USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=8 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 -76:sc= 1.19 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 132:sc= 0.934 USER MOD Single : A 13 HIS : no HE2:sc= -0.0493 K(o=-0.049,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 26 SER OG : rot 161:sc= 0.299 USER MOD Single : A 27 GLN : amide:sc= -0.645 K(o=-0.64,f=-5.6!) USER MOD Single : A 33 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.3) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 -3.173 29.166 -6.319 1.00 0.00 N ATOM 44 CA SER A 5 -2.593 27.820 -6.385 1.00 0.00 C ATOM 45 C SER A 5 -1.340 27.709 -5.521 1.00 0.00 C ATOM 46 O SER A 5 -0.312 27.190 -5.951 1.00 0.00 O ATOM 47 CB SER A 5 -2.275 27.434 -7.834 1.00 0.00 C ATOM 48 OG SER A 5 -2.465 26.042 -8.042 1.00 0.00 O ATOM 0 HA SER A 5 -3.335 27.125 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.915 27.998 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.245 27.703 -8.069 1.00 0.00 H new ATOM 0 HG SER A 5 -1.717 25.547 -7.646 1.00 0.00 H new ATOM 54 N LEU A 6 -1.446 28.180 -4.285 1.00 0.00 N ATOM 55 CA LEU A 6 -0.338 28.106 -3.337 1.00 0.00 C ATOM 56 C LEU A 6 -0.641 27.030 -2.306 1.00 0.00 C ATOM 57 O LEU A 6 0.114 26.071 -2.143 1.00 0.00 O ATOM 58 CB LEU A 6 -0.107 29.458 -2.649 1.00 0.00 C ATOM 59 CG LEU A 6 -0.160 30.684 -3.565 1.00 0.00 C ATOM 60 CD1 LEU A 6 0.026 31.957 -2.757 1.00 0.00 C ATOM 61 CD2 LEU A 6 0.900 30.587 -4.651 1.00 0.00 C ATOM 0 H LEU A 6 -2.289 28.618 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 6 0.575 27.853 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.855 29.579 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.866 29.435 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.140 30.714 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.014 32.819 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.767 32.035 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.993 31.931 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.846 31.467 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.887 30.532 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.727 29.692 -5.249 1.00 0.00 H new ATOM 73 N SER A 7 -1.775 27.186 -1.637 1.00 0.00 N ATOM 74 CA SER A 7 -2.223 26.226 -0.633 1.00 0.00 C ATOM 75 C SER A 7 -2.906 25.023 -1.288 1.00 0.00 C ATOM 76 O SER A 7 -3.021 23.963 -0.669 1.00 0.00 O ATOM 77 CB SER A 7 -3.181 26.894 0.359 1.00 0.00 C ATOM 78 OG SER A 7 -2.798 28.237 0.620 1.00 0.00 O ATOM 0 H SER A 7 -2.407 27.975 -1.772 1.00 0.00 H new ATOM 0 HA SER A 7 -1.344 25.872 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.195 26.874 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.195 26.329 1.291 1.00 0.00 H new ATOM 0 HG SER A 7 -3.427 28.639 1.254 1.00 0.00 H new ATOM 84 N ILE A 8 -3.347 25.179 -2.543 1.00 0.00 N ATOM 85 CA ILE A 8 -4.006 24.085 -3.261 1.00 0.00 C ATOM 86 C ILE A 8 -3.041 23.370 -4.211 1.00 0.00 C ATOM 87 O ILE A 8 -3.427 22.437 -4.911 1.00 0.00 O ATOM 88 CB ILE A 8 -5.237 24.579 -4.060 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.955 25.712 -3.316 1.00 0.00 C ATOM 90 CG2 ILE A 8 -6.198 23.426 -4.317 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.979 26.438 -4.163 1.00 0.00 C ATOM 0 H ILE A 8 -3.260 26.044 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.341 23.380 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.887 24.967 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.449 25.302 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.215 26.429 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.059 23.788 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.690 22.650 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.534 23.013 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.447 27.226 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.487 26.878 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.741 25.733 -4.497 1.00 0.00 H new ATOM 103 N ASP A 9 -1.780 23.795 -4.214 1.00 0.00 N ATOM 104 CA ASP A 9 -0.767 23.175 -5.058 1.00 0.00 C ATOM 105 C ASP A 9 0.014 22.137 -4.261 1.00 0.00 C ATOM 106 O ASP A 9 0.150 20.989 -4.679 1.00 0.00 O ATOM 107 CB ASP A 9 0.173 24.242 -5.626 1.00 0.00 C ATOM 108 CG ASP A 9 0.387 24.087 -7.116 1.00 0.00 C ATOM 109 OD1 ASP A 9 1.228 