9.525 1.00 0.00 C ATOM 48 OG SER A 5 0.659 24.679 -9.351 1.00 0.00 O ATOM 0 HA SER A 5 0.836 26.638 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.664 26.616 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.205 25.787 -10.145 1.00 0.00 H new ATOM 0 HG SER A 5 1.058 24.200 -8.595 1.00 0.00 H new ATOM 54 N LEU A 6 3.790 26.135 -6.935 1.00 0.00 N ATOM 55 CA LEU A 6 4.784 25.337 -6.210 1.00 0.00 C ATOM 56 C LEU A 6 4.178 24.712 -4.953 1.00 0.00 C ATOM 57 O LEU A 6 4.347 23.519 -4.699 1.00 0.00 O ATOM 58 CB LEU A 6 6.009 26.190 -5.850 1.00 0.00 C ATOM 59 CG LEU A 6 5.704 27.534 -5.186 1.00 0.00 C ATOM 60 CD1 LEU A 6 6.102 27.513 -3.720 1.00 0.00 C ATOM 61 CD2 LEU A 6 6.421 28.662 -5.911 1.00 0.00 C ATOM 0 H LEU A 6 4.018 27.127 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 6 5.107 24.529 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.649 25.612 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.581 26.375 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 6 4.630 27.707 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.876 28.479 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.545 26.731 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.170 27.314 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.192 29.610 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.497 28.489 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.089 28.697 -6.949 1.00 0.00 H new ATOM 73 N SER A 7 3.461 25.524 -4.181 1.00 0.00 N ATOM 74 CA SER A 7 2.813 25.060 -2.952 1.00 0.00 C ATOM 75 C SER A 7 1.657 24.104 -3.255 1.00 0.00 C ATOM 76 O SER A 7 1.269 23.297 -2.406 1.00 0.00 O ATOM 77 CB SER A 7 2.300 26.251 -2.135 1.00 0.00 C ATOM 78 OG SER A 7 3.142 27.384 -2.292 1.00 0.00 O ATOM 0 H SER A 7 3.312 26.512 -4.384 1.00 0.00 H new ATOM 0 HA SER A 7 3.560 24.519 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.287 26.501 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.248 25.977 -1.081 1.00 0.00 H new ATOM 0 HG SER A 7 2.790 28.129 -1.761 1.00 0.00 H new ATOM 84 N ILE A 8 1.111 24.194 -4.469 1.00 0.00 N ATOM 85 CA ILE A 8 0.003 23.331 -4.879 1.00 0.00 C ATOM 86 C ILE A 8 0.499 21.986 -5.349 1.00 0.00 C ATOM 87 O ILE A 8 -0.037 20.962 -4.953 1.00 0.00 O ATOM 88 CB ILE A 8 -0.871 23.981 -5.979 1.00 0.00 C ATOM 89 CG1 ILE A 8 -1.036 25.485 -5.735 1.00 0.00 C ATOM 90 CG2 ILE A 8 -2.236 23.311 -6.030 1.00 0.00 C ATOM 91 CD1 ILE A 8 -1.528 26.244 -6.948 1.00 0.00 C ATOM 0 H ILE A 8 1.417 24.854 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.619 23.190 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.367 23.842 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.736 25.637 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.079 25.901 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.841 23.777 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.113 22.251 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.733 23.424 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.621 27.302 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.818 26.123 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.500 25.855 -7.251 1.00 0.00 H new ATOM 103 N ASP A 9 1.528 21.995 -6.167 1.00 0.00 N ATOM 104 CA ASP A 9 2.112 20.753 -6.681 1.00 0.00 C ATOM 105 C ASP A 9 2.355 19.761 -5.542 1.00 0.00 C ATOM 106 O ASP A 9 1.838 18.639 -5.553 1.00 0.00 O ATOM 107 CB ASP A 9 3.418 21.038 -7.429 1.00 0.00 C ATOM 108 CG ASP A 9 4.073 19.770 -7.938 1.00 0.00 C ATOM 109 OD1 ASP A 9 3.565 19.192 -8.922 1.00 0.00 O ATOM 110 OD2 ASP A 9 5.087 19.350 -7.345 1.00 0.00 O ATOM 0 H ASP A 9 1.986 22.845 -6.497 1.00 0.00 H new ATOM 0 HA ASP A 9 1.405 20.309 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.216 21.703 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.108 21.561 -6.766 1.00 0.00 H new ATOM 115 N LEU A 10 3.126 20.197 -4.554 1.00 0.00 N ATOM 116 CA LEU A 10 3.436 19.369 -3.386 1.00 0.00 C ATOM 117 C LEU A 10 2.157 18.980 -2.637 1.00 0.00 C ATOM 118 O LEU A 10 1.971 17.814 -2.272 1.00 0.00 O ATOM 119 CB LEU A 10 4.403 20.106 -2.448 1.00 0.00 C ATOM 120 CG LEU A 10 3.892 21.439 -1.892 1.00 0.00 C ATOM 121 CD1 LEU A 10 3.274 21.240 -0.517 1.00 0.00 C ATOM 122 CD2 LEU A 