23.254 -7.512 1.00 0.00 O ATOM 110 OD2 ASP A 9 -0.294 24.797 -7.889 1.00 0.00 O ATOM 0 H ASP A 9 -1.437 24.566 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.258 22.672 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.238 25.231 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.134 24.185 -5.116 1.00 0.00 H new ATOM 115 N LEU A 10 0.506 22.551 -3.100 1.00 0.00 N ATOM 116 CA LEU A 10 1.267 21.665 -2.221 1.00 0.00 C ATOM 117 C LEU A 10 0.354 20.645 -1.525 1.00 0.00 C ATOM 118 O LEU A 10 0.600 19.437 -1.590 1.00 0.00 O ATOM 119 CB LEU A 10 2.053 22.485 -1.185 1.00 0.00 C ATOM 120 CG LEU A 10 1.224 23.434 -0.312 1.00 0.00 C ATOM 121 CD1 LEU A 10 0.968 22.821 1.055 1.00 0.00 C ATOM 122 CD2 LEU A 10 1.933 24.771 -0.165 1.00 0.00 C ATOM 0 H LEU A 10 0.392 23.499 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 10 1.974 21.109 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.586 21.794 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.807 23.071 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 10 0.264 23.598 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.378 23.511 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.423 21.884 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.919 22.627 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.333 25.435 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.906 24.617 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.069 25.221 -1.149 1.00 0.00 H new ATOM 134 N THR A 11 -0.697 21.136 -0.861 1.00 0.00 N ATOM 135 CA THR A 11 -1.640 20.266 -0.151 1.00 0.00 C ATOM 136 C THR A 11 -2.250 19.227 -1.080 1.00 0.00 C ATOM 137 O THR A 11 -2.173 18.028 -0.807 1.00 0.00 O ATOM 138 CB THR A 11 -2.749 21.091 0.512 1.00 0.00 C ATOM 139 OG1 THR A 11 -2.262 22.355 0.926 1.00 0.00 O ATOM 140 CG2 THR A 11 -3.349 20.422 1.726 1.00 0.00 C ATOM 0 H THR A 11 -0.916 22.130 -0.800 1.00 0.00 H new ATOM 0 HA THR A 11 -1.078 19.742 0.622 1.00 0.00 H new ATOM 0 HB THR A 11 -3.520 21.193 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.875 23.057 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.127 21.060 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.782 19.464 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.572 20.258 2.473 1.00 0.00 H new ATOM 148 N PHE A 12 -2.846 19.680 -2.183 1.00 0.00 N ATOM 149 CA PHE A 12 -3.450 18.770 -3.146 1.00 0.00 C ATOM 150 C PHE A 12 -2.418 17.775 -3.692 1.00 0.00 C ATOM 151 O PHE A 12 -2.757 16.635 -4.016 1.00 0.00 O ATOM 152 CB PHE A 12 -4.082 19.574 -4.278 1.00 0.00 C ATOM 153 CG PHE A 12 -5.576 19.443 -4.344 1.00 0.00 C ATOM 154 CD1 PHE A 12 -6.379 20.113 -3.436 1.00 0.00 C ATOM 155 CD2 PHE A 12 -6.179 18.653 -5.310 1.00 0.00 C ATOM 156 CE1 PHE A 12 -7.754 20.000 -3.488 1.00 0.00 C ATOM 157 CE2 PHE A 12 -7.555 18.535 -5.368 1.00 0.00 C ATOM 158 CZ PHE A 12 -8.344 19.209 -4.455 1.00 0.00 C ATOM 0 H PHE A 12 -2.921 20.667 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.225 18.191 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.823 20.625 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.654 19.249 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.924 20.732 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.567 18.124 -6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.368 20.529 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.013 17.917 -6.126 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.419 19.118 -4.497 1.00 0.00 H new ATOM 168 N HIS A 13 -1.156 18.207 -3.773 1.00 0.00 N ATOM 169 CA HIS A 13 -0.077 17.346 -4.260 1.00 0.00 C ATOM 170 C HIS A 13 0.365 16.360 -3.183 1.00 0.00 C ATOM 171 O HIS A 13 0.522 15.169 -3.457 1.00 0.00 O ATOM 172 CB HIS A 13 1.120 18.184 -4.719 1.00 0.00 C ATOM 173 CG HIS A 13 2.062 17.450 -5.626 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.330 16.101 -5.505 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.804 17.884 -6.671 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.196 15.740 -6.436 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.500 16.804 -7.156 1.00 0.00 N ATOM 0 H HIS A 13 -0.858 19.146 -3.508 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.462 16.783 -5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.754 19.072 -5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.669 