10 5.022 22.453 -1.821 1.00 0.00 C ATOM 0 H LEU A 10 3.552 21.124 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 10 3.917 18.455 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.641 19.450 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.334 20.289 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 10 3.124 21.821 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.916 22.197 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.439 20.544 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.024 20.837 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.642 23.394 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.809 22.075 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.426 22.618 -2.820 1.00 0.00 H new ATOM 134 N THR A 11 1.269 19.956 -2.429 1.00 0.00 N ATOM 135 CA THR A 11 -0.001 19.711 -1.744 1.00 0.00 C ATOM 136 C THR A 11 -0.855 18.759 -2.567 1.00 0.00 C ATOM 137 O THR A 11 -1.291 17.716 -2.073 1.00 0.00 O ATOM 138 CB THR A 11 -0.750 21.023 -1.493 1.00 0.00 C ATOM 139 OG1 THR A 11 0.075 21.947 -0.807 1.00 0.00 O ATOM 140 CG2 THR A 11 -2.008 20.851 -0.670 1.00 0.00 C ATOM 0 H THR A 11 1.407 20.922 -2.725 1.00 0.00 H new ATOM 0 HA THR A 11 0.208 19.255 -0.776 1.00 0.00 H new ATOM 0 HB THR A 11 -1.025 21.387 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.817 22.217 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.487 21.820 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.692 20.179 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.752 20.430 0.302 1.00 0.00 H new ATOM 148 N PHE A 12 -1.062 19.106 -3.836 1.00 0.00 N ATOM 149 CA PHE A 12 -1.827 18.275 -4.754 1.00 0.00 C ATOM 150 C PHE A 12 -1.330 16.828 -4.718 1.00 0.00 C ATOM 151 O PHE A 12 -2.120 15.885 -4.801 1.00 0.00 O ATOM 152 CB PHE A 12 -1.687 18.832 -6.171 1.00 0.00 C ATOM 153 CG PHE A 12 -2.968 19.327 -6.774 1.00 0.00 C ATOM 154 CD1 PHE A 12 -4.114 18.552 -6.743 1.00 0.00 C ATOM 155 CD2 PHE A 12 -3.018 20.571 -7.376 1.00 0.00 C ATOM 156 CE1 PHE A 12 -5.291 19.012 -7.303 1.00 0.00 C ATOM 157 CE2 PHE A 12 -4.191 21.038 -7.938 1.00 0.00 C ATOM 158 CZ PHE A 12 -5.329 20.256 -7.901 1.00 0.00 C ATOM 0 H PHE A 12 -0.705 19.966 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.874 18.286 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.967 19.650 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.274 18.055 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.089 17.578 -6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.130 21.185 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.180 18.399 -7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.218 22.012 -8.405 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.248 20.617 -8.339 1.00 0.00 H new ATOM 168 N HIS A 13 -0.012 16.667 -4.593 1.00 0.00 N ATOM 169 CA HIS A 13 0.609 15.344 -4.547 1.00 0.00 C ATOM 170 C HIS A 13 0.422 14.677 -3.182 1.00 0.00 C ATOM 171 O HIS A 13 0.035 13.504 -3.109 1.00 0.00 O ATOM 172 CB HIS A 13 2.099 15.445 -4.888 1.00 0.00 C ATOM 173 CG HIS A 13 2.604 14.293 -5.699 1.00 0.00 C ATOM 174 ND1 HIS A 13 3.140 14.440 -6.960 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.657 12.970 -5.421 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.499 13.255 -7.424 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.217 12.345 -6.508 1.00 0.00 N ATOM 0 H HIS A 13 0.648 17.441 -4.522 1.00 0.00 H new ATOM 0 HA HIS A 13 0.113 14.720 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.277 16.370 -5.436 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.672 15.507 -3.963 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.321 12.493 -4.512 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.947 13.063 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.387 11.343 -6.594 1.00 0.00 H new ATOM 186 N LEU A 14 0.694 15.411 -2.099 1.00 0.00 N ATOM 187 CA LEU A 14 0.539 14.849 -0.755 1.00 0.00 C ATOM 188 C LEU A 14 -0.931 14.548 -0.453 1.00 0.00 C ATOM 189 O LEU A 14 -1.251 13.472 0.056 1.00 0.00 O ATOM 190 CB LEU A 14 1.146 15.767 0.317 1.00 0.00 C ATOM 191 CG LEU A 14 0.495 17.140 0.461 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.654 17.092 1.457 1.00 0.00 C ATOM 193 CD2 LEU A 14 