18.527 -3.842 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.923 15.480 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.842 18.893 -7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.588 14.744 -6.583 1.00 0.00 H new ATOM 186 N LEU A 14 0.573 16.858 -1.964 1.00 0.00 N ATOM 187 CA LEU A 14 1.002 16.004 -0.855 1.00 0.00 C ATOM 188 C LEU A 14 -0.119 15.058 -0.419 1.00 0.00 C ATOM 189 O LEU A 14 0.129 13.878 -0.158 1.00 0.00 O ATOM 190 CB LEU A 14 1.495 16.847 0.329 1.00 0.00 C ATOM 191 CG LEU A 14 0.438 17.718 1.005 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.247 16.962 2.130 1.00 0.00 C ATOM 193 CD2 LEU A 14 1.065 18.999 1.531 1.00 0.00 C ATOM 0 H LEU A 14 0.453 17.841 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 14 1.835 15.396 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.920 16.177 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.303 17.491 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.316 17.978 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.995 17.603 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.731 16.072 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.493 16.668 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.299 19.609 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.840 18.753 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.506 19.555 0.704 1.00 0.00 H new ATOM 205 N LEU A 15 -1.353 15.568 -0.352 1.00 0.00 N ATOM 206 CA LEU A 15 -2.495 14.740 0.044 1.00 0.00 C ATOM 207 C LEU A 15 -2.731 13.606 -0.955 1.00 0.00 C ATOM 208 O LEU A 15 -3.173 12.522 -0.574 1.00 0.00 O ATOM 209 CB LEU A 15 -3.762 15.595 0.213 1.00 0.00 C ATOM 210 CG LEU A 15 -4.533 15.912 -1.074 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.404 14.735 -1.487 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.387 17.154 -0.884 1.00 0.00 C ATOM 0 H LEU A 15 -1.585 16.538 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.259 14.290 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.435 15.081 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.481 16.536 0.687 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.809 16.098 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.941 14.983 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.776 13.861 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.120 14.516 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.929 17.367 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.098 16.986 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.747 18.001 -0.635 1.00 0.00 H new ATOM 224 N ARG A 16 -2.413 13.850 -2.227 1.00 0.00 N ATOM 225 CA ARG A 16 -2.572 12.834 -3.267 1.00 0.00 C ATOM 226 C ARG A 16 -1.958 11.510 -2.800 1.00 0.00 C ATOM 227 O ARG A 16 -2.623 10.473 -2.786 1.00 0.00 O ATOM 228 CB ARG A 16 -1.918 13.312 -4.579 1.00 0.00 C ATOM 229 CG ARG A 16 -1.111 12.241 -5.305 1.00 0.00 C ATOM 230 CD ARG A 16 -0.264 12.826 -6.426 1.00 0.00 C ATOM 231 NE ARG A 16 -1.068 13.288 -7.565 1.00 0.00 N ATOM 232 CZ ARG A 16 -1.456 12.516 -8.577 1.00 0.00 C ATOM 233 NH1 ARG A 16 -1.234 11.217 -8.559 1.00 0.00 N ATOM 234 NH2 ARG A 16 -2.094 13.051 -9.604 1.00 0.00 N ATOM 0 H ARG A 16 -2.045 14.741 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.634 12.674 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.697 13.678 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.264 14.156 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.465 11.729 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.789 11.493 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.320 13.660 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.446 12.073 -6.770 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.348 14.269 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.759 10.792 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.537 10.637 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.287 14.052 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.393 12.462 -10.382 1.00 0.00 H new ATOM 248 N THR A 17 -0.684 11.566 -2.412 1.00 0.00 N ATOM 249 CA THR A 17 0.048 10.388 -1.930 1.00 0.00 C ATOM 250 C THR A 17 -0.746 9.601 -0.881 1.00 0.00 C ATOM 251 O THR A 17 -0.829 8.373 -0.959 1.00 0.00 O ATOM 252 CB THR A 17 1.401 10.812 -1.349 1.00 0.00 C ATOM 253 OG1 THR A 17 2.213 11.388 -2.353 1.00 0.00 O ATOM 254 CG2 THR A 17 2.186 9.671 -0.739 1.00 0.00 C ATOM 0 H THR A 17 -0.130 12.423 -2.422 1.00 0.00 H new ATOM 0 HA THR A 17 0.203 9.730 -2.785 1.00 0.00 H new ATOM 0 HB THR A 17 1.160 11.527 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.073 11.655 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.132 10.048 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.610 9.226 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.383 8.916 -1.501 1.00 0.00 H new ATOM 262 N LEU A 18 -1.329 10.306 0.098 1.00 0.00 N ATOM 263 CA LEU A 18 -2.108 9.648 1.155 1.00 0.00 C ATOM 264 C LEU A 18 -3.209 8.755 0.568 1.00 0.00 C ATOM 265 O LEU A 18 -3.467 7.662 1.075 1.00 0.00 O ATOM 266 CB LEU A 18 -2.698 10.689 2.125 1.00 0.00 C ATOM 267 CG LEU A 18 -4.124 11.164 1.826 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.144 10.225 2.447 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.330 12.579 2.341 1.00 0.00 C ATOM 0 H LEU A 18 -1.277 11.321 0.180 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.431 9.004 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.681 10.268 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.042 11.559 2.133 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.266 11.161 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.150 10.581 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.013 9.223 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.002 10.196 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.348 12.902 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.167 12.601 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.623 13.250 1.853 1.00 0.00 H new ATOM 281 N LEU A 19 -3.839 9.215 -0.514 1.00 0.00 N ATOM 282 CA LEU A 19 -4.891 8.439 -1.170 1.00 0.00 C ATOM 283 C LEU A 19 -4.302 7.505 -2.230 1.00 0.00 C ATOM 284 O LEU A 19 -4.773 6.377 -2.408 1.00 0.00 O ATOM 285 CB LEU A 19 -5.955 9.366 -1.780 1.00 0.00 C ATOM 286 CG LEU A 19 -5.643 9.923 -3.173 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.235 9.032 -4.252 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.176 11.339 -3.307 1.00 0.00 C ATOM 0 H LEU A 19 -3.641 10.115 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.377 7.822 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.897 8.820 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.109 10.205 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.561 9.943 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.002 9.445 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.812 8.031 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.317 8.980 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.947 11.721 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.256 11.337 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.708 11.976 -2.557 1.00 0.00 H new ATOM 315 N LEU A 21 -1.464 5.980 -2.234 1.00 0.00 N ATOM 316 CA LEU A 21 -0.939 4.816 -1.524 1.00 0.00 C ATOM 317 C LEU A 21 -2.091 3.909 -1.096 1.00 0.00 C ATOM 318 O LEU A 21 -2.003 2.685 -1.211 1.00 0.00 O ATOM 319 CB LEU A 21 -0.093 5.245 -0.313 1.00 0.00 C ATOM 320 CG LEU A 21 -0.875 5.677 0.933 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.140 4.486 1.841 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.114 6.754 1.685 1.00 0.00 C ATOM 0 HA LEU A 21 -0.287 4.259 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.560 4.416 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.550 6.070 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.834 6.084 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.696 4.815 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.722 3.739 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.192 4.049 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.681 7.051 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.858 6.366 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.028 7.619 1.037 1.00 0.00 H new ATOM 334 N ALA A 22 -3.186 4.522 -0.634 1.00 0.00 N ATOM 335 CA ALA A 22 -4.372 3.779 -0.221 1.00 0.00 C ATOM 336 C ALA A 22 -4.936 2.985 -1.394 1.00 0.00 C ATOM 337 O ALA A 22 -5.308 1.817 -1.249 1.00 0.00 O ATOM 338 CB ALA A 22 -5.421 4.729 0.345 1.00 0.00 C ATOM 0 H ALA A 22 -3.271 5.534 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.090 3.076 