1.524 18.172 0.891 1.00 0.00 C ATOM 0 H LEU A 14 1.017 16.378 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 14 1.090 13.909 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.091 15.257 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.203 15.909 0.091 1.00 0.00 H new ATOM 0 HG LEU A 14 0.094 17.430 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.102 18.082 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.405 16.382 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.278 16.778 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.044 19.146 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.953 17.881 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.315 18.231 0.143 1.00 0.00 H new ATOM 205 N LEU A 15 -1.831 15.482 -0.790 1.00 0.00 N ATOM 206 CA LEU A 15 -3.261 15.267 -0.561 1.00 0.00 C ATOM 207 C LEU A 15 -3.750 14.076 -1.379 1.00 0.00 C ATOM 208 O LEU A 15 -4.482 13.220 -0.877 1.00 0.00 O ATOM 209 CB LEU A 15 -4.077 16.534 -0.873 1.00 0.00 C ATOM 210 CG LEU A 15 -4.159 16.938 -2.349 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.296 16.210 -3.045 1.00 0.00 C ATOM 212 CD2 LEU A 15 -4.344 18.443 -2.477 1.00 0.00 C ATOM 0 H LEU A 15 -1.597 16.379 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.410 15.044 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.091 16.389 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.647 17.365 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.223 16.656 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.335 16.512 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.131 15.134 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.239 16.460 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.400 18.714 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.265 18.740 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.499 18.954 -2.016 1.00 0.00 H new ATOM 224 N ARG A 16 -3.298 14.003 -2.630 1.00 0.00 N ATOM 225 CA ARG A 16 -3.645 12.892 -3.510 1.00 0.00 C ATOM 226 C ARG A 16 -3.194 11.584 -2.866 1.00 0.00 C ATOM 227 O ARG A 16 -3.962 10.632 -2.752 1.00 0.00 O ATOM 228 CB ARG A 16 -2.977 13.072 -4.879 1.00 0.00 C ATOM 229 CG ARG A 16 -2.663 11.765 -5.587 1.00 0.00 C ATOM 230 CD ARG A 16 -2.619 11.936 -7.098 1.00 0.00 C ATOM 231 NE ARG A 16 -1.304 12.390 -7.566 1.00 0.00 N ATOM 232 CZ ARG A 16 -0.944 12.440 -8.844 1.00 0.00 C ATOM 233 NH1 ARG A 16 -1.788 12.069 -9.789 1.00 0.00 N ATOM 234 NH2 ARG A 16 0.261 12.864 -9.176 1.00 0.00 N ATOM 0 H ARG A 16 -2.690 14.702 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.725 12.868 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.629 13.671 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.053 13.635 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.704 11.383 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.416 11.021 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.866 10.988 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.379 12.655 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.624 12.686 -6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.721 11.742 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.507 12.109 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.917 13.154 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.536 12.902 -10.158 1.00 0.00 H new ATOM 248 N THR A 17 -1.939 11.567 -2.431 1.00 0.00 N ATOM 249 CA THR A 17 -1.353 10.399 -1.775 1.00 0.00 C ATOM 250 C THR A 17 -2.097 10.061 -0.482 1.00 0.00 C ATOM 251 O THR A 17 -2.373 8.895 -0.210 1.00 0.00 O ATOM 252 CB THR A 17 0.132 10.646 -1.474 1.00 0.00 C ATOM 253 OG1 THR A 17 0.803 11.177 -2.608 1.00 0.00 O ATOM 254 CG2 THR A 17 0.875 9.395 -1.061 1.00 0.00 C ATOM 0 H THR A 17 -1.300 12.357 -2.521 1.00 0.00 H new ATOM 0 HA THR A 17 -1.445 9.552 -2.455 1.00 0.00 H new ATOM 0 HB THR A 17 0.136 11.353 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.737 12.155 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.918 9.640 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.422 8.984 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.821 8.658 -1.863 1.00 0.00 H new ATOM 262 N LEU A 18 -2.423 11.084 0.313 1.00 0.00 N ATOM 263 CA LEU A 18 -3.138 10.871 1.571 1.00 0.00 C ATOM 264 C LEU A 18 -4.544 10.315 1.326 1.00 0.00 C ATOM 265 O LEU A 18 -5.004 9.432 2.053 1.00 0.00 O ATOM 266 CB LEU A 18 -3.188 12.173 2.392 1.00 0.00 C ATOM 267 CG LEU A 18 -4.473 13.001 2.277 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.562 12.433 3.174 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.202 14.453 2.637 1.00 0.00 C ATOM 0 H LEU A 18 -2.205 12.059 0.109 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.591 10.126 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.036 11.921 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.349 12.800 2.090 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.817 12.953 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.465 13.036 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.778 11.406 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.225 12.449 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.124 15.028 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.833 14.511 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.454 14.863 1.958 1.00 0.00 H new ATOM 281 N LEU A 19 -5.224 10.824 0.300 1.00 0.00 N ATOM 282 CA LEU A 19 -6.575 10.358 -0.022 1.00 0.00 C ATOM 283 C LEU A 19 -6.555 9.052 -0.820 1.00 0.00 C ATOM 284 O LEU A 19 -7.448 8.215 -0.674 1.00 0.00 O ATOM 285 CB LEU A 19 -7.355 11.444 -0.779 1.00 0.00 C ATOM 286 CG LEU A 19 -6.918 11.689 -2.226 1.00 0.00 C ATOM 287 CD1 LEU A 19 -7.628 10.737 -3.174 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.189 13.130 -2.623 1.00 0.00 C ATOM 0 H LEU A 19 -4.867 11.552 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.083 10.154 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.411 11.174 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.265 12.380 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.846 11.502 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.301 10.930 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.388 9.709 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.705 10.888 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.873 13.289 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.255 13.338 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.633 13.799 -1.966 1.00 0.00 H new ATOM 315 N LEU A 21 -4.171 6.823 -0.575 1.00 0.00 N ATOM 316 CA LEU A 21 -3.434 5.822 0.198 1.00 0.00 C ATOM 317 C LEU A 21 -4.310 4.595 0.450 1.00 0.00 C ATOM 318 O LEU A 21 -3.853 3.458 0.311 1.00 0.00 O ATOM 319 CB LEU A 21 -2.911 6.415 1.521 1.00 0.00 C ATOM 320 CG LEU A 21 -3.901 6.448 2.692 1.00 0.00 C ATOM 321 CD1 LEU A 21 -4.003 5.082 3.352 1.00 0.00 C ATOM 322 CD2 LEU A 21 -3.477 7.490 3.714 1.00 0.00 C ATOM 0 HA LEU A 21 -2.567 5.509 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.036 5.843 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.574 7.434 1.329 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.882 6.716 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.711 5.130 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.348 4.350 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.024 4.786 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.189 7.502 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.485 7.244 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.452 8.473 3.243 1.00 0.00 H new ATOM 334 N ALA A 22 -5.581 4.832 0.790 1.00 0.00 N ATOM 335 CA ALA A 22 -6.530 3.747 1.032 1.00 0.00 C ATOM 336 C ALA A 22 -6.696 2.897 -0.223 1.00 0.00 C ATOM 337 O ALA A 22 -6.644 1.666 -0.168 1.00 0.00 O ATOM 338 CB ALA A 22 -7.872 4.309 1.488 1.00 0.00 C ATOM 0 H ALA A 22 -5.974 5.766 0.903 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.139 3.110 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.569 3.489 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.735 4.874 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.273 4.966 0.716 1.00 0.00 H new ATOM 344 N ARG A 23 -6.866 3.570 -1.356 1.00 0.00 N ATOM 345 CA ARG A 23 -7.011 2.898 -2.645 1.00 0.00 C ATOM 346 C ARG A 23 -5.753 2.094 -2.956 1.00 0.00 C ATOM 347 O ARG A 23 -5.825 0.904 -3.257 1.00 0.00 O ATOM 348 CB ARG A 23 -7.268 3.921 -3.755 1.00 0.00 C ATOM 349 CG ARG A 23 -8.445 4.841 -3.474 1.00 0.00 C ATOM 350 CD ARG A 23 -9.492 4.751 -4.568 1.00 0.00 C ATOM 351 NE ARG A 23 -10.692 5.517 -4.232 1.00 0.00 N ATOM 352 CZ ARG A 23 -10.846 6.817 -4.471 1.00 0.00 C ATOM 353 NH1 ARG A 23 -9.875 7.526 -5.014 1.00 0.00 N ATOM 354 NH2 ARG A 23 -11.979 7.410 -4.150 1.00 0.00 N ATOM 0 H ARG A 23 -6.907 4.588 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.863 2.221 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.371 4.525 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.447 3.392 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.894 4.578 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.093 5.869 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.074 5.122 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.760 3.707 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.463 5.021 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.991 7.079 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.008 8.522 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.732 6.873 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.102 8.406 -4.331 1.00 0.00 H new ATOM 368 N THR A 24 -4.596 2.754 -2.857 1.00 0.00 N ATOM 369 CA THR A 24 -3.314 2.095 -3.105 1.00 0.00 C ATOM 370 C THR A 24 -3.134 0.922 -2.145 1.00 0.00 C ATOM 371 O THR A 24 -2.744 -0.172 -2.559 1.00 0.00 O ATOM 372 CB THR A 24 -2.158 3.097 -2.977 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.784 3.578 -4.254 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.912 2.532 -2.330 1.00 0.00 C ATOM 0 H THR A 24 -4.522 3.740 -2.608 1.00 0.00 H new ATOM 0 HA THR A 24 -3.308 1.708 -4.124 1.00 0.00 H new ATOM 0 HB THR A 24 -2.544 3.888 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.047 4.217 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.146 3.306 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.149 2.189 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.543 1.694 -2.921 1.00 0.00 H new ATOM 382 N GLN A 25 -3.454 1.140 -0.866 1.00 0.00 N ATOM 383 CA GLN A 25 -3.356 0.077 0.123 1.00 0.00 C ATOM 384 C GLN A 25 -4.340 -1.026 -0.231 1.00 0.00 C ATOM 385 O GLN A 25 -3.977 -2.199 -0.289 1.00 0.00 O ATOM 386 CB GLN A 25 -3.617 0.608 1.536 1.00 0.00 C ATOM 387 CG GLN A 25 -2.577 0.157 2.553 1.00 0.00 C ATOM 388 CD GLN A 25 -1.162 0.549 2.160 1.00 0.00 C ATOM 389 OE1 GLN A 25 -0.564 -0.047 1.261 1.00 0.00 O ATOM 390 NE2 GLN A 25 -0.616 1.553 2.831 1.00 0.00 N ATOM 0 H GLN A 25 -3.779 2.035 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.343 -0.325 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.639 1.697 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.603 0.278 1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.813 0.591 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.631 -0.926 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.144 2.021 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.332 1.858 2.610 1.00 0.00 H new ATOM 399 N SER A 26 -5.581 -0.638 -0.520 1.00 0.00 N ATOM 400 CA SER A 26 -6.603 -1.597 -0.925 1.00 0.00 C ATOM 401 C SER A 26 -6.130 -2.348 -2.163 1.00 0.00 C ATOM 402 O SER A 26 -6.279 -3.561 -2.254 1.00 0.00 O ATOM 403 CB SER A 26 -7.927 -0.897 -1.217 1.00 0.00 C ATOM 404 OG SER A 26 -9.010 -1.815 -1.168 1.00 0.00 O ATOM 0 H SER A 26 -5.901 0.330 -0.481 1.00 0.00 H new ATOM 0 HA SER A 26 -6.764 -2.299 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.089 -0.100 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.886 -0.430 -2.201 1.00 0.00 H new ATOM 0 HG SER A 26 -9.848 -1.343 -1.357 1.00 0.00 H new ATOM 410 N GLN A 27 -5.536 -1.612 -3.110 1.00 0.00 N ATOM 411 CA GLN A 27 -5.015 -2.203 -4.343 1.00 0.00 C ATOM 412 C GLN A 27 -4.179 -3.450 -4.052 1.00 0.00 C ATOM 413 O GLN A 27 -4.323 -4.471 -4.725 1.00 0.00 O ATOM 414 CB GLN A 27 -4.189 -1.178 -5.127 1.00 0.00 C ATOM 415 CG GLN A 27 -3.943 -1.581 -6.576 1.00 0.00 C ATOM 416 CD GLN A 27 -5.203 -2.064 -7.270 1.00 0.00 C ATOM 417 OE1 GLN A 27 -5.437 -3.265 -7.402 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.032 -1.130 -7.711 1.00 0.00 N ATOM 0 H GLN A 27 -5.405 -0.603 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.868 -2.504 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.702 -0.217 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.230 -1.038 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.536 -0.730 -7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.191 -2.369 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.804 -0.144 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.899 -1.397 -8.178 1.00 0.00 H new ATOM 427 N ARG A 28 -3.330 -3.374 -3.029 1.00 0.00 N ATOM 428 CA ARG A 28 -2.508 -4.519 -2.637 1.00 0.00 C ATOM 429 C ARG A 28 -3.298 -5.427 -1.694 1.00 0.00 C ATOM 430 O ARG A 28 -3.280 -6.652 -1.831 1.00 0.00 O ATOM 431 CB ARG A 28 -1.186 -4.083 -1.989 1.00 0.00 C ATOM 432 CG ARG A 28 -1.341 -3.044 -0.893 1.00 0.00 C ATOM 433 CD ARG A 28 -0.116 -2.985 0.008 1.00 0.00 C ATOM 434 NE ARG A 28 1.122 -2.787 -0.754 1.00 0.00 N ATOM 435 CZ ARG A 28 1.757 -1.625 -0.879 1.00 0.00 C ATOM 436 NH1 ARG A 28 1.295 -0.526 -0.306 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.870 -1.564 -1.583 1.00 0.00 N ATOM 0 H ARG A 28 -3.193 -2.539 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.253 -5.073 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.691 -4.961 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.530 -3.683 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.510 -2.065 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.222 -3.276 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.233 -2.173 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.044 -3.909 0.582 1.00 0.00 H new ATOM 0 HE ARG A 28 1.525 -3.599 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.437 -0.560 0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.797 0.355 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.239 -2.405 -2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.362 -0.676 -1.683 1.00 0.00 H new ATOM 451 N GLU A 29 -4.014 -4.807 -0.755 1.00 0.00 N ATOM 452 CA GLU A 29 -4.840 -5.531 0.201 1.00 0.00 C ATOM 453 C GLU A 29 -5.834 -6.438 -0.515 1.00 0.00 C ATOM 454 O GLU A 29 -5.925 -7.626 -0.217 1.00 0.00 O ATOM 455 CB GLU A 29 -5.582 -4.535 1.093 1.00 0.00 C ATOM 456 CG GLU A 29 -5.502 -4.871 2.568 1.00 0.00 C ATOM 457 CD GLU A 29 -6.823 -4.676 3.282 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.153 -3.516 3.603 1.00 0.00 O ATOM 459 OE2 GLU A 29 -7.526 -5.681 3.518 1.00 0.00 O ATOM 0 H GLU A 29 -4.035 -3.794 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.194 -6.158 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.171 -3.538 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.629 -4.500 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.180 -5.906 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.743 -4.246 3.039 1.00 0.00 H new ATOM 466 N ARG A 30 -6.560 -5.869 -1.473 1.00 0.00 N ATOM 467 CA ARG A 30 -7.541 -6.613 -2.261 1.00 0.00 C ATOM 468 C ARG A 30 -6.919 -7.857 -2.896 1.00 0.00 C ATOM 469 O ARG A 30 -7.580 -8.888 -3.028 1.00 0.00 O ATOM 470 CB ARG A 30 -8.141 -5.707 -3.340 1.00 0.00 C ATOM 471 CG ARG A 30 -7.156 -5.350 -4.438 1.00 0.00 C ATOM 472 CD ARG A 30 -7.663 -4.205 -5.298 1.00 0.00 C ATOM 473 NE ARG A 30 -8.716 -4.649 -6.213 1.00 0.00 N ATOM 474 CZ ARG A 30 -8.559 -4.835 -7.522 1.00 0.00 C ATOM 475 NH1 ARG A 30 -7.414 -4.561 -8.122 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.569 -5.289 -8.239 1.00 0.00 N ATOM 0 H ARG A 30 -6.486 -4.883 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.334 -6.944 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.004 -6.203 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.504 -4.791 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.199 -5.075 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.977 -6.224 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.046 -3.410 -4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.836 -3.784 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.639 -4.829 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.628 -4.199 -7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.316 -4.711 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.461 -5.495 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.457 -5.434 -9.242 1.00 0.00 H new ATOM 490 N ALA A 31 -5.643 -7.759 -3.275 1.00 0.00 N