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.300 4.161 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.010 5.252 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.704 5.455 -0.417 1.00 0.00 H new ATOM 344 N ARG A 23 -4.972 3.619 -2.562 1.00 0.00 N ATOM 345 CA ARG A 23 -5.462 2.967 -3.775 1.00 0.00 C ATOM 346 C ARG A 23 -4.578 1.771 -4.118 1.00 0.00 C ATOM 347 O ARG A 23 -5.072 0.651 -4.277 1.00 0.00 O ATOM 348 CB ARG A 23 -5.501 3.960 -4.945 1.00 0.00 C ATOM 349 CG ARG A 23 -6.469 5.117 -4.742 1.00 0.00 C ATOM 350 CD ARG A 23 -7.915 4.649 -4.735 1.00 0.00 C ATOM 351 NE ARG A 23 -8.341 4.222 -3.399 1.00 0.00 N ATOM 352 CZ ARG A 23 -8.811 5.035 -2.460 1.00 0.00 C ATOM 353 NH1 ARG A 23 -8.921 6.333 -2.682 1.00 0.00 N ATOM 354 NH2 ARG A 23 -9.157 4.541 -1.288 1.00 0.00 N ATOM 0 H ARG A 23 -4.668 4.583 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.477 2.614 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.500 4.361 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.776 3.425 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.245 5.618 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.329 5.852 -5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.560 5.456 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.033 3.823 -5.436 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.271 3.229 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.643 6.722 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.284 6.946 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.063 3.541 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.519 5.158 -0.561 1.00 0.00 H new ATOM 368 N THR A 24 -3.267 2.011 -4.201 1.00 0.00 N ATOM 369 CA THR A 24 -2.311 0.941 -4.492 1.00 0.00 C ATOM 370 C THR A 24 -2.417 -0.152 -3.428 1.00 0.00 C ATOM 371 O THR A 24 -2.450 -1.341 -3.749 1.00 0.00 O ATOM 372 CB THR A 24 -0.881 1.498 -4.572 1.00 0.00 C ATOM 373 OG1 THR A 24 -0.403 1.434 -5.902 1.00 0.00 O ATOM 374 CG2 THR A 24 0.124 0.773 -3.702 1.00 0.00 C ATOM 0 H THR A 24 -2.846 2.931 -4.072 1.00 0.00 H new ATOM 0 HA THR A 24 -2.551 0.505 -5.462 1.00 0.00 H new ATOM 0 HB THR A 24 -0.963 2.523 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.508 1.793 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.106 1.232 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.184 0.839 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.175 -0.274 -4.000 1.00 0.00 H new ATOM 382 N GLN A 25 -2.506 0.265 -2.159 1.00 0.00 N ATOM 383 CA GLN A 25 -2.650 -0.668 -1.057 1.00 0.00 C ATOM 384 C GLN A 25 -3.912 -1.493 -1.258 1.00 0.00 C ATOM 385 O GLN A 25 -3.875 -2.720 -1.228 1.00 0.00 O ATOM 386 CB GLN A 25 -2.699 0.093 0.266 1.00 0.00 C ATOM 387 CG GLN A 25 -1.561 -0.254 1.214 1.00 0.00 C ATOM 388 CD GLN A 25 -0.269 0.463 0.865 1.00 0.00 C ATOM 389 OE1 GLN A 25 0.371 0.048 -0.220 1.00 0.00 O flip ATOM 390 NE2 GLN A 25 0.150 1.380 1.563 1.00 0.00 N flip ATOM 0 H GLN A 25 -2.480 1.246 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.793 -1.341 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.675 1.163 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.648 -0.116 0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.851 0.003 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.391 -1.331 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.371 1.670 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.020 1.852 1.316 1.00 0.00 H new ATOM 399 N SER A 26 -5.020 -0.804 -1.512 1.00 0.00 N ATOM 400 CA SER A 26 -6.295 -1.467 -1.775 1.00 0.00 C ATOM 401 C SER A 26 -6.135 -2.459 -2.919 1.00 0.00 C ATOM 402 O SER A 26 -6.589 -3.604 -2.837 1.00 0.00 O ATOM 403 CB SER A 26 -7.358 -0.437 -2.145 1.00 0.00 C ATOM 404 OG SER A 26 -8.640 -1.046 -2.270 1.00 0.00 O ATOM 0 H SER A 26 -5.062 0.215 -1.542 1.00 0.00 H new ATOM 0 HA SER A 26 -6.606 -1.996 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.395 0.342 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.089 0.047 -3.084 1.00 0.00 H new ATOM 0 HG SER A 26 -9.336 -0.360 -2.203 1.00 0.00 H new ATOM 410 N GLN A 27 -5.480 -1.995 -3.986 1.00 0.00 N ATOM 411 CA GLN A 27 -5.234 -2.814 -5.172 1.00 0.00 C ATOM 412 C GLN A 27 -4.553 -4.138 -4.810 1.00 0.00 C ATOM 413 O GLN A 27 -4.905 -5.186 -5.348 1.00 0.00 O ATOM 414 CB GLN A 27 -4.398 -2.034 -6.192 1.00 0.00 C