ATOM 491 CA ALA A 31 -4.931 -8.880 -3.880 1.00 0.00 C ATOM 492 C ALA A 31 -4.553 -9.912 -2.820 1.00 0.00 C ATOM 493 O ALA A 31 -4.666 -11.119 -3.044 1.00 0.00 O ATOM 494 CB ALA A 31 -3.694 -8.385 -4.618 1.00 0.00 C ATOM 0 H ALA A 31 -5.083 -6.912 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.591 -9.362 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.173 -9.232 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.992 -7.689 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.030 -7.879 -3.917 1.00 0.00 H new ATOM 500 N GLU A 32 -4.125 -9.422 -1.659 1.00 0.00 N ATOM 501 CA GLU A 32 -3.751 -10.293 -0.544 1.00 0.00 C ATOM 502 C GLU A 32 -4.997 -10.870 0.108 1.00 0.00 C ATOM 503 O GLU A 32 -5.162 -12.087 0.183 1.00 0.00 O ATOM 504 CB GLU A 32 -2.934 -9.514 0.498 1.00 0.00 C ATOM 505 CG GLU A 32 -1.549 -10.090 0.799 1.00 0.00 C ATOM 506 CD GLU A 32 -1.344 -11.502 0.293 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.774 -12.451 0.980 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.749 -11.658 -0.794 1.00 0.00 O ATOM 0 H GLU A 32 -4.028 -8.425 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.139 -11.107 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.816 -8.487 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.503 -9.473 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.793 -9.443 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.387 -10.075 1.877 1.00 0.00 H new ATOM 515 N GLN A 33 -5.889 -9.986 0.551 1.00 0.00 N ATOM 516 CA GLN A 33 -7.138 -10.404 1.173 1.00 0.00 C ATOM 517 C GLN A 33 -7.836 -11.449 0.306 1.00 0.00 C ATOM 518 O GLN A 33 -8.450 -12.386 0.820 1.00 0.00 O ATOM 519 CB GLN A 33 -8.048 -9.193 1.391 1.00 0.00 C ATOM 520 CG GLN A 33 -8.017 -8.658 2.815 1.00 0.00 C ATOM 521 CD GLN A 33 -8.799 -9.523 3.784 1.00 0.00 C ATOM 522 OE1 GLN A 33 -8.364 -10.611 4.154 1.00 0.00 O ATOM 523 NE2 GLN A 33 -9.960 -9.044 4.200 1.00 0.00 N ATOM 0 H GLN A 33 -5.767 -8.975 0.489 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.917 -10.852 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.752 -8.398 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.072 -9.468 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.982 -8.589 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.424 -7.647 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.285 -8.136 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.530 -9.583 4.852 1.00 0.00 H new ATOM 532 N ASN A 34 -7.707 -11.295 -1.017 1.00 0.00 N ATOM 533 CA ASN A 34 -8.293 -12.230 -1.958 1.00 0.00 C ATOM 534 C ASN A 34 -7.786 -13.641 -1.687 1.00 0.00 C ATOM 535 O ASN A 34 -8.577 -14.579 -1.613 1.00 0.00 O ATOM 536 CB ASN A 34 -7.963 -11.807 -3.387 1.00 0.00 C ATOM 537 CG ASN A 34 -9.196 -11.418 -4.177 1.00 0.00 C ATOM 538 OD1 ASN A 34 -9.911 -12.271 -4.698 1.00 0.00 O ATOM 539 ND2 ASN A 34 -9.454 -10.123 -4.268 1.00 0.00 N ATOM 0 H ASN A 34 -7.198 -10.525 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.376 -12.225 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.271 -10.965 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.453 -12.625 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.272 -9.801 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.835 -9.447 -3.821 1.00 0.00 H new ATOM 546 N ARG A 35 -6.467 -13.790 -1.506 1.00 0.00 N ATOM 547 CA ARG A 35 -5.902 -15.103 -1.209 1.00 0.00 C ATOM 548 C ARG A 35 -6.020 -15.412 0.281 1.00 0.00 C ATOM 549 O ARG A 35 -6.210 -16.564 0.669 1.00 0.00 O ATOM 550 CB ARG A 35 -4.448 -15.219 -1.679 1.00 0.00 C ATOM 551 CG ARG A 35 -3.529 -14.136 -1.149 1.00 0.00 C ATOM 552 CD ARG A 35 -2.070 -14.473 -1.414 1.00 0.00 C ATOM 553 NE ARG A 35 -1.799 -14.626 -2.849 1.00 0.00 N ATOM 554 CZ ARG A 35 -1.304 -13.674 -3.635 1.00 0.00 C ATOM 555 NH1 ARG A 35 -0.933 -12.503 -3.151 1.00 0.00 N ATOM 556 NH2 ARG A 35 -1.161 -13.912 -4.924 1.00 0.00 N ATOM 0 H ARG A 35 -5.787 -13.032 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.479 -15.843 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.057 -16.190 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.428 -15.194 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.776 -13.184 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.688 -14.013 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.435 -13.687 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.809 -15.395 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.006 -15.530 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.023 -12.312 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.556 -11.789 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.429 -14.818 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.783 -13.190 -5.537 1.00 0.00 H new ATOM 570 N ILE A 36 -5.941 -14.371 1.109 1.00 0.00 N ATOM 571 CA ILE A 36 -6.068 -14.533 2.559 1.00 0.00 C ATOM 572 C ILE A 36 -7.399 -15.197 2.898 1.00 0.00 C ATOM 573 O ILE A 36 -7.442 -16.209 3.598 1.00 0.00 O ATOM 574 CB ILE A 36 -5.959 -13.181 3.305 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.567 -12.567 3.109 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.258 -13.359 4.789 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.466 -13.296 3.848 1.00 0.00 C ATOM 0 H ILE A 36 -5.790 -13.410 0.803 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.244 -15.165 2.889 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.699 -12.500 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.332 -12.557 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.588 -11.529 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.176 -12.397 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.268 -13.749 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.544 -14.059 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.513 -12.802 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.676 -13.284 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.415 -14.328 3.500 1.00 0.00 H new ATOM 589 N ILE A 37 -8.478 -14.635 2.367 1.00 0.00 N ATOM 590 CA ILE A 37 -9.817 -15.179 2.583 1.00 0.00 C ATOM 591 C ILE A 37 -9.972 -16.515 1.854 1.00 0.00 C ATOM 592 O ILE A 37 -10.532 -17.469 2.400 1.00 0.00 O ATOM 593 CB ILE A 37 -10.913 -14.200 2.105 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.825 -12.881 2.879 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.296 -14.818 2.265 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.121 -13.022 4.358 1.00 0.00 C ATOM 0 H ILE A 37 -8.454 -13.800 1.782 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.938 -15.331 3.655 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.750 -13.995 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.826 -12.464 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.525 -12.167 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.052 -14.112 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.357 -15.731 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.470 -15.055 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.039 -12.048 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.131 -13.410 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.406 -13.710 4.808 1.00 0.00 H new ATOM 608 N PHE A 38 -9.453 -16.581 0.623 1.00 0.00 N ATOM 609 CA PHE A 38 -9.515 -17.804 -0.180 1.00 0.00 C ATOM 610 C PHE A 38 -8.936 -18.995 0.582 1.00 0.00 C ATOM 611 O PHE A 38 -9.423 -20.118 0.455 1.00 0.00 O ATOM 612 CB PHE A 38 -8.760 -17.617 -1.501 1.00 0.00 C ATOM 613 CG PHE A 38 -9.618 -17.809 -2.718 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.050 -19.074 -3.082 1.00 0.00 C ATOM 615 CD2 PHE A 38 -9.991 -16.727 -3.498 1.00 0.00 C ATOM 616 CE1 PHE A 38 -10.839 -19.256 -4.202 1.00 0.00 C ATOM 617 CE2 PHE A 38 -10.781 -16.902 -4.619 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.205 -18.169 -4.972 1.00 0.00 C ATOM 0 H PHE A 38 -8.985 -15.800 0.162 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.564 -18.008 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.330 -16.616 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.929 -18.322 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.767 -19.928 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.661 -15.735 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.169 -20.247 -4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.066 -16.050 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.821 -18.309 -5.848 1.00 0.00 H new