ATOM 415 CG GLN A 27 -4.600 -2.504 -7.627 1.00 0.00 C ATOM 416 CD GLN A 27 -5.956 -2.113 -8.191 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.927 -2.863 -8.088 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.033 -0.934 -8.790 1.00 0.00 N ATOM 0 H GLN A 27 -5.108 -1.047 -4.051 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.198 -3.055 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.651 -0.976 -6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.343 -2.126 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.815 -2.083 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.494 -3.588 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.206 -0.340 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.919 -0.620 -9.186 1.00 0.00 H new ATOM 427 N ARG A 28 -3.597 -4.094 -3.882 1.00 0.00 N ATOM 428 CA ARG A 28 -2.909 -5.314 -3.448 1.00 0.00 C ATOM 429 C ARG A 28 -3.707 -6.013 -2.343 1.00 0.00 C ATOM 430 O ARG A 28 -3.840 -7.239 -2.340 1.00 0.00 O ATOM 431 CB ARG A 28 -1.469 -5.035 -2.988 1.00 0.00 C ATOM 432 CG ARG A 28 -1.327 -3.863 -2.034 1.00 0.00 C ATOM 433 CD ARG A 28 0.014 -3.889 -1.308 1.00 0.00 C ATOM 434 NE ARG A 28 1.148 -3.685 -2.220 1.00 0.00 N ATOM 435 CZ ARG A 28 2.424 -3.769 -1.859 1.00 0.00 C ATOM 436 NH1 ARG A 28 2.753 -4.034 -0.609 1.00 0.00 N ATOM 437 NH2 ARG A 28 3.373 -3.586 -2.755 1.00 0.00 N ATOM 0 H ARG A 28 -3.283 -3.240 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.845 -5.977 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.076 -5.930 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.851 -4.849 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.424 -2.929 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.137 -3.887 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.024 -3.115 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.129 -4.845 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 28 0.942 -3.464 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.025 -4.177 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.736 -4.096 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.127 -3.380 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.353 -3.650 -2.480 1.00 0.00 H new ATOM 451 N GLU A 29 -4.257 -5.218 -1.422 1.00 0.00 N ATOM 452 CA GLU A 29 -5.063 -5.741 -0.324 1.00 0.00 C ATOM 453 C GLU A 29 -6.205 -6.601 -0.847 1.00 0.00 C ATOM 454 O GLU A 29 -6.374 -7.741 -0.426 1.00 0.00 O ATOM 455 CB GLU A 29 -5.620 -4.586 0.506 1.00 0.00 C ATOM 456 CG GLU A 29 -5.556 -4.824 2.005 1.00 0.00 C ATOM 457 CD GLU A 29 -6.860 -5.343 2.591 1.00 0.00 C ATOM 458 OE1 GLU A 29 -7.909 -5.247 1.914 1.00 0.00 O ATOM 459 OE2 GLU A 29 -6.831 -5.849 3.730 1.00 0.00 O ATOM 0 H GLU A 29 -4.156 -4.203 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.425 -6.364 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.066 -3.678 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.657 -4.411 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.761 -5.538 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.289 -3.892 2.502 1.00 0.00 H new ATOM 466 N ARG A 30 -6.979 -6.049 -1.778 1.00 0.00 N ATOM 467 CA ARG A 30 -8.106 -6.769 -2.374 1.00 0.00 C ATOM 468 C ARG A 30 -7.674 -8.131 -2.920 1.00 0.00 C ATOM 469 O ARG A 30 -8.414 -9.113 -2.817 1.00 0.00 O ATOM 470 CB ARG A 30 -8.739 -5.935 -3.486 1.00 0.00 C ATOM 471 CG ARG A 30 -7.809 -5.703 -4.660 1.00 0.00 C ATOM 472 CD ARG A 30 -8.298 -4.579 -5.558 1.00 0.00 C ATOM 473 NE ARG A 30 -8.515 -3.338 -4.807 1.00 0.00 N ATOM 474 CZ ARG A 30 -8.932 -2.202 -5.347 1.00 0.00 C ATOM 475 NH1 ARG A 30 -9.060 -2.092 -6.655 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.181 -1.160 -4.584 1.00 0.00 N ATOM 0 H ARG A 30 -6.848 -5.104 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.844 -6.939 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.641 -6.435 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.047 -4.972 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.811 -5.465 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.723 -6.621 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.569 -4.403 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.228 -4.878 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.333 -3.350 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.838 -2.884 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.382 -1.215 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.053 -1.225 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.502 -0.287 -5.002 1.00 0.00 H new ATOM 490 N ALA A 31 -6.466 -8.189 -3.482 1.00 0.00 N ATOM 491 CA ALA A 31 -5.931 -9.434 -4.023 1.00 0.00 C ATOM 492 C ALA A 31 -5.565 -10.381 -2.888 1.00 0.00 C ATOM 493 O ALA A 31 -5.855 -11.577 -2.941 1.00 0.00 O ATOM 494 CB ALA A 31 -4.724 -9.155 -4.909 1.00 0.00 C ATOM 0 H ALA A 31 -5.842 -7.388 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.696 -9.910 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.338 -10.095 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.021 -8.509 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.949 -8.662 -4.323 1.00 0.00 H new ATOM 500 N GLU A 32 -4.951 -9.823 -1.850 1.00 0.00 N ATOM 501 CA GLU A 32 -4.565 -10.599 -0.676 1.00 0.00 C ATOM 502 C GLU A 32 -5.798 -10.986 0.123 1.00 0.00 C ATOM 503 O GLU A 32 -6.018 -12.157 0.406 1.00 0.00 O ATOM 504 CB GLU A 32 -3.597 -9.807 0.204 1.00 0.00 C ATOM 505 CG GLU A 32 -2.241 -10.483 0.381 1.00 0.00 C ATOM 506 CD GLU A 32 -2.221 -11.470 1.534 1.00 0.00 C ATOM 507 OE1 GLU A 32 -2.724 -12.605 1.361 1.00 0.00 O ATOM 508 OE2 GLU A 32 -1.700 -11.111 2.608 1.00 0.00 O ATOM 0 H GLU A 32 -4.709 -8.833 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.060 -11.504 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.447 -8.819 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.050 -9.657 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.976 -11.002 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.480 -9.721 0.548 1.00 0.00 H new ATOM 515 N GLN A 33 -6.619 -9.997 0.463 1.00 0.00 N ATOM 516 CA GLN A 33 -7.848 -10.249 1.207 1.00 0.00 C ATOM 517 C GLN A 33 -8.628 -11.396 0.565 1.00 0.00 C ATOM 518 O GLN A 33 -9.113 -12.292 1.261 1.00 0.00 O ATOM 519 CB GLN A 33 -8.704 -8.980 1.264 1.00 0.00 C ATOM 520 CG GLN A 33 -8.648 -8.264 2.607 1.00 0.00 C ATOM 521 CD GLN A 33 -9.439 -8.973 3.688 1.00 0.00 C ATOM 522 OE1 GLN A 33 -10.642 -9.184 3.557 1.00 0.00 O ATOM 523 NE2 GLN A 33 -8.769 -9.348 4.769 1.00 0.00 N ATOM 0 H GLN A 33 -6.456 -9.016 0.236 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.589 -10.535 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.375 -8.295 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.739 -9.240 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.609 -8.176 2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.032 -7.251 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.770 -9.155 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.253 -9.829 5.527 1.00 0.00 H new ATOM 532 N ASN A 34 -8.713 -11.379 -0.771 1.00 0.00 N ATOM 533 CA ASN A 34 -9.401 -12.438 -1.507 1.00 0.00 C ATOM 534 C ASN A 34 -8.824 -13.805 -1.132 1.00 0.00 C ATOM 535 O ASN A 34 -9.571 -14.746 -0.854 1.00 0.00 O ATOM 536 CB ASN A 34 -9.286 -12.211 -3.020 1.00 0.00 C ATOM 537 CG ASN A 34 -10.623 -12.332 -3.727 1.00 0.00 C ATOM 538 OD1 ASN A 34 -10.993 -13.401 -4.205 1.00 0.00 O ATOM 539 ND2 ASN A 34 -11.355 -11.230 -3.798 1.00 0.00 N ATOM 0 H ASN A 34 -8.315 -10.646 -1.359 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.456 -12.414 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.868 -11.221 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.589 -12.935 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.263 -11.250 -4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.011 -10.362 -3.388 1.00 0.00 H new ATOM 546 N ARG A 35 -7.488 -13.909 -1.099 1.00 0.00 N ATOM 547 CA ARG A 35 -6.842 -15.166 -0.728 1.00 0.00 C ATOM 548 C ARG A 35 -6.836 -15.350 0.792 1.00 0.00 C ATOM 549 O ARG A 35 -6.950 -16.471 1.287 1.00 0.00 O ATOM 550 CB ARG A 35 -5.427 -15.264 -1.304 1.00 0.00 C ATOM 551 CG ARG A 35 -4.523 -14.102 -0.944 1.00 0.00 C ATOM 552 CD ARG A 35 -3.051 -14.492 -1.016 1.00 0.00 C ATOM 553 NE ARG A 35 -2.820 -15.808 -0.412 1.00 0.00 N ATOM 554 CZ ARG A 35 -3.091 -16.104 0.854 1.00 0.00 C ATOM 555 NH1 ARG A 35 -3.351 -15.147 1.728 1.00 0.00 N ATOM 556 NH2 ARG A 35 -3.039 -17.355 1.260 1.00 0.00 N ATOM 0 H ARG A 35 -6.846 -13.148 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.425 -15.977 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.968 -16.188 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.494 -15.334 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.713 -13.269 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.759 -13.755 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.726 -14.505 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.448 -13.743 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.427 -16.542 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.345 -14.171 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.558 -15.385 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.791 -18.095 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.247 -17.585 2.232 1.00 0.00 H new ATOM 570 N ILE A 36 -6.738 -14.240 1.526 1.00 0.00 N ATOM 571 CA ILE A 36 -6.757 -14.277 2.990 1.00 0.00 C ATOM 572 C ILE A 36 -8.040 -14.943 3.476 1.00 0.00 C ATOM 573 O ILE A 36 -8.008 -15.877 4.279 1.00 0.00 O ATOM 574 CB ILE A 36 -6.644 -12.860 3.603 1.00 0.00 C ATOM 575 CG1 ILE A 36 -5.245 -12.281 3.361 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.960 -12.884 5.094 1.00 0.00 C ATOM 577 CD1 ILE A 36 -4.185 -12.833 4.292 1.00 0.00 C ATOM 0 H ILE A 36 -6.645 -13.304 1.131 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.892 -14.854 3.316 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.376 -12.219 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.952 -12.483 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.286 -11.198 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.873 -11.876 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.976 -13.250 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.257 -13.543 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.223 -12.376 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.454 -12.607 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.114 -13.913 4.163 1.00 0.00 H new ATOM 589 N ILE A 37 -9.167 -14.478 2.945 1.00 0.00 N ATOM 590 CA ILE A 37 -10.469 -15.047 3.284 1.00 0.00 C ATOM 591 C ILE A 37 -10.537 -16.497 2.804 1.00 0.00 C ATOM 592 O ILE A 37 -11.059 -17.373 3.497 1.00 0.00 O ATOM 593 CB ILE A 37 -11.628 -14.243 2.650 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.681 -12.830 3.232 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.959 -14.951 2.867 1.00 0.00 C ATOM 596 CD1 ILE A 37 -12.094 -11.780 2.225 1.00 0.00 C ATOM 0 H ILE A 37 -9.206 -13.708 2.277 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.579 -15.003 4.367 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.445 -14.173 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.380 -12.816 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.700 -12.573 3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.760 -14.367 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.925 -15.939 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -13.146 -15.054 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.111 -10.802 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.382 -11.767 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.088 -12.013 1.843 1.00 0.00 H new ATOM 608 N PHE A 38 -9.978 -16.741 1.614 1.00 0.00 N ATOM 609 CA PHE A 38 -9.941 -18.078 1.028 1.00 0.00 C ATOM 610 C PHE A 38 -9.232 -19.075 1.952 1.00 0.00 C ATOM 611 O PHE A 38 -9.540 -20.266 1.937 1.00 0.00 O ATOM 612 CB PHE A 38 -9.246 -18.033 -0.336 1.00 0.00 C ATOM 613 CG PHE A 38 -10.147 -18.391 -1.482 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.486 -19.710 -1.727 1.00 0.00 C ATOM 615 CD2 PHE A 38 -10.656 -17.406 -2.314 1.00 0.00 C ATOM 616 CE1 PHE A 38 -11.315 -20.044 -2.781 1.00 0.00 C ATOM 617 CE2 PHE A 38 -11.485 -17.733 -3.370 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.815 -19.053 -3.604 1.00 0.00 C ATOM 0 H PHE A 38 -9.543 -16.021 1.037 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.968 -18.418 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.847 -17.032 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.397 -18.717 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.098 -20.488 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.402 -16.372 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.572 -21.078 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.874 -16.957 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.463 -19.311 -4.429 1.00